*HEADER    CHLORIDE CHANNEL                        26-APR-99   1CKX              
*TITLE     CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR:                  
*TITLE    2 SOLUTION STRUCTURES OF PEPTIDES BASED ON THE PHE508 REGION,          
*TITLE    3 THE MOST COMMON SITE OF DISEASE-CAUSING DELTA-F508 MUTATION          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE                  
*COMPND   3 REGULATOR (CFTR);                                                    
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: P26 IN TRIFLUOROETHANOL;                                   
*COMPND   6 SYNONYM: P26_TFE;                                                    
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS BASED ON THE PHE508 REGION OF CF.                        
*KEYWDS    P26_TFE, CYSTIC FIBROSIS, PEPTIDES, NMR                               
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    M.A.MASSIAH, Y.H.KO, P.L.PEDERSEN, A.S.MILDVAN                        
*REVDAT   1   04-MAY-99 1CKX    0                                                
set message=off echo=off end
!cf_p26peptide in TFE  
! 43% TFE (deuterated), 57%H2O, pH=4.0
!       Strong=1.8-2.8, Medium=1.8-3.2, weak=1.8-5.0, 
!               1.0 added for methyls, 2.3A for aromatic.
!......................................................................!
!                      Cystic Fibrosis P25peptide                      !
!......................................................................!
! HELIX 
!.............................Helix 1 (NH-NHi+1)........................
assign (reid 3 and name hn   ) (resid 4 and name hn   ) 1.8 0 3.2  {}
assign (resid 4 and name hn   ) (resid 5 and name hn   ) 1.8 0 1.0  {}
assign (resid 5 and name hn   ) (resid 6 and name hn   ) 1.8 0 1.0  {}
assign (resid 6 and name hn   ) (resid 7 and name hn   ) 1.8 0 1.0  {}
assign (resid 7 and name hn   ) (resid 8 and name hn   ) 1.8 0 1.0  {}
assign (resid 8 and name hn   ) (resid 9 and name hn   ) 1.8 0 1.0  {}
assign (resid 9 and name hn   ) (resid 10 and name hn  ) 1.8 0 1.0  {}
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 1.8 0 1.0  {}
assign (resid 11 and name hn  ) (resid 12 and name hn  ) 1.8 0 1.0  {}
assign (resid 12 and name hn  ) (resid 13 and name hn  ) 1.8 0 1.0  {}
assign (resid 13 and name hn  ) (resid 14 and name hn  ) 1.8 0 1.0  {}
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.8 0 1.0  {}
assign (resid 15 and name hn  ) (resid 16 and name hn  ) 1.8 0 1.0  {}
assign (resid 16 and name hn  ) (resid 17 and name hn  ) 1.8 0 1.0  {}
assign (resid 17 and name hn  ) (resid 18 and name hn  ) 1.8 0 1.0  {}
assign (resid 18 and name hn  ) (resid 19 and name hn  ) 1.8 0 1.0  {}
assign (resid 19 and name hn  ) (resid 20 and name hn  ) 1.8 0 1.0  {}
assign (resid 20 and name hn  ) (resid 21 and name hn  ) 1.8 0 1.0  {}
assign (resid 21 and name hn  ) (resid 22 and name hn  ) 1.8 0 1.0  {}
assign (resid 22 and name hn  ) (resid 23 and name hn  ) 1.8 0 1.0  {}
assign (resid 23 and name hn  ) (resid 24 and name hn  ) 1.8 0 1.0  {}
assign (resid 24 and name hn  ) (resid 25 and name hn  ) 1.8 0 1.0  {}
!..........................Helix 1 (NH-NHi+2)..................................
assign (resid 3 and name hn   ) (resid 5 and name hn   ) 1.8 0 3.2  {}
assign (resid 5 and name hn   ) (resid 7 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name hn   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 7 and name hn   ) (resid 9 and name hn   ) 1.8 0 3.2  {}
assign (resid 8 and name hn   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 9 and name hn   ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 11 and name hn  ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name hn  ) (resid 14 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name hn  ) (resid 15 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name hn  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 16 and name hn  ) (resid 18 and name hn  ) 1.8 0 3.2  { }
assign (resid 18 and name hn  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 19 and name hn  ) (resid 21 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name hn  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 21 and name hn  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name hn  ) (resid 24 and name hn  ) 1.8 0 3.2  {}
assign (resid 23 and name hn  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.............................Helix 1 (NH-NHi+3).............................
assign (resid 5 and name hn   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name hn   ) (resid 9 and name hn  ) 1.8 0 3.2  {}
assign (resid 7 and name hn   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 8 and name hn   ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 9 and name hn   ) (resid 12 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name hn  ) (resid 16 and name hn  ) 1.8 0 3.2  {}
assign (resid 14 and name hn  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name hn  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 17 and name hn  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 18 and name hn  ) (resid 21 and name hn  ) 1.8 0 3.2  {}
assign (resid 19 and name hn  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name hn  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name hn  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.............................Helix 1 (Ha-NHi+1)........................
assign (resid 2 and name ha   ) (resid 3 and name hn   ) 1.8 0 1.0  {}
assign (resid 3 and name ha1  ) (resid 4 and name hn   ) 1.8 0 3.2  {}
assign (resid 3 and name ha2  ) (resid 4 and name hn   ) 1.8 0 3.2  {}
assign (resid 4 and name ha   ) (resid 5 and name hn   ) 1.8 0 3.2  {}
assign (resid 5 and name ha   ) (resid 6 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name ha   ) (resid 7 and name hn   ) 1.8 0 3.2  {}
assign (resid 7 and name ha   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 8 and name ha   ) (resid 9 and name hn   ) 1.8 0 3.2  {}
assign (resid 9 and name ha   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 10 and name ha  ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 11 and name ha  ) (resid 12 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name ha1 ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name ha2 ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name ha  ) (resid 14 and name hn  ) 1.8 0 2.5  {}
assign (resid 14 and name ha  ) (resid 15 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name ha  ) (resid 16 and name hn  ) 1.8 0 3.2  {m}
assign (resid 16 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.8 0 3.2  {}
assign (resid 19 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name ha  ) (resid 21 and name hn  ) 1.8 0 3.2  {m}
assign (resid 21 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 23 and name ha  ) (resid 24 and name hn  ) 1.8 0 3.2  {}
assign (resid 24 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
assign (resid 25 and name ha  ) (resid 26 and name hn  ) 1.8 0 3.2  { }
!.............................Helix 1 (Ha-NHi+2)................................
assign (resid 2 and name ha   ) (resid 4 and name hn   ) 1.8 0 3.2  {}
assign (resid 3 and name ha   ) (resid 5 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name ha   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 8 and name ha   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 10 and name ha  ) (resid 12 and name hn  ) 1.8 0 3.2  {}
assign (resid 11 and name ha  ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name ha  ) (resid 16 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 16 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 18 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name ha  ) (resid 24 and name hn  ) 1.8 0 3.2  {}
assign (resid 23 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.............................Helix 1 (Ha-NHi+3)................................
assign (resid 4 and name ha   ) (resid 7 and name hn   ) 1.8 0 3.2  {}
assign (resid 5 and name ha   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name ha   ) (resid 9 and name hn   ) 1.8 0 3.2  {}
assign (resid 7 and name ha   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 8 and name ha   ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 9 and name ha   ) (resid 12 and name hn  ) 1.8 0 3.2  {}
assign (resid 10 and name ha  ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 11 and name ha  ) (resid 14 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name ha  ) (resid 15 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name ha  ) (resid 16 and name hn  ) 1.8 0 3.2  {}
assign (resid 14 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 17 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 18 and name ha  ) (resid 21 and name hn  ) 1.8 0 3.2  {}
assign (resid 19 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.............................Helix 1 (Ha-NHi+4).............................
assign (resid 3 and name ha   ) (resid 7 and name hn   ) 1.8 0 3.2  {}
assign (resid 4 and name ha   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 5 and name ha   ) (resid 9 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name ha   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 8 and name ha   ) (resid 12 and name hn  ) 1.8 0 3.2  {}
assign (resid 9 and name ha   ) (resid 13 and name hn  ) 1.8 0 3.2  {}
assign (resid 10 and name ha  ) (resid 14 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name ha  ) (resid 16 and name hn  ) 1.8 0 3.2  {}
assign (resid 13 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 14 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 16 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {}
assign (resid 17 and name ha  ) (resid 21 and name hn  ) 1.8 0 3.2  {}
assign (resid 18 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name ha  ) (resid 24 and name hn  ) 1.8 0 3.2  {}
!.............................Helix 1 (Ha-Hbi+3).............................
assign (resid 4 and name hb1  ) (resid 1 and name ha   ) 1.8 0 1.5  {m}
assign (resid 4 and name hb2  ) (resid 1 and name ha   ) 1.8 0 1.5  {m}
assign (resid 5 and name hb1  ) (resid 2 and name ha   ) 1.8 0 1.5  {m}
assign (resid 5 and name hb2  ) (resid 2 and name ha   ) 1.8 0 1.5  {m}
assign (resid 6 and name hb   ) (resid 3 and name ha   ) 1.8 0 1.5  {m}
assign (resid 8 and name hb1  ) (resid 5 and name ha   ) 1.8 0 2.5  {}
assign (resid 8 and name hb2  ) (resid 5 and name ha   ) 1.8 0 2.5  {}
assign (resid 10 and name hb  ) (resid 7 and name ha   ) 1.8 0 1.5  {m}
assign (resid 11 and name hb* ) (resid 8 and name ha   ) 1.8 0 2.5  {}
assign (resid 12 and name hb1 ) (resid 9 and name ha   ) 1.8 0 1.5  {m}
assign (resid 12 and name hb2 ) (resid 9 and name ha   ) 1.8 0 1.5  {m}
assign (resid 13 and name hb* ) (resid 10 and name ha  ) 1.8 0 2.5  {}
assign (resid 14 and name hb1 ) (resid 11 and name ha  ) 1.8 0 1.5  {m}
assign (resid 14 and name hb2 ) (resid 11 and name ha  ) 1.8 0 1.5  {m}
assign (resid 15 and name hb* ) (resid 12 and name ha  ) 1.8 0 2.5  {m}
assign (resid 17 and name hb1 ) (resid 14 and name ha  ) 1.8 0 1.5  {m}
assign (resid 17 and name hb2 ) (resid 14 and name ha  ) 1.8 0 1.5  {m}
assign (resid 18 and name hb* ) (resid 15 and name ha  ) 1.8 0 3.2  {}
assign (resid 22 and name hb1 ) (resid 19 and name ha  ) 1.8 0 2.5  {}
assign (resid 22 and name hb2 ) (resid 19 and name ha  ) 1.8 0 2.5  {}
!......................................................................
!Met1
assign (resid 1 and name ha ) (resid 1 and name hb1  ) 1.8 0 3.2  {}
assign (resid 1 and name ha ) (resid 1 and name hb2  ) 1.8 0 3.2  {}
assign (resid 1 and name ha ) (resid 1 and name hg1  ) 1.8 0 1.5  {}
assign (resid 1 and name ha ) (resid 1 and name hg2  ) 1.8 0 1.5  {}
!Pro2
assign (resid 2 and name ha ) (resid 2 and name hb1  ) 1.8 0 1.5  {m}
assign (resid 2 and name ha ) (resid 2 and name hb2  ) 1.8 0 3.2  {}
assign (resid 2 and name ha ) (resid 2 and name hg1  ) 1.8 0 3.2  {m}
assign (resid 2 and name ha ) (resid 2 and name hg2  ) 1.8 0 3.2  {m}
assign (resid 1 and name ha ) (resid 2 and name hd1  ) 1.8 0 1.0  {}
assign (resid 1 and name ha ) (resid 2 and name hd2  ) 1.8 0 1.0  {}
assign (resid 1 and name hb1) (resid 2 and name hd1  ) 1.8 0 3.2  {}
assign (resid 1 and name hb2) (resid 2 and name hd2  ) 1.8 0 3.2  {}
!Gly3
assign (resid 3 and name hn ) (resid 3 and name ha1  ) 1.8 0 1.5  {m}
assign (resid 3 and name hn ) (resid 3 and name ha2  ) 1.8 0 1.5  {m}
!Thr4
assign (resid 4 and name hn ) (resid 4 and name ha   ) 1.8 0 3.2  {}
assign (resid 4 and name hn ) (resid 4 and name hg2* ) 1.8 0 2.0  {}
assign (resid 4 and name hn ) (resid 4 and name hb   ) 1.8 0 1.0  {}
assign (resid 4 and name ha ) (resid 4 and name hg2* ) 1.8 0 2.0  {}
assign (resid 4 and name ha ) (resid 4 and name hb   ) 1.8 0 3.2  {}
assign (resid 4 and name hb ) (resid 2 and name ha   ) 1.8 0 2.5  {}
!Ile5
assign (resid 5 and name hn ) (resid 5 and name ha   ) 1.8 0 3.2  {}
assign (resid 5 and name hn ) (resid 5 and name hb   ) 1.8 0 1.0  {}
assign (resid 5 and name hn ) (resid 5 and name hg11 ) 1.8 0 2.0  {, }
assign (resid 5 and name hn ) (resid 5 and name hg12 ) 1.8 0 3.2  {}
assign (resid 5 and name hn ) (resid 5 and name hg2*  ) 1.8 0 4.2  {}
assign (resid 5 and name hn ) (resid 5 and name hd*   ) 1.8 0 4.2  {}
assign (resid 5 and name ha ) (resid 5 and name hb   ) 1.8 0 2.0  {m}
assign (resid 5 and name ha ) (resid 5 and name hg11 ) 1.8 0 2.0  {m, }
assign (resid 5 and name ha ) (resid 5 and name hg12 ) 1.8 0 3.2  {m}
assign (resid 5 and name hn ) (resid 4 and name hb   ) 1.8 0 1.5  {}
assign (resid 5 and name hn ) (resid 4 and name hg2*  ) 1.8 0 2.5  {}
!Ly6
assign (resid 6 and name hn ) (resid 6 and name ha   ) 1.8 0 3.2  {}
assign (resid 6 and name hn ) (resid 6 and name hb*  ) 1.8 0 2.0  {m,}
assign (resid 6 and name hn ) (resid 6 and name hg*  ) 1.8 0 3.7  {, }
assign (resid 6 and name hn ) (resid 6 and name hd*  ) 1.8 0 3.7  {}
assign (resid 6 and name ha ) (resid 6 and name hb*  ) 1.8 0 3.7  {,}
assign (resid 6 and name ha ) (resid 6 and name hg*  ) 1.8 0 2.0  {m}
assign (resid 5 and name hg11) (resid 6 and name hn ) 1.8 0 3.2  {}
assign (resid 5 and name hg12) (resid 6 and name hn ) 1.8 0 3.2  {}
assign (resid 5 and name hg2*) (resid 6 and name hn ) 1.8 0 2.5  {m, }
assign (resid 5 and name hd* ) (resid 6 and name hn ) 1.8 0 4.2  {}
!Glu7
assign (resid 7 and name hn ) (resid 7 and name ha   ) 1.8 0 3.2  {}
assign (resid 7 and name hn ) (resid 7 and name hb*  ) 1.8 0 3.7  {,}
assign (resid 7 and name hn ) (resid 7 and name hg1  ) 1.8 0 1.5  {}
assign (resid 7 and name hn ) (resid 7 and name hg2  ) 1.8 0 1.5  {}
assign (resid 7 and name ha ) (resid 7 and name hb*  ) 1.8 0 2.0  {m}
assign (resid 7 and name ha ) (resid 7 and name hg1  ) 1.8 0 3.2  {}
assign (resid 7 and name ha ) (resid 7 and name hg2  ) 1.8 0 3.2  {}
assign (resid 7 and name hn ) (resid 6 and name hb*  ) 1.8 0 2.0  {m}
assign (resid 7 and name hn ) (resid 6 and name hg*  ) 1.8 0 3.7  {}
assign (resid 7 and name hn ) (resid 6 and name hd*  ) 1.8 0 3.7  {}
assign (resid 7 and name hn ) (resid 4 and name hg2*  ) 1.8 0 4.2  {}
!An8
assign (resid 8 and name hn ) (resid 8 and name ha   ) 1.8 0 3.2  {}
assign (resid 8 and name hn ) (resid 8 and name hb1  ) 1.8 0 1.0  {}
assign (resid 8 and name hn ) (resid 8 and name hb2  ) 1.8 0 1.5  {}
assign (resid 8 and name ha ) (resid 8 and name hb1  ) 1.8 0 1.0  {}
assign (resid 8 and name ha ) (resid 8 and name hb2  ) 1.8 0 1.5  {}
assign (resid 8 and name hn ) (resid 7 and name hb*  ) 1.8 0 3.7  {}
assign (resid 8 and name hn ) (resid 7 and name hg1  ) 1.8 0 2.5  {}
assign (resid 8 and name hn ) (resid 7 and name hg2  ) 1.8 0 2.5  {}
!Ile9
assign (resid 9 and name hn ) (resid 9 and name ha   ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 9 and name hb   ) 1.8 0 1.5  {}
assign (resid 9 and name hn ) (resid 9 and name hg11 ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 9 and name hg12 ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 9 and name hg2*  ) 1.8 0 4.2  {}
assign (resid 9 and name hn ) (resid 9 and name hd*   ) 1.8 0 4.2  {}
assign (resid 9 and name ha ) (resid 9 and name hb   ) 1.8 0 3.2  {}
assign (resid 9 and name ha ) (resid 9 and name hg11 ) 1.8 0 2.0  {m, }
assign (resid 9 and name ha ) (resid 9 and name hg12 ) 1.8 0 2.0  {m}
assign (resid 9 and name ha ) (resid 9 and name hd*   ) 1.8 0 2.5  {m}
assign (resid 9 and name ha ) (resid 9 and name hg2*  ) 1.8 0 2.5  {m}
assign (resid 9 and name hn ) (resid 8 and name hb1  ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 8 and name hb2  ) 1.8 0 3.2  {}
!Ile10
assign (resid 10 and name hn ) (resid 10 and name ha ) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 10 and name hb ) 1.8 0 1.5  {}
assign (resid 10 and name hn ) (resid 10 and name hg11) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 10 and name hg12) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 10 and name hg2*) 1.8 0 4.2  {}
assign (resid 10 and name hn ) (resid 10 and name hd* ) 1.8 0 4.2  {}
assign (resid 10 and name ha ) (resid 10 and name hb ) 1.8 0 3.2  {}
assign (resid 10 and name ha ) (resid 10 and name hg11) 1.8 0 2.0  {m}
assign (resid 10 and name ha ) (resid 10 and name hg12) 1.8 0 2.0  {m}
assign (resid 10 and name ha ) (resid 10 and name hd* ) 1.8 0 2.5  {m}
assign (resid 10 and name ha ) (resid 10 and name hg2*) 1.8 0 2.5  {m}
assign (resid 10 and name hn ) (resid 9 and name hb  ) 1.8 0 1.5  {m}
assign (resid 10 and name hn ) (resid 9 and name hg11) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 9 and name hg12) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 9 and name hd*  ) 1.8 0 4.2  {}
assign (resid 10 and name hn ) (resid 9 and name hg2* ) 1.8 0 4.2  {}
assign (resid 10 and name hd*) (resid 13 and name hg1* ) 1.8 0 3.0  {}
!Phe11
assign (resid 11 and name hn ) (resid 11 and name ha ) 1.8 0 3.2  {}
assign (resid 11 and name hn ) (resid 11 and name hb1) 1.8 0 1.0  {}
assign (resid 11 and name hn ) (resid 11 and name hb2) 1.8 0 1.0  {}
assign (resid 11 and name hd*) (resid 10 and name hn ) 1.8 0 3.8  {2.3+}
assign (resid 11 and name ha ) (resid 11 and name hb1) 1.8 0 3.2  {}
assign (resid 11 and name ha ) (resid 11 and name hb2) 1.8 0 3.2  {}
assign (resid 11 and name ha ) (resid 11 and name hd*) 1.8 0 3.8  {}
assign (resid 11 and name hb1 ) (resid 11 and name hd*) 1.8 0 3.3  {}
assign (resid 11 and name hb2 ) (resid 11 and name hd*) 1.8 0 3.3  {}
assign (resid 11 and name hn ) (resid 10 and name hb ) 1.8 0 1.5  {m}
assign (resid 11 and name hn ) (resid 10 and name hg11 ) 1.8 0 3.2  {m}
assign (resid 11 and name hn ) (resid 10 and name hg12 ) 1.8 0 3.2  {m}
assign (resid 11 and name hn ) (resid 10 and name hg2* ) 1.8 0 4.2  {m}
assign (resid 11 and name hn ) (resid 10 and name hd*  ) 1.8 0 4.2  {m}
assign (resid 11 and name ha ) (resid 10 and name hd* ) 1.8 0 3.5  {m}
assign (resid 11 and name hd*) (resid 10 and name hn  ) 1.8 0 5.5  {2.3+}
assign (resid 11 and name hd*) (resid 12 and name ha1 ) 1.8 0 5.5  {}
assign (resid 11 and name hd*) (resid 12 and name ha2 ) 1.8 0 5.5  {}
assign (resid 11 and name hd*) (resid 7 and name hb* ) 1.8 0 6.0  {}
assign (resid 11 and name hd*) (resid 10 and name hd* ) 1.8 0 6.5  {}
assign (resid 11 and name hd*) (resid 15 and name hd* ) 1.8 0 5.5  {}
!Gly12
assign (resid 12 and name hn ) (resid 12 and name ha1  ) 1.8 0 1.5  {m}
assign (resid 12 and name hn ) (resid 12 and name ha2  ) 1.8 0 1.5  {m}
assign (resid 12 and name hn ) (resid 10 and name hd*  ) 1.8 0 3.8  {2.3+}
!Val13
assign (resid 13 and name hn ) (resid 13 and name ha ) 1.8 0 3.2  {}
assign (resid 13 and name hn ) (resid 13 and name hb ) 1.8 0 1.0  {}
assign (resid 13 and name hn ) (resid 13 and name hg2*) 1.8 0 2.5  {}
assign (resid 13 and name hn ) (resid 13 and name hg1*) 1.8 0 4.2  {}
assign (resid 13 and name ha ) (resid 13 and name hb  ) 1.8 0 3.2  {}
assign (resid 13 and name ha ) (resid 13 and name hg2* ) 1.8 0 2.5  {}
assign (resid 13 and name ha ) (resid 13 and name hg1* ) 1.8 0 4.2  {}
assign (resid 13 and name hn ) (resid 10 and name hg2* ) 1.8 0 4.2  {m}
assign (resid 13 and name hn ) (resid 10 and name hd*  ) 1.8 0 4.2  {m}
assign (resid 13 and name hg1*) (resid 10 and name ha  ) 1.8 0 3.0  {m}
assign (resid 13 and name hg2*) (resid 10 and name ha  ) 1.8 0 4.2  {m}
!er14
assign (resid 14 and name hn ) (resid 14 and name ha  ) 1.8 0 3.2  {}
assign (resid 14 and name hn ) (resid 14 and name hb1 ) 1.8 0 1.5  {}
assign (resid 14 and name hn ) (resid 14 and name hb2 ) 1.8 0 3.2  {}
assign (resid 14 and name ha ) (resid 14 and name hb1 ) 1.8 0 3.2  {}
assign (resid 14 and name ha ) (resid 14 and name hb2 ) 1.8 0 3.2  {}
assign (resid 14 and name hn ) (resid 13 and name hb   ) 1.8 0 1.5  {}
assign (resid 14 and name hn ) (resid 13 and name hg1* ) 1.8 0 4.2  {}
assign (resid 14 and name hn ) (resid 13 and name hg2* ) 1.8 0 4.2  {}
!Tyr15
assign (resid 15 and name hn ) (resid 15 and name ha  ) 1.8 0 3.2  {}
assign (resid 15 and name hn ) (resid 15 and name hb1 ) 1.8 0 1.5  {}
assign (resid 15 and name hn ) (resid 15 and name hb2 ) 1.8 0 1.5  {}
assign (resid 15 and name hn ) (resid 15 and name hd* ) 1.8 0 3.8  {2.3+}
assign (resid 15 and name ha ) (resid 15 and name hb1 ) 1.8 0 1.5  {}
assign (resid 15 and name ha ) (resid 15 and name hb2 ) 1.8 0 1.5  {}
assign (resid 15 and name hd*) (resid 15 and name ha ) 1.8 0 3.3  {, 1.0+2.3}
assign (resid 15 and name hd*) (resid 15 and name hb1 ) 1.8 0 3.3  { 1.0+2.3}
assign (resid 15 and name hd*) (resid 15 and name hb2 ) 1.8 0 3.3  { 1.0+2.3}
assign (resid 15 and name hn ) (resid 14 and name hb1 ) 1.8 0 1.5  {}
assign (resid 15 and name hn ) (resid 14 and name hb2 ) 1.8 0 3.2  {}
assign (resid 15 and name hd*) (resid 12 and name ha1 ) 1.8 0 5.5  {, 3.2+2.3}
assign (resid 15 and name hd*) (resid 12 and name ha2 ) 1.8 0 5.5  {, 3.2+2.3}
assign (resid 15 and name he*) (resid 19 and name hb* ) 1.8 0 4.3  {m, 2.0+2.3}
assign (resid 15 and name he*) (resid 19 and name hg1 ) 1.8 0 3.8  {m, 1.5+2.3}
assign (resid 15 and name he*) (resid 19 and name hg2 ) 1.8 0 3.8  {m, 1.5+2.3}
assign (resid 15 and name hd*) (resid 18 and name hd* ) 1.8 0 5.5  {, 1+2.3+2.3}
!Ap16
assign (resid 16 and name hn ) (resid 16 and name ha  ) 1.8 0 3.2  {}
assign (resid 16 and name hn ) (resid 16 and name hb* ) 1.8 0 1.5  {}
assign (resid 16 and name ha ) (resid 16 and name hb* ) 1.8 0 3.7  {}
assign (resid 16 and name hn ) (resid 15 and name hb1 ) 1.8 0 1.5  {}
assign (resid 16 and name hn ) (resid 15 and name hb2 ) 1.8 0 1.5  {}
assign (resid 16 and name hn ) (resid 15 and name hd* ) 1.8 0 3.8  {2.3+}
assign (resid 16 and name ha ) (resid 15 and name hd* ) 1.8 0 3.8  {1.5+2.3}
assign (resid 16 and name ha ) (resid 15 and name he* ) 1.8 0 5.5  {3.2+2.3}
!Glu17
assign (resid 17 and name hn ) (resid 17 and name ha  ) 1.8 0 3.2  {}
assign (resid 17 and name hn ) (resid 17 and name hb1 ) 1.8 0 1.5  {}
assign (resid 17 and name hn ) (resid 17 and name hb2 ) 1.8 0 2.0  {}
assign (resid 17 and name hn ) (resid 17 and name hg1 ) 1.8 0 3.7  {}
assign (resid 17 and name hn ) (resid 17 and name hg2 ) 1.8 0 3.7  {}
assign (resid 17 and name ha ) (resid 17 and name hb1 ) 1.8 0 3.7  {}
assign (resid 17 and name ha ) (resid 17 and name hb2 ) 1.8 0 3.7  {}
assign (resid 17 and name ha ) (resid 17 and name hg1 ) 1.8 0 2.0  {}
assign (resid 17 and name ha ) (resid 17 and name hg2 ) 1.8 0 2.0  {}
assign (resid 17 and name hn ) (resid 16 and name hb* ) 1.8 0 2.0  {}
!Tyr18
assign (resid 18 and name hn ) (resid 18 and name ha  ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 18 and name hb* ) 1.8 0 1.5  {}
assign (resid 18 and name ha ) (resid 18 and name hb* ) 1.8 0 2.0  {}
assign (resid 18 and name hn ) (resid 17 and name hb1 ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 17 and name hb2 ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 17 and name hg1 ) 1.8 0 3.7  {}
assign (resid 18 and name hn ) (resid 17 and name hg2 ) 1.8 0 3.7  {}
assign (resid 18 and name hn ) (resid 18 and name hd* ) 1.8 0 3.8  {2.3+}
assign (resid 18 and name ha ) (resid 18 and name hd* ) 1.8 0 3.3  {, 1.0+2.3}
assign (resid 18 and name hb*) (resid 18 and name hd* ) 1.8 0 3.8  {, 1.5+2.3}
assign (resid 18 and name hb*) (resid 18 and name he* ) 1.8 0 6.0  {, 3.7+2.3}
!Arg19
assign (resid 19 and name hn ) (resid 19 and name ha  ) 1.8 0 3.2  {}
assign (resid 19 and name hn ) (resid 19 and name hb* ) 1.8 0 1.5  {}
assign (resid 19 and name hn ) (resid 19 and name hg1 ) 1.8 0 3.2  {}
assign (resid 19 and name hn ) (resid 19 and name hg2 ) 1.8 0 3.2  {}
assign (resid 19 and name ha ) (resid 19 and name hb* ) 1.8 0 3.2  {}
assign (resid 19 and name ha ) (resid 19 and name hg1 ) 1.8 0 1.5  {}
assign (resid 19 and name ha ) (resid 19 and name hg2 ) 1.8 0 1.5  {}
assign (resid 19 and name hn ) (resid 18 and name hb* ) 1.8 0 1.5  {}
assign (resid 19 and name hn ) (resid 18 and name hd* ) 1.8 0 3.8  {2.3+}
assign (resid 19 and name ha ) (resid 18 and name hd* ) 1.8 0 5.5  {3.2+2.3}
assign (resid 19 and name hb*) (resid 18 and name hd* ) 1.8 0 6.0  {3.2+2.3}
assign (resid 19 and name hg1) (resid 18 and name hd* ) 1.8 0 5.5  {3.2+2.3}
assign (resid 19 and name hg2) (resid 18 and name hd* ) 1.8 0 5.5  {3.2+2.3}
!Tyr20
assign (resid 20 and name hn ) (resid 20 and name ha  ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 20 and name hb1 ) 1.8 0 1.0  {R,}
assign (resid 20 and name hn ) (resid 20 and name hb2 ) 1.8 0 1.5  {}
assign (resid 20 and name ha ) (resid 20 and name hb1 ) 1.8 0 1.5  {}
assign (resid 20 and name ha ) (resid 20 and name hb2 ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 19 and name hb* ) 1.8 0 2.0  {}
assign (resid 20 and name hn ) (resid 19 and name hg1 ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 19 and name hg2 ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 20 and name hd* ) 1.8 0 3.8  {2.3+}
assign (resid 20 and name ha ) (resid 20 and name hd* ) 1.8 0 3.5  {, 1.0+2.3}
assign (resid 20 and name hb1) (resid 20 and name hd*) 1.8 0 3.3  {m, 1.0+2.3}
assign (resid 20 and name hb2) (resid 20 and name hd*) 1.8 0 3.3  {m, 1.0+2.3}
assign (resid 20 and name hd*) (resid 17 and name ha  ) 1.8 0 3.8  {2.3}
assign (resid 20 and name hd*) (resid 21 and name ha  ) 1.8 0 5.5  {}
assign (resid 20 and name hd*) (resid 23 and name hg1*) 1.8 0 6.5  {4.2+2.3}
assign (resid 20 and name hd*) (resid 23 and name hg2*) 1.8 0 6.5  {4.2+2.3}
assign (resid 20 and name hd*) (resid 24 and name hd* ) 1.8 0 6.5  {4.2+2.3}
assign (resid 20 and name hd*) (resid 24 and name hg2*) 1.8 0 6.5  {4.2+2.3}
assign (resid 20 and name he*) (resid 24 and name hd* ) 1.8 0 4.5  {2.5+2.3}
assign (resid 20 and name he*) (resid 24 and name hg2*) 1.8 0 4.5  {2.5+2.3}
assign (resid 20 and name he*) (resid 24 and name hg11) 1.8 0 6.0  {3.7+2.3}
!Arg21
assign (resid 21 and name hn ) (resid 21 and name ha  ) 1.8 0 3.2  {}
assign (resid 21 and name hn ) (resid 21 and name hb* ) 1.8 0 1.5  {}
assign (resid 21 and name hn ) (resid 21 and name hg1 ) 1.8 0 3.2  {m}
assign (resid 21 and name hn ) (resid 21 and name hg2 ) 1.8 0 3.2  {m}
assign (resid 21 and name ha ) (resid 21 and name hb* ) 1.8 0 3.7  {}
assign (resid 21 and name ha ) (resid 21 and name hg1 ) 1.8 0 1.5  {m}
assign (resid 21 and name ha ) (resid 21 and name hg2 ) 1.8 0 1.5  {m}
assign (resid 21 and name hn ) (resid 20 and name hd* ) 1.8 0 5.8  {2.3}
assign (resid 21 and name hb*) (resid 20 and name hd* ) 1.8 0 6.0  {2.3}
assign (resid 21 and name hb*) (resid 20 and name he* ) 1.8 0 6.0  {2.3}
assign (resid 21 and name hg1) (resid 20 and name hd* ) 1.8 0 5.5  {2.3}
assign (resid 21 and name hg2) (resid 20 and name hd* ) 1.8 0 5.5  {2.3}
assign (resid 21 and name hn ) (resid 20 and name hb1 ) 1.8 0 3.2  {}
assign (resid 21 and name hn ) (resid 20 and name hb2 ) 1.8 0 3.2  {}
!er22
assign (resid 22 and name hn ) (resid 22 and name ha  ) 1.8 0 3.2  {}
assign (resid 22 and name hn ) (resid 22 and name hb1 ) 1.8 0 1.0  {}
assign (resid 22 and name hn ) (resid 22 and name hb2 ) 1.8 0 1.5  {}
assign (resid 22 and name ha ) (resid 22 and name hb1 ) 1.8 0 1.5  {}
assign (resid 22 and name ha ) (resid 22 and name hb2 ) 1.8 0 3.2  {}
assign (resid 22 and name hn ) (resid 21 and name hb* ) 1.8 0 2.5  {}
assign (resid 22 and name hn ) (resid 21 and name hg1 ) 1.8 0 3.2  {}
assign (resid 22 and name hn ) (resid 21 and name hg2 ) 1.8 0 3.2  {}
!Val23
assign (resid 23 and name hn ) (resid 23 and name ha ) 1.8 0 3.2  {}
assign (resid 23 and name hn ) (resid 23 and name hb ) 1.8 0 1.0  {}
assign (resid 23 and name hn ) (resid 23 and name hg1*) 1.8 0 4.2  {}
assign (resid 23 and name hn ) (resid 23 and name hg2*) 1.8 0 4.2 {}
assign (resid 23 and name ha ) (resid 23 and name hb  ) 1.8 0 3.2  {}
assign (resid 23 and name ha ) (resid 23 and name hg1* ) 1.8 0 2.0  {}
assign (resid 23 and name ha ) (resid 23 and name hg2* ) 1.8 0 2.0  {}
assign (resid 23 and name hn ) (resid 22 and name hb1 ) 1.8 0 3.7  {}
assign (resid 23 and name hn ) (resid 22 and name hb2 ) 1.8 0 3.7  {}
!Ile24
assign (resid 24 and name hn ) (resid 24 and name ha ) 1.8 0 3.2  {}
assign (resid 24 and name hn ) (resid 24 and name hb ) 1.8 0 1.5  {}
assign (resid 24 and name hn ) (resid 24 and name hg11) 1.8 0 3.2  {}
assign (resid 24 and name hn ) (resid 24 and name hg12) 1.8 0 3.2  {}
assign (resid 24 and name hn ) (resid 24 and name hg2*) 1.8 0 4.2  {}
assign (resid 24 and name hn ) (resid 24 and name hd* ) 1.8 0 4.2  {}
assign (resid 24 and name ha ) (resid 24 and name hb ) 1.8 0 3.2  {}
assign (resid 24 and name ha ) (resid 24 and name hg11) 1.8 0 2.0  {m, }
assign (resid 24 and name ha ) (resid 24 and name hg12) 1.8 0 2.0  {m}
assign (resid 24 and name ha ) (resid 24 and name hd* ) 1.8 0 2.5  {m}
assign (resid 24 and name ha ) (resid 24 and name hg2*) 1.8 0 2.5  {m}
assign (resid 24 and name hn ) (resid 23 and name hb ) 1.8 0 2.0  {}
assign (resid 24 and name hn ) (resid 23 and name hg1*) 1.8 0 3.2  {}
assign (resid 24 and name hn ) (resid 23 and name hg2*) 1.8 0 3.2  {}
assign (resid 24 and name hd*) (resid 23 and name hg1*) 1.8 0 3.0  {}
assign (resid 24 and name hd*) (resid 23 and name hg2*) 1.8 0 3.0  {}
assign (resid 24 and name hg11) (resid 23 and name hg1*) 1.8 0 4.7  {}
assign (resid 24 and name hd11) (resid 23 and name hg2*) 1.8 0 4.7  {}
!Ly25
assign (resid 25 and name hn ) (resid 25 and name ha  ) 1.8 0 3.2  {}
assign (resid 25 and name hn ) (resid 25 and name hb1 ) 1.8 0 1.5  {}
assign (resid 25 and name hn ) (resid 25 and name hb2 ) 1.8 0 1.5  {}
assign (resid 25 and name hn ) (resid 25 and name hg* ) 1.8 0 3.7  {}
assign (resid 25 and name ha ) (resid 25 and name hb1 ) 1.8 0 3.2  {}
assign (resid 25 and name ha ) (resid 25 and name hb2 ) 1.8 0 3.2  {}
assign (resid 25 and name ha ) (resid 25 and name hg* ) 1.8 0 2.0  {}
assign (resid 25 and name hn ) (resid 24 and name hb ) 1.8 0 3.2  {}
assign (resid 25 and name hn ) (resid 24 and name hg1*) 1.8 0 3.7  {}
assign (resid 25 and name hn ) (resid 24 and name hg2*) 1.8 0 4.2  {}
!Ala26
assign (resid 26 and name hn ) (resid 26 and name ha  ) 1.8 0 3.2  {}
assign (resid 26 and name hn ) (resid 26 and name hb* ) 1.8 0 2.0  {}
assign (resid 26 and name ha ) (resid 26 and name hb* ) 1.8 0 2.0  {}
assign (resid 26 and name hn ) (resid 25 and name hb1 ) 1.8 0 3.2  {}
assign (resid 26 and name hn ) (resid 25 and name hb2 ) 1.8 0 3.2  {}
assign (resid 26 and name hn ) (resid 25 and name hg* ) 1.8 0 3.7  {}
et meage=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  20.374   4.764  -3.684
    2   2H    MET   1          2H        MET   1  18.933   5.331  -4.384
    3   3H    MET   1          3H        MET   1  20.202   6.411  -4.051
    4    HA   MET   1           HA       MET   1  19.876   6.263  -1.729
    5   1HB   MET   1          1HB       MET   1  17.865   6.956  -3.649
    6   2HB   MET   1          2HB       MET   1  17.062   6.319  -2.213
    7   1HG   MET   1          1HG       MET   1  19.127   7.971  -1.245
    8   2HG   MET   1          2HG       MET   1  18.390   8.867  -2.574
    9   1HE   MET   1          1HE       MET   1  18.517   8.183   0.875
   10   2HE   MET   1          2HE       MET   1  18.256   9.887   0.512
   11   3HE   MET   1          3HE       MET   1  17.099   9.022   1.520
   12    HA   PRO   2           HA       PRO   2  18.834   2.041  -0.640
   13   1HB   PRO   2          1HB       PRO   2  19.565   2.260   1.989
   14   2HB   PRO   2          2HB       PRO   2  20.739   2.037   0.676
   15   1HG   PRO   2          1HG       PRO   2  19.984   4.512   2.140
   16   2HG   PRO   2          2HG       PRO   2  21.567   3.990   1.545
   17   1HD   PRO   2          1HD       PRO   2  20.002   5.851   0.289
   18   2HD   PRO   2          2HD       PRO   2  21.206   4.843  -0.543
   19    H    GLY   3           H        GLY   3  16.524   3.009  -0.990
   20   1HA   GLY   3          1HA       GLY   3  15.172   3.167   1.674
   21   2HA   GLY   3          2HA       GLY   3  14.683   4.207   0.334
   22    H    THR   4           H        THR   4  15.682   0.927  -0.283
   23    HA   THR   4           HA       THR   4  13.343   0.260  -1.729
   24    HB   THR   4           HB       THR   4  15.767  -0.908  -1.376
   25    HG1  THR   4           HG1      THR   4  14.531  -1.343  -3.130
   26   1HG2  THR   4          1HG2      THR   4  13.798  -2.585   0.203
   27   2HG2  THR   4          2HG2      THR   4  15.350  -3.175  -0.390
   28   3HG2  THR   4          3HG2      THR   4  15.299  -1.872   0.795
   29    H    ILE   5           H        ILE   5  14.242  -0.580   1.612
   30    HA   ILE   5           HA       ILE   5  11.761  -1.909   2.209
   31    HB   ILE   5           HB       ILE   5  13.813  -0.613   4.023
   32   1HG1  ILE   5          1HG1      ILE   5  14.724  -2.468   2.750
   33   2HG1  ILE   5          2HG1      ILE   5  14.437  -3.023   4.400
   34   1HG2  ILE   5          1HG2      ILE   5  11.174  -1.602   4.592
   35   2HG2  ILE   5          2HG2      ILE   5  12.363  -2.679   5.326
   36   3HG2  ILE   5          3HG2      ILE   5  12.372  -0.959   5.715
   37   1HD1  ILE   5          1HD1      ILE   5  12.014  -3.513   3.145
   38   2HD1  ILE   5          2HD1      ILE   5  13.198  -3.911   1.899
   39   3HD1  ILE   5          3HD1      ILE   5  13.262  -4.717   3.467
   40    H    LYS   6           H        LYS   6  12.909   1.410   2.892
   41    HA   LYS   6           HA       LYS   6  10.762   2.422   4.329
   42   1HB   LYS   6          1HB       LYS   6  12.649   3.845   3.788
   43   2HB   LYS   6          2HB       LYS   6  12.287   3.743   2.065
   44   1HG   LYS   6          1HG       LYS   6  11.406   5.843   2.799
   45   2HG   LYS   6          2HG       LYS   6  10.018   4.771   2.611
   46   1HD   LYS   6          1HD       LYS   6  10.440   4.211   5.135
   47   2HD   LYS   6          2HD       LYS   6  11.334   5.732   5.138
   48   1HE   LYS   6          1HE       LYS   6   9.379   6.968   4.420
   49   2HE   LYS   6          2HE       LYS   6   8.470   5.466   4.155
   50   1HZ   LYS   6          1HZ       LYS   6   9.733   5.910   6.767
   51   2HZ   LYS   6          2HZ       LYS   6   8.291   6.739   6.423
   52   3HZ   LYS   6          3HZ       LYS   6   8.323   5.043   6.385
   53    H    GLU   7           H        GLU   7  10.903   1.686   0.887
   54    HA   GLU   7           HA       GLU   7   8.373   2.890   0.214
   55   1HB   GLU   7          1HB       GLU   7   9.629   0.487  -1.137
   56   2HB   GLU   7          2HB       GLU   7   8.536   1.674  -1.847
   57   1HG   GLU   7          1HG       GLU   7  10.636   3.204  -0.829
   58   2HG   GLU   7          2HG       GLU   7  11.430   1.796  -1.532
   59    H    ASN   8           H        ASN   8   9.314  -0.451   1.055
   60    HA   ASN   8           HA       ASN   8   6.757  -1.628   0.878
   61   1HB   ASN   8          1HB       ASN   8   8.571  -3.098   1.203
   62   2HB   ASN   8          2HB       ASN   8   9.133  -2.204   2.607
   63   1HD2  ASN   8          2HD2      ASN   8   5.903  -3.557   1.732
   64   2HD2  ASN   8          1HD2      ASN   8   5.713  -4.423   3.181
   65    H    ILE   9           H        ILE   9   7.943   0.720   3.079
   66    HA   ILE   9           HA       ILE   9   5.911   0.115   5.137
   67    HB   ILE   9           HB       ILE   9   7.611   2.594   5.091
   68   1HG1  ILE   9          1HG1      ILE   9   9.073   0.640   4.550
   69   2HG1  ILE   9          2HG1      ILE   9   9.431   1.345   6.119
   70   1HG2  ILE   9          1HG2      ILE   9   5.758   1.939   6.823
   71   2HG2  ILE   9          2HG2      ILE   9   6.973   0.816   7.434
   72   3HG2  ILE   9          3HG2      ILE   9   7.304   2.548   7.415
   73   1HD1  ILE   9          1HD1      ILE   9   7.392  -0.611   6.497
   74   2HD1  ILE   9          2HD1      ILE   9   8.671  -1.345   5.531
   75   3HD1  ILE   9          3HD1      ILE   9   9.048  -0.639   7.103
   76    H    ILE  10           H        ILE  10   6.191   1.924   2.263
   77    HA   ILE  10           HA       ILE  10   3.826   3.600   3.045
   78    HB   ILE  10           HB       ILE  10   6.214   4.537   2.170
   79   1HG1  ILE  10          1HG1      ILE  10   4.396   5.948   2.939
   80   2HG1  ILE  10          2HG1      ILE  10   4.932   6.548   1.369
   81   1HG2  ILE  10          1HG2      ILE  10   5.955   3.279   0.003
   82   2HG2  ILE  10          2HG2      ILE  10   4.576   4.315  -0.363
   83   3HG2  ILE  10          3HG2      ILE  10   6.185   5.017  -0.190
   84   1HD1  ILE  10          1HD1      ILE  10   3.046   4.716   0.616
   85   2HD1  ILE  10          2HD1      ILE  10   2.363   5.308   2.131
   86   3HD1  ILE  10          3HD1      ILE  10   2.724   6.438   0.826
   87    H    PHE  11           H        PHE  11   5.353   1.609   0.626
   88    HA   PHE  11           HA       PHE  11   3.455   1.591  -1.418
   89   1HB   PHE  11          1HB       PHE  11   5.792   0.300  -0.828
   90   2HB   PHE  11          2HB       PHE  11   4.629  -1.008  -0.701
   91    HD1  PHE  11           HD1      PHE  11   5.263   1.960  -2.886
   92    HD2  PHE  11           HD2      PHE  11   4.224  -2.195  -2.642
   93    HE1  PHE  11           HE1      PHE  11   5.156   1.845  -5.367
   94    HE2  PHE  11           HE2      PHE  11   4.114  -2.319  -5.123
   95    HZ   PHE  11           HZ       PHE  11   4.581  -0.296  -6.485
   96    H    GLY  12           H        GLY  12   3.446  -0.052   1.707
   97   1HA   GLY  12          1HA       GLY  12   1.123  -1.702   1.112
   98   2HA   GLY  12          2HA       GLY  12   1.806  -1.421   2.716
   99    H    VAL  13           H        VAL  13   1.709   1.394   2.739
  100    HA   VAL  13           HA       VAL  13  -0.946   1.891   3.631
  101    HB   VAL  13           HB       VAL  13   1.234   3.793   2.716
  102   1HG1  VAL  13          1HG1      VAL  13  -1.543   4.249   3.663
  103   2HG1  VAL  13          2HG1      VAL  13  -0.296   5.256   4.399
  104   3HG1  VAL  13          3HG1      VAL  13  -0.517   5.265   2.650
  105   1HG2  VAL  13          1HG2      VAL  13   1.177   2.144   4.900
  106   2HG2  VAL  13          2HG2      VAL  13   2.042   3.680   4.843
  107   3HG2  VAL  13          3HG2      VAL  13   0.429   3.602   5.553
  108    H    SER  14           H        SER  14   0.423   1.799   0.480
  109    HA   SER  14           HA       SER  14  -1.836   3.337  -0.691
  110   1HB   SER  14          1HB       SER  14   0.737   3.466  -1.365
  111   2HB   SER  14          2HB       SER  14   0.311   2.074  -2.356
  112    HG   SER  14           HG       SER  14  -0.692   4.710  -2.424
  113    H    TYR  15           H        TYR  15  -0.205   0.175  -1.111
  114    HA   TYR  15           HA       TYR  15  -2.179  -0.964  -2.823
  115   1HB   TYR  15          1HB       TYR  15   0.216  -1.794  -1.858
  116   2HB   TYR  15          2HB       TYR  15  -0.870  -2.779  -0.885
  117    HD1  TYR  15           HD1      TYR  15  -1.304  -1.529  -4.381
  118    HD2  TYR  15           HD2      TYR  15  -0.734  -4.937  -1.830
  119    HE1  TYR  15           HE1      TYR  15  -1.670  -3.038  -6.315
  120    HE2  TYR  15           HE2      TYR  15  -1.100  -6.446  -3.763
  121    HH   TYR  15           HH       TYR  15  -2.094  -5.191  -6.911
  122    H    ASP  16           H        ASP  16  -1.773  -1.280   0.725
  123    HA   ASP  16           HA       ASP  16  -4.052  -2.817   1.270
  124   1HB   ASP  16          1HB       ASP  16  -3.166  -0.433   2.925
  125   2HB   ASP  16          2HB       ASP  16  -4.025  -1.863   3.495
  126    H    GLU  17           H        GLU  17  -3.778   0.471   0.202
  127    HA   GLU  17           HA       GLU  17  -6.599   1.096   0.786
  128   1HB   GLU  17          1HB       GLU  17  -4.682   2.791   0.895
  129   2HB   GLU  17          2HB       GLU  17  -4.656   2.725  -0.867
  130   1HG   GLU  17          1HG       GLU  17  -6.150   4.458  -0.607
  131   2HG   GLU  17          2HG       GLU  17  -7.286   3.111  -0.528
  132    H    TYR  18           H        TYR  18  -4.639  -0.140  -1.808
  133    HA   TYR  18           HA       TYR  18  -6.711   0.419  -3.839
  134   1HB   TYR  18          1HB       TYR  18  -3.952  -0.770  -3.865
  135   2HB   TYR  18          2HB       TYR  18  -5.043  -1.082  -5.216
  136    HD1  TYR  18           HD1      TYR  18  -6.553   1.359  -5.525
  137    HD2  TYR  18           HD2      TYR  18  -2.404   0.857  -4.533
  138    HE1  TYR  18           HE1      TYR  18  -6.062   3.610  -6.443
  139    HE2  TYR  18           HE2      TYR  18  -1.913   3.108  -5.452
  140    HH   TYR  18           HH       TYR  18  -4.462   5.303  -6.391
  141    H    ARG  19           H        ARG  19  -5.615  -2.204  -1.796
  142    HA   ARG  19           HA       ARG  19  -7.350  -4.130  -3.237
  143   1HB   ARG  19          1HB       ARG  19  -5.394  -4.459  -0.944
  144   2HB   ARG  19          2HB       ARG  19  -6.386  -5.773  -1.581
  145   1HG   ARG  19          1HG       ARG  19  -5.401  -5.153  -3.884
  146   2HG   ARG  19          2HG       ARG  19  -4.197  -4.234  -2.979
  147   1HD   ARG  19          1HD       ARG  19  -3.173  -6.334  -3.215
  148   2HD   ARG  19          2HD       ARG  19  -3.897  -6.433  -1.610
  149    HE   ARG  19           HE       ARG  19  -5.875  -7.431  -3.252
  150   1HH1  ARG  19          1HH1      ARG  19  -3.880  -8.326  -5.203
  151   2HH1  ARG  19          2HH1      ARG  19  -3.385  -9.869  -4.592
  152   1HH2  ARG  19          1HH2      ARG  19  -4.663  -9.316  -1.415
  153   2HH2  ARG  19          2HH2      ARG  19  -3.832 -10.432  -2.448
  154    H    TYR  20           H        TYR  20  -7.667  -1.861  -0.810
  155    HA   TYR  20           HA       TYR  20  -9.505  -3.463   0.857
  156   1HB   TYR  20          1HB       TYR  20  -8.048  -1.859   1.993
  157   2HB   TYR  20          2HB       TYR  20  -8.682  -0.547   0.999
  158    HD1  TYR  20           HD1      TYR  20 -11.033   0.204   1.250
  159    HD2  TYR  20           HD2      TYR  20  -9.316  -2.760   3.843
  160    HE1  TYR  20           HE1      TYR  20 -12.899   0.523   2.850
  161    HE2  TYR  20           HE2      TYR  20 -11.184  -2.440   5.443
  162    HH   TYR  20           HH       TYR  20 -13.823  -1.480   5.019
  163    H    ARG  21           H        ARG  21  -9.626  -0.740  -1.431
  164    HA   ARG  21           HA       ARG  21 -12.485  -0.356  -1.160
  165   1HB   ARG  21          1HB       ARG  21 -10.310   0.819  -2.658
  166   2HB   ARG  21          2HB       ARG  21 -11.693   0.532  -3.717
  167   1HG   ARG  21          1HG       ARG  21 -13.155   1.643  -2.018
  168   2HG   ARG  21          2HG       ARG  21 -11.708   2.039  -1.093
  169   1HD   ARG  21          1HD       ARG  21 -11.215   3.778  -2.447
  170   2HD   ARG  21          2HD       ARG  21 -11.437   2.796  -3.895
  171    HE   ARG  21           HE       ARG  21 -13.892   3.286  -3.693
  172   1HH1  ARG  21          1HH1      ARG  21 -11.488   5.547  -3.021
  173   2HH1  ARG  21          2HH1      ARG  21 -12.560   6.756  -2.397
  174   1HH2  ARG  21          1HH2      ARG  21 -15.342   4.687  -2.433
  175   2HH2  ARG  21          2HH2      ARG  21 -14.743   6.270  -2.068
  176    H    SER  22           H        SER  22 -10.462  -2.469  -3.045
  177    HA   SER  22           HA       SER  22 -12.437  -3.159  -5.037
  178   1HB   SER  22          1HB       SER  22 -10.324  -3.792  -5.735
  179   2HB   SER  22          2HB       SER  22  -9.825  -4.289  -4.121
  180    HG   SER  22           HG       SER  22 -10.509  -6.224  -4.553
  181    H    VAL  23           H        VAL  23 -11.243  -5.043  -2.228
  182    HA   VAL  23           HA       VAL  23 -13.221  -7.070  -2.372
  183    HB   VAL  23           HB       VAL  23 -11.771  -5.979   0.057
  184   1HG1  VAL  23          1HG1      VAL  23 -13.957  -7.524   0.205
  185   2HG1  VAL  23          2HG1      VAL  23 -12.770  -8.786  -0.125
  186   3HG1  VAL  23          3HG1      VAL  23 -12.585  -7.748   1.289
  187   1HG2  VAL  23          1HG2      VAL  23 -11.163  -8.097  -2.005
  188   2HG2  VAL  23          2HG2      VAL  23 -10.133  -6.777  -1.450
  189   3HG2  VAL  23          3HG2      VAL  23 -10.440  -8.159  -0.398
  190    H    ILE  24           H        ILE  24 -13.307  -3.890  -0.822
  191    HA   ILE  24           HA       ILE  24 -16.043  -4.473   0.183
  192    HB   ILE  24           HB       ILE  24 -14.103  -2.200   0.696
  193   1HG1  ILE  24          1HG1      ILE  24 -14.229  -3.088   3.017
  194   2HG1  ILE  24          2HG1      ILE  24 -15.295  -4.373   2.450
  195   1HG2  ILE  24          1HG2      ILE  24 -17.023  -2.499   1.324
  196   2HG2  ILE  24          2HG2      ILE  24 -15.975  -1.686   2.486
  197   3HG2  ILE  24          3HG2      ILE  24 -16.128  -1.057   0.846
  198   1HD1  ILE  24          1HD1      ILE  24 -12.751  -4.049   0.956
  199   2HD1  ILE  24          2HD1      ILE  24 -12.604  -4.650   2.607
  200   3HD1  ILE  24          3HD1      ILE  24 -13.595  -5.521   1.436
  201    H    LYS  25           H        LYS  25 -15.059  -3.817  -2.705
  202    HA   LYS  25           HA       LYS  25 -16.194  -1.282  -3.423
  203   1HB   LYS  25          1HB       LYS  25 -14.661  -2.466  -4.921
  204   2HB   LYS  25          2HB       LYS  25 -15.811  -3.794  -5.080
  205   1HG   LYS  25          1HG       LYS  25 -17.111  -1.276  -5.658
  206   2HG   LYS  25          2HG       LYS  25 -15.677  -1.469  -6.669
  207   1HD   LYS  25          1HD       LYS  25 -17.600  -3.758  -6.325
  208   2HD   LYS  25          2HD       LYS  25 -17.940  -2.482  -7.495
  209   1HE   LYS  25          1HE       LYS  25 -15.176  -3.314  -7.733
  210   2HE   LYS  25          2HE       LYS  25 -16.258  -4.712  -7.891
  211   1HZ   LYS  25          1HZ       LYS  25 -17.659  -3.028  -9.280
  212   2HZ   LYS  25          2HZ       LYS  25 -16.163  -2.250  -9.491
  213   3HZ   LYS  25          3HZ       LYS  25 -16.361  -3.854 -10.003
  214    H    ALA  26           H        ALA  26 -18.304  -0.848  -2.909
  215    HA   ALA  26           HA       ALA  26 -20.644  -1.029  -2.957
  216   1HB   ALA  26          1HB       ALA  26 -20.220  -1.558  -5.371
  217   2HB   ALA  26          2HB       ALA  26 -20.133  -3.266  -4.941
  218   3HB   ALA  26          3HB       ALA  26 -21.641  -2.377  -4.722
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  18.861   4.439  -4.114
    2   2H    MET   1          2H        MET   1  19.116   5.888  -4.964
    3   3H    MET   1          3H        MET   1  19.774   5.688  -3.414
    4    HA   MET   1           HA       MET   1  17.873   7.074  -3.155
    5   1HB   MET   1          1HB       MET   1  17.140   5.706  -5.461
    6   2HB   MET   1          2HB       MET   1  15.964   5.151  -4.270
    7   1HG   MET   1          1HG       MET   1  15.167   7.326  -3.858
    8   2HG   MET   1          2HG       MET   1  16.609   8.081  -4.535
    9   1HE   MET   1          1HE       MET   1  13.360   6.635  -4.775
   10   2HE   MET   1          2HE       MET   1  13.032   8.239  -5.423
   11   3HE   MET   1          3HE       MET   1  12.774   6.819  -6.433
   12    HA   PRO   2           HA       PRO   2  17.600   3.881   0.107
   13   1HB   PRO   2          1HB       PRO   2  18.072   5.613   2.170
   14   2HB   PRO   2          2HB       PRO   2  19.374   4.861   1.227
   15   1HG   PRO   2          1HG       PRO   2  18.259   7.609   1.061
   16   2HG   PRO   2          2HG       PRO   2  19.925   7.049   0.853
   17   1HD   PRO   2          1HD       PRO   2  18.230   7.696  -1.214
   18   2HD   PRO   2          2HD       PRO   2  19.630   6.614  -1.362
   19    H    GLY   3           H        GLY   3  15.237   4.245  -0.810
   20   1HA   GLY   3          1HA       GLY   3  13.657   5.633   1.317
   21   2HA   GLY   3          2HA       GLY   3  13.197   5.737  -0.383
   22    H    THR   4           H        THR   4  14.524   2.722   0.512
   23    HA   THR   4           HA       THR   4  12.141   1.291  -0.143
   24    HB   THR   4           HB       THR   4  14.789   0.637   0.191
   25    HG1  THR   4           HG1      THR   4  12.416  -0.755  -0.184
   26   1HG2  THR   4          1HG2      THR   4  13.257  -0.688   2.446
   27   2HG2  THR   4          2HG2      THR   4  14.888  -1.113   1.929
   28   3HG2  THR   4          3HG2      THR   4  14.572   0.471   2.637
   29    H    ILE   5           H        ILE   5  13.626   2.054   3.002
   30    HA   ILE   5           HA       ILE   5  11.863   0.728   4.718
   31    HB   ILE   5           HB       ILE   5  13.099   3.479   5.052
   32   1HG1  ILE   5          1HG1      ILE   5  13.956   0.690   5.883
   33   2HG1  ILE   5          2HG1      ILE   5  14.777   1.754   4.739
   34   1HG2  ILE   5          1HG2      ILE   5  11.075   2.779   6.553
   35   2HG2  ILE   5          2HG2      ILE   5  12.231   1.677   7.301
   36   3HG2  ILE   5          3HG2      ILE   5  12.527   3.415   7.325
   37   1HD1  ILE   5          1HD1      ILE   5  14.786   3.423   6.795
   38   2HD1  ILE   5          2HD1      ILE   5  14.637   1.933   7.726
   39   3HD1  ILE   5          3HD1      ILE   5  16.019   2.170   6.655
   40    H    LYS   6           H        LYS   6  11.351   3.737   2.940
   41    HA   LYS   6           HA       LYS   6   8.781   4.243   4.266
   42   1HB   LYS   6          1HB       LYS   6   9.664   5.564   1.709
   43   2HB   LYS   6          2HB       LYS   6   8.711   6.237   3.032
   44   1HG   LYS   6          1HG       LYS   6  10.741   6.067   4.500
   45   2HG   LYS   6          2HG       LYS   6  11.668   5.575   3.083
   46   1HD   LYS   6          1HD       LYS   6  11.705   7.679   2.217
   47   2HD   LYS   6          2HD       LYS   6  10.047   8.018   2.715
   48   1HE   LYS   6          1HE       LYS   6  12.098   7.762   4.877
   49   2HE   LYS   6          2HE       LYS   6  12.105   9.243   3.900
   50   1HZ   LYS   6          1HZ       LYS   6   9.639   8.084   5.072
   51   2HZ   LYS   6          2HZ       LYS   6  10.554   9.276   5.856
   52   3HZ   LYS   6          3HZ       LYS   6   9.827   9.614   4.358
   53    H    GLU   7           H        GLU   7   9.928   2.583   1.428
   54    HA   GLU   7           HA       GLU   7   7.257   2.493   0.195
   55   1HB   GLU   7          1HB       GLU   7   9.680   0.871  -0.599
   56   2HB   GLU   7          2HB       GLU   7   8.305   1.332  -1.600
   57   1HG   GLU   7          1HG       GLU   7   9.499   3.700  -0.479
   58   2HG   GLU   7          2HG       GLU   7  10.744   2.737  -1.276
   59    H    ASN   8           H        ASN   8   9.523   0.183   1.718
   60    HA   ASN   8           HA       ASN   8   7.882  -2.116   1.530
   61   1HB   ASN   8          1HB       ASN   8  10.172  -2.354   2.213
   62   2HB   ASN   8          2HB       ASN   8   9.901  -1.318   3.606
   63   1HD2  ASN   8          2HD2      ASN   8   9.608  -2.468   5.520
   64   2HD2  ASN   8          1HD2      ASN   8   8.941  -4.025   5.628
   65    H    ILE   9           H        ILE   9   7.426   0.732   3.339
   66    HA   ILE   9           HA       ILE   9   5.591  -0.627   5.254
   67    HB   ILE   9           HB       ILE   9   6.633   2.210   5.192
   68   1HG1  ILE   9          1HG1      ILE   9   7.379  -0.227   6.830
   69   2HG1  ILE   9          2HG1      ILE   9   8.405   0.621   5.673
   70   1HG2  ILE   9          1HG2      ILE   9   4.430   1.003   6.578
   71   2HG2  ILE   9          2HG2      ILE   9   5.692   1.376   7.752
   72   3HG2  ILE   9          3HG2      ILE   9   5.039   2.651   6.724
   73   1HD1  ILE   9          1HD1      ILE   9   8.210   2.674   7.065
   74   2HD1  ILE   9          2HD1      ILE   9   7.296   1.743   8.252
   75   3HD1  ILE   9          3HD1      ILE   9   8.982   1.339   7.922
   76    H    ILE  10           H        ILE  10   5.562   0.958   2.302
   77    HA   ILE  10           HA       ILE  10   2.703   1.756   2.694
   78    HB   ILE  10           HB       ILE  10   4.730   3.477   2.078
   79   1HG1  ILE  10          1HG1      ILE  10   2.564   4.274   2.652
   80   2HG1  ILE  10          2HG1      ILE  10   2.875   4.899   1.033
   81   1HG2  ILE  10          1HG2      ILE  10   3.584   2.534  -0.565
   82   2HG2  ILE  10          2HG2      ILE  10   4.521   4.013  -0.351
   83   3HG2  ILE  10          3HG2      ILE  10   5.271   2.444  -0.057
   84   1HD1  ILE  10          1HD1      ILE  10   1.734   2.598   0.318
   85   2HD1  ILE  10          2HD1      ILE  10   0.984   2.757   1.907
   86   3HD1  ILE  10          3HD1      ILE  10   0.765   4.022   0.698
   87    H    PHE  11           H        PHE  11   5.141   0.596   0.421
   88    HA   PHE  11           HA       PHE  11   3.596  -0.166  -1.757
   89   1HB   PHE  11          1HB       PHE  11   5.857  -0.609  -2.047
   90   2HB   PHE  11          2HB       PHE  11   6.046  -1.254  -0.421
   91    HD1  PHE  11           HD1      PHE  11   5.107  -3.531   0.123
   92    HD2  PHE  11           HD2      PHE  11   5.407  -2.023  -3.881
   93    HE1  PHE  11           HE1      PHE  11   4.876  -5.844  -0.763
   94    HE2  PHE  11           HE2      PHE  11   5.176  -4.333  -4.776
   95    HZ   PHE  11           HZ       PHE  11   4.911  -6.242  -3.214
   96    H    GLY  12           H        GLY  12   3.890  -1.736   1.399
   97   1HA   GLY  12          1HA       GLY  12   2.268  -4.038   0.657
   98   2HA   GLY  12          2HA       GLY  12   2.737  -3.590   2.300
   99    H    VAL  13           H        VAL  13   1.700  -1.081   2.581
  100    HA   VAL  13           HA       VAL  13  -1.064  -1.557   3.096
  101    HB   VAL  13           HB       VAL  13   0.558   0.990   2.876
  102   1HG1  VAL  13          1HG1      VAL  13  -2.339   0.625   2.956
  103   2HG1  VAL  13          2HG1      VAL  13  -1.747   1.563   4.327
  104   3HG1  VAL  13          3HG1      VAL  13  -1.403   2.094   2.681
  105   1HG2  VAL  13          1HG2      VAL  13   0.567  -0.927   4.800
  106   2HG2  VAL  13          2HG2      VAL  13   0.864   0.779   5.135
  107   3HG2  VAL  13          3HG2      VAL  13  -0.743   0.095   5.389
  108    H    SER  14           H        SER  14   0.598   0.039   0.394
  109    HA   SER  14           HA       SER  14  -1.690   1.022  -0.963
  110   1HB   SER  14          1HB       SER  14   1.013   1.000  -1.463
  111   2HB   SER  14          2HB       SER  14   0.414  -0.102  -2.698
  112    HG   SER  14           HG       SER  14   0.033   2.617  -2.376
  113    H    TYR  15           H        TYR  15   0.019  -2.091  -1.376
  114    HA   TYR  15           HA       TYR  15  -1.874  -3.195  -3.221
  115   1HB   TYR  15          1HB       TYR  15   0.532  -4.001  -2.304
  116   2HB   TYR  15          2HB       TYR  15  -0.508  -5.035  -1.327
  117    HD1  TYR  15           HD1      TYR  15  -0.931  -3.728  -4.808
  118    HD2  TYR  15           HD2      TYR  15  -0.447  -7.174  -2.292
  119    HE1  TYR  15           HE1      TYR  15  -1.294  -5.206  -6.766
  120    HE2  TYR  15           HE2      TYR  15  -0.809  -8.654  -4.249
  121    HH   TYR  15           HH       TYR  15  -0.421  -8.196  -6.993
  122    H    ASP  16           H        ASP  16  -1.491  -3.762   0.300
  123    HA   ASP  16           HA       ASP  16  -3.797  -5.319   0.701
  124   1HB   ASP  16          1HB       ASP  16  -2.347  -3.322   2.431
  125   2HB   ASP  16          2HB       ASP  16  -3.839  -4.070   3.004
  126    H    GLU  17           H        GLU  17  -3.463  -1.963  -0.069
  127    HA   GLU  17           HA       GLU  17  -6.316  -1.426   0.546
  128   1HB   GLU  17          1HB       GLU  17  -4.215   0.153   1.006
  129   2HB   GLU  17          2HB       GLU  17  -4.510   0.628  -0.666
  130   1HG   GLU  17          1HG       GLU  17  -6.990   0.879   0.072
  131   2HG   GLU  17          2HG       GLU  17  -6.339   0.892   1.712
  132    H    TYR  18           H        TYR  18  -4.164  -2.094  -2.106
  133    HA   TYR  18           HA       TYR  18  -5.894  -0.965  -4.164
  134   1HB   TYR  18          1HB       TYR  18  -3.278  -1.977  -4.066
  135   2HB   TYR  18          2HB       TYR  18  -4.161  -3.098  -5.102
  136    HD1  TYR  18           HD1      TYR  18  -4.283   0.614  -4.514
  137    HD2  TYR  18           HD2      TYR  18  -3.929  -2.585  -7.360
  138    HE1  TYR  18           HE1      TYR  18  -4.218   2.265  -6.363
  139    HE2  TYR  18           HE2      TYR  18  -3.865  -0.932  -9.208
  140    HH   TYR  18           HH       TYR  18  -3.126   2.081  -8.955
  141    H    ARG  19           H        ARG  19  -5.566  -4.072  -2.555
  142    HA   ARG  19           HA       ARG  19  -7.678  -5.187  -4.345
  143   1HB   ARG  19          1HB       ARG  19  -5.476  -6.388  -2.717
  144   2HB   ARG  19          2HB       ARG  19  -6.946  -7.335  -2.947
  145   1HG   ARG  19          1HG       ARG  19  -6.357  -6.241  -5.473
  146   2HG   ARG  19          2HG       ARG  19  -4.815  -6.805  -4.831
  147   1HD   ARG  19          1HD       ARG  19  -7.108  -8.638  -4.432
  148   2HD   ARG  19          2HD       ARG  19  -6.585  -8.428  -6.103
  149    HE   ARG  19           HE       ARG  19  -4.425  -8.983  -4.186
  150   1HH1  ARG  19          1HH1      ARG  19  -7.024 -10.649  -5.556
  151   2HH1  ARG  19          2HH1      ARG  19  -6.064 -11.913  -6.249
  152   1HH2  ARG  19          1HH2      ARG  19  -3.040 -10.405  -5.472
  153   2HH2  ARG  19          2HH2      ARG  19  -3.809 -11.775  -6.202
  154    H    TYR  20           H        TYR  20  -7.654  -3.412  -1.698
  155    HA   TYR  20           HA       TYR  20  -9.773  -5.024  -0.331
  156   1HB   TYR  20          1HB       TYR  20  -7.783  -4.714   1.091
  157   2HB   TYR  20          2HB       TYR  20  -7.889  -2.968   0.865
  158    HD1  TYR  20           HD1      TYR  20  -9.482  -5.922   2.409
  159    HD2  TYR  20           HD2      TYR  20  -9.597  -1.649   1.974
  160    HE1  TYR  20           HE1      TYR  20 -11.094  -5.774   4.287
  161    HE2  TYR  20           HE2      TYR  20 -11.210  -1.501   3.853
  162    HH   TYR  20           HH       TYR  20 -12.745  -2.811   5.061
  163    H    ARG  21           H        ARG  21  -8.726  -1.757  -1.276
  164    HA   ARG  21           HA       ARG  21 -11.241  -0.518  -0.494
  165   1HB   ARG  21          1HB       ARG  21  -8.805   0.503  -0.953
  166   2HB   ARG  21          2HB       ARG  21  -9.493   0.738  -2.561
  167   1HG   ARG  21          1HG       ARG  21 -11.445   1.886  -1.521
  168   2HG   ARG  21          2HG       ARG  21 -10.666   1.728   0.052
  169   1HD   ARG  21          1HD       ARG  21  -9.436   3.569  -0.341
  170   2HD   ARG  21          2HD       ARG  21  -8.780   2.841  -1.807
  171    HE   ARG  21           HE       ARG  21 -10.770   3.778  -3.011
  172   1HH1  ARG  21          1HH2      ARG  21  -8.994   5.945  -1.668
  173   2HH1  ARG  21          2HH2      ARG  21 -10.219   7.013  -1.069
  174   1HH2  ARG  21          1HH1      ARG  21 -12.787   4.715  -1.464
  175   2HH2  ARG  21          2HH1      ARG  21 -12.365   6.315  -0.950
  176    H    SER  22           H        SER  22  -9.823  -1.632  -3.561
  177    HA   SER  22           HA       SER  22 -11.800  -0.737  -5.344
  178   1HB   SER  22          1HB       SER  22  -9.695  -1.911  -6.003
  179   2HB   SER  22          2HB       SER  22 -10.396  -3.423  -5.434
  180    HG   SER  22           HG       SER  22 -11.568  -3.512  -7.179
  181    H    VAL  23           H        VAL  23 -11.871  -3.485  -3.128
  182    HA   VAL  23           HA       VAL  23 -14.512  -4.326  -4.175
  183    HB   VAL  23           HB       VAL  23 -12.861  -6.063  -3.577
  184   1HG1  VAL  23          1HG1      VAL  23 -11.713  -4.791  -1.792
  185   2HG1  VAL  23          2HG1      VAL  23 -13.146  -4.941  -0.774
  186   3HG1  VAL  23          3HG1      VAL  23 -12.227  -6.378  -1.220
  187   1HG2  VAL  23          1HG2      VAL  23 -15.554  -5.839  -2.576
  188   2HG2  VAL  23          2HG2      VAL  23 -14.701  -7.285  -3.116
  189   3HG2  VAL  23          3HG2      VAL  23 -14.582  -6.769  -1.435
  190    H    ILE  24           H        ILE  24 -13.052  -3.013  -1.218
  191    HA   ILE  24           HA       ILE  24 -15.708  -2.808   0.037
  192    HB   ILE  24           HB       ILE  24 -13.177  -3.213   1.045
  193   1HG1  ILE  24          1HG1      ILE  24 -14.297  -2.930   3.250
  194   2HG1  ILE  24          2HG1      ILE  24 -15.654  -2.152   2.432
  195   1HG2  ILE  24          1HG2      ILE  24 -12.748  -0.725   0.683
  196   2HG2  ILE  24          2HG2      ILE  24 -13.970  -0.425   1.918
  197   3HG2  ILE  24          3HG2      ILE  24 -12.501  -1.311   2.327
  198   1HD1  ILE  24          1HD1      ILE  24 -15.200  -4.520   0.993
  199   2HD1  ILE  24          2HD1      ILE  24 -15.060  -4.981   2.690
  200   3HD1  ILE  24          3HD1      ILE  24 -16.530  -4.201   2.106
  201    H    LYS  25           H        LYS  25 -14.477  -1.100  -2.344
  202    HA   LYS  25           HA       LYS  25 -14.468   1.614  -1.415
  203   1HB   LYS  25          1HB       LYS  25 -14.067   0.316  -3.865
  204   2HB   LYS  25          2HB       LYS  25 -15.486   1.333  -4.129
  205   1HG   LYS  25          1HG       LYS  25 -14.173   3.235  -3.058
  206   2HG   LYS  25          2HG       LYS  25 -12.750   2.197  -3.163
  207   1HD   LYS  25          1HD       LYS  25 -12.937   3.727  -5.116
  208   2HD   LYS  25          2HD       LYS  25 -13.011   2.030  -5.590
  209   1HE   LYS  25          1HE       LYS  25 -15.125   2.255  -6.396
  210   2HE   LYS  25          2HE       LYS  25 -15.654   3.149  -4.956
  211   1HZ   LYS  25          1HZ       LYS  25 -13.887   4.315  -7.036
  212   2HZ   LYS  25          2HZ       LYS  25 -15.577   4.494  -7.054
  213   3HZ   LYS  25          3HZ       LYS  25 -14.672   5.129  -5.768
  214    H    ALA  26           H        ALA  26 -16.336   3.027  -2.828
  215    HA   ALA  26           HA       ALA  26 -18.610   3.633  -2.892
  216   1HB   ALA  26          1HB       ALA  26 -18.716   1.042  -3.525
  217   2HB   ALA  26          2HB       ALA  26 -19.473   0.935  -1.936
  218   3HB   ALA  26          3HB       ALA  26 -20.181   1.962  -3.183
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  20.854   2.087  -1.328
    2   2H    MET   1          2H        MET   1  21.994   2.787  -2.369
    3   3H    MET   1          3H        MET   1  21.889   3.307  -0.756
    4    HA   MET   1           HA       MET   1  20.751   4.991  -1.826
    5   1HB   MET   1          1HB       MET   1  20.374   2.743  -3.712
    6   2HB   MET   1          2HB       MET   1  19.052   3.910  -3.682
    7   1HG   MET   1          1HG       MET   1  20.298   5.504  -4.693
    8   2HG   MET   1          2HG       MET   1  21.687   5.187  -3.654
    9   1HE   MET   1          1HE       MET   1  22.101   6.176  -6.070
   10   2HE   MET   1          2HE       MET   1  23.622   5.288  -6.020
   11   3HE   MET   1          3HE       MET   1  22.591   5.177  -7.445
   12    HA   PRO   2           HA       PRO   2  17.304   4.248   0.830
   13   1HB   PRO   2          1HB       PRO   2  16.020   6.636   0.460
   14   2HB   PRO   2          2HB       PRO   2  17.491   6.473   1.439
   15   1HG   PRO   2          1HG       PRO   2  17.172   7.473  -1.343
   16   2HG   PRO   2          2HG       PRO   2  18.248   8.038  -0.056
   17   1HD   PRO   2          1HD       PRO   2  19.059   6.456  -2.135
   18   2HD   PRO   2          2HD       PRO   2  19.857   6.492  -0.547
   19    H    GLY   3           H        GLY   3  14.877   4.152   0.667
   20   1HA   GLY   3          1HA       GLY   3  12.906   4.369  -0.869
   21   2HA   GLY   3          2HA       GLY   3  13.977   3.847  -2.172
   22    H    THR   4           H        THR   4  14.174   2.397   1.002
   23    HA   THR   4           HA       THR   4  12.971  -0.084  -0.149
   24    HB   THR   4           HB       THR   4  15.573   0.298   0.784
   25    HG1  THR   4           HG1      THR   4  15.439  -1.437  -0.367
   26   1HG2  THR   4          1HG2      THR   4  14.674   0.293   3.125
   27   2HG2  THR   4          2HG2      THR   4  14.052  -1.333   2.839
   28   3HG2  THR   4          3HG2      THR   4  15.790  -1.035   2.802
   29    H    ILE   5           H        ILE   5  13.448   1.787   2.842
   30    HA   ILE   5           HA       ILE   5  11.312   0.261   4.188
   31    HB   ILE   5           HB       ILE   5  13.166   2.493   5.039
   32   1HG1  ILE   5          1HG1      ILE   5  12.922   0.089   6.686
   33   2HG1  ILE   5          2HG1      ILE   5  13.381  -0.286   5.025
   34   1HG2  ILE   5          1HG2      ILE   5  10.727   1.381   6.435
   35   2HG2  ILE   5          2HG2      ILE   5  12.056   2.115   7.333
   36   3HG2  ILE   5          3HG2      ILE   5  11.151   3.070   6.159
   37   1HD1  ILE   5          1HD1      ILE   5  14.806   2.036   6.113
   38   2HD1  ILE   5          2HD1      ILE   5  15.120   0.548   7.007
   39   3HD1  ILE   5          3HD1      ILE   5  15.441   0.621   5.275
   40    H    LYS   6           H        LYS   6  11.919   3.691   3.348
   41    HA   LYS   6           HA       LYS   6   9.482   4.802   4.068
   42   1HB   LYS   6          1HB       LYS   6  11.519   5.910   2.910
   43   2HB   LYS   6          2HB       LYS   6  10.728   5.457   1.399
   44   1HG   LYS   6          1HG       LYS   6   8.762   6.627   3.117
   45   2HG   LYS   6          2HG       LYS   6  10.162   7.699   3.071
   46   1HD   LYS   6          1HD       LYS   6   8.848   6.534   0.601
   47   2HD   LYS   6          2HD       LYS   6   8.489   8.138   1.242
   48   1HE   LYS   6          1HE       LYS   6  10.675   8.939   0.785
   49   2HE   LYS   6          2HE       LYS   6  11.325   7.298   0.599
   50   1HZ   LYS   6          1HZ       LYS   6   9.071   7.848  -1.105
   51   2HZ   LYS   6          2HZ       LYS   6  10.409   8.842  -1.433
   52   3HZ   LYS   6          3HZ       LYS   6  10.575   7.156  -1.488
   53    H    GLU   7           H        GLU   7  10.115   2.556   1.484
   54    HA   GLU   7           HA       GLU   7   7.383   2.965   0.382
   55   1HB   GLU   7          1HB       GLU   7   9.561   1.079  -0.570
   56   2HB   GLU   7          2HB       GLU   7   8.089   1.518  -1.435
   57   1HG   GLU   7          1HG       GLU   7   9.563   3.885  -0.633
   58   2HG   GLU   7          2HG       GLU   7  10.571   2.811  -1.604
   59    H    ASN   8           H        ASN   8   9.439   0.363   1.699
   60    HA   ASN   8           HA       ASN   8   7.532  -1.702   1.708
   61   1HB   ASN   8          1HB       ASN   8   9.761  -2.273   2.259
   62   2HB   ASN   8          2HB       ASN   8   9.814  -1.080   3.548
   63   1HD2  ASN   8          2HD2      ASN   8   7.639  -3.830   2.687
   64   2HD2  ASN   8          1HD2      ASN   8   7.594  -4.472   4.259
   65    H    ILE   9           H        ILE   9   7.608   1.194   3.551
   66    HA   ILE   9           HA       ILE   9   5.653   0.104   5.517
   67    HB   ILE   9           HB       ILE   9   6.899   2.845   5.549
   68   1HG1  ILE   9          1HG1      ILE   9   8.567   0.861   5.403
   69   2HG1  ILE   9          2HG1      ILE   9   8.777   2.026   6.700
   70   1HG2  ILE   9          1HG2      ILE   9   5.421   1.076   7.469
   71   2HG2  ILE   9          2HG2      ILE   9   6.592   2.231   8.103
   72   3HG2  ILE   9          3HG2      ILE   9   5.217   2.799   7.156
   73   1HD1  ILE   9          1HD1      ILE   9   7.292  -0.601   6.971
   74   2HD1  ILE   9          2HD1      ILE   9   8.953  -0.329   7.499
   75   3HD1  ILE   9          3HD1      ILE   9   7.627   0.544   8.269
   76    H    ILE  10           H        ILE  10   5.762   1.771   2.594
   77    HA   ILE  10           HA       ILE  10   3.075   2.971   3.156
   78    HB   ILE  10           HB       ILE  10   5.314   4.425   2.539
   79   1HG1  ILE  10          1HG1      ILE  10   3.289   5.440   3.309
   80   2HG1  ILE  10          2HG1      ILE  10   3.641   6.175   1.746
   81   1HG2  ILE  10          1HG2      ILE  10   3.901   3.823  -0.074
   82   2HG2  ILE  10          2HG2      ILE  10   5.006   5.175   0.163
   83   3HG2  ILE  10          3HG2      ILE  10   5.596   3.520   0.307
   84   1HD1  ILE  10          1HD1      ILE  10   2.140   4.350   0.734
   85   2HD1  ILE  10          2HD1      ILE  10   1.600   4.042   2.384
   86   3HD1  ILE  10          3HD1      ILE  10   1.331   5.623   1.648
   87    H    PHE  11           H        PHE  11   5.216   1.719   0.619
   88    HA   PHE  11           HA       PHE  11   3.380   1.316  -1.436
   89   1HB   PHE  11          1HB       PHE  11   5.531   0.746  -2.057
   90   2HB   PHE  11          2HB       PHE  11   5.884  -0.030  -0.520
   91    HD1  PHE  11           HD1      PHE  11   4.268  -0.437  -3.798
   92    HD2  PHE  11           HD2      PHE  11   5.373  -2.346  -0.117
   93    HE1  PHE  11           HE1      PHE  11   3.769  -2.655  -4.807
   94    HE2  PHE  11           HE2      PHE  11   4.875  -4.568  -1.119
   95    HZ   PHE  11           HZ       PHE  11   4.072  -4.720  -3.462
   96    H    GLY  12           H        GLY  12   3.814  -0.518   1.549
   97   1HA   GLY  12          1HA       GLY  12   1.993  -2.654   0.746
   98   2HA   GLY  12          2HA       GLY  12   2.643  -2.405   2.368
   99    H    VAL  13           H        VAL  13   1.797   0.167   2.932
  100    HA   VAL  13           HA       VAL  13  -0.882  -0.206   3.781
  101    HB   VAL  13           HB       VAL  13   0.626   2.382   3.290
  102   1HG1  VAL  13          1HG1      VAL  13  -2.045   2.206   3.642
  103   2HG1  VAL  13          2HG1      VAL  13  -1.529   2.160   5.328
  104   3HG1  VAL  13          3HG1      VAL  13  -1.083   3.527   4.306
  105   1HG2  VAL  13          1HG2      VAL  13   1.639   0.702   4.898
  106   2HG2  VAL  13          2HG2      VAL  13   1.226   2.255   5.624
  107   3HG2  VAL  13          3HG2      VAL  13   0.177   0.859   5.872
  108    H    SER  14           H        SER  14   0.430   0.942   0.752
  109    HA   SER  14           HA       SER  14  -2.092   2.084  -0.184
  110   1HB   SER  14          1HB       SER  14   0.368   2.613  -0.959
  111   2HB   SER  14          2HB       SER  14   0.128   1.230  -2.023
  112    HG   SER  14           HG       SER  14  -1.112   3.731  -1.994
  113    H    TYR  15           H        TYR  15  -0.185  -0.817  -1.092
  114    HA   TYR  15           HA       TYR  15  -2.155  -1.949  -2.806
  115   1HB   TYR  15          1HB       TYR  15   0.373  -2.648  -2.085
  116   2HB   TYR  15          2HB       TYR  15  -0.556  -3.839  -1.177
  117    HD1  TYR  15           HD1      TYR  15   0.080  -2.466  -4.570
  118    HD2  TYR  15           HD2      TYR  15  -1.704  -5.628  -2.273
  119    HE1  TYR  15           HE1      TYR  15  -0.272  -3.774  -6.646
  120    HE2  TYR  15           HE2      TYR  15  -2.055  -6.937  -4.349
  121    HH   TYR  15           HH       TYR  15  -0.775  -5.838  -7.455
  122    H    ASP  16           H        ASP  16  -1.444  -2.706   0.618
  123    HA   ASP  16           HA       ASP  16  -3.526  -4.484   1.147
  124   1HB   ASP  16          1HB       ASP  16  -1.699  -3.266   2.711
  125   2HB   ASP  16          2HB       ASP  16  -3.117  -2.317   3.156
  126    H    GLU  17           H        GLU  17  -3.669  -1.069   0.495
  127    HA   GLU  17           HA       GLU  17  -6.532  -0.933   1.247
  128   1HB   GLU  17          1HB       GLU  17  -4.578   0.914   1.519
  129   2HB   GLU  17          2HB       GLU  17  -5.180   1.365  -0.076
  130   1HG   GLU  17          1HG       GLU  17  -7.490   0.910   1.434
  131   2HG   GLU  17          2HG       GLU  17  -6.408   1.766   2.532
  132    H    TYR  18           H        TYR  18  -4.470  -1.285  -1.538
  133    HA   TYR  18           HA       TYR  18  -6.544  -0.472  -3.446
  134   1HB   TYR  18          1HB       TYR  18  -3.793  -0.732  -3.587
  135   2HB   TYR  18          2HB       TYR  18  -4.365  -2.136  -4.490
  136    HD1  TYR  18           HD1      TYR  18  -4.365   1.550  -4.308
  137    HD2  TYR  18           HD2      TYR  18  -5.640  -1.890  -6.543
  138    HE1  TYR  18           HE1      TYR  18  -4.928   3.008  -6.234
  139    HE2  TYR  18           HE2      TYR  18  -6.204  -0.433  -8.468
  140    HH   TYR  18           HH       TYR  18  -5.739   3.102  -8.292
  141    H    ARG  19           H        ARG  19  -5.501  -3.411  -1.878
  142    HA   ARG  19           HA       ARG  19  -7.202  -5.026  -3.709
  143   1HB   ARG  19          1HB       ARG  19  -4.776  -5.528  -2.257
  144   2HB   ARG  19          2HB       ARG  19  -6.020  -6.647  -1.694
  145   1HG   ARG  19          1HG       ARG  19  -6.047  -6.311  -4.600
  146   2HG   ARG  19          2HG       ARG  19  -4.511  -6.941  -4.006
  147   1HD   ARG  19          1HD       ARG  19  -5.419  -8.945  -3.494
  148   2HD   ARG  19          2HD       ARG  19  -6.799  -8.194  -2.691
  149    HE   ARG  19           HE       ARG  19  -7.927  -8.086  -4.864
  150   1HH1  ARG  19          1HH1      ARG  19  -4.698  -9.065  -5.286
  151   2HH1  ARG  19          2HH1      ARG  19  -5.048 -10.223  -6.526
  152   1HH2  ARG  19          1HH2      ARG  19  -8.487  -9.877  -6.250
  153   2HH2  ARG  19          2HH2      ARG  19  -7.193 -10.684  -7.070
  154    H    TYR  20           H        TYR  20  -7.423  -3.372  -0.787
  155    HA   TYR  20           HA       TYR  20  -9.485  -5.256   0.265
  156   1HB   TYR  20          1HB       TYR  20  -7.750  -4.667   1.885
  157   2HB   TYR  20          2HB       TYR  20  -8.046  -2.949   1.612
  158    HD1  TYR  20           HD1      TYR  20 -10.011  -6.053   2.418
  159    HD2  TYR  20           HD2      TYR  20  -9.420  -1.859   3.140
  160    HE1  TYR  20           HE1      TYR  20 -11.817  -6.091   4.118
  161    HE2  TYR  20           HE2      TYR  20 -11.226  -1.897   4.839
  162    HH   TYR  20           HH       TYR  20 -12.763  -3.123   5.859
  163    H    ARG  21           H        ARG  21  -8.974  -1.995  -0.945
  164    HA   ARG  21           HA       ARG  21 -11.745  -1.216  -0.270
  165   1HB   ARG  21          1HB       ARG  21  -9.434   0.240  -0.477
  166   2HB   ARG  21          2HB       ARG  21 -10.176   0.538  -2.052
  167   1HG   ARG  21          1HG       ARG  21 -12.357   0.908  -0.617
  168   2HG   ARG  21          2HG       ARG  21 -11.205   1.205   0.683
  169   1HD   ARG  21          1HD       ARG  21 -10.205   3.029  -0.480
  170   2HD   ARG  21          2HD       ARG  21 -10.994   2.590  -1.996
  171    HE   ARG  21           HE       ARG  21 -12.735   3.989  -1.268
  172   1HH1  ARG  21          1HH1      ARG  21 -10.841   4.090   1.361
  173   2HH1  ARG  21          2HH1      ARG  21 -12.091   3.980   2.555
  174   1HH2  ARG  21          1HH2      ARG  21 -14.554   3.101   0.278
  175   2HH2  ARG  21          2HH2      ARG  21 -14.194   3.424   1.942
  176    H    SER  22           H        SER  22  -9.748  -1.758  -3.157
  177    HA   SER  22           HA       SER  22 -11.593  -1.170  -5.168
  178   1HB   SER  22          1HB       SER  22  -9.296  -1.842  -5.672
  179   2HB   SER  22          2HB       SER  22  -9.613  -3.466  -5.071
  180    HG   SER  22           HG       SER  22 -11.157  -2.294  -7.128
  181    H    VAL  23           H        VAL  23 -11.710  -3.757  -2.855
  182    HA   VAL  23           HA       VAL  23 -13.719  -5.241  -4.445
  183    HB   VAL  23           HB       VAL  23 -11.959  -6.454  -3.131
  184   1HG1  VAL  23          1HG1      VAL  23 -11.910  -4.880  -1.212
  185   2HG1  VAL  23          2HG1      VAL  23 -13.531  -5.407  -0.757
  186   3HG1  VAL  23          3HG1      VAL  23 -12.183  -6.542  -0.690
  187   1HG2  VAL  23          1HG2      VAL  23 -14.517  -7.166  -3.585
  188   2HG2  VAL  23          2HG2      VAL  23 -13.396  -8.201  -2.701
  189   3HG2  VAL  23          3HG2      VAL  23 -14.537  -7.183  -1.822
  190    H    ILE  24           H        ILE  24 -13.500  -3.433  -1.382
  191    HA   ILE  24           HA       ILE  24 -16.334  -3.766  -0.800
  192    HB   ILE  24           HB       ILE  24 -14.488  -1.669   0.360
  193   1HG1  ILE  24          1HG1      ILE  24 -13.407  -3.904   0.441
  194   2HG1  ILE  24          2HG1      ILE  24 -13.867  -3.346   2.050
  195   1HG2  ILE  24          1HG2      ILE  24 -17.189  -2.633   0.876
  196   2HG2  ILE  24          2HG2      ILE  24 -16.166  -2.776   2.305
  197   3HG2  ILE  24          3HG2      ILE  24 -16.370  -1.209   1.519
  198   1HD1  ILE  24          1HD1      ILE  24 -16.007  -4.829   0.704
  199   2HD1  ILE  24          2HD1      ILE  24 -14.549  -5.793   0.945
  200   3HD1  ILE  24          3HD1      ILE  24 -15.345  -5.038   2.326
  201    H    LYS  25           H        LYS  25 -14.394  -1.448  -2.562
  202    HA   LYS  25           HA       LYS  25 -16.155   0.777  -2.547
  203   1HB   LYS  25          1HB       LYS  25 -13.851   0.788  -3.517
  204   2HB   LYS  25          2HB       LYS  25 -14.450  -0.174  -4.868
  205   1HG   LYS  25          1HG       LYS  25 -15.730   1.573  -5.723
  206   2HG   LYS  25          2HG       LYS  25 -15.856   2.381  -4.162
  207   1HD   LYS  25          1HD       LYS  25 -13.182   2.501  -4.499
  208   2HD   LYS  25          2HD       LYS  25 -13.686   2.507  -6.190
  209   1HE   LYS  25          1HE       LYS  25 -15.265   4.393  -5.658
  210   2HE   LYS  25          2HE       LYS  25 -14.567   4.450  -4.027
  211   1HZ   LYS  25          1HZ       LYS  25 -12.367   4.688  -5.031
  212   2HZ   LYS  25          2HZ       LYS  25 -13.066   4.709  -6.579
  213   3HZ   LYS  25          3HZ       LYS  25 -13.390   5.965  -5.488
  214    H    ALA  26           H        ALA  26 -15.948  -1.857  -4.974
  215    HA   ALA  26           HA       ALA  26 -17.535  -2.505  -6.595
  216   1HB   ALA  26          1HB       ALA  26 -18.616  -2.701  -3.949
  217   2HB   ALA  26          2HB       ALA  26 -19.910  -2.210  -5.042
  218   3HB   ALA  26          3HB       ALA  26 -18.999  -3.687  -5.360
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  21.962   1.686   0.489
    2   2H    MET   1          2H        MET   1  21.565   1.792  -1.161
    3   3H    MET   1          3H        MET   1  23.032   2.437  -0.592
    4    HA   MET   1           HA       MET   1  21.916   4.164   0.601
    5   1HB   MET   1          1HB       MET   1  21.594   3.579  -2.252
    6   2HB   MET   1          2HB       MET   1  20.396   4.728  -1.658
    7   1HG   MET   1          1HG       MET   1  22.693   5.635  -0.450
    8   2HG   MET   1          2HG       MET   1  23.300   5.062  -2.004
    9   1HE   MET   1          1HE       MET   1  24.015   7.523  -1.800
   10   2HE   MET   1          2HE       MET   1  23.072   8.873  -2.427
   11   3HE   MET   1          3HE       MET   1  22.868   8.351  -0.750
   12    HA   PRO   2           HA       PRO   2  17.940   2.990   2.152
   13   1HB   PRO   2          1HB       PRO   2  17.330   5.362   3.373
   14   2HB   PRO   2          2HB       PRO   2  18.492   4.202   4.047
   15   1HG   PRO   2          1HG       PRO   2  18.989   6.710   2.525
   16   2HG   PRO   2          2HG       PRO   2  19.865   6.038   3.909
   17   1HD   PRO   2          1HD       PRO   2  20.747   5.858   1.334
   18   2HD   PRO   2          2HD       PRO   2  21.151   4.674   2.597
   19    H    GLY   3           H        GLY   3  15.723   4.583   2.327
   20   1HA   GLY   3          1HA       GLY   3  14.303   6.093   1.059
   21   2HA   GLY   3          2HA       GLY   3  15.390   5.905  -0.318
   22    H    THR   4           H        THR   4  15.394   2.895   0.379
   23    HA   THR   4           HA       THR   4  13.163   2.235  -1.402
   24    HB   THR   4           HB       THR   4  15.655   1.145  -0.955
   25    HG1  THR   4           HG1      THR   4  13.834   0.911  -2.643
   26   1HG2  THR   4          1HG2      THR   4  14.908   0.059   1.133
   27   2HG2  THR   4          2HG2      THR   4  13.617  -0.751   0.246
   28   3HG2  THR   4          3HG2      THR   4  15.304  -1.135  -0.103
   29    H    ILE   5           H        ILE   5  14.061   1.669   1.975
   30    HA   ILE   5           HA       ILE   5  11.882   0.011   2.716
   31    HB   ILE   5           HB       ILE   5  13.223   2.126   4.428
   32   1HG1  ILE   5          1HG1      ILE   5  14.152  -0.611   4.762
   33   2HG1  ILE   5          2HG1      ILE   5  14.406  -0.051   3.109
   34   1HG2  ILE   5          1HG2      ILE   5  11.056   0.857   5.157
   35   2HG2  ILE   5          2HG2      ILE   5  12.136  -0.524   5.352
   36   3HG2  ILE   5          3HG2      ILE   5  12.409   0.949   6.283
   37   1HD1  ILE   5          1HD1      ILE   5  15.084   2.049   4.973
   38   2HD1  ILE   5          2HD1      ILE   5  15.965   0.577   5.379
   39   3HD1  ILE   5          3HD1      ILE   5  16.106   1.272   3.765
   40    H    LYS   6           H        LYS   6  12.180   3.566   2.928
   41    HA   LYS   6           HA       LYS   6   9.639   4.150   3.962
   42   1HB   LYS   6          1HB       LYS   6  11.203   5.676   1.860
   43   2HB   LYS   6          2HB       LYS   6   9.840   6.328   2.771
   44   1HG   LYS   6          1HG       LYS   6  11.045   6.005   4.871
   45   2HG   LYS   6          2HG       LYS   6  12.388   5.251   4.012
   46   1HD   LYS   6          1HD       LYS   6  12.896   7.304   2.855
   47   2HD   LYS   6          2HD       LYS   6  11.433   8.072   3.470
   48   1HE   LYS   6          1HE       LYS   6  13.128   8.892   4.913
   49   2HE   LYS   6          2HE       LYS   6  12.439   7.538   5.831
   50   1HZ   LYS   6          1HZ       LYS   6  14.124   6.124   4.573
   51   2HZ   LYS   6          2HZ       LYS   6  14.909   7.585   4.205
   52   3HZ   LYS   6          3HZ       LYS   6  14.719   7.105   5.822
   53    H    GLU   7           H        GLU   7  10.510   2.992   0.797
   54    HA   GLU   7           HA       GLU   7   7.833   3.620  -0.297
   55   1HB   GLU   7          1HB       GLU   7  10.110   2.099  -1.599
   56   2HB   GLU   7          2HB       GLU   7   8.703   2.797  -2.401
   57   1HG   GLU   7          1HG       GLU   7   9.969   4.851  -0.858
   58   2HG   GLU   7          2HG       GLU   7  11.198   4.055  -1.842
   59    H    ASN   8           H        ASN   8   9.842   0.729   0.360
   60    HA   ASN   8           HA       ASN   8   7.837  -1.178  -0.340
   61   1HB   ASN   8          1HB       ASN   8  10.403  -1.441   0.202
   62   2HB   ASN   8          2HB       ASN   8   9.798  -1.728   1.827
   63   1HD2  ASN   8          2HD2      ASN   8   9.981  -3.067  -1.416
   64   2HD2  ASN   8          1HD2      ASN   8   9.267  -4.562  -1.043
   65    H    ILE   9           H        ILE   9   8.010   1.006   2.242
   66    HA   ILE   9           HA       ILE   9   6.260  -0.658   3.984
   67    HB   ILE   9           HB       ILE   9   7.697   1.965   4.449
   68   1HG1  ILE   9          1HG1      ILE   9   8.076  -0.872   5.431
   69   2HG1  ILE   9          2HG1      ILE   9   9.215   0.106   4.503
   70   1HG2  ILE   9          1HG2      ILE   9   5.849   0.357   6.237
   71   2HG2  ILE   9          2HG2      ILE   9   6.907   1.644   6.820
   72   3HG2  ILE   9          3HG2      ILE   9   5.612   2.014   5.682
   73   1HD1  ILE   9          1HD1      ILE   9   8.974   1.767   6.531
   74   2HD1  ILE   9          2HD1      ILE   9   8.456   0.316   7.392
   75   3HD1  ILE   9          3HD1      ILE   9  10.055   0.380   6.650
   76    H    ILE  10           H        ILE  10   6.118   1.788   1.640
   77    HA   ILE  10           HA       ILE  10   3.461   2.710   2.657
   78    HB   ILE  10           HB       ILE  10   5.524   4.292   1.999
   79   1HG1  ILE  10          1HG1      ILE  10   3.509   5.194   2.898
   80   2HG1  ILE  10          2HG1      ILE  10   3.760   6.033   1.367
   81   1HG2  ILE  10          1HG2      ILE  10   4.082   3.817  -0.618
   82   2HG2  ILE  10          2HG2      ILE  10   5.110   5.213  -0.305
   83   3HG2  ILE  10          3HG2      ILE  10   5.801   3.592  -0.286
   84   1HD1  ILE  10          1HD1      ILE  10   2.267   4.274   0.293
   85   2HD1  ILE  10          2HD1      ILE  10   1.864   3.741   1.925
   86   3HD1  ILE  10          3HD1      ILE  10   1.453   5.375   1.404
   87    H    PHE  11           H        PHE  11   5.190   1.840  -0.309
   88    HA   PHE  11           HA       PHE  11   3.100   1.643  -2.119
   89   1HB   PHE  11          1HB       PHE  11   5.035   1.108  -3.180
   90   2HB   PHE  11          2HB       PHE  11   5.762   0.467  -1.719
   91    HD1  PHE  11           HD1      PHE  11   5.194  -1.864  -0.960
   92    HD2  PHE  11           HD2      PHE  11   4.073  -0.337  -4.811
   93    HE1  PHE  11           HE1      PHE  11   4.831  -4.183  -1.772
   94    HE2  PHE  11           HE2      PHE  11   3.709  -2.654  -5.629
   95    HZ   PHE  11           HZ       PHE  11   4.090  -4.577  -4.106
   96    H    GLY  12           H        GLY  12   4.048  -0.645   0.421
   97   1HA   GLY  12          1HA       GLY  12   2.121  -2.673  -0.316
   98   2HA   GLY  12          2HA       GLY  12   2.957  -2.565   1.236
   99    H    VAL  13           H        VAL  13   2.100   0.087   1.912
  100    HA   VAL  13           HA       VAL  13  -0.417  -0.489   3.150
  101    HB   VAL  13           HB       VAL  13   0.939   2.177   2.632
  102   1HG1  VAL  13          1HG1      VAL  13  -1.573   1.389   4.007
  103   2HG1  VAL  13          2HG1      VAL  13  -0.542   2.530   4.872
  104   3HG1  VAL  13          3HG1      VAL  13  -1.132   2.925   3.258
  105   1HG2  VAL  13          1HG2      VAL  13   2.176   0.413   3.998
  106   2HG2  VAL  13          2HG2      VAL  13   1.868   1.935   4.833
  107   3HG2  VAL  13          3HG2      VAL  13   0.864   0.526   5.171
  108    H    SER  14           H        SER  14   0.436   1.486   0.301
  109    HA   SER  14           HA       SER  14  -2.147   2.428  -0.339
  110   1HB   SER  14          1HB       SER  14   0.123   2.940  -1.483
  111   2HB   SER  14          2HB       SER  14  -0.193   1.502  -2.449
  112    HG   SER  14           HG       SER  14  -1.035   3.309  -3.490
  113    H    TYR  15           H        TYR  15  -0.641  -0.709  -0.947
  114    HA   TYR  15           HA       TYR  15  -2.769  -1.704  -2.641
  115   1HB   TYR  15          1HB       TYR  15  -0.267  -2.563  -2.113
  116   2HB   TYR  15          2HB       TYR  15  -1.166  -3.612  -1.018
  117    HD1  TYR  15           HD1      TYR  15  -0.602  -2.682  -4.540
  118    HD2  TYR  15           HD2      TYR  15  -2.753  -5.256  -1.860
  119    HE1  TYR  15           HE1      TYR  15  -1.273  -4.113  -6.453
  120    HE2  TYR  15           HE2      TYR  15  -3.425  -6.688  -3.770
  121    HH   TYR  15           HH       TYR  15  -2.888  -5.725  -7.065
  122    H    ASP  16           H        ASP  16  -1.863  -2.620   0.711
  123    HA   ASP  16           HA       ASP  16  -4.133  -4.081   1.380
  124   1HB   ASP  16          1HB       ASP  16  -2.658  -2.081   3.124
  125   2HB   ASP  16          2HB       ASP  16  -3.775  -3.306   3.725
  126    H    GLU  17           H        GLU  17  -3.827  -0.649   0.865
  127    HA   GLU  17           HA       GLU  17  -6.561  -0.151   1.899
  128   1HB   GLU  17          1HB       GLU  17  -4.222   1.397   1.798
  129   2HB   GLU  17          2HB       GLU  17  -5.288   2.110   0.586
  130   1HG   GLU  17          1HG       GLU  17  -6.182   3.205   2.373
  131   2HG   GLU  17          2HG       GLU  17  -7.049   1.690   2.624
  132    H    TYR  18           H        TYR  18  -4.840  -0.653  -1.082
  133    HA   TYR  18           HA       TYR  18  -6.957   0.544  -2.735
  134   1HB   TYR  18          1HB       TYR  18  -4.653   0.611  -3.550
  135   2HB   TYR  18          2HB       TYR  18  -4.546  -1.148  -3.465
  136    HD1  TYR  18           HD1      TYR  18  -6.942   1.400  -4.852
  137    HD2  TYR  18           HD2      TYR  18  -4.776  -2.254  -5.495
  138    HE1  TYR  18           HE1      TYR  18  -7.909   1.227  -7.131
  139    HE2  TYR  18           HE2      TYR  18  -5.742  -2.425  -7.772
  140    HH   TYR  18           HH       TYR  18  -6.902  -1.342  -9.361
  141    H    ARG  19           H        ARG  19  -5.703  -2.777  -2.200
  142    HA   ARG  19           HA       ARG  19  -7.739  -4.090  -3.703
  143   1HB   ARG  19          1HB       ARG  19  -5.574  -4.853  -1.964
  144   2HB   ARG  19          2HB       ARG  19  -7.016  -5.773  -1.532
  145   1HG   ARG  19          1HG       ARG  19  -6.749  -5.591  -4.414
  146   2HG   ARG  19          2HG       ARG  19  -5.289  -6.273  -3.696
  147   1HD   ARG  19          1HD       ARG  19  -6.789  -7.834  -2.377
  148   2HD   ARG  19          2HD       ARG  19  -8.134  -7.258  -3.361
  149    HE   ARG  19           HE       ARG  19  -7.377  -8.803  -4.959
  150   1HH1  ARG  19          1HH1      ARG  19  -5.107  -6.965  -5.698
  151   2HH1  ARG  19          2HH1      ARG  19  -3.735  -8.005  -5.511
  152   1HH2  ARG  19          1HH2      ARG  19  -5.448 -10.370  -3.643
  153   2HH2  ARG  19          2HH2      ARG  19  -3.927  -9.930  -4.345
  154    H    TYR  20           H        TYR  20  -7.609  -3.036  -0.326
  155    HA   TYR  20           HA       TYR  20  -9.970  -4.325   0.595
  156   1HB   TYR  20          1HB       TYR  20  -8.558  -3.291   2.222
  157   2HB   TYR  20          2HB       TYR  20  -8.621  -1.736   1.392
  158    HD1  TYR  20           HD1      TYR  20 -10.620  -0.318   1.512
  159    HD2  TYR  20           HD2      TYR  20 -10.422  -4.072   3.591
  160    HE1  TYR  20           HE1      TYR  20 -12.606   0.320   2.853
  161    HE2  TYR  20           HE2      TYR  20 -12.407  -3.432   4.933
  162    HH   TYR  20           HH       TYR  20 -14.173  -1.966   5.017
  163    H    ARG  21           H        ARG  21  -9.495  -1.359  -1.260
  164    HA   ARG  21           HA       ARG  21 -12.202  -0.402  -1.020
  165   1HB   ARG  21          1HB       ARG  21  -9.839   0.548  -2.146
  166   2HB   ARG  21          2HB       ARG  21 -10.889   0.283  -3.539
  167   1HG   ARG  21          1HG       ARG  21 -12.421   1.864  -2.862
  168   2HG   ARG  21          2HG       ARG  21 -12.089   1.608  -1.150
  169   1HD   ARG  21          1HD       ARG  21  -9.797   2.663  -1.586
  170   2HD   ARG  21          2HD       ARG  21 -10.444   3.171  -3.147
  171    HE   ARG  21           HE       ARG  21 -11.001   4.446  -0.645
  172   1HH1  ARG  21          1HH2      ARG  21 -11.432   5.882  -3.157
  173   2HH1  ARG  21          2HH2      ARG  21 -13.158   5.944  -3.295
  174   1HH2  ARG  21          1HH1      ARG  21 -13.699   3.417  -0.985
  175   2HH2  ARG  21          2HH1      ARG  21 -14.440   4.550  -2.065
  176    H    SER  22           H        SER  22 -10.635  -2.759  -3.087
  177    HA   SER  22           HA       SER  22 -12.907  -2.892  -4.947
  178   1HB   SER  22          1HB       SER  22 -10.908  -3.447  -6.030
  179   2HB   SER  22          2HB       SER  22 -10.290  -4.342  -4.644
  180    HG   SER  22           HG       SER  22 -11.625  -5.260  -6.747
  181    H    VAL  23           H        VAL  23 -12.037  -4.262  -1.922
  182    HA   VAL  23           HA       VAL  23 -13.565  -6.727  -2.211
  183    HB   VAL  23           HB       VAL  23 -12.613  -5.298   0.291
  184   1HG1  VAL  23          1HG1      VAL  23 -14.152  -7.744  -0.208
  185   2HG1  VAL  23          2HG1      VAL  23 -12.710  -8.022   0.768
  186   3HG1  VAL  23          3HG1      VAL  23 -13.919  -6.852   1.296
  187   1HG2  VAL  23          1HG2      VAL  23 -10.941  -6.131  -1.577
  188   2HG2  VAL  23          2HG2      VAL  23 -10.611  -6.488   0.120
  189   3HG2  VAL  23          3HG2      VAL  23 -11.320  -7.724  -0.921
  190    H    ILE  24           H        ILE  24 -14.177  -3.468  -1.003
  191    HA   ILE  24           HA       ILE  24 -16.975  -4.273  -0.346
  192    HB   ILE  24           HB       ILE  24 -15.350  -1.825   0.405
  193   1HG1  ILE  24          1HG1      ILE  24 -15.826  -2.742   2.724
  194   2HG1  ILE  24          2HG1      ILE  24 -16.445  -4.196   1.942
  195   1HG2  ILE  24          1HG2      ILE  24 -18.241  -2.287   0.312
  196   2HG2  ILE  24          2HG2      ILE  24 -17.675  -1.834   1.920
  197   3HG2  ILE  24          3HG2      ILE  24 -17.353  -0.781   0.542
  198   1HD1  ILE  24          1HD1      ILE  24 -13.862  -3.431   0.846
  199   2HD1  ILE  24          2HD1      ILE  24 -13.772  -3.671   2.591
  200   3HD1  ILE  24          3HD1      ILE  24 -14.362  -4.968   1.553
  201    H    LYS  25           H        LYS  25 -15.021  -2.393  -2.510
  202    HA   LYS  25           HA       LYS  25 -15.594  -0.876  -4.223
  203   1HB   LYS  25          1HB       LYS  25 -16.097  -3.017  -5.250
  204   2HB   LYS  25          2HB       LYS  25 -17.678  -3.057  -4.473
  205   1HG   LYS  25          1HG       LYS  25 -18.113  -2.294  -6.680
  206   2HG   LYS  25          2HG       LYS  25 -18.137  -0.832  -5.691
  207   1HD   LYS  25          1HD       LYS  25 -15.937  -0.213  -6.380
  208   2HD   LYS  25          2HD       LYS  25 -15.636  -1.800  -7.088
  209   1HE   LYS  25          1HE       LYS  25 -17.971  -0.861  -8.361
  210   2HE   LYS  25          2HE       LYS  25 -16.854   0.520  -8.323
  211   1HZ   LYS  25          1HZ       LYS  25 -16.083  -2.235  -9.127
  212   2HZ   LYS  25          2HZ       LYS  25 -16.460  -0.995 -10.225
  213   3HZ   LYS  25          3HZ       LYS  25 -15.113  -0.842  -9.205
  214    H    ALA  26           H        ALA  26 -18.958  -1.789  -3.955
  215    HA   ALA  26           HA       ALA  26 -19.818   0.937  -3.731
  216   1HB   ALA  26          1HB       ALA  26 -21.163  -1.047  -4.621
  217   2HB   ALA  26          2HB       ALA  26 -21.448  -1.487  -2.938
  218   3HB   ALA  26          3HB       ALA  26 -22.035   0.057  -3.557
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  20.111   0.749   2.204
    2   2H    MET   1          2H        MET   1  20.736  -0.562   1.323
    3   3H    MET   1          3H        MET   1  21.270   1.014   0.991
    4    HA   MET   1           HA       MET   1  19.764   0.941  -0.672
    5   1HB   MET   1          1HB       MET   1  18.941  -1.377   0.997
    6   2HB   MET   1          2HB       MET   1  17.703  -0.722  -0.077
    7   1HG   MET   1          1HG       MET   1  20.002  -0.784  -1.655
    8   2HG   MET   1          2HG       MET   1  20.075  -2.285  -0.733
    9   1HE   MET   1          1HE       MET   1  17.945  -3.225   0.012
   10   2HE   MET   1          2HE       MET   1  16.414  -3.269  -0.872
   11   3HE   MET   1          3HE       MET   1  17.700  -4.402  -1.275
   12    HA   PRO   2           HA       PRO   2  17.244   3.524   2.254
   13   1HB   PRO   2          1HB       PRO   2  18.261   5.955   1.534
   14   2HB   PRO   2          2HB       PRO   2  18.978   4.950   2.809
   15   1HG   PRO   2          1HG       PRO   2  19.878   5.399   0.026
   16   2HG   PRO   2          2HG       PRO   2  20.826   5.085   1.485
   17   1HD   PRO   2          1HD       PRO   2  20.234   3.220  -0.488
   18   2HD   PRO   2          2HD       PRO   2  20.780   2.841   1.158
   19    H    GLY   3           H        GLY   3  15.690   5.323   1.538
   20   1HA   GLY   3          1HA       GLY   3  14.070   6.088   0.021
   21   2HA   GLY   3          2HA       GLY   3  15.351   6.052  -1.193
   22    H    THR   4           H        THR   4  14.839   3.064   0.385
   23    HA   THR   4           HA       THR   4  13.246   2.106  -1.955
   24    HB   THR   4           HB       THR   4  15.838   1.352  -1.199
   25    HG1  THR   4           HG1      THR   4  13.916  -0.034  -2.751
   26   1HG2  THR   4          1HG2      THR   4  13.827  -0.758  -0.370
   27   2HG2  THR   4          2HG2      THR   4  15.524  -1.104  -0.702
   28   3HG2  THR   4          3HG2      THR   4  15.086  -0.032   0.629
   29    H    ILE   5           H        ILE   5  14.008   1.463   1.472
   30    HA   ILE   5           HA       ILE   5  11.771  -0.306   1.878
   31    HB   ILE   5           HB       ILE   5  13.223   1.365   3.950
   32   1HG1  ILE   5          1HG1      ILE   5  14.758   0.007   2.501
   33   2HG1  ILE   5          2HG1      ILE   5  14.749  -0.519   4.183
   34   1HG2  ILE   5          1HG2      ILE   5  11.028  -0.428   4.101
   35   2HG2  ILE   5          2HG2      ILE   5  12.421  -1.275   4.771
   36   3HG2  ILE   5          3HG2      ILE   5  11.931   0.282   5.439
   37   1HD1  ILE   5          1HD1      ILE   5  12.699  -2.009   3.097
   38   2HD1  ILE   5          2HD1      ILE   5  13.863  -1.948   1.773
   39   3HD1  ILE   5          3HD1      ILE   5  14.347  -2.586   3.344
   40    H    LYS   6           H        LYS   6  12.270   3.174   2.550
   41    HA   LYS   6           HA       LYS   6   9.877   3.792   3.822
   42   1HB   LYS   6          1HB       LYS   6  11.873   5.294   2.748
   43   2HB   LYS   6          2HB       LYS   6  10.577   5.625   1.599
   44   1HG   LYS   6          1HG       LYS   6   9.343   5.748   4.110
   45   2HG   LYS   6          2HG       LYS   6  10.888   6.568   4.330
   46   1HD   LYS   6          1HD       LYS   6   9.791   7.372   1.809
   47   2HD   LYS   6          2HD       LYS   6   8.549   7.567   3.045
   48   1HE   LYS   6          1HE       LYS   6   9.926   9.016   4.352
   49   2HE   LYS   6          2HE       LYS   6  11.381   8.578   3.434
   50   1HZ   LYS   6          1HZ       LYS   6   8.980   9.814   2.200
   51   2HZ   LYS   6          2HZ       LYS   6  10.319  10.716   2.730
   52   3HZ   LYS   6          3HZ       LYS   6  10.503   9.577   1.486
   53    H    GLU   7           H        GLU   7  10.410   3.037   0.424
   54    HA   GLU   7           HA       GLU   7   7.754   3.739  -0.467
   55   1HB   GLU   7          1HB       GLU   7   9.746   1.761  -1.621
   56   2HB   GLU   7          2HB       GLU   7   8.308   2.357  -2.449
   57   1HG   GLU   7          1HG       GLU   7  10.016   4.488  -1.357
   58   2HG   GLU   7          2HG       GLU   7  10.795   3.517  -2.606
   59    H    ASN   8           H        ASN   8   9.242   0.522   0.098
   60    HA   ASN   8           HA       ASN   8   6.861  -0.979  -0.075
   61   1HB   ASN   8          1HB       ASN   8   9.029  -2.066   0.012
   62   2HB   ASN   8          2HB       ASN   8   9.282  -1.460   1.642
   63   1HD2  ASN   8          2HD2      ASN   8   8.361  -2.641   3.384
   64   2HD2  ASN   8          1HD2      ASN   8   7.400  -4.024   3.170
   65    H    ILE   9           H        ILE   9   7.895   1.219   2.359
   66    HA   ILE   9           HA       ILE   9   6.012   0.124   4.370
   67    HB   ILE   9           HB       ILE   9   7.746   2.596   4.547
   68   1HG1  ILE   9          1HG1      ILE   9   8.865   0.272   4.056
   69   2HG1  ILE   9          2HG1      ILE   9   9.515   1.295   5.331
   70   1HG2  ILE   9          1HG2      ILE   9   5.993   1.065   6.402
   71   2HG2  ILE   9          2HG2      ILE   9   7.515   1.661   7.063
   72   3HG2  ILE   9          3HG2      ILE   9   6.355   2.791   6.363
   73   1HD1  ILE   9          1HD1      ILE   9   7.434  -0.828   5.876
   74   2HD1  ILE   9          2HD1      ILE   9   9.163  -1.172   5.930
   75   3HD1  ILE   9          3HD1      ILE   9   8.462   0.005   7.041
   76    H    ILE  10           H        ILE  10   6.007   2.321   1.791
   77    HA   ILE  10           HA       ILE  10   3.661   3.773   2.965
   78    HB   ILE  10           HB       ILE  10   5.929   4.911   2.010
   79   1HG1  ILE  10          1HG1      ILE  10   4.205   6.160   3.121
   80   2HG1  ILE  10          2HG1      ILE  10   4.483   6.945   1.566
   81   1HG2  ILE  10          1HG2      ILE  10   5.480   3.929  -0.276
   82   2HG2  ILE  10          2HG2      ILE  10   4.059   4.970  -0.367
   83   3HG2  ILE  10          3HG2      ILE  10   5.667   5.683  -0.251
   84   1HD1  ILE  10          1HD1      ILE  10   2.588   5.296   0.747
   85   2HD1  ILE  10          2HD1      ILE  10   2.157   5.276   2.457
   86   3HD1  ILE  10          3HD1      ILE  10   2.162   6.798   1.567
   87    H    PHE  11           H        PHE  11   5.026   2.155   0.193
   88    HA   PHE  11           HA       PHE  11   2.859   2.306  -1.603
   89   1HB   PHE  11          1HB       PHE  11   5.381   1.128  -1.455
   90   2HB   PHE  11          2HB       PHE  11   4.282  -0.230  -1.603
   91    HD1  PHE  11           HD1      PHE  11   5.151   3.070  -3.081
   92    HD2  PHE  11           HD2      PHE  11   3.289  -0.750  -3.681
   93    HE1  PHE  11           HE1      PHE  11   4.888   3.579  -5.500
   94    HE2  PHE  11           HE2      PHE  11   3.022  -0.246  -6.102
   95    HZ   PHE  11           HZ       PHE  11   3.823   1.920  -7.009
   96    H    GLY  12           H        GLY  12   3.445   0.297   1.220
   97   1HA   GLY  12          1HA       GLY  12   1.284  -1.576   0.681
   98   2HA   GLY  12          2HA       GLY  12   2.120  -1.381   2.226
   99    H    VAL  13           H        VAL  13   1.685   1.315   2.726
  100    HA   VAL  13           HA       VAL  13  -0.879   1.366   3.908
  101    HB   VAL  13           HB       VAL  13   1.101   3.497   3.121
  102   1HG1  VAL  13          1HG1      VAL  13  -1.771   3.869   3.799
  103   2HG1  VAL  13          2HG1      VAL  13  -0.624   4.919   4.632
  104   3HG1  VAL  13          3HG1      VAL  13  -0.689   4.908   2.870
  105   1HG2  VAL  13          1HG2      VAL  13   0.012   2.305   5.670
  106   2HG2  VAL  13          2HG2      VAL  13   1.685   2.379   5.120
  107   3HG2  VAL  13          3HG2      VAL  13   0.875   3.842   5.678
  108    H    SER  14           H        SER  14   0.130   1.938   0.640
  109    HA   SER  14           HA       SER  14  -2.481   3.143  -0.084
  110   1HB   SER  14          1HB       SER  14  -0.057   3.758  -1.019
  111   2HB   SER  14          2HB       SER  14  -0.408   2.433  -2.124
  112    HG   SER  14           HG       SER  14  -2.482   3.567  -2.451
  113    H    TYR  15           H        TYR  15  -0.480   0.291  -0.842
  114    HA   TYR  15           HA       TYR  15  -2.420  -0.976  -2.542
  115   1HB   TYR  15          1HB       TYR  15   0.139  -1.500  -2.030
  116   2HB   TYR  15          2HB       TYR  15  -0.564  -2.611  -0.860
  117    HD1  TYR  15           HD1      TYR  15  -1.700  -1.538  -4.269
  118    HD2  TYR  15           HD2      TYR  15  -0.442  -4.774  -1.740
  119    HE1  TYR  15           HE1      TYR  15  -2.194  -3.151  -6.087
  120    HE2  TYR  15           HE2      TYR  15  -0.937  -6.386  -3.557
  121    HH   TYR  15           HH       TYR  15  -2.064  -6.623  -5.546
  122    H    ASP  16           H        ASP  16  -1.525  -1.676   0.859
  123    HA   ASP  16           HA       ASP  16  -3.580  -3.489   1.453
  124   1HB   ASP  16          1HB       ASP  16  -2.464  -1.300   3.241
  125   2HB   ASP  16          2HB       ASP  16  -3.402  -2.684   3.802
  126    H    GLU  17           H        GLU  17  -3.715  -0.076   0.860
  127    HA   GLU  17           HA       GLU  17  -6.488   0.151   1.862
  128   1HB   GLU  17          1HB       GLU  17  -4.714   1.996   2.095
  129   2HB   GLU  17          2HB       GLU  17  -4.903   2.247   0.360
  130   1HG   GLU  17          1HG       GLU  17  -7.364   2.160   2.065
  131   2HG   GLU  17          2HG       GLU  17  -6.377   3.622   2.081
  132    H    TYR  18           H        TYR  18  -4.709  -0.329  -1.096
  133    HA   TYR  18           HA       TYR  18  -6.943   0.413  -2.838
  134   1HB   TYR  18          1HB       TYR  18  -4.214   0.079  -3.201
  135   2HB   TYR  18          2HB       TYR  18  -4.898  -1.340  -3.996
  136    HD1  TYR  18           HD1      TYR  18  -5.411   2.366  -3.721
  137    HD2  TYR  18           HD2      TYR  18  -5.713  -1.146  -6.177
  138    HE1  TYR  18           HE1      TYR  18  -6.096   3.771  -5.646
  139    HE2  TYR  18           HE2      TYR  18  -6.397   0.259  -8.102
  140    HH   TYR  18           HH       TYR  18  -6.730   2.323  -8.844
  141    H    ARG  19           H        ARG  19  -5.446  -2.623  -1.716
  142    HA   ARG  19           HA       ARG  19  -7.232  -4.347  -3.174
  143   1HB   ARG  19          1HB       ARG  19  -5.712  -4.907  -0.608
  144   2HB   ARG  19          2HB       ARG  19  -6.402  -6.118  -1.689
  145   1HG   ARG  19          1HG       ARG  19  -4.866  -5.615  -3.419
  146   2HG   ARG  19          2HG       ARG  19  -4.407  -4.081  -2.679
  147   1HD   ARG  19          1HD       ARG  19  -2.751  -5.105  -1.559
  148   2HD   ARG  19          2HD       ARG  19  -3.926  -6.160  -0.778
  149    HE   ARG  19           HE       ARG  19  -3.325  -7.052  -3.468
  150   1HH1  ARG  19          1HH1      ARG  19  -1.777  -6.661  -0.438
  151   2HH1  ARG  19          2HH1      ARG  19  -1.032  -8.224  -0.454
  152   1HH2  ARG  19          1HH2      ARG  19  -2.562  -9.215  -3.405
  153   2HH2  ARG  19          2HH2      ARG  19  -1.479  -9.671  -2.133
  154    H    TYR  20           H        TYR  20  -7.585  -2.497  -0.274
  155    HA   TYR  20           HA       TYR  20  -9.717  -4.116   0.872
  156   1HB   TYR  20          1HB       TYR  20  -8.465  -2.714   2.375
  157   2HB   TYR  20          2HB       TYR  20  -8.779  -1.283   1.391
  158    HD1  TYR  20           HD1      TYR  20 -10.684  -4.026   3.110
  159    HD2  TYR  20           HD2      TYR  20 -10.502   0.135   2.056
  160    HE1  TYR  20           HE1      TYR  20 -12.783  -3.617   4.365
  161    HE2  TYR  20           HE2      TYR  20 -12.601   0.543   3.312
  162    HH   TYR  20           HH       TYR  20 -13.825  -0.598   5.269
  163    H    ARG  21           H        ARG  21  -9.522  -1.410  -1.370
  164    HA   ARG  21           HA       ARG  21 -12.433  -0.983  -1.302
  165   1HB   ARG  21          1HB       ARG  21 -10.284   0.628  -1.943
  166   2HB   ARG  21          2HB       ARG  21 -10.937   0.216  -3.529
  167   1HG   ARG  21          1HG       ARG  21 -13.161   0.966  -2.844
  168   2HG   ARG  21          2HG       ARG  21 -12.569   1.303  -1.218
  169   1HD   ARG  21          1HD       ARG  21 -10.852   2.622  -3.091
  170   2HD   ARG  21          2HD       ARG  21 -12.522   3.027  -3.487
  171    HE   ARG  21           HE       ARG  21 -11.169   3.628  -0.910
  172   1HH1  ARG  21          1HH1      ARG  21 -14.054   2.982  -0.483
  173   2HH1  ARG  21          2HH1      ARG  21 -14.810   4.528  -0.675
  174   1HH2  ARG  21          1HH2      ARG  21 -12.078   5.966  -2.251
  175   2HH2  ARG  21          2HH2      ARG  21 -13.691   6.218  -1.674
  176    H    SER  22           H        SER  22 -10.013  -2.357  -3.513
  177    HA   SER  22           HA       SER  22 -11.892  -2.936  -5.621
  178   1HB   SER  22          1HB       SER  22  -9.461  -2.831  -6.023
  179   2HB   SER  22          2HB       SER  22  -9.225  -4.233  -4.984
  180    HG   SER  22           HG       SER  22  -9.637  -4.301  -7.513
  181    H    VAL  23           H        VAL  23 -10.827  -4.701  -2.754
  182    HA   VAL  23           HA       VAL  23 -12.064  -7.206  -3.548
  183    HB   VAL  23           HB       VAL  23 -10.200  -6.967  -1.852
  184   1HG1  VAL  23          1HG1      VAL  23 -11.280  -5.001  -0.694
  185   2HG1  VAL  23          2HG1      VAL  23 -12.465  -6.121  -0.026
  186   3HG1  VAL  23          3HG1      VAL  23 -10.763  -6.284   0.399
  187   1HG2  VAL  23          1HG2      VAL  23 -12.741  -8.490  -1.444
  188   2HG2  VAL  23          2HG2      VAL  23 -11.114  -9.092  -1.762
  189   3HG2  VAL  23          3HG2      VAL  23 -11.545  -8.526  -0.148
  190    H    ILE  24           H        ILE  24 -13.018  -4.564  -1.334
  191    HA   ILE  24           HA       ILE  24 -15.812  -5.607  -1.531
  192    HB   ILE  24           HB       ILE  24 -14.430  -4.320   0.839
  193   1HG1  ILE  24          1HG1      ILE  24 -15.848  -6.796   1.309
  194   2HG1  ILE  24          2HG1      ILE  24 -14.693  -7.002  -0.009
  195   1HG2  ILE  24          1HG2      ILE  24 -17.309  -4.719   0.148
  196   2HG2  ILE  24          2HG2      ILE  24 -16.822  -5.043   1.812
  197   3HG2  ILE  24          3HG2      ILE  24 -16.553  -3.448   1.108
  198   1HD1  ILE  24          1HD1      ILE  24 -13.130  -5.624   1.670
  199   2HD1  ILE  24          2HD1      ILE  24 -14.202  -6.362   2.860
  200   3HD1  ILE  24          3HD1      ILE  24 -13.272  -7.380   1.759
  201    H    LYS  25           H        LYS  25 -14.799  -3.790  -3.386
  202    HA   LYS  25           HA       LYS  25 -14.942  -1.065  -2.907
  203   1HB   LYS  25          1HB       LYS  25 -15.153  -2.767  -5.177
  204   2HB   LYS  25          2HB       LYS  25 -16.474  -1.605  -5.273
  205   1HG   LYS  25          1HG       LYS  25 -14.153  -0.191  -4.414
  206   2HG   LYS  25          2HG       LYS  25 -13.696  -1.172  -5.808
  207   1HD   LYS  25          1HD       LYS  25 -16.274  -0.005  -6.297
  208   2HD   LYS  25          2HD       LYS  25 -15.153   1.266  -5.808
  209   1HE   LYS  25          1HE       LYS  25 -13.833   1.008  -7.680
  210   2HE   LYS  25          2HE       LYS  25 -14.135  -0.739  -7.775
  211   1HZ   LYS  25          1HZ       LYS  25 -16.215   1.319  -8.275
  212   2HZ   LYS  25          2HZ       LYS  25 -15.306   0.592  -9.511
  213   3HZ   LYS  25          3HZ       LYS  25 -16.334  -0.353  -8.550
  214    H    ALA  26           H        ALA  26 -17.583  -3.379  -2.911
  215    HA   ALA  26           HA       ALA  26 -19.321  -1.419  -1.612
  216   1HB   ALA  26          1HB       ALA  26 -19.445  -1.705  -4.450
  217   2HB   ALA  26          2HB       ALA  26 -20.899  -2.438  -3.773
  218   3HB   ALA  26          3HB       ALA  26 -20.507  -0.758  -3.407
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  20.147   6.219  -4.219
    2   2H    MET   1          2H        MET   1  19.920   5.187  -5.545
    3   3H    MET   1          3H        MET   1  20.128   6.855  -5.795
    4    HA   MET   1           HA       MET   1  18.007   7.385  -5.095
    5   1HB   MET   1          1HB       MET   1  18.314   4.813  -6.579
    6   2HB   MET   1          2HB       MET   1  16.684   5.258  -6.071
    7   1HG   MET   1          1HG       MET   1  17.299   7.601  -7.073
    8   2HG   MET   1          2HG       MET   1  18.537   6.700  -7.948
    9   1HE   MET   1          1HE       MET   1  16.839   8.125  -9.756
   10   2HE   MET   1          2HE       MET   1  15.215   7.563 -10.141
   11   3HE   MET   1          3HE       MET   1  15.543   8.329  -8.582
   12    HA   PRO   2           HA       PRO   2  17.599   5.170  -1.136
   13   1HB   PRO   2          1HB       PRO   2  16.520   7.305   0.193
   14   2HB   PRO   2          2HB       PRO   2  18.267   7.092  -0.032
   15   1HG   PRO   2          1HG       PRO   2  16.368   8.840  -1.513
   16   2HG   PRO   2          2HG       PRO   2  18.040   9.151  -1.018
   17   1HD   PRO   2          1HD       PRO   2  17.315   8.457  -3.560
   18   2HD   PRO   2          2HD       PRO   2  18.914   8.117  -2.860
   19    H    GLY   3           H        GLY   3  15.441   5.364   0.395
   20   1HA   GLY   3          1HA       GLY   3  13.053   5.358   0.495
   21   2HA   GLY   3          2HA       GLY   3  13.002   5.691  -1.236
   22    H    THR   4           H        THR   4  14.449   3.085   0.755
   23    HA   THR   4           HA       THR   4  13.207   1.148  -1.148
   24    HB   THR   4           HB       THR   4  15.837   1.374  -0.470
   25    HG1  THR   4           HG1      THR   4  15.808  -0.983  -1.062
   26   1HG2  THR   4          1HG2      THR   4  14.644  -0.697   1.394
   27   2HG2  THR   4          2HG2      THR   4  16.361  -0.572   1.014
   28   3HG2  THR   4          3HG2      THR   4  15.549   0.745   1.857
   29    H    ILE   5           H        ILE   5  13.956   1.593   2.310
   30    HA   ILE   5           HA       ILE   5  12.057  -0.515   3.063
   31    HB   ILE   5           HB       ILE   5  13.593   1.477   4.758
   32   1HG1  ILE   5          1HG1      ILE   5  14.108  -1.463   4.212
   33   2HG1  ILE   5          2HG1      ILE   5  14.981  -0.141   3.438
   34   1HG2  ILE   5          1HG2      ILE   5  11.525   0.551   5.824
   35   2HG2  ILE   5          2HG2      ILE   5  12.158  -1.072   5.559
   36   3HG2  ILE   5          3HG2      ILE   5  13.004   0.039   6.635
   37   1HD1  ILE   5          1HD1      ILE   5  14.812  -0.407   6.444
   38   2HD1  ILE   5          2HD1      ILE   5  16.090  -1.179   5.504
   39   3HD1  ILE   5          3HD1      ILE   5  15.931   0.576   5.500
   40    H    LYS   6           H        LYS   6  12.257   3.039   3.416
   41    HA   LYS   6           HA       LYS   6   9.872   3.522   4.781
   42   1HB   LYS   6          1HB       LYS   6  11.637   5.189   3.815
   43   2HB   LYS   6          2HB       LYS   6  10.603   5.196   2.387
   44   1HG   LYS   6          1HG       LYS   6   8.657   5.709   3.951
   45   2HG   LYS   6          2HG       LYS   6   9.861   5.992   5.209
   46   1HD   LYS   6          1HD       LYS   6  10.079   7.371   2.540
   47   2HD   LYS   6          2HD       LYS   6   9.049   8.029   3.812
   48   1HE   LYS   6          1HE       LYS   6  11.313   7.545   5.245
   49   2HE   LYS   6          2HE       LYS   6  12.010   7.929   3.658
   50   1HZ   LYS   6          1HZ       LYS   6  10.273   9.805   3.656
   51   2HZ   LYS   6          2HZ       LYS   6  10.219   9.570   5.334
   52   3HZ   LYS   6          3HZ       LYS   6  11.678  10.011   4.586
   53    H    GLU   7           H        GLU   7  10.333   2.745   1.361
   54    HA   GLU   7           HA       GLU   7   7.466   3.003   0.787
   55   1HB   GLU   7          1HB       GLU   7   8.038   2.441  -1.454
   56   2HB   GLU   7          2HB       GLU   7   9.363   3.434  -0.861
   57   1HG   GLU   7          1HG       GLU   7  10.744   1.499  -0.463
   58   2HG   GLU   7          2HG       GLU   7   9.398   0.410  -0.799
   59    H    ASN   8           H        ASN   8   9.815   0.427   1.376
   60    HA   ASN   8           HA       ASN   8   8.001  -1.738   0.819
   61   1HB   ASN   8          1HB       ASN   8  10.378  -2.164   0.841
   62   2HB   ASN   8          2HB       ASN   8  10.489  -1.595   2.499
   63   1HD2  ASN   8          2HD2      ASN   8  10.495  -3.251   4.025
   64   2HD2  ASN   8          1HD2      ASN   8   9.778  -4.774   3.808
   65    H    ILE   9           H        ILE   9   8.022   0.595   3.222
   66    HA   ILE   9           HA       ILE   9   6.701  -1.204   5.209
   67    HB   ILE   9           HB       ILE   9   7.822   1.595   5.459
   68   1HG1  ILE   9          1HG1      ILE   9   8.635  -1.111   6.550
   69   2HG1  ILE   9          2HG1      ILE   9   9.534  -0.126   5.398
   70   1HG2  ILE   9          1HG2      ILE   9   6.225  -0.137   7.348
   71   2HG2  ILE   9          2HG2      ILE   9   7.326   1.101   7.951
   72   3HG2  ILE   9          3HG2      ILE   9   5.964   1.555   6.930
   73   1HD1  ILE   9          1HD1      ILE   9   9.736   1.658   7.099
   74   2HD1  ILE   9          2HD1      ILE   9   8.890   0.631   8.256
   75   3HD1  ILE   9          3HD1      ILE   9  10.473   0.149   7.641
   76    H    ILE  10           H        ILE  10   6.056   1.070   2.792
   77    HA   ILE  10           HA       ILE  10   3.392   1.717   3.984
   78    HB   ILE  10           HB       ILE  10   5.252   3.436   2.893
   79   1HG1  ILE  10          1HG1      ILE  10   3.356   4.082   4.284
   80   2HG1  ILE  10          2HG1      ILE  10   3.364   5.061   2.817
   81   1HG2  ILE  10          1HG2      ILE  10   4.893   2.539   0.618
   82   2HG2  ILE  10          2HG2      ILE  10   3.173   2.903   0.749
   83   3HG2  ILE  10          3HG2      ILE  10   4.353   4.213   0.738
   84   1HD1  ILE  10          1HD1      ILE  10   1.817   3.138   1.887
   85   2HD1  ILE  10          2HD1      ILE  10   1.516   2.830   3.596
   86   3HD1  ILE  10          3HD1      ILE  10   1.131   4.405   2.904
   87    H    PHE  11           H        PHE  11   5.035   0.711   1.013
   88    HA   PHE  11           HA       PHE  11   2.947   0.156  -0.693
   89   1HB   PHE  11          1HB       PHE  11   4.890  -0.465  -1.698
   90   2HB   PHE  11          2HB       PHE  11   5.650  -0.880  -0.173
   91    HD1  PHE  11           HD1      PHE  11   3.249  -2.126  -2.728
   92    HD2  PHE  11           HD2      PHE  11   5.855  -3.118   0.534
   93    HE1  PHE  11           HE1      PHE  11   2.928  -4.543  -3.213
   94    HE2  PHE  11           HE2      PHE  11   5.538  -5.535   0.055
   95    HZ   PHE  11           HZ       PHE  11   4.074  -6.246  -1.819
   96    H    GLY  12           H        GLY  12   3.854  -1.535   2.251
   97   1HA   GLY  12          1HA       GLY  12   1.989  -3.748   1.790
   98   2HA   GLY  12          2HA       GLY  12   2.910  -3.459   3.268
   99    H    VAL  13           H        VAL  13   2.053  -0.717   3.607
  100    HA   VAL  13           HA       VAL  13  -0.523  -1.231   4.893
  101    HB   VAL  13           HB       VAL  13   1.071   1.337   4.622
  102   1HG1  VAL  13          1HG1      VAL  13  -1.558   0.713   5.724
  103   2HG1  VAL  13          2HG1      VAL  13  -0.480   1.398   6.941
  104   3HG1  VAL  13          3HG1      VAL  13  -0.804   2.285   5.450
  105   1HG2  VAL  13          1HG2      VAL  13   1.166  -0.993   6.482
  106   2HG2  VAL  13          2HG2      VAL  13   2.469   0.068   5.941
  107   3HG2  VAL  13          3HG2      VAL  13   1.352   0.611   7.194
  108    H    SER  14           H        SER  14   0.605   0.129   1.906
  109    HA   SER  14           HA       SER  14  -1.928   1.532   1.366
  110   1HB   SER  14          1HB       SER  14   0.546   2.076   0.519
  111   2HB   SER  14          2HB       SER  14   0.082   0.983  -0.782
  112    HG   SER  14           HG       SER  14  -1.718   2.971   0.021
  113    H    TYR  15           H        TYR  15  -0.223  -1.394   0.267
  114    HA   TYR  15           HA       TYR  15  -2.124  -2.181  -1.712
  115   1HB   TYR  15          1HB       TYR  15   0.243  -3.168  -1.000
  116   2HB   TYR  15          2HB       TYR  15  -0.759  -4.251  -0.040
  117    HD1  TYR  15           HD1      TYR  15  -1.256  -2.695  -3.420
  118    HD2  TYR  15           HD2      TYR  15  -0.913  -6.309  -1.126
  119    HE1  TYR  15           HE1      TYR  15  -1.777  -4.030  -5.445
  120    HE2  TYR  15           HE2      TYR  15  -1.433  -7.644  -3.149
  121    HH   TYR  15           HH       TYR  15  -2.865  -6.892  -5.528
  122    H    ASP  16           H        ASP  16  -1.769  -3.308   1.665
  123    HA   ASP  16           HA       ASP  16  -4.117  -4.837   1.835
  124   1HB   ASP  16          1HB       ASP  16  -2.386  -3.410   3.742
  125   2HB   ASP  16          2HB       ASP  16  -4.055  -3.570   4.291
  126    H    GLU  17           H        GLU  17  -3.701  -1.405   1.598
  127    HA   GLU  17           HA       GLU  17  -6.535  -0.876   2.277
  128   1HB   GLU  17          1HB       GLU  17  -4.093   0.638   2.336
  129   2HB   GLU  17          2HB       GLU  17  -5.236   1.450   1.267
  130   1HG   GLU  17          1HG       GLU  17  -5.996   0.468   4.026
  131   2HG   GLU  17          2HG       GLU  17  -5.390   2.098   3.727
  132    H    TYR  18           H        TYR  18  -4.427  -1.294  -0.459
  133    HA   TYR  18           HA       TYR  18  -6.168   0.035  -2.382
  134   1HB   TYR  18          1HB       TYR  18  -3.828  -1.865  -2.644
  135   2HB   TYR  18          2HB       TYR  18  -4.719  -1.271  -4.044
  136    HD1  TYR  18           HD1      TYR  18  -4.768   1.118  -1.401
  137    HD2  TYR  18           HD2      TYR  18  -2.308  -0.389  -4.583
  138    HE1  TYR  18           HE1      TYR  18  -3.436   3.209  -1.361
  139    HE2  TYR  18           HE2      TYR  18  -0.975   1.701  -4.544
  140    HH   TYR  18           HH       TYR  18  -0.453   3.519  -3.041
  141    H    ARG  19           H        ARG  19  -5.333  -3.423  -1.904
  142    HA   ARG  19           HA       ARG  19  -7.391  -4.428  -3.590
  143   1HB   ARG  19          1HB       ARG  19  -5.647  -5.547  -1.453
  144   2HB   ARG  19          2HB       ARG  19  -7.099  -6.466  -1.854
  145   1HG   ARG  19          1HG       ARG  19  -5.952  -5.624  -4.311
  146   2HG   ARG  19          2HG       ARG  19  -4.642  -6.278  -3.330
  147   1HD   ARG  19          1HD       ARG  19  -5.446  -8.396  -3.463
  148   2HD   ARG  19          2HD       ARG  19  -7.111  -7.870  -3.211
  149    HE   ARG  19           HE       ARG  19  -5.724  -7.836  -5.859
  150   1HH1  ARG  19          1HH1      ARG  19  -8.206  -9.310  -4.271
  151   2HH1  ARG  19          2HH1      ARG  19  -9.456  -8.867  -5.384
  152   1HH2  ARG  19          1HH2      ARG  19  -7.474  -6.618  -7.128
  153   2HH2  ARG  19          2HH2      ARG  19  -9.043  -7.342  -7.000
  154    H    TYR  20           H        TYR  20  -7.526  -3.059  -0.434
  155    HA   TYR  20           HA       TYR  20 -10.017  -4.360   0.357
  156   1HB   TYR  20          1HB       TYR  20  -8.449  -3.519   2.057
  157   2HB   TYR  20          2HB       TYR  20  -8.635  -1.881   1.430
  158    HD1  TYR  20           HD1      TYR  20 -10.939  -4.704   2.351
  159    HD2  TYR  20           HD2      TYR  20 -10.010  -0.527   2.716
  160    HE1  TYR  20           HE1      TYR  20 -12.938  -4.385   3.786
  161    HE2  TYR  20           HE2      TYR  20 -12.006  -0.208   4.150
  162    HH   TYR  20           HH       TYR  20 -13.415  -2.072   5.775
  163    H    ARG  21           H        ARG  21  -9.220  -0.957  -0.436
  164    HA   ARG  21           HA       ARG  21 -11.818   0.041  -0.650
  165   1HB   ARG  21          1HB       ARG  21  -9.777   1.429  -0.876
  166   2HB   ARG  21          2HB       ARG  21  -9.474   0.709  -2.458
  167   1HG   ARG  21          1HG       ARG  21 -12.186   1.632  -2.383
  168   2HG   ARG  21          2HG       ARG  21 -11.131   2.939  -1.849
  169   1HD   ARG  21          1HD       ARG  21 -10.595   1.313  -4.344
  170   2HD   ARG  21          2HD       ARG  21 -11.512   2.819  -4.359
  171    HE   ARG  21           HE       ARG  21  -9.127   3.428  -3.031
  172   1HH1  ARG  21          1HH2      ARG  21  -9.977   4.685  -5.631
  173   2HH1  ARG  21          2HH2      ARG  21  -8.685   4.221  -6.688
  174   1HH2  ARG  21          1HH1      ARG  21  -7.502   1.730  -4.588
  175   2HH2  ARG  21          2HH1      ARG  21  -7.284   2.550  -6.098
  176    H    SER  22           H        SER  22  -9.965  -1.811  -3.030
  177    HA   SER  22           HA       SER  22 -11.706  -1.552  -5.246
  178   1HB   SER  22          1HB       SER  22  -9.450  -2.667  -5.263
  179   2HB   SER  22          2HB       SER  22 -10.185  -4.055  -4.465
  180    HG   SER  22           HG       SER  22 -11.179  -4.573  -6.269
  181    H    VAL  23           H        VAL  23 -11.840  -3.828  -2.505
  182    HA   VAL  23           HA       VAL  23 -14.153  -5.237  -3.538
  183    HB   VAL  23           HB       VAL  23 -12.429  -6.006  -1.746
  184   1HG1  VAL  23          1HG1      VAL  23 -13.428  -3.839  -0.366
  185   2HG1  VAL  23          2HG1      VAL  23 -14.320  -5.182   0.345
  186   3HG1  VAL  23          3HG1      VAL  23 -12.557  -5.186   0.361
  187   1HG2  VAL  23          1HG2      VAL  23 -14.475  -7.249  -2.490
  188   2HG2  VAL  23          2HG2      VAL  23 -14.072  -7.529  -0.796
  189   3HG2  VAL  23          3HG2      VAL  23 -15.385  -6.431  -1.221
  190    H    ILE  24           H        ILE  24 -13.666  -2.354  -1.640
  191    HA   ILE  24           HA       ILE  24 -16.533  -2.204  -0.921
  192    HB   ILE  24           HB       ILE  24 -14.476  -0.052  -0.433
  193   1HG1  ILE  24          1HG1      ILE  24 -13.423  -2.093   0.352
  194   2HG1  ILE  24          2HG1      ILE  24 -14.039  -1.222   1.757
  195   1HG2  ILE  24          1HG2      ILE  24 -17.068   0.049   0.032
  196   2HG2  ILE  24          2HG2      ILE  24 -16.655  -0.943   1.430
  197   3HG2  ILE  24          3HG2      ILE  24 -15.937   0.656   1.240
  198   1HD1  ILE  24          1HD1      ILE  24 -16.114  -2.636   1.640
  199   2HD1  ILE  24          2HD1      ILE  24 -15.341  -3.580   0.366
  200   3HD1  ILE  24          3HD1      ILE  24 -14.651  -3.557   1.990
  201    H    LYS  25           H        LYS  25 -14.826  -1.613  -3.656
  202    HA   LYS  25           HA       LYS  25 -16.006   0.998  -4.326
  203   1HB   LYS  25          1HB       LYS  25 -13.708  -0.056  -5.120
  204   2HB   LYS  25          2HB       LYS  25 -14.723  -0.788  -6.363
  205   1HG   LYS  25          1HG       LYS  25 -15.002   2.145  -5.795
  206   2HG   LYS  25          2HG       LYS  25 -13.646   1.585  -6.773
  207   1HD   LYS  25          1HD       LYS  25 -15.198   0.459  -8.312
  208   2HD   LYS  25          2HD       LYS  25 -16.565   0.979  -7.327
  209   1HE   LYS  25          1HE       LYS  25 -16.605   2.977  -8.391
  210   2HE   LYS  25          2HE       LYS  25 -14.905   3.262  -7.970
  211   1HZ   LYS  25          1HZ       LYS  25 -14.288   1.728  -9.783
  212   2HZ   LYS  25          2HZ       LYS  25 -15.923   1.637 -10.241
  213   3HZ   LYS  25          3HZ       LYS  25 -15.094   3.114 -10.347
  214    H    ALA  26           H        ALA  26 -16.326  -2.382  -5.447
  215    HA   ALA  26           HA       ALA  26 -18.052  -3.410  -6.664
  216   1HB   ALA  26          1HB       ALA  26 -19.152  -2.388  -4.438
  217   2HB   ALA  26          2HB       ALA  26 -20.023  -1.425  -5.631
  218   3HB   ALA  26          3HB       ALA  26 -20.121  -3.185  -5.677
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  16.744   0.419  -5.279
    2   2H    MET   1          2H        MET   1  17.323   0.521  -6.873
    3   3H    MET   1          3H        MET   1  18.322   0.972  -5.580
    4    HA   MET   1           HA       MET   1  17.579   3.003  -6.473
    5   1HB   MET   1          1HB       MET   1  15.409   1.241  -7.172
    6   2HB   MET   1          2HB       MET   1  14.755   2.699  -6.424
    7   1HG   MET   1          1HG       MET   1  15.304   3.977  -8.204
    8   2HG   MET   1          2HG       MET   1  16.922   3.283  -8.298
    9   1HE   MET   1          1HE       MET   1  17.001   3.537 -10.578
   10   2HE   MET   1          2HE       MET   1  17.589   1.870 -10.504
   11   3HE   MET   1          3HE       MET   1  16.449   2.352 -11.759
   12    HA   PRO   2           HA       PRO   2  16.767   4.126  -2.278
   13   1HB   PRO   2          1HB       PRO   2  16.713   6.839  -2.635
   14   2HB   PRO   2          2HB       PRO   2  18.216   5.895  -2.640
   15   1HG   PRO   2          1HG       PRO   2  16.655   6.978  -4.927
   16   2HG   PRO   2          2HG       PRO   2  18.408   6.848  -4.714
   17   1HD   PRO   2          1HD       PRO   2  16.922   5.130  -6.242
   18   2HD   PRO   2          2HD       PRO   2  18.470   4.699  -5.483
   19    H    GLY   3           H        GLY   3  15.044   5.332  -1.042
   20   1HA   GLY   3          1HA       GLY   3  12.832   6.087  -0.716
   21   2HA   GLY   3          2HA       GLY   3  12.688   6.285  -2.463
   22    H    THR   4           H        THR   4  13.487   3.364  -0.583
   23    HA   THR   4           HA       THR   4  11.027   2.113  -1.737
   24    HB   THR   4           HB       THR   4  13.598   1.431  -2.382
   25    HG1  THR   4           HG1      THR   4  11.256  -0.140  -2.228
   26   1HG2  THR   4          1HG2      THR   4  12.726  -0.431  -0.156
   27   2HG2  THR   4          2HG2      THR   4  14.049  -0.755  -1.275
   28   3HG2  THR   4          3HG2      THR   4  14.153   0.605  -0.155
   29    H    ILE   5           H        ILE   5  13.379   1.955   0.931
   30    HA   ILE   5           HA       ILE   5  11.923   0.211   2.625
   31    HB   ILE   5           HB       ILE   5  13.796   2.502   3.277
   32   1HG1  ILE   5          1HG1      ILE   5  14.906   0.026   3.964
   33   2HG1  ILE   5          2HG1      ILE   5  14.097  -0.268   2.424
   34   1HG2  ILE   5          1HG2      ILE   5  12.366   0.520   5.031
   35   2HG2  ILE   5          2HG2      ILE   5  13.963   1.113   5.489
   36   3HG2  ILE   5          3HG2      ILE   5  12.625   2.244   5.290
   37   1HD1  ILE   5          1HD1      ILE   5  16.032   2.006   2.953
   38   2HD1  ILE   5          2HD1      ILE   5  16.442   0.508   2.118
   39   3HD1  ILE   5          3HD1      ILE   5  15.271   1.622   1.409
   40    H    LYS   6           H        LYS   6  11.928   3.785   2.560
   41    HA   LYS   6           HA       LYS   6  10.033   4.297   4.543
   42   1HB   LYS   6          1HB       LYS   6  11.300   5.915   2.885
   43   2HB   LYS   6          2HB       LYS   6   9.826   5.763   1.928
   44   1HG   LYS   6          1HG       LYS   6   9.268   6.209   4.763
   45   2HG   LYS   6          2HG       LYS   6  10.208   7.521   4.047
   46   1HD   LYS   6          1HD       LYS   6   8.522   8.135   2.614
   47   2HD   LYS   6          2HD       LYS   6   7.921   6.485   2.449
   48   1HE   LYS   6          1HE       LYS   6   6.718   6.589   4.486
   49   2HE   LYS   6          2HE       LYS   6   7.635   7.999   5.051
   50   1HZ   LYS   6          1HZ       LYS   6   5.887   7.961   2.649
   51   2HZ   LYS   6          2HZ       LYS   6   5.447   8.619   4.149
   52   3HZ   LYS   6          3HZ       LYS   6   6.723   9.306   3.263
   53    H    GLU   7           H        GLU   7   9.526   3.150   1.245
   54    HA   GLU   7           HA       GLU   7   6.637   3.309   1.345
   55   1HB   GLU   7          1HB       GLU   7   8.206   1.330  -0.316
   56   2HB   GLU   7          2HB       GLU   7   6.669   2.107  -0.695
   57   1HG   GLU   7          1HG       GLU   7   8.277   4.287  -0.367
   58   2HG   GLU   7          2HG       GLU   7   9.426   3.122  -1.026
   59    H    ASN   8           H        ASN   8   9.002   0.702   1.906
   60    HA   ASN   8           HA       ASN   8   7.265  -1.416   2.454
   61   1HB   ASN   8          1HB       ASN   8   9.595  -1.868   2.473
   62   2HB   ASN   8          2HB       ASN   8   9.882  -0.641   3.698
   63   1HD2  ASN   8          2HD2      ASN   8   7.628  -3.451   3.451
   64   2HD2  ASN   8          1HD2      ASN   8   8.018  -4.081   4.978
   65    H    ILE   9           H        ILE   9   7.745   1.519   4.225
   66    HA   ILE   9           HA       ILE   9   6.413   0.431   6.638
   67    HB   ILE   9           HB       ILE   9   7.327   3.268   6.142
   68   1HG1  ILE   9          1HG1      ILE   9   8.823   0.816   7.089
   69   2HG1  ILE   9          2HG1      ILE   9   9.280   1.945   5.813
   70   1HG2  ILE   9          1HG2      ILE   9   5.732   2.498   8.084
   71   2HG2  ILE   9          2HG2      ILE   9   7.205   1.816   8.774
   72   3HG2  ILE   9          3HG2      ILE   9   7.101   3.547   8.457
   73   1HD1  ILE   9          1HD1      ILE   9   8.980   3.544   8.081
   74   2HD1  ILE   9          2HD1      ILE   9   9.792   2.093   8.670
   75   3HD1  ILE   9          3HD1      ILE   9  10.503   3.031   7.355
   76    H    ILE  10           H        ILE  10   5.596   2.004   3.721
   77    HA   ILE  10           HA       ILE  10   2.924   2.692   4.884
   78    HB   ILE  10           HB       ILE  10   4.741   4.513   3.808
   79   1HG1  ILE  10          1HG1      ILE  10   2.986   5.189   5.273
   80   2HG1  ILE  10          2HG1      ILE  10   2.672   6.018   3.748
   81   1HG2  ILE  10          1HG2      ILE  10   2.651   3.813   1.729
   82   2HG2  ILE  10          2HG2      ILE  10   3.551   5.330   1.742
   83   3HG2  ILE  10          3HG2      ILE  10   4.403   3.802   1.526
   84   1HD1  ILE  10          1HD1      ILE  10   1.186   3.991   3.162
   85   2HD1  ILE  10          2HD1      ILE  10   1.280   3.587   4.876
   86   3HD1  ILE  10          3HD1      ILE  10   0.568   5.119   4.370
   87    H    PHE  11           H        PHE  11   4.642   1.986   1.854
   88    HA   PHE  11           HA       PHE  11   2.532   1.240   0.212
   89   1HB   PHE  11          1HB       PHE  11   4.538   1.136  -0.898
   90   2HB   PHE  11          2HB       PHE  11   5.399   0.513   0.502
   91    HD1  PHE  11           HD1      PHE  11   2.827  -0.497  -2.019
   92    HD2  PHE  11           HD2      PHE  11   6.011  -1.732   0.580
   93    HE1  PHE  11           HE1      PHE  11   2.709  -2.789  -2.971
   94    HE2  PHE  11           HE2      PHE  11   5.898  -4.026  -0.368
   95    HZ   PHE  11           HZ       PHE  11   4.246  -4.553  -2.144
   96    H    GLY  12           H        GLY  12   3.871  -0.454   2.978
   97   1HA   GLY  12          1HA       GLY  12   2.450  -2.950   2.402
   98   2HA   GLY  12          2HA       GLY  12   3.335  -2.580   3.884
   99    H    VAL  13           H        VAL  13   1.966  -0.064   4.366
  100    HA   VAL  13           HA       VAL  13  -0.417  -1.126   5.686
  101    HB   VAL  13           HB       VAL  13   0.777   1.655   5.508
  102   1HG1  VAL  13          1HG1      VAL  13  -1.891   0.870   6.202
  103   2HG1  VAL  13          2HG1      VAL  13  -1.065   1.394   7.669
  104   3HG1  VAL  13          3HG1      VAL  13  -1.169   2.477   6.282
  105   1HG2  VAL  13          1HG2      VAL  13   1.884  -0.259   6.850
  106   2HG2  VAL  13          2HG2      VAL  13   1.571   1.253   7.703
  107   3HG2  VAL  13          3HG2      VAL  13   0.496  -0.127   7.930
  108    H    SER  14           H        SER  14   0.337   0.639   2.775
  109    HA   SER  14           HA       SER  14  -2.405   1.544   2.322
  110   1HB   SER  14          1HB       SER  14  -0.032   2.395   1.352
  111   2HB   SER  14          2HB       SER  14  -0.506   1.315   0.043
  112    HG   SER  14           HG       SER  14  -1.264   3.588  -0.030
  113    H    TYR  15           H        TYR  15  -0.431  -1.234   1.465
  114    HA   TYR  15           HA       TYR  15  -2.202  -2.263  -0.576
  115   1HB   TYR  15          1HB       TYR  15   0.297  -2.914   0.211
  116   2HB   TYR  15          2HB       TYR  15  -0.605  -4.164   1.063
  117    HD1  TYR  15           HD1      TYR  15  -0.054  -2.641  -2.299
  118    HD2  TYR  15           HD2      TYR  15  -1.523  -6.022  -0.094
  119    HE1  TYR  15           HE1      TYR  15  -0.295  -3.915  -4.414
  120    HE2  TYR  15           HE2      TYR  15  -1.764  -7.295  -2.209
  121    HH   TYR  15           HH       TYR  15  -2.114  -6.456  -4.830
  122    H    ASP  16           H        ASP  16  -1.699  -3.165   2.855
  123    HA   ASP  16           HA       ASP  16  -3.787  -5.044   3.078
  124   1HB   ASP  16          1HB       ASP  16  -2.094  -3.620   4.868
  125   2HB   ASP  16          2HB       ASP  16  -3.747  -3.405   5.444
  126    H    GLU  17           H        GLU  17  -3.891  -1.578   2.805
  127    HA   GLU  17           HA       GLU  17  -6.811  -1.556   3.381
  128   1HB   GLU  17          1HB       GLU  17  -4.745   0.257   3.955
  129   2HB   GLU  17          2HB       GLU  17  -5.650   1.009   2.641
  130   1HG   GLU  17          1HG       GLU  17  -7.345  -0.213   4.717
  131   2HG   GLU  17          2HG       GLU  17  -6.361   1.133   5.292
  132    H    TYR  18           H        TYR  18  -4.539  -1.573   0.802
  133    HA   TYR  18           HA       TYR  18  -6.385  -0.336  -1.136
  134   1HB   TYR  18          1HB       TYR  18  -3.932   0.001  -1.331
  135   2HB   TYR  18          2HB       TYR  18  -3.727  -1.734  -1.572
  136    HD1  TYR  18           HD1      TYR  18  -6.482   0.410  -2.873
  137    HD2  TYR  18           HD2      TYR  18  -2.935  -1.825  -3.812
  138    HE1  TYR  18           HE1      TYR  18  -6.942   0.695  -5.294
  139    HE2  TYR  18           HE2      TYR  18  -3.396  -1.540  -6.231
  140    HH   TYR  18           HH       TYR  18  -6.177  -0.836  -7.500
  141    H    ARG  19           H        ARG  19  -4.805  -3.538  -0.787
  142    HA   ARG  19           HA       ARG  19  -6.146  -4.926  -2.791
  143   1HB   ARG  19          1HB       ARG  19  -4.661  -5.615  -0.458
  144   2HB   ARG  19          2HB       ARG  19  -6.124  -6.601  -0.461
  145   1HG   ARG  19          1HG       ARG  19  -5.097  -6.484  -3.136
  146   2HG   ARG  19          2HG       ARG  19  -3.786  -6.947  -2.049
  147   1HD   ARG  19          1HD       ARG  19  -4.666  -9.037  -2.247
  148   2HD   ARG  19          2HD       ARG  19  -5.845  -8.459  -1.069
  149    HE   ARG  19           HE       ARG  19  -6.921  -7.687  -3.500
  150   1HH1  ARG  19          1HH1      ARG  19  -5.175 -10.318  -4.003
  151   2HH1  ARG  19          2HH1      ARG  19  -6.467 -11.468  -4.095
  152   1HH2  ARG  19          1HH2      ARG  19  -8.845  -9.297  -2.814
  153   2HH2  ARG  19          2HH2      ARG  19  -8.542 -10.891  -3.420
  154    H    TYR  20           H        TYR  20  -7.425  -3.691   0.205
  155    HA   TYR  20           HA       TYR  20  -9.914  -5.247  -0.010
  156   1HB   TYR  20          1HB       TYR  20  -9.300  -4.821   2.233
  157   2HB   TYR  20          2HB       TYR  20  -8.877  -3.145   1.893
  158    HD1  TYR  20           HD1      TYR  20 -10.641  -1.443   1.551
  159    HD2  TYR  20           HD2      TYR  20 -11.594  -5.493   2.619
  160    HE1  TYR  20           HE1      TYR  20 -12.935  -0.738   2.176
  161    HE2  TYR  20           HE2      TYR  20 -13.889  -4.788   3.244
  162    HH   TYR  20           HH       TYR  20 -15.397  -2.413   2.322
  163    H    ARG  21           H        ARG  21  -8.741  -1.992  -0.718
  164    HA   ARG  21           HA       ARG  21 -11.414  -1.005  -1.396
  165   1HB   ARG  21          1HB       ARG  21  -9.166   0.276  -0.636
  166   2HB   ARG  21          2HB       ARG  21  -8.993   0.411  -2.387
  167   1HG   ARG  21          1HG       ARG  21 -11.052   1.557  -2.619
  168   2HG   ARG  21          2HG       ARG  21 -11.585   1.086  -1.005
  169   1HD   ARG  21          1HD       ARG  21 -10.785   3.058  -0.262
  170   2HD   ARG  21          2HD       ARG  21  -9.166   2.441  -0.589
  171    HE   ARG  21           HE       ARG  21 -10.750   3.961  -2.623
  172   1HH1  ARG  21          1HH1      ARG  21  -7.846   2.396  -2.136
  173   2HH1  ARG  21          2HH1      ARG  21  -6.837   3.731  -2.581
  174   1HH2  ARG  21          1HH2      ARG  21  -9.452   6.004  -2.719
  175   2HH2  ARG  21          2HH2      ARG  21  -7.746   5.773  -2.909
  176    H    SER  22           H        SER  22  -8.811  -2.619  -3.016
  177    HA   SER  22           HA       SER  22  -9.476  -1.813  -5.707
  178   1HB   SER  22          1HB       SER  22  -7.323  -2.980  -4.819
  179   2HB   SER  22          2HB       SER  22  -8.241  -4.471  -5.012
  180    HG   SER  22           HG       SER  22  -8.498  -3.990  -7.183
  181    H    VAL  23           H        VAL  23 -10.762  -4.167  -3.483
  182    HA   VAL  23           HA       VAL  23 -12.239  -5.590  -5.600
  183    HB   VAL  23           HB       VAL  23 -12.624  -5.903  -2.621
  184   1HG1  VAL  23          1HG1      VAL  23 -12.967  -7.691  -5.044
  185   2HG1  VAL  23          2HG1      VAL  23 -13.066  -8.276  -3.383
  186   3HG1  VAL  23          3HG1      VAL  23 -14.232  -7.091  -3.971
  187   1HG2  VAL  23          1HG2      VAL  23 -10.215  -6.335  -4.151
  188   2HG2  VAL  23          2HG2      VAL  23 -10.490  -6.605  -2.430
  189   3HG2  VAL  23          3HG2      VAL  23 -10.847  -7.884  -3.592
  190    H    ILE  24           H        ILE  24 -12.686  -2.918  -3.473
  191    HA   ILE  24           HA       ILE  24 -15.485  -2.660  -4.437
  192    HB   ILE  24           HB       ILE  24 -14.645  -2.432  -1.530
  193   1HG1  ILE  24          1HG1      ILE  24 -16.703  -4.202  -1.608
  194   2HG1  ILE  24          2HG1      ILE  24 -15.956  -4.532  -3.172
  195   1HG2  ILE  24          1HG2      ILE  24 -16.846  -1.288  -3.039
  196   2HG2  ILE  24          2HG2      ILE  24 -17.439  -2.374  -1.783
  197   3HG2  ILE  24          3HG2      ILE  24 -16.393  -1.019  -1.357
  198   1HD1  ILE  24          1HD1      ILE  24 -13.724  -4.497  -1.735
  199   2HD1  ILE  24          2HD1      ILE  24 -14.832  -4.890  -0.420
  200   3HD1  ILE  24          3HD1      ILE  24 -14.716  -5.952  -1.824
  201    H    LYS  25           H        LYS  25 -13.098  -1.279  -5.250
  202    HA   LYS  25           HA       LYS  25 -12.605   1.174  -3.958
  203   1HB   LYS  25          1HB       LYS  25 -11.426   0.189  -6.015
  204   2HB   LYS  25          2HB       LYS  25 -12.736   0.889  -6.966
  205   1HG   LYS  25          1HG       LYS  25 -12.208   3.117  -6.162
  206   2HG   LYS  25          2HG       LYS  25 -11.009   2.471  -5.042
  207   1HD   LYS  25          1HD       LYS  25  -9.729   1.578  -6.996
  208   2HD   LYS  25          2HD       LYS  25 -10.884   2.369  -8.070
  209   1HE   LYS  25          1HE       LYS  25  -9.388   3.913  -5.934
  210   2HE   LYS  25          2HE       LYS  25  -8.739   3.695  -7.572
  211   1HZ   LYS  25          1HZ       LYS  25 -11.541   4.433  -7.416
  212   2HZ   LYS  25          2HZ       LYS  25 -10.451   5.639  -6.922
  213   3HZ   LYS  25          3HZ       LYS  25 -10.337   4.974  -8.481
  214    H    ALA  26           H        ALA  26 -14.608   0.974  -6.916
  215    HA   ALA  26           HA       ALA  26 -15.912   3.437  -6.585
  216   1HB   ALA  26          1HB       ALA  26 -16.915   0.865  -7.833
  217   2HB   ALA  26          2HB       ALA  26 -17.766   2.404  -7.961
  218   3HB   ALA  26          3HB       ALA  26 -16.155   2.226  -8.657
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  16.894   4.438  -6.981
    2   2H    MET   1          2H        MET   1  15.817   3.359  -7.726
    3   3H    MET   1          3H        MET   1  16.182   4.842  -8.471
    4    HA   MET   1           HA       MET   1  14.940   6.076  -6.941
    5   1HB   MET   1          1HB       MET   1  13.890   3.582  -8.097
    6   2HB   MET   1          2HB       MET   1  12.893   4.227  -6.792
    7   1HG   MET   1          1HG       MET   1  12.451   6.214  -7.929
    8   2HG   MET   1          2HG       MET   1  13.902   6.085  -8.923
    9   1HE   MET   1          1HE       MET   1  14.238   5.344 -10.730
   10   2HE   MET   1          2HE       MET   1  13.761   3.715 -11.205
   11   3HE   MET   1          3HE       MET   1  13.014   5.121 -11.978
   12    HA   PRO   2           HA       PRO   2  15.928   4.209  -2.910
   13   1HB   PRO   2          1HB       PRO   2  16.213   6.603  -1.614
   14   2HB   PRO   2          2HB       PRO   2  17.515   5.856  -2.561
   15   1HG   PRO   2          1HG       PRO   2  15.686   8.084  -3.285
   16   2HG   PRO   2          2HG       PRO   2  17.396   7.850  -3.679
   17   1HD   PRO   2          1HD       PRO   2  15.334   7.377  -5.428
   18   2HD   PRO   2          2HD       PRO   2  16.929   6.599  -5.528
   19    H    GLY   3           H        GLY   3  13.396   3.874  -3.509
   20   1HA   GLY   3          1HA       GLY   3  11.887   5.291  -1.355
   21   2HA   GLY   3          2HA       GLY   3  11.169   5.083  -2.955
   22    H    THR   4           H        THR   4  13.200   2.700  -1.335
   23    HA   THR   4           HA       THR   4  10.926   0.796  -1.479
   24    HB   THR   4           HB       THR   4  13.673   0.606  -2.095
   25    HG1  THR   4           HG1      THR   4  11.701  -1.403  -1.764
   26   1HG2  THR   4          1HG2      THR   4  12.968  -1.117   0.302
   27   2HG2  THR   4          2HG2      THR   4  14.399  -1.324  -0.707
   28   3HG2  THR   4          3HG2      THR   4  14.201   0.143   0.252
   29    H    ILE   5           H        ILE   5  13.235   2.196   0.806
   30    HA   ILE   5           HA       ILE   5  12.597   0.639   3.084
   31    HB   ILE   5           HB       ILE   5  13.168   3.608   3.167
   32   1HG1  ILE   5          1HG1      ILE   5  15.582   2.169   3.391
   33   2HG1  ILE   5          2HG1      ILE   5  14.752   1.478   1.996
   34   1HG2  ILE   5          1HG2      ILE   5  12.629   2.346   5.280
   35   2HG2  ILE   5          2HG2      ILE   5  14.041   1.336   4.974
   36   3HG2  ILE   5          3HG2      ILE   5  14.240   3.064   5.268
   37   1HD1  ILE   5          1HD1      ILE   5  14.834   4.460   2.290
   38   2HD1  ILE   5          2HD1      ILE   5  16.274   3.623   1.711
   39   3HD1  ILE   5          3HD1      ILE   5  14.756   3.484   0.823
   40    H    LYS   6           H        LYS   6  11.147   3.709   1.979
   41    HA   LYS   6           HA       LYS   6   9.206   3.950   4.026
   42   1HB   LYS   6          1HB       LYS   6   9.586   5.784   2.488
   43   2HB   LYS   6          2HB       LYS   6   9.094   4.792   1.115
   44   1HG   LYS   6          1HG       LYS   6   6.831   4.790   1.768
   45   2HG   LYS   6          2HG       LYS   6   7.215   5.257   3.426
   46   1HD   LYS   6          1HD       LYS   6   8.085   7.456   2.472
   47   2HD   LYS   6          2HD       LYS   6   7.344   6.982   0.943
   48   1HE   LYS   6          1HE       LYS   6   5.427   6.578   3.053
   49   2HE   LYS   6          2HE       LYS   6   6.063   8.232   3.150
   50   1HZ   LYS   6          1HZ       LYS   6   5.722   8.455   0.758
   51   2HZ   LYS   6          2HZ       LYS   6   5.061   6.894   0.692
   52   3HZ   LYS   6          3HZ       LYS   6   4.257   8.118   1.551
   53    H    GLU   7           H        GLU   7   9.163   2.082   1.014
   54    HA   GLU   7           HA       GLU   7   6.417   1.307   1.107
   55   1HB   GLU   7          1HB       GLU   7   8.718  -0.379   0.079
   56   2HB   GLU   7          2HB       GLU   7   7.029  -0.459  -0.421
   57   1HG   GLU   7          1HG       GLU   7   8.280   2.209  -0.664
   58   2HG   GLU   7          2HG       GLU   7   8.931   0.976  -1.744
   59    H    ASN   8           H        ASN   8   9.332  -0.384   2.336
   60    HA   ASN   8           HA       ASN   8   8.050  -2.596   3.483
   61   1HB   ASN   8          1HB       ASN   8  10.478  -2.391   3.464
   62   2HB   ASN   8          2HB       ASN   8  10.375  -1.034   4.576
   63   1HD2  ASN   8          2HD2      ASN   8   9.584  -4.526   4.345
   64   2HD2  ASN   8          1HD2      ASN   8   9.708  -4.821   6.012
   65    H    ILE   9           H        ILE   9   7.876   0.730   4.379
   66    HA   ILE   9           HA       ILE   9   6.597   0.017   6.978
   67    HB   ILE   9           HB       ILE   9   7.570   2.700   5.992
   68   1HG1  ILE   9          1HG1      ILE   9   8.834   0.636   7.818
   69   2HG1  ILE   9          2HG1      ILE   9   9.430   1.140   6.235
   70   1HG2  ILE   9          1HG2      ILE   9   6.311   1.673   8.511
   71   2HG2  ILE   9          2HG2      ILE   9   7.516   2.953   8.635
   72   3HG2  ILE   9          3HG2      ILE   9   6.055   3.207   7.682
   73   1HD1  ILE   9          1HD1      ILE   9   8.990   3.162   8.411
   74   2HD1  ILE   9          2HD1      ILE   9  10.480   2.218   8.351
   75   3HD1  ILE   9          3HD1      ILE   9  10.043   3.264   6.999
   76    H    ILE  10           H        ILE  10   5.823   0.888   3.807
   77    HA   ILE  10           HA       ILE  10   3.153   1.890   4.730
   78    HB   ILE  10           HB       ILE  10   5.022   3.380   3.330
   79   1HG1  ILE  10          1HG1      ILE  10   3.180   4.364   4.493
   80   2HG1  ILE  10          2HG1      ILE  10   3.011   4.840   2.803
   81   1HG2  ILE  10          1HG2      ILE  10   4.694   1.991   1.304
   82   2HG2  ILE  10          2HG2      ILE  10   2.973   2.371   1.336
   83   3HG2  ILE  10          3HG2      ILE  10   4.153   3.650   1.052
   84   1HD1  ILE  10          1HD1      ILE  10   1.611   2.539   2.738
   85   2HD1  ILE  10          2HD1      ILE  10   1.343   2.983   4.423
   86   3HD1  ILE  10          3HD1      ILE  10   0.866   4.088   3.134
   87    H    PHE  11           H        PHE  11   5.004   0.247   2.252
   88    HA   PHE  11           HA       PHE  11   3.062  -0.677   0.520
   89   1HB   PHE  11          1HB       PHE  11   5.713  -1.088   0.911
   90   2HB   PHE  11          2HB       PHE  11   5.074  -2.645   1.411
   91    HD1  PHE  11           HD1      PHE  11   3.849  -0.232  -1.146
   92    HD2  PHE  11           HD2      PHE  11   5.494  -4.115  -0.362
   93    HE1  PHE  11           HE1      PHE  11   3.534  -0.843  -3.537
   94    HE2  PHE  11           HE2      PHE  11   5.184  -4.735  -2.751
   95    HZ   PHE  11           HZ       PHE  11   4.203  -3.096  -4.336
   96    H    GLY  12           H        GLY  12   3.761  -1.748   3.803
   97   1HA   GLY  12          1HA       GLY  12   1.936  -4.046   3.598
   98   2HA   GLY  12          2HA       GLY  12   2.794  -3.531   5.052
   99    H    VAL  13           H        VAL  13   1.996  -0.862   5.195
  100    HA   VAL  13           HA       VAL  13  -0.665  -1.133   6.315
  101    HB   VAL  13           HB       VAL  13   1.012   1.338   5.768
  102   1HG1  VAL  13          1HG1      VAL  13  -1.511   1.645   6.065
  103   2HG1  VAL  13          2HG1      VAL  13  -1.289   1.042   7.708
  104   3HG1  VAL  13          3HG1      VAL  13  -0.485   2.527   7.196
  105   1HG2  VAL  13          1HG2      VAL  13   1.386  -0.766   7.598
  106   2HG2  VAL  13          2HG2      VAL  13   2.166   0.815   7.636
  107   3HG2  VAL  13          3HG2      VAL  13   0.676   0.545   8.540
  108    H    SER  14           H        SER  14   0.618  -0.287   3.225
  109    HA   SER  14           HA       SER  14  -1.782   1.143   2.328
  110   1HB   SER  14          1HB       SER  14   0.866   0.981   1.447
  111   2HB   SER  14          2HB       SER  14  -0.048   0.114   0.217
  112    HG   SER  14           HG       SER  14  -0.095   2.790   0.950
  113    H    TYR  15           H        TYR  15  -0.246  -2.019   1.640
  114    HA   TYR  15           HA       TYR  15  -2.187  -3.054  -0.122
  115   1HB   TYR  15          1HB       TYR  15   0.051  -4.060   0.918
  116   2HB   TYR  15          2HB       TYR  15  -1.090  -4.848   2.000
  117    HD1  TYR  15           HD1      TYR  15  -0.526  -4.192  -1.653
  118    HD2  TYR  15           HD2      TYR  15  -2.127  -6.829   1.338
  119    HE1  TYR  15           HE1      TYR  15  -1.062  -5.860  -3.408
  120    HE2  TYR  15           HE2      TYR  15  -2.662  -8.496  -0.417
  121    HH   TYR  15           HH       TYR  15  -1.727  -9.026  -2.792
  122    H    ASP  16           H        ASP  16  -2.052  -3.290   3.427
  123    HA   ASP  16           HA       ASP  16  -4.486  -4.662   3.836
  124   1HB   ASP  16          1HB       ASP  16  -2.927  -4.201   5.674
  125   2HB   ASP  16          2HB       ASP  16  -3.239  -2.471   5.529
  126    H    GLU  17           H        GLU  17  -3.912  -1.461   2.692
  127    HA   GLU  17           HA       GLU  17  -6.823  -0.839   2.968
  128   1HB   GLU  17          1HB       GLU  17  -4.635   0.645   3.857
  129   2HB   GLU  17          2HB       GLU  17  -5.096   1.435   2.350
  130   1HG   GLU  17          1HG       GLU  17  -6.793   2.431   3.441
  131   2HG   GLU  17          2HG       GLU  17  -7.509   0.840   3.703
  132    H    TYR  18           H        TYR  18  -4.547  -1.858   0.783
  133    HA   TYR  18           HA       TYR  18  -5.705  -0.259  -1.456
  134   1HB   TYR  18          1HB       TYR  18  -3.127  -0.615  -1.006
  135   2HB   TYR  18          2HB       TYR  18  -3.412  -2.161  -1.805
  136    HD1  TYR  18           HD1      TYR  18  -4.261   1.473  -2.238
  137    HD2  TYR  18           HD2      TYR  18  -3.221  -2.243  -4.123
  138    HE1  TYR  18           HE1      TYR  18  -4.223   2.603  -4.444
  139    HE2  TYR  18           HE2      TYR  18  -3.182  -1.114  -6.330
  140    HH   TYR  18           HH       TYR  18  -2.886   1.169  -7.221
  141    H    ARG  19           H        ARG  19  -4.666  -3.648  -0.881
  142    HA   ARG  19           HA       ARG  19  -6.003  -4.834  -3.030
  143   1HB   ARG  19          1HB       ARG  19  -4.624  -5.772  -0.832
  144   2HB   ARG  19          2HB       ARG  19  -6.256  -6.384  -0.546
  145   1HG   ARG  19          1HG       ARG  19  -5.723  -6.757  -3.306
  146   2HG   ARG  19          2HG       ARG  19  -4.295  -7.319  -2.435
  147   1HD   ARG  19          1HD       ARG  19  -6.010  -8.519  -0.879
  148   2HD   ARG  19          2HD       ARG  19  -7.138  -8.283  -2.213
  149    HE   ARG  19           HE       ARG  19  -4.691  -9.436  -3.189
  150   1HH1  ARG  19          1HH1      ARG  19  -7.747 -10.017  -1.721
  151   2HH1  ARG  19          2HH1      ARG  19  -7.695 -11.729  -1.973
  152   1HH2  ARG  19          1HH2      ARG  19  -4.525 -11.698  -3.376
  153   2HH2  ARG  19          2HH2      ARG  19  -5.873 -12.681  -2.910
  154    H    TYR  20           H        TYR  20  -7.337  -3.638  -0.007
  155    HA   TYR  20           HA       TYR  20  -9.939  -4.884  -0.373
  156   1HB   TYR  20          1HB       TYR  20  -9.292  -4.268   1.868
  157   2HB   TYR  20          2HB       TYR  20  -8.992  -2.599   1.379
  158    HD1  TYR  20           HD1      TYR  20 -11.733  -5.164   1.287
  159    HD2  TYR  20           HD2      TYR  20 -10.674  -1.025   1.731
  160    HE1  TYR  20           HE1      TYR  20 -14.108  -4.604   1.731
  161    HE2  TYR  20           HE2      TYR  20 -13.048  -0.465   2.173
  162    HH   TYR  20           HH       TYR  20 -15.187  -1.263   2.002
  163    H    ARG  21           H        ARG  21  -8.685  -1.567  -0.828
  164    HA   ARG  21           HA       ARG  21 -11.163  -0.576  -1.941
  165   1HB   ARG  21          1HB       ARG  21  -8.341   0.437  -1.766
  166   2HB   ARG  21          2HB       ARG  21  -9.486   1.249  -2.834
  167   1HG   ARG  21          1HG       ARG  21 -11.041   1.068  -0.661
  168   2HG   ARG  21          2HG       ARG  21  -9.471   1.070   0.143
  169   1HD   ARG  21          1HD       ARG  21 -10.711   3.198  -1.580
  170   2HD   ARG  21          2HD       ARG  21  -9.948   3.357   0.002
  171    HE   ARG  21           HE       ARG  21  -8.514   3.116  -2.589
  172   1HH1  ARG  21          1HH1      ARG  21  -7.490   1.851   0.147
  173   2HH1  ARG  21          2HH1      ARG  21  -6.304   3.042   0.561
  174   1HH2  ARG  21          1HH2      ARG  21  -7.432   5.357  -1.763
  175   2HH2  ARG  21          2HH2      ARG  21  -6.270   5.027  -0.522
  176    H    SER  22           H        SER  22  -8.223  -1.983  -3.310
  177    HA   SER  22           HA       SER  22  -8.684  -1.339  -6.038
  178   1HB   SER  22          1HB       SER  22  -6.577  -2.272  -5.614
  179   2HB   SER  22          2HB       SER  22  -7.243  -3.572  -4.630
  180    HG   SER  22           HG       SER  22  -6.617  -3.671  -7.158
  181    H    VAL  23           H        VAL  23 -10.433  -3.390  -3.929
  182    HA   VAL  23           HA       VAL  23 -11.609  -4.920  -6.192
  183    HB   VAL  23           HB       VAL  23 -12.073  -5.195  -3.206
  184   1HG1  VAL  23          1HG1      VAL  23 -13.262  -6.412  -5.607
  185   2HG1  VAL  23          2HG1      VAL  23 -12.687  -7.588  -4.424
  186   3HG1  VAL  23          3HG1      VAL  23 -13.869  -6.368  -3.952
  187   1HG2  VAL  23          1HG2      VAL  23  -9.727  -5.712  -4.269
  188   2HG2  VAL  23          2HG2      VAL  23 -10.458  -6.891  -3.181
  189   3HG2  VAL  23          3HG2      VAL  23 -10.543  -7.131  -4.926
  190    H    ILE  24           H        ILE  24 -12.523  -2.681  -3.580
  191    HA   ILE  24           HA       ILE  24 -15.083  -2.211  -5.058
  192    HB   ILE  24           HB       ILE  24 -14.706  -1.895  -2.072
  193   1HG1  ILE  24          1HG1      ILE  24 -16.246  -4.075  -2.240
  194   2HG1  ILE  24          2HG1      ILE  24 -15.342  -4.293  -3.740
  195   1HG2  ILE  24          1HG2      ILE  24 -16.822  -1.362  -4.002
  196   2HG2  ILE  24          2HG2      ILE  24 -17.363  -2.464  -2.735
  197   3HG2  ILE  24          3HG2      ILE  24 -16.709  -0.882  -2.309
  198   1HD1  ILE  24          1HD1      ILE  24 -13.317  -3.642  -2.055
  199   2HD1  ILE  24          2HD1      ILE  24 -14.409  -4.453  -0.931
  200   3HD1  ILE  24          3HD1      ILE  24 -13.825  -5.303  -2.362
  201    H    LYS  25           H        LYS  25 -12.589  -0.783  -5.463
  202    HA   LYS  25           HA       LYS  25 -12.428   1.648  -4.003
  203   1HB   LYS  25          1HB       LYS  25 -10.677   0.930  -5.581
  204   2HB   LYS  25          2HB       LYS  25 -11.792   1.160  -6.929
  205   1HG   LYS  25          1HG       LYS  25 -11.973   3.578  -5.641
  206   2HG   LYS  25          2HG       LYS  25 -10.278   3.162  -5.387
  207   1HD   LYS  25          1HD       LYS  25  -9.784   3.199  -7.650
  208   2HD   LYS  25          2HD       LYS  25 -11.433   2.785  -8.122
  209   1HE   LYS  25          1HE       LYS  25 -12.211   4.999  -7.800
  210   2HE   LYS  25          2HE       LYS  25 -10.804   5.439  -6.813
  211   1HZ   LYS  25          1HZ       LYS  25 -10.232   4.405  -9.467
  212   2HZ   LYS  25          2HZ       LYS  25 -10.955   5.942  -9.422
  213   3HZ   LYS  25          3HZ       LYS  25  -9.487   5.667  -8.612
  214    H    ALA  26           H        ALA  26 -14.114   3.037  -3.733
  215    HA   ALA  26           HA       ALA  26 -15.943   4.411  -4.256
  216   1HB   ALA  26          1HB       ALA  26 -14.164   5.049  -6.072
  217   2HB   ALA  26          2HB       ALA  26 -15.221   4.157  -7.165
  218   3HB   ALA  26          3HB       ALA  26 -15.837   5.562  -6.295
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  17.120  -3.396   4.491
    2   2H    MET   1          2H        MET   1  15.645  -4.148   4.121
    3   3H    MET   1          3H        MET   1  17.105  -4.838   3.594
    4    HA   MET   1           HA       MET   1  17.437  -3.246   1.951
    5   1HB   MET   1          1HB       MET   1  15.149  -4.771   2.141
    6   2HB   MET   1          2HB       MET   1  14.496  -3.170   1.792
    7   1HG   MET   1          1HG       MET   1  16.145  -3.002  -0.111
    8   2HG   MET   1          2HG       MET   1  16.555  -4.694   0.176
    9   1HE   MET   1          1HE       MET   1  16.037  -5.873  -1.654
   10   2HE   MET   1          2HE       MET   1  15.022  -6.752  -0.512
   11   3HE   MET   1          3HE       MET   1  14.422  -6.390  -2.136
   12    HA   PRO   2           HA       PRO   2  16.452   0.669   4.089
   13   1HB   PRO   2          1HB       PRO   2  18.732   1.945   3.273
   14   2HB   PRO   2          2HB       PRO   2  18.672   0.892   4.701
   15   1HG   PRO   2          1HG       PRO   2  19.700   0.321   1.970
   16   2HG   PRO   2          2HG       PRO   2  20.321  -0.202   3.543
   17   1HD   PRO   2          1HD       PRO   2  18.849  -1.797   1.876
   18   2HD   PRO   2          2HD       PRO   2  18.925  -2.005   3.639
   19    H    GLY   3           H        GLY   3  16.395   2.962   3.052
   20   1HA   GLY   3          1HA       GLY   3  15.509   4.308   1.340
   21   2HA   GLY   3          2HA       GLY   3  16.630   3.442   0.289
   22    H    THR   4           H        THR   4  14.050   1.856   2.077
   23    HA   THR   4           HA       THR   4  12.491   1.576  -0.438
   24    HB   THR   4           HB       THR   4  14.155  -0.429   0.618
   25    HG1  THR   4           HG1      THR   4  13.114   0.001  -1.532
   26   1HG2  THR   4          1HG2      THR   4  11.240  -1.003   1.202
   27   2HG2  THR   4          2HG2      THR   4  12.488  -2.246   1.110
   28   3HG2  THR   4          3HG2      THR   4  12.575  -0.999   2.354
   29    H    ILE   5           H        ILE   5  12.625   1.277   3.078
   30    HA   ILE   5           HA       ILE   5   9.925   0.654   3.611
   31    HB   ILE   5           HB       ILE   5  11.640   2.554   5.233
   32   1HG1  ILE   5          1HG1      ILE   5  11.602  -0.285   5.996
   33   2HG1  ILE   5          2HG1      ILE   5  12.383   0.014   4.443
   34   1HG2  ILE   5          1HG2      ILE   5   9.151   0.974   5.687
   35   2HG2  ILE   5          2HG2      ILE   5  10.297   1.075   7.024
   36   3HG2  ILE   5          3HG2      ILE   5   9.617   2.547   6.332
   37   1HD1  ILE   5          1HD1      ILE   5  13.780   1.773   5.513
   38   2HD1  ILE   5          2HD1      ILE   5  13.043   1.384   7.067
   39   3HD1  ILE   5          3HD1      ILE   5  14.037   0.186   6.238
   40    H    LYS   6           H        LYS   6  11.440   3.884   3.401
   41    HA   LYS   6           HA       LYS   6   9.246   5.515   3.832
   42   1HB   LYS   6          1HB       LYS   6  10.318   7.192   2.510
   43   2HB   LYS   6          2HB       LYS   6  11.615   6.224   3.208
   44   1HG   LYS   6          1HG       LYS   6  11.753   4.914   1.113
   45   2HG   LYS   6          2HG       LYS   6  10.481   5.918   0.414
   46   1HD   LYS   6          1HD       LYS   6  11.853   7.880   0.503
   47   2HD   LYS   6          2HD       LYS   6  13.058   7.069   1.504
   48   1HE   LYS   6          1HE       LYS   6  12.452   5.786  -1.117
   49   2HE   LYS   6          2HE       LYS   6  13.364   7.309  -1.163
   50   1HZ   LYS   6          1HZ       LYS   6  14.738   6.337   0.692
   51   2HZ   LYS   6          2HZ       LYS   6  14.014   4.841   0.345
   52   3HZ   LYS   6          3HZ       LYS   6  14.959   5.623  -0.830
   53    H    GLU   7           H        GLU   7   9.852   3.465   1.077
   54    HA   GLU   7           HA       GLU   7   7.625   4.622  -0.469
   55   1HB   GLU   7          1HB       GLU   7   9.145   2.059  -1.022
   56   2HB   GLU   7          2HB       GLU   7   8.201   3.014  -2.163
   57   1HG   GLU   7          1HG       GLU   7  10.360   4.474  -0.759
   58   2HG   GLU   7          2HG       GLU   7  10.892   3.240  -1.899
   59    H    ASN   8           H        ASN   8   8.332   1.490   1.116
   60    HA   ASN   8           HA       ASN   8   5.803   0.300   0.628
   61   1HB   ASN   8          1HB       ASN   8   8.001  -0.693   1.636
   62   2HB   ASN   8          2HB       ASN   8   7.287  -0.197   3.163
   63   1HD2  ASN   8          2HD2      ASN   8   5.178  -1.178   3.766
   64   2HD2  ASN   8          1HD2      ASN   8   4.693  -2.647   3.068
   65    H    ILE   9           H        ILE   9   6.636   2.926   2.632
   66    HA   ILE   9           HA       ILE   9   4.324   2.541   4.442
   67    HB   ILE   9           HB       ILE   9   6.290   4.839   4.264
   68   1HG1  ILE   9          1HG1      ILE   9   7.237   2.514   4.735
   69   2HG1  ILE   9          2HG1      ILE   9   7.562   3.743   5.949
   70   1HG2  ILE   9          1HG2      ILE   9   3.852   4.547   5.669
   71   2HG2  ILE   9          2HG2      ILE   9   5.130   4.336   6.865
   72   3HG2  ILE   9          3HG2      ILE   9   5.068   5.803   5.889
   73   1HD1  ILE   9          1HD1      ILE   9   5.140   1.970   6.177
   74   2HD1  ILE   9          2HD1      ILE   9   6.715   1.410   6.741
   75   3HD1  ILE   9          3HD1      ILE   9   5.985   2.850   7.452
   76    H    ILE  10           H        ILE  10   5.078   4.017   1.466
   77    HA   ILE  10           HA       ILE  10   2.606   5.697   1.673
   78    HB   ILE  10           HB       ILE  10   5.221   6.476   0.953
   79   1HG1  ILE  10          1HG1      ILE  10   3.661   8.003   1.915
   80   2HG1  ILE  10          2HG1      ILE  10   3.980   8.616   0.291
   81   1HG2  ILE  10          1HG2      ILE  10   3.433   6.224  -1.478
   82   2HG2  ILE  10          2HG2      ILE  10   4.789   7.349  -1.396
   83   3HG2  ILE  10          3HG2      ILE  10   5.076   5.614  -1.278
   84   1HD1  ILE  10          1HD1      ILE  10   1.885   6.839  -0.106
   85   2HD1  ILE  10          2HD1      ILE  10   1.484   7.597   1.436
   86   3HD1  ILE  10          3HD1      ILE  10   1.735   8.594   0.002
   87    H    PHE  11           H        PHE  11   4.612   3.919  -0.683
   88    HA   PHE  11           HA       PHE  11   2.759   3.568  -2.723
   89   1HB   PHE  11          1HB       PHE  11   4.761   2.604  -3.289
   90   2HB   PHE  11          2HB       PHE  11   5.095   2.094  -1.642
   91    HD1  PHE  11           HD1      PHE  11   3.297   1.238  -4.751
   92    HD2  PHE  11           HD2      PHE  11   4.437  -0.063  -0.822
   93    HE1  PHE  11           HE1      PHE  11   2.585  -1.076  -5.316
   94    HE2  PHE  11           HE2      PHE  11   3.728  -2.378  -1.381
   95    HZ   PHE  11           HZ       PHE  11   2.801  -2.882  -3.627
   96    H    GLY  12           H        GLY  12   2.842   2.151   0.472
   97   1HA   GLY  12          1HA       GLY  12   0.844   0.101  -0.083
   98   2HA   GLY  12          2HA       GLY  12   1.397   0.600   1.520
   99    H    VAL  13           H        VAL  13   0.861   3.314   1.447
  100    HA   VAL  13           HA       VAL  13  -1.870   3.484   2.143
  101    HB   VAL  13           HB       VAL  13   0.051   5.607   1.143
  102   1HG1  VAL  13          1HG1      VAL  13  -2.717   5.863   2.346
  103   2HG1  VAL  13          2HG1      VAL  13  -1.572   7.200   2.232
  104   3HG1  VAL  13          3HG1      VAL  13  -2.184   6.436   0.765
  105   1HG2  VAL  13          1HG2      VAL  13   0.348   4.250   3.374
  106   2HG2  VAL  13          2HG2      VAL  13   0.546   6.002   3.390
  107   3HG2  VAL  13          3HG2      VAL  13  -0.962   5.280   3.953
  108    H    SER  14           H        SER  14  -0.332   3.406  -0.936
  109    HA   SER  14           HA       SER  14  -2.800   4.364  -2.296
  110   1HB   SER  14          1HB       SER  14  -0.231   5.038  -2.802
  111   2HB   SER  14          2HB       SER  14  -0.366   3.631  -3.852
  112    HG   SER  14           HG       SER  14  -1.079   5.326  -5.046
  113    H    TYR  15           H        TYR  15  -0.425   1.684  -2.474
  114    HA   TYR  15           HA       TYR  15  -2.107   0.085  -4.210
  115   1HB   TYR  15          1HB       TYR  15   0.518   0.000  -3.469
  116   2HB   TYR  15          2HB       TYR  15  -0.143  -1.330  -2.523
  117    HD1  TYR  15           HD1      TYR  15  -1.072   0.010  -5.896
  118    HD2  TYR  15           HD2      TYR  15   0.399  -3.327  -3.627
  119    HE1  TYR  15           HE1      TYR  15  -1.136  -1.403  -7.932
  120    HE2  TYR  15           HE2      TYR  15   0.335  -4.741  -5.664
  121    HH   TYR  15           HH       TYR  15  -0.703  -3.392  -8.802
  122    H    ASP  16           H        ASP  16  -1.146  -0.423  -0.781
  123    HA   ASP  16           HA       ASP  16  -2.968  -2.479  -0.209
  124   1HB   ASP  16          1HB       ASP  16  -1.988  -0.220   1.560
  125   2HB   ASP  16          2HB       ASP  16  -2.936  -1.579   2.162
  126    H    GLU  17           H        GLU  17  -3.557   0.867  -0.851
  127    HA   GLU  17           HA       GLU  17  -6.330   0.696   0.190
  128   1HB   GLU  17          1HB       GLU  17  -4.501   2.777   0.107
  129   2HB   GLU  17          2HB       GLU  17  -5.556   3.131  -1.260
  130   1HG   GLU  17          1HG       GLU  17  -6.651   4.186   0.534
  131   2HG   GLU  17          2HG       GLU  17  -7.502   2.647   0.396
  132    H    TYR  18           H        TYR  18  -4.536   0.360  -2.739
  133    HA   TYR  18           HA       TYR  18  -6.957   0.863  -4.393
  134   1HB   TYR  18          1HB       TYR  18  -4.055   0.913  -4.841
  135   2HB   TYR  18          2HB       TYR  18  -4.953   0.115  -6.132
  136    HD1  TYR  18           HD1      TYR  18  -6.181   2.854  -3.930
  137    HD2  TYR  18           HD2      TYR  18  -4.837   1.756  -7.860
  138    HE1  TYR  18           HE1      TYR  18  -6.905   5.063  -4.796
  139    HE2  TYR  18           HE2      TYR  18  -5.560   3.965  -8.725
  140    HH   TYR  18           HH       TYR  18  -6.504   5.906  -8.241
  141    H    ARG  19           H        ARG  19  -4.629  -1.751  -3.672
  142    HA   ARG  19           HA       ARG  19  -6.253  -3.627  -5.284
  143   1HB   ARG  19          1HB       ARG  19  -3.513  -3.504  -4.374
  144   2HB   ARG  19          2HB       ARG  19  -4.239  -5.044  -3.914
  145   1HG   ARG  19          1HG       ARG  19  -4.991  -4.263  -6.619
  146   2HG   ARG  19          2HG       ARG  19  -3.241  -4.388  -6.437
  147   1HD   ARG  19          1HD       ARG  19  -4.148  -6.610  -5.067
  148   2HD   ARG  19          2HD       ARG  19  -5.273  -6.504  -6.422
  149    HE   ARG  19           HE       ARG  19  -2.603  -6.165  -7.394
  150   1HH1  ARG  19          1HH1      ARG  19  -2.846  -8.547  -5.307
  151   2HH1  ARG  19          2HH1      ARG  19  -2.945  -9.869  -6.422
  152   1HH2  ARG  19          1HH2      ARG  19  -3.545  -7.848  -9.175
  153   2HH2  ARG  19          2HH2      ARG  19  -3.337  -9.473  -8.613
  154    H    TYR  20           H        TYR  20  -6.343  -2.473  -2.142
  155    HA   TYR  20           HA       TYR  20  -7.183  -5.069  -0.972
  156   1HB   TYR  20          1HB       TYR  20  -5.687  -3.452   0.281
  157   2HB   TYR  20          2HB       TYR  20  -7.069  -2.361   0.376
  158    HD1  TYR  20           HD1      TYR  20  -6.633  -6.073   0.768
  159    HD2  TYR  20           HD2      TYR  20  -8.047  -2.398   2.483
  160    HE1  TYR  20           HE1      TYR  20  -7.479  -7.317   2.739
  161    HE2  TYR  20           HE2      TYR  20  -8.891  -3.643   4.454
  162    HH   TYR  20           HH       TYR  20  -9.187  -7.023   4.505
  163    H    ARG  21           H        ARG  21  -8.538  -1.784  -0.620
  164    HA   ARG  21           HA       ARG  21 -11.159  -2.493  -0.045
  165   1HB   ARG  21          1HB       ARG  21  -9.812  -0.131  -0.826
  166   2HB   ARG  21          2HB       ARG  21 -11.200  -0.286  -1.904
  167   1HG   ARG  21          1HG       ARG  21 -12.736  -0.148  -0.175
  168   2HG   ARG  21          2HG       ARG  21 -11.607  -0.791   1.017
  169   1HD   ARG  21          1HD       ARG  21 -11.199   1.327   1.664
  170   2HD   ARG  21          2HD       ARG  21 -10.430   1.591   0.098
  171    HE   ARG  21           HE       ARG  21 -12.974   2.049  -0.591
  172   1HH1  ARG  21          1HH1      ARG  21 -13.571   2.219   2.406
  173   2HH1  ARG  21          2HH1      ARG  21 -13.493   3.931   2.659
  174   1HH2  ARG  21          1HH2      ARG  21 -11.876   4.563  -0.341
  175   2HH2  ARG  21          2HH2      ARG  21 -12.535   5.259   1.101
  176    H    SER  22           H        SER  22  -9.537  -2.549  -3.160
  177    HA   SER  22           HA       SER  22 -11.838  -2.821  -4.826
  178   1HB   SER  22          1HB       SER  22  -9.387  -2.456  -5.523
  179   2HB   SER  22          2HB       SER  22  -9.197  -4.198  -5.339
  180    HG   SER  22           HG       SER  22 -10.520  -4.531  -7.005
  181    H    VAL  23           H        VAL  23 -10.513  -4.965  -2.504
  182    HA   VAL  23           HA       VAL  23 -12.024  -7.245  -3.720
  183    HB   VAL  23           HB       VAL  23  -9.865  -7.452  -1.610
  184   1HG1  VAL  23          1HG1      VAL  23 -11.481  -9.331  -3.276
  185   2HG1  VAL  23          2HG1      VAL  23  -9.806  -9.771  -2.944
  186   3HG1  VAL  23          3HG1      VAL  23 -10.926  -9.500  -1.610
  187   1HG2  VAL  23          1HG2      VAL  23  -9.678  -7.003  -4.524
  188   2HG2  VAL  23          2HG2      VAL  23  -8.466  -6.753  -3.267
  189   3HG2  VAL  23          3HG2      VAL  23  -8.729  -8.365  -3.929
  190    H    ILE  24           H        ILE  24 -11.730  -5.139  -0.981
  191    HA   ILE  24           HA       ILE  24 -13.519  -6.860   0.645
  192    HB   ILE  24           HB       ILE  24 -11.891  -4.386   1.230
  193   1HG1  ILE  24          1HG1      ILE  24 -10.814  -5.852   2.848
  194   2HG1  ILE  24          2HG1      ILE  24 -11.995  -7.124   2.534
  195   1HG2  ILE  24          1HG2      ILE  24 -14.108  -4.136   2.314
  196   2HG2  ILE  24          2HG2      ILE  24 -13.916  -5.726   3.050
  197   3HG2  ILE  24          3HG2      ILE  24 -12.834  -4.410   3.502
  198   1HD1  ILE  24          1HD1      ILE  24 -10.299  -5.997   0.308
  199   2HD1  ILE  24          2HD1      ILE  24  -9.701  -7.296   1.342
  200   3HD1  ILE  24          3HD1      ILE  24 -11.151  -7.541   0.368
  201    H    LYS  25           H        LYS  25 -13.506  -3.851  -1.171
  202    HA   LYS  25           HA       LYS  25 -16.450  -3.727  -0.810
  203   1HB   LYS  25          1HB       LYS  25 -15.373  -2.195   0.875
  204   2HB   LYS  25          2HB       LYS  25 -14.676  -1.293  -0.471
  205   1HG   LYS  25          1HG       LYS  25 -16.590  -0.095  -0.498
  206   2HG   LYS  25          2HG       LYS  25 -17.364  -1.536  -1.158
  207   1HD   LYS  25          1HD       LYS  25 -18.608  -1.702   0.706
  208   2HD   LYS  25          2HD       LYS  25 -17.136  -1.918   1.652
  209   1HE   LYS  25          1HE       LYS  25 -16.901   0.623   1.657
  210   2HE   LYS  25          2HE       LYS  25 -18.549   0.684   1.004
  211   1HZ   LYS  25          1HZ       LYS  25 -18.606  -1.174   3.050
  212   2HZ   LYS  25          2HZ       LYS  25 -17.711   0.132   3.663
  213   3HZ   LYS  25          3HZ       LYS  25 -19.283   0.380   3.070
  214    H    ALA  26           H        ALA  26 -17.497  -3.047  -2.671
  215    HA   ALA  26           HA       ALA  26 -15.804  -2.694  -5.060
  216   1HB   ALA  26          1HB       ALA  26 -18.027  -4.102  -4.811
  217   2HB   ALA  26          2HB       ALA  26 -18.801  -2.547  -5.120
  218   3HB   ALA  26          3HB       ALA  26 -17.693  -3.232  -6.310
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  18.720   0.105  -1.450
    2   2H    MET   1          2H        MET   1  19.146  -0.605  -2.935
    3   3H    MET   1          3H        MET   1  20.159   0.560  -2.233
    4    HA   MET   1           HA       MET   1  19.089   1.845  -3.797
    5   1HB   MET   1          1HB       MET   1  16.907  -0.156  -3.229
    6   2HB   MET   1          2HB       MET   1  16.542   1.328  -4.111
    7   1HG   MET   1          1HG       MET   1  18.711   0.594  -5.490
    8   2HG   MET   1          2HG       MET   1  18.215  -1.004  -4.932
    9   1HE   MET   1          1HE       MET   1  18.554  -0.687  -7.602
   10   2HE   MET   1          2HE       MET   1  17.152  -0.552  -8.672
   11   3HE   MET   1          3HE       MET   1  17.979   0.898  -8.110
   12    HA   PRO   2           HA       PRO   2  17.766   4.475  -0.473
   13   1HB   PRO   2          1HB       PRO   2  17.608   6.786  -1.928
   14   2HB   PRO   2          2HB       PRO   2  19.149   6.087  -1.392
   15   1HG   PRO   2          1HG       PRO   2  17.855   5.994  -4.064
   16   2HG   PRO   2          2HG       PRO   2  19.569   6.119  -3.642
   17   1HD   PRO   2          1HD       PRO   2  18.341   3.803  -4.464
   18   2HD   PRO   2          2HD       PRO   2  19.820   3.859  -3.482
   19    H    GLY   3           H        GLY   3  15.781   5.553   0.144
   20   1HA   GLY   3          1HA       GLY   3  13.448   5.811   0.141
   21   2HA   GLY   3          2HA       GLY   3  13.633   6.220  -1.565
   22    H    THR   4           H        THR   4  14.113   3.185   0.276
   23    HA   THR   4           HA       THR   4  12.214   1.899  -1.641
   24    HB   THR   4           HB       THR   4  14.961   1.344  -1.235
   25    HG1  THR   4           HG1      THR   4  12.848  -0.021  -2.521
   26   1HG2  THR   4          1HG2      THR   4  13.178  -0.829  -0.105
   27   2HG2  THR   4          2HG2      THR   4  14.856  -1.076  -0.590
   28   3HG2  THR   4          3HG2      THR   4  14.473   0.021   0.738
   29    H    ILE   5           H        ILE   5  13.469   2.025   1.656
   30    HA   ILE   5           HA       ILE   5  11.494   0.091   2.642
   31    HB   ILE   5           HB       ILE   5  13.513   1.885   4.014
   32   1HG1  ILE   5          1HG1      ILE   5  13.374  -1.131   3.923
   33   2HG1  ILE   5          2HG1      ILE   5  14.193  -0.203   2.668
   34   1HG2  ILE   5          1HG2      ILE   5  11.531   1.577   5.457
   35   2HG2  ILE   5          2HG2      ILE   5  11.641  -0.169   5.233
   36   3HG2  ILE   5          3HG2      ILE   5  12.920   0.693   6.090
   37   1HD1  ILE   5          1HD1      ILE   5  15.456   0.947   4.606
   38   2HD1  ILE   5          2HD1      ILE   5  14.870  -0.384   5.604
   39   3HD1  ILE   5          3HD1      ILE   5  15.909  -0.712   4.217
   40    H    LYS   6           H        LYS   6  12.030   3.607   2.868
   41    HA   LYS   6           HA       LYS   6   9.954   4.354   4.562
   42   1HB   LYS   6          1HB       LYS   6  11.643   5.821   3.209
   43   2HB   LYS   6          2HB       LYS   6  10.377   5.849   1.982
   44   1HG   LYS   6          1HG       LYS   6   9.832   7.730   3.254
   45   2HG   LYS   6          2HG       LYS   6   8.825   6.492   4.005
   46   1HD   LYS   6          1HD       LYS   6  10.322   6.226   5.829
   47   2HD   LYS   6          2HD       LYS   6  11.613   7.094   4.997
   48   1HE   LYS   6          1HE       LYS   6   9.165   8.697   5.272
   49   2HE   LYS   6          2HE       LYS   6   9.880   8.236   6.829
   50   1HZ   LYS   6          1HZ       LYS   6  11.807   8.970   4.811
   51   2HZ   LYS   6          2HZ       LYS   6  10.786  10.244   5.268
   52   3HZ   LYS   6          3HZ       LYS   6  11.712   9.439   6.441
   53    H    GLU   7           H        GLU   7   9.749   3.294   1.207
   54    HA   GLU   7           HA       GLU   7   6.848   3.814   1.129
   55   1HB   GLU   7          1HB       GLU   7   6.952   3.122  -1.150
   56   2HB   GLU   7          2HB       GLU   7   8.436   4.023  -0.859
   57   1HG   GLU   7          1HG       GLU   7   9.700   1.974  -0.574
   58   2HG   GLU   7          2HG       GLU   7   8.229   1.010  -0.681
   59    H    ASN   8           H        ASN   8   9.066   1.045   1.343
   60    HA   ASN   8           HA       ASN   8   7.160  -1.034   1.202
   61   1HB   ASN   8          1HB       ASN   8   9.741  -1.155   1.446
   62   2HB   ASN   8          2HB       ASN   8   9.411  -1.076   3.171
   63   1HD2  ASN   8          2HD2      ASN   8   8.866  -3.046   0.260
   64   2HD2  ASN   8          1HD2      ASN   8   8.441  -4.462   1.094
   65    H    ILE   9           H        ILE   9   7.593   1.456   3.522
   66    HA   ILE   9           HA       ILE   9   6.017   0.004   5.585
   67    HB   ILE   9           HB       ILE   9   7.241   2.771   5.709
   68   1HG1  ILE   9          1HG1      ILE   9   8.811   0.745   5.286
   69   2HG1  ILE   9          2HG1      ILE   9   9.191   1.825   6.623
   70   1HG2  ILE   9          1HG2      ILE   9   5.708   1.047   7.558
   71   2HG2  ILE   9          2HG2      ILE   9   7.155   1.778   8.252
   72   3HG2  ILE   9          3HG2      ILE   9   5.900   2.800   7.550
   73   1HD1  ILE   9          1HD1      ILE   9   7.354  -0.330   7.387
   74   2HD1  ILE   9          2HD1      ILE   9   8.913  -0.926   6.816
   75   3HD1  ILE   9          3HD1      ILE   9   8.843   0.202   8.169
   76    H    ILE  10           H        ILE  10   5.628   2.265   3.028
   77    HA   ILE  10           HA       ILE  10   2.929   2.966   4.125
   78    HB   ILE  10           HB       ILE  10   4.912   4.788   3.676
   79   1HG1  ILE  10          1HG1      ILE  10   2.900   5.356   4.827
   80   2HG1  ILE  10          2HG1      ILE  10   2.987   6.450   3.446
   81   1HG2  ILE  10          1HG2      ILE  10   3.322   4.591   1.105
   82   2HG2  ILE  10          2HG2      ILE  10   4.238   6.020   1.577
   83   3HG2  ILE  10          3HG2      ILE  10   5.074   4.495   1.292
   84   1HD1  ILE  10          1HD1      ILE  10   1.626   4.519   2.246
   85   2HD1  ILE  10          2HD1      ILE  10   1.171   4.110   3.900
   86   3HD1  ILE  10          3HD1      ILE  10   0.796   5.707   3.250
   87    H    PHE  11           H        PHE  11   4.818   2.673   1.137
   88    HA   PHE  11           HA       PHE  11   2.728   2.436  -0.713
   89   1HB   PHE  11          1HB       PHE  11   4.803   2.510  -1.726
   90   2HB   PHE  11          2HB       PHE  11   5.554   1.500  -0.501
   91    HD1  PHE  11           HD1      PHE  11   2.969   1.298  -3.190
   92    HD2  PHE  11           HD2      PHE  11   6.094  -0.692  -1.028
   93    HE1  PHE  11           HE1      PHE  11   2.734  -0.676  -4.682
   94    HE2  PHE  11           HE2      PHE  11   5.865  -2.670  -2.516
   95    HZ   PHE  11           HZ       PHE  11   4.185  -2.662  -4.342
   96    H    GLY  12           H        GLY  12   3.901   0.171   1.687
   97   1HA   GLY  12          1HA       GLY  12   2.431  -2.106   0.567
   98   2HA   GLY  12          2HA       GLY  12   3.288  -2.083   2.109
   99    H    VAL  13           H        VAL  13   2.029   0.239   3.199
  100    HA   VAL  13           HA       VAL  13  -0.403  -0.962   4.219
  101    HB   VAL  13           HB       VAL  13   0.870   1.766   4.544
  102   1HG1  VAL  13          1HG1      VAL  13  -1.879   0.918   5.091
  103   2HG1  VAL  13          2HG1      VAL  13  -1.052   1.513   6.531
  104   3HG1  VAL  13          3HG1      VAL  13  -1.184   2.538   5.101
  105   1HG2  VAL  13          1HG2      VAL  13   1.530  -0.603   5.671
  106   2HG2  VAL  13          2HG2      VAL  13   1.699   0.934   6.518
  107   3HG2  VAL  13          3HG2      VAL  13   0.284  -0.080   6.803
  108    H    SER  14           H        SER  14   0.374   1.438   1.761
  109    HA   SER  14           HA       SER  14  -2.300   2.427   1.380
  110   1HB   SER  14          1HB       SER  14  -0.109   3.438   0.496
  111   2HB   SER  14          2HB       SER  14  -0.188   2.223  -0.776
  112    HG   SER  14           HG       SER  14  -1.294   3.881  -1.615
  113    H    TYR  15           H        TYR  15  -0.468  -0.267  -0.024
  114    HA   TYR  15           HA       TYR  15  -2.401  -1.028  -1.988
  115   1HB   TYR  15          1HB       TYR  15   0.077  -1.897  -1.390
  116   2HB   TYR  15          2HB       TYR  15  -0.860  -3.165  -0.603
  117    HD1  TYR  15           HD1      TYR  15  -0.882  -1.217  -3.818
  118    HD2  TYR  15           HD2      TYR  15  -1.440  -5.014  -1.890
  119    HE1  TYR  15           HE1      TYR  15  -1.309  -2.274  -6.022
  120    HE2  TYR  15           HE2      TYR  15  -1.867  -6.070  -4.092
  121    HH   TYR  15           HH       TYR  15  -1.015  -5.137  -6.774
  122    H    ASP  16           H        ASP  16  -1.823  -2.350   1.294
  123    HA   ASP  16           HA       ASP  16  -3.978  -4.114   1.451
  124   1HB   ASP  16          1HB       ASP  16  -2.843  -2.254   3.557
  125   2HB   ASP  16          2HB       ASP  16  -4.066  -3.472   3.920
  126    H    GLU  17           H        GLU  17  -3.975  -0.614   1.519
  127    HA   GLU  17           HA       GLU  17  -6.867  -0.503   2.122
  128   1HB   GLU  17          1HB       GLU  17  -4.769   1.230   2.630
  129   2HB   GLU  17          2HB       GLU  17  -5.558   1.976   1.240
  130   1HG   GLU  17          1HG       GLU  17  -7.458   2.463   2.409
  131   2HG   GLU  17          2HG       GLU  17  -7.378   0.973   3.353
  132    H    TYR  18           H        TYR  18  -4.646  -0.313  -0.580
  133    HA   TYR  18           HA       TYR  18  -6.542   0.836  -2.453
  134   1HB   TYR  18          1HB       TYR  18  -3.815   0.250  -2.484
  135   2HB   TYR  18          2HB       TYR  18  -4.501  -0.887  -3.645
  136    HD1  TYR  18           HD1      TYR  18  -6.703   0.475  -4.874
  137    HD2  TYR  18           HD2      TYR  18  -2.922   2.084  -3.621
  138    HE1  TYR  18           HE1      TYR  18  -6.931   2.303  -6.534
  139    HE2  TYR  18           HE2      TYR  18  -3.149   3.913  -5.281
  140    HH   TYR  18           HH       TYR  18  -4.324   4.378  -7.351
  141    H    ARG  19           H        ARG  19  -5.599  -2.446  -1.520
  142    HA   ARG  19           HA       ARG  19  -7.276  -3.710  -3.543
  143   1HB   ARG  19          1HB       ARG  19  -5.557  -4.603  -1.281
  144   2HB   ARG  19          2HB       ARG  19  -6.865  -5.687  -1.755
  145   1HG   ARG  19          1HG       ARG  19  -5.929  -5.098  -4.200
  146   2HG   ARG  19          2HG       ARG  19  -4.443  -4.859  -3.281
  147   1HD   ARG  19          1HD       ARG  19  -6.085  -7.363  -3.585
  148   2HD   ARG  19          2HD       ARG  19  -4.351  -7.143  -3.818
  149    HE   ARG  19           HE       ARG  19  -4.827  -6.578  -1.113
  150   1HH1  ARG  19          1HH1      ARG  19  -6.926  -8.733  -1.488
  151   2HH1  ARG  19          2HH1      ARG  19  -6.029 -10.160  -1.091
  152   1HH2  ARG  19          1HH2      ARG  19  -2.936  -8.616  -1.385
  153   2HH2  ARG  19          2HH2      ARG  19  -3.768 -10.094  -1.037
  154    H    TYR  20           H        TYR  20  -7.521  -3.095  -0.042
  155    HA   TYR  20           HA       TYR  20  -9.940  -4.382   0.522
  156   1HB   TYR  20          1HB       TYR  20  -8.737  -3.300   2.305
  157   2HB   TYR  20          2HB       TYR  20  -8.868  -1.728   1.518
  158    HD1  TYR  20           HD1      TYR  20 -11.222  -0.759   1.145
  159    HD2  TYR  20           HD2      TYR  20 -10.411  -4.040   3.794
  160    HE1  TYR  20           HE1      TYR  20 -13.377  -0.356   2.302
  161    HE2  TYR  20           HE2      TYR  20 -12.566  -3.638   4.952
  162    HH   TYR  20           HH       TYR  20 -14.546  -0.824   4.221
  163    H    ARG  21           H        ARG  21  -9.359  -1.523  -1.390
  164    HA   ARG  21           HA       ARG  21 -12.142  -0.648  -1.407
  165   1HB   ARG  21          1HB       ARG  21  -9.629   0.368  -2.310
  166   2HB   ARG  21          2HB       ARG  21 -10.715   0.307  -3.699
  167   1HG   ARG  21          1HG       ARG  21 -12.264   1.756  -2.720
  168   2HG   ARG  21          2HG       ARG  21 -11.709   1.404  -1.083
  169   1HD   ARG  21          1HD       ARG  21 -11.040   3.686  -2.102
  170   2HD   ARG  21          2HD       ARG  21  -9.771   2.737  -1.328
  171    HE   ARG  21           HE       ARG  21  -9.893   2.076  -4.116
  172   1HH1  ARG  21          1HH2      ARG  21 -10.013   4.989  -4.450
  173   2HH1  ARG  21          2HH2      ARG  21  -8.350   5.468  -4.365
  174   1HH2  ARG  21          1HH1      ARG  21  -7.294   2.504  -2.908
  175   2HH2  ARG  21          2HH1      ARG  21  -6.810   4.062  -3.491
  176    H    SER  22           H        SER  22  -9.998  -2.216  -3.807
  177    HA   SER  22           HA       SER  22 -12.101  -2.679  -5.715
  178   1HB   SER  22          1HB       SER  22  -9.685  -2.716  -6.304
  179   2HB   SER  22          2HB       SER  22  -9.489  -4.181  -5.348
  180    HG   SER  22           HG       SER  22 -11.192  -3.829  -7.598
  181    H    VAL  23           H        VAL  23 -11.378  -4.127  -2.722
  182    HA   VAL  23           HA       VAL  23 -12.560  -6.736  -3.431
  183    HB   VAL  23           HB       VAL  23 -11.772  -5.727  -0.686
  184   1HG1  VAL  23          1HG1      VAL  23 -12.301  -8.433  -1.925
  185   2HG1  VAL  23          2HG1      VAL  23 -11.383  -8.260  -0.428
  186   3HG1  VAL  23          3HG1      VAL  23 -13.060  -7.717  -0.502
  187   1HG2  VAL  23          1HG2      VAL  23 -10.095  -6.108  -2.931
  188   2HG2  VAL  23          2HG2      VAL  23  -9.596  -5.918  -1.250
  189   3HG2  VAL  23          3HG2      VAL  23  -9.872  -7.530  -1.912
  190    H    ILE  24           H        ILE  24 -13.515  -3.696  -2.023
  191    HA   ILE  24           HA       ILE  24 -16.198  -4.889  -1.444
  192    HB   ILE  24           HB       ILE  24 -14.669  -2.713  -0.004
  193   1HG1  ILE  24          1HG1      ILE  24 -15.367  -4.173   1.961
  194   2HG1  ILE  24          2HG1      ILE  24 -15.938  -5.351   0.779
  195   1HG2  ILE  24          1HG2      ILE  24 -17.627  -3.364   0.071
  196   2HG2  ILE  24          2HG2      ILE  24 -16.805  -2.472   1.351
  197   3HG2  ILE  24          3HG2      ILE  24 -16.878  -1.806  -0.280
  198   1HD1  ILE  24          1HD1      ILE  24 -13.272  -4.452   0.097
  199   2HD1  ILE  24          2HD1      ILE  24 -13.311  -5.070   1.749
  200   3HD1  ILE  24          3HD1      ILE  24 -13.845  -6.091   0.414
  201    H    LYS  25           H        LYS  25 -14.543  -2.953  -3.550
  202    HA   LYS  25           HA       LYS  25 -17.040  -1.472  -4.244
  203   1HB   LYS  25          1HB       LYS  25 -15.038  -0.136  -3.100
  204   2HB   LYS  25          2HB       LYS  25 -14.393  -0.170  -4.741
  205   1HG   LYS  25          1HG       LYS  25 -17.204   0.491  -4.809
  206   2HG   LYS  25          2HG       LYS  25 -16.354   1.585  -3.716
  207   1HD   LYS  25          1HD       LYS  25 -15.195   0.953  -6.419
  208   2HD   LYS  25          2HD       LYS  25 -16.452   2.179  -6.257
  209   1HE   LYS  25          1HE       LYS  25 -14.651   2.750  -4.181
  210   2HE   LYS  25          2HE       LYS  25 -13.631   2.373  -5.584
  211   1HZ   LYS  25          1HZ       LYS  25 -15.390   3.769  -6.845
  212   2HZ   LYS  25          2HZ       LYS  25 -15.725   4.425  -5.314
  213   3HZ   LYS  25          3HZ       LYS  25 -14.169   4.566  -5.973
  214    H    ALA  26           H        ALA  26 -17.069  -3.476  -5.698
  215    HA   ALA  26           HA       ALA  26 -15.994  -2.716  -8.315
  216   1HB   ALA  26          1HB       ALA  26 -14.358  -4.300  -6.778
  217   2HB   ALA  26          2HB       ALA  26 -15.274  -5.503  -7.685
  218   3HB   ALA  26          3HB       ALA  26 -14.350  -4.268  -8.540
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  17.784  -0.177  -6.196
    2   2H    MET   1          2H        MET   1  16.744  -1.508  -6.344
    3   3H    MET   1          3H        MET   1  17.346  -0.744  -7.737
    4    HA   MET   1           HA       MET   1  15.993   1.122  -7.474
    5   1HB   MET   1          1HB       MET   1  14.979  -1.579  -7.260
    6   2HB   MET   1          2HB       MET   1  13.863  -0.457  -6.480
    7   1HG   MET   1          1HG       MET   1  13.089   0.013  -8.548
    8   2HG   MET   1          2HG       MET   1  14.608   0.870  -8.812
    9   1HE   MET   1          1HE       MET   1  15.580   0.804 -10.459
   10   2HE   MET   1          2HE       MET   1  16.508  -0.545 -11.111
   11   3HE   MET   1          3HE       MET   1  14.980  -0.090 -11.862
   12    HA   PRO   2           HA       PRO   2  16.278   2.033  -3.010
   13   1HB   PRO   2          1HB       PRO   2  16.620   4.726  -3.360
   14   2HB   PRO   2          2HB       PRO   2  17.958   3.562  -3.448
   15   1HG   PRO   2          1HG       PRO   2  16.445   4.876  -5.649
   16   2HG   PRO   2          2HG       PRO   2  18.172   4.507  -5.531
   17   1HD   PRO   2          1HD       PRO   2  16.411   3.015  -6.983
   18   2HD   PRO   2          2HD       PRO   2  17.896   2.355  -6.261
   19    H    GLY   3           H        GLY   3  14.996   3.919  -1.805
   20   1HA   GLY   3          1HA       GLY   3  12.972   5.095  -1.459
   21   2HA   GLY   3          2HA       GLY   3  12.563   4.821  -3.154
   22    H    THR   4           H        THR   4  13.239   2.623  -0.407
   23    HA   THR   4           HA       THR   4  10.519   1.477  -0.782
   24    HB   THR   4           HB       THR   4  12.787   0.247  -1.787
   25    HG1  THR   4           HG1      THR   4  10.314  -0.800  -0.907
   26   1HG2  THR   4          1HG2      THR   4  13.527  -0.233   0.566
   27   2HG2  THR   4          2HG2      THR   4  12.059  -1.188   0.780
   28   3HG2  THR   4          3HG2      THR   4  13.269  -1.682  -0.405
   29    H    ILE   5           H        ILE   5  13.453   1.605   1.214
   30    HA   ILE   5           HA       ILE   5  12.561   0.399   3.563
   31    HB   ILE   5           HB       ILE   5  14.194   2.945   3.308
   32   1HG1  ILE   5          1HG1      ILE   5  15.098   0.954   2.106
   33   2HG1  ILE   5          2HG1      ILE   5  16.117   1.434   3.464
   34   1HG2  ILE   5          1HG2      ILE   5  13.116   1.667   5.608
   35   2HG2  ILE   5          2HG2      ILE   5  14.843   1.312   5.582
   36   3HG2  ILE   5          3HG2      ILE   5  14.287   2.985   5.556
   37   1HD1  ILE   5          1HD1      ILE   5  14.510  -0.274   4.762
   38   2HD1  ILE   5          2HD1      ILE   5  14.393  -0.977   3.149
   39   3HD1  ILE   5          3HD1      ILE   5  15.966  -0.815   3.929
   40    H    LYS   6           H        LYS   6  11.795   3.623   2.331
   41    HA   LYS   6           HA       LYS   6  10.274   4.373   4.707
   42   1HB   LYS   6          1HB       LYS   6  11.208   5.662   2.323
   43   2HB   LYS   6          2HB       LYS   6   9.465   5.908   2.443
   44   1HG   LYS   6          1HG       LYS   6   9.865   6.561   4.882
   45   2HG   LYS   6          2HG       LYS   6  11.582   6.619   4.481
   46   1HD   LYS   6          1HD       LYS   6  10.984   8.201   2.594
   47   2HD   LYS   6          2HD       LYS   6   9.357   8.275   3.268
   48   1HE   LYS   6          1HE       LYS   6  11.924   9.056   4.697
   49   2HE   LYS   6          2HE       LYS   6  10.637  10.154   4.157
   50   1HZ   LYS   6          1HZ       LYS   6   9.086   8.725   5.503
   51   2HZ   LYS   6          2HZ       LYS   6  10.462   8.008   6.199
   52   3HZ   LYS   6          3HZ       LYS   6  10.167   9.669   6.406
   53    H    GLU   7           H        GLU   7   9.382   3.514   1.347
   54    HA   GLU   7           HA       GLU   7   6.573   3.474   1.782
   55   1HB   GLU   7          1HB       GLU   7   8.125   1.679  -0.104
   56   2HB   GLU   7          2HB       GLU   7   6.437   2.170  -0.254
   57   1HG   GLU   7          1HG       GLU   7   8.122   4.500   0.024
   58   2HG   GLU   7          2HG       GLU   7   8.695   3.495  -1.308
   59    H    ASN   8           H        ASN   8   9.019   0.908   2.122
   60    HA   ASN   8           HA       ASN   8   7.415  -1.291   2.667
   61   1HB   ASN   8          1HB       ASN   8   9.975  -1.111   2.699
   62   2HB   ASN   8          2HB       ASN   8   9.779  -0.631   4.378
   63   1HD2  ASN   8          2HD2      ASN   8   8.919  -3.281   2.114
   64   2HD2  ASN   8          1HD2      ASN   8   8.876  -4.491   3.304
   65    H    ILE   9           H        ILE   9   7.800   1.595   4.557
   66    HA   ILE   9           HA       ILE   9   6.430   0.358   6.882
   67    HB   ILE   9           HB       ILE   9   7.234   3.241   6.777
   68   1HG1  ILE   9          1HG1      ILE   9   9.140   1.958   5.827
   69   2HG1  ILE   9          2HG1      ILE   9   9.518   2.624   7.412
   70   1HG2  ILE   9          1HG2      ILE   9   6.031   2.088   8.719
   71   2HG2  ILE   9          2HG2      ILE   9   7.521   1.180   8.973
   72   3HG2  ILE   9          3HG2      ILE   9   7.522   2.937   9.129
   73   1HD1  ILE   9          1HD1      ILE   9   8.290  -0.033   7.550
   74   2HD1  ILE   9          2HD1      ILE   9   9.830  -0.023   6.689
   75   3HD1  ILE   9          3HD1      ILE   9   9.743   0.573   8.346
   76    H    ILE  10           H        ILE  10   5.747   2.244   4.095
   77    HA   ILE  10           HA       ILE  10   3.087   2.953   5.274
   78    HB   ILE  10           HB       ILE  10   4.947   4.759   4.382
   79   1HG1  ILE  10          1HG1      ILE  10   2.918   5.248   5.676
   80   2HG1  ILE  10          2HG1      ILE  10   3.055   6.352   4.307
   81   1HG2  ILE  10          1HG2      ILE  10   3.098   4.146   2.060
   82   2HG2  ILE  10          2HG2      ILE  10   3.994   5.656   2.221
   83   3HG2  ILE  10          3HG2      ILE  10   4.861   4.130   2.057
   84   1HD1  ILE  10          1HD1      ILE  10   1.618   4.521   3.068
   85   2HD1  ILE  10          2HD1      ILE  10   1.163   4.057   4.708
   86   3HD1  ILE  10          3HD1      ILE  10   0.830   5.688   4.128
   87    H    PHE  11           H        PHE  11   4.760   2.282   2.203
   88    HA   PHE  11           HA       PHE  11   2.676   1.773   0.489
   89   1HB   PHE  11          1HB       PHE  11   4.639   1.370  -0.591
   90   2HB   PHE  11          2HB       PHE  11   5.431   0.799   0.865
   91    HD1  PHE  11           HD1      PHE  11   4.879  -1.551   1.711
   92    HD2  PHE  11           HD2      PHE  11   3.879  -0.158  -2.224
   93    HE1  PHE  11           HE1      PHE  11   4.632  -3.899   0.945
   94    HE2  PHE  11           HE2      PHE  11   3.631  -2.506  -2.996
   95    HZ   PHE  11           HZ       PHE  11   4.009  -4.376  -1.409
   96    H    GLY  12           H        GLY  12   3.736  -0.179   3.219
   97   1HA   GLY  12          1HA       GLY  12   2.012  -2.443   2.571
   98   2HA   GLY  12          2HA       GLY  12   2.864  -2.196   4.099
   99    H    VAL  13           H        VAL  13   1.881   0.280   4.861
  100    HA   VAL  13           HA       VAL  13  -0.695  -0.411   5.950
  101    HB   VAL  13           HB       VAL  13   0.793   2.230   5.811
  102   1HG1  VAL  13          1HG1      VAL  13  -1.758   1.429   7.227
  103   2HG1  VAL  13          2HG1      VAL  13  -0.793   2.819   7.722
  104   3HG1  VAL  13          3HG1      VAL  13  -1.515   2.776   6.114
  105   1HG2  VAL  13          1HG2      VAL  13   1.412  -0.030   7.229
  106   2HG2  VAL  13          2HG2      VAL  13   1.823   1.606   7.745
  107   3HG2  VAL  13          3HG2      VAL  13   0.374   0.821   8.374
  108    H    SER  14           H        SER  14   0.389   1.433   3.160
  109    HA   SER  14           HA       SER  14  -2.250   2.531   2.576
  110   1HB   SER  14          1HB       SER  14   0.403   2.930   1.640
  111   2HB   SER  14          2HB       SER  14  -0.555   2.423   0.252
  112    HG   SER  14           HG       SER  14  -0.638   4.739   1.723
  113    H    TYR  15           H        TYR  15  -0.381  -0.306   1.652
  114    HA   TYR  15           HA       TYR  15  -1.991  -1.151  -0.555
  115   1HB   TYR  15          1HB       TYR  15   0.278  -2.080   0.603
  116   2HB   TYR  15          2HB       TYR  15  -0.882  -3.253   1.219
  117    HD1  TYR  15           HD1      TYR  15  -0.750  -1.402  -2.034
  118    HD2  TYR  15           HD2      TYR  15  -0.632  -5.210  -0.048
  119    HE1  TYR  15           HE1      TYR  15  -0.758  -2.551  -4.233
  120    HE2  TYR  15           HE2      TYR  15  -0.640  -6.357  -2.247
  121    HH   TYR  15           HH       TYR  15  -1.553  -5.000  -5.023
  122    H    ASP  16           H        ASP  16  -2.090  -2.135   2.890
  123    HA   ASP  16           HA       ASP  16  -4.362  -3.786   2.767
  124   1HB   ASP  16          1HB       ASP  16  -3.032  -2.168   4.855
  125   2HB   ASP  16          2HB       ASP  16  -4.738  -2.502   5.158
  126    H    GLU  17           H        GLU  17  -4.085  -0.356   2.401
  127    HA   GLU  17           HA       GLU  17  -7.028   0.001   2.629
  128   1HB   GLU  17          1HB       GLU  17  -5.227   1.593   3.668
  129   2HB   GLU  17          2HB       GLU  17  -5.070   2.206   2.022
  130   1HG   GLU  17          1HG       GLU  17  -7.392   2.822   1.941
  131   2HG   GLU  17          2HG       GLU  17  -7.727   1.980   3.454
  132    H    TYR  18           H        TYR  18  -4.522  -0.412   0.296
  133    HA   TYR  18           HA       TYR  18  -6.102   0.866  -1.860
  134   1HB   TYR  18          1HB       TYR  18  -3.333   0.217  -1.442
  135   2HB   TYR  18          2HB       TYR  18  -3.891  -0.573  -2.917
  136    HD1  TYR  18           HD1      TYR  18  -4.217   2.728  -1.153
  137    HD2  TYR  18           HD2      TYR  18  -3.846   0.652  -4.895
  138    HE1  TYR  18           HE1      TYR  18  -4.134   4.899  -2.349
  139    HE2  TYR  18           HE2      TYR  18  -3.764   2.822  -6.091
  140    HH   TYR  18           HH       TYR  18  -4.109   5.048  -5.885
  141    H    ARG  19           H        ARG  19  -4.702  -2.370  -1.213
  142    HA   ARG  19           HA       ARG  19  -5.976  -3.728  -3.340
  143   1HB   ARG  19          1HB       ARG  19  -4.606  -4.448  -0.864
  144   2HB   ARG  19          2HB       ARG  19  -5.897  -5.581  -1.264
  145   1HG   ARG  19          1HG       ARG  19  -4.657  -5.097  -3.712
  146   2HG   ARG  19          2HG       ARG  19  -3.316  -5.185  -2.569
  147   1HD   ARG  19          1HD       ARG  19  -5.033  -7.266  -1.809
  148   2HD   ARG  19          2HD       ARG  19  -5.014  -7.323  -3.571
  149    HE   ARG  19           HE       ARG  19  -2.370  -7.099  -2.295
  150   1HH1  ARG  19          1HH1      ARG  19  -4.859  -9.355  -2.841
  151   2HH1  ARG  19          2HH1      ARG  19  -3.822 -10.570  -3.509
  152   1HH2  ARG  19          1HH2      ARG  19  -1.005  -8.549  -3.496
  153   2HH2  ARG  19          2HH2      ARG  19  -1.639 -10.115  -3.877
  154    H    TYR  20           H        TYR  20  -7.277  -2.607  -0.301
  155    HA   TYR  20           HA       TYR  20  -9.584  -4.332  -0.243
  156   1HB   TYR  20          1HB       TYR  20  -8.861  -3.126   1.759
  157   2HB   TYR  20          2HB       TYR  20  -9.154  -1.581   0.959
  158    HD1  TYR  20           HD1      TYR  20 -10.779  -4.665   2.242
  159    HD2  TYR  20           HD2      TYR  20 -11.362  -0.673   0.768
  160    HE1  TYR  20           HE1      TYR  20 -13.156  -4.753   2.942
  161    HE2  TYR  20           HE2      TYR  20 -13.739  -0.761   1.469
  162    HH   TYR  20           HH       TYR  20 -15.104  -3.698   2.965
  163    H    ARG  21           H        ARG  21  -9.070  -1.026  -1.494
  164    HA   ARG  21           HA       ARG  21 -11.798  -0.746  -2.424
  165   1HB   ARG  21          1HB       ARG  21  -9.289   0.801  -2.570
  166   2HB   ARG  21          2HB       ARG  21 -10.358   1.011  -3.958
  167   1HG   ARG  21          1HG       ARG  21 -12.186   1.181  -1.990
  168   2HG   ARG  21          2HG       ARG  21 -10.776   1.772  -1.112
  169   1HD   ARG  21          1HD       ARG  21 -10.670   3.024  -3.634
  170   2HD   ARG  21          2HD       ARG  21 -12.357   3.120  -3.129
  171    HE   ARG  21           HE       ARG  21 -10.142   4.050  -1.346
  172   1HH1  ARG  21          1HH2      ARG  21 -11.139   6.134  -3.195
  173   2HH1  ARG  21          2HH2      ARG  21 -12.429   6.861  -2.297
  174   1HH2  ARG  21          1HH1      ARG  21 -12.694   4.235  -0.046
  175   2HH2  ARG  21          2HH1      ARG  21 -13.309   5.786  -0.512
  176    H    SER  22           H        SER  22  -8.798  -1.921  -3.868
  177    HA   SER  22           HA       SER  22  -9.861  -2.024  -6.568
  178   1HB   SER  22          1HB       SER  22  -7.410  -1.928  -5.996
  179   2HB   SER  22          2HB       SER  22  -7.535  -3.587  -5.417
  180    HG   SER  22           HG       SER  22  -7.060  -2.857  -7.841
  181    H    VAL  23           H        VAL  23 -10.588  -3.839  -3.847
  182    HA   VAL  23           HA       VAL  23 -11.145  -6.277  -5.483
  183    HB   VAL  23           HB       VAL  23 -11.084  -5.953  -2.467
  184   1HG1  VAL  23          1HG1      VAL  23 -12.194  -7.971  -4.185
  185   2HG1  VAL  23          2HG1      VAL  23 -10.803  -8.647  -3.334
  186   3HG1  VAL  23          3HG1      VAL  23 -12.137  -7.941  -2.422
  187   1HG2  VAL  23          1HG2      VAL  23  -8.939  -5.998  -4.190
  188   2HG2  VAL  23          2HG2      VAL  23  -8.889  -6.552  -2.516
  189   3HG2  VAL  23          3HG2      VAL  23  -9.142  -7.711  -3.821
  190    H    ILE  24           H        ILE  24 -12.644  -3.820  -3.438
  191    HA   ILE  24           HA       ILE  24 -15.291  -5.104  -3.950
  192    HB   ILE  24           HB       ILE  24 -14.399  -3.067  -1.894
  193   1HG1  ILE  24          1HG1      ILE  24 -15.261  -4.884  -0.352
  194   2HG1  ILE  24          2HG1      ILE  24 -15.419  -5.919  -1.772
  195   1HG2  ILE  24          1HG2      ILE  24 -17.172  -4.112  -2.539
  196   2HG2  ILE  24          2HG2      ILE  24 -16.764  -3.207  -1.082
  197   3HG2  ILE  24          3HG2      ILE  24 -16.623  -2.441  -2.665
  198   1HD1  ILE  24          1HD1      ILE  24 -12.809  -4.634  -1.684
  199   2HD1  ILE  24          2HD1      ILE  24 -13.113  -5.572  -0.222
  200   3HD1  ILE  24          3HD1      ILE  24 -13.204  -6.349  -1.802
  201    H    LYS  25           H        LYS  25 -13.310  -2.433  -4.823
  202    HA   LYS  25           HA       LYS  25 -15.568  -1.343  -6.417
  203   1HB   LYS  25          1HB       LYS  25 -15.063  -0.086  -4.141
  204   2HB   LYS  25          2HB       LYS  25 -13.731   0.603  -5.069
  205   1HG   LYS  25          1HG       LYS  25 -15.133   1.979  -6.167
  206   2HG   LYS  25          2HG       LYS  25 -16.152   0.621  -6.648
  207   1HD   LYS  25          1HD       LYS  25 -16.288   1.712  -3.844
  208   2HD   LYS  25          2HD       LYS  25 -17.196   2.478  -5.148
  209   1HE   LYS  25          1HE       LYS  25 -17.747  -0.213  -5.532
  210   2HE   LYS  25          2HE       LYS  25 -17.732  -0.051  -3.764
  211   1HZ   LYS  25          1HZ       LYS  25 -19.155   1.786  -5.616
  212   2HZ   LYS  25          2HZ       LYS  25 -19.902   0.536  -4.746
  213   3HZ   LYS  25          3HZ       LYS  25 -19.189   1.837  -3.919
  214    H    ALA  26           H        ALA  26 -14.565  -2.108  -8.319
  215    HA   ALA  26           HA       ALA  26 -11.928  -0.837  -8.949
  216   1HB   ALA  26          1HB       ALA  26 -12.502  -3.552  -8.880
  217   2HB   ALA  26          2HB       ALA  26 -12.650  -3.153 -10.592
  218   3HB   ALA  26          3HB       ALA  26 -11.148  -2.812  -9.734
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  15.667   1.986  -6.678
    2   2H    MET   1          2H        MET   1  14.658   1.846  -8.038
    3   3H    MET   1          3H        MET   1  15.833   3.069  -7.977
    4    HA   MET   1           HA       MET   1  14.067   4.336  -7.352
    5   1HB   MET   1          1HB       MET   1  12.568   2.436  -7.802
    6   2HB   MET   1          2HB       MET   1  12.973   1.733  -6.236
    7   1HG   MET   1          1HG       MET   1  12.212   4.342  -5.619
    8   2HG   MET   1          2HG       MET   1  11.071   3.851  -6.872
    9   1HE   MET   1          1HE       MET   1  10.917   4.618  -3.825
   10   2HE   MET   1          2HE       MET   1   9.312   4.243  -4.449
   11   3HE   MET   1          3HE       MET   1   9.888   3.475  -2.965
   12    HA   PRO   2           HA       PRO   2  16.059   4.842  -3.372
   13   1HB   PRO   2          1HB       PRO   2  15.423   7.490  -3.085
   14   2HB   PRO   2          2HB       PRO   2  16.758   6.921  -4.109
   15   1HG   PRO   2          1HG       PRO   2  14.031   7.816  -4.877
   16   2HG   PRO   2          2HG       PRO   2  15.575   8.050  -5.709
   17   1HD   PRO   2          1HD       PRO   2  13.701   6.179  -6.432
   18   2HD   PRO   2          2HD       PRO   2  15.435   6.050  -6.797
   19    H    GLY   3           H        GLY   3  15.163   5.983  -1.230
   20   1HA   GLY   3          1HA       GLY   3  13.536   5.833   0.461
   21   2HA   GLY   3          2HA       GLY   3  12.417   6.402  -0.779
   22    H    THR   4           H        THR   4  14.252   3.347  -0.586
   23    HA   THR   4           HA       THR   4  11.820   1.866  -1.278
   24    HB   THR   4           HB       THR   4  14.462   1.460  -1.818
   25    HG1  THR   4           HG1      THR   4  12.829   0.463  -2.922
   26   1HG2  THR   4          1HG2      THR   4  13.751  -0.389   0.476
   27   2HG2  THR   4          2HG2      THR   4  15.104  -0.652  -0.623
   28   3HG2  THR   4          3HG2      THR   4  15.081   0.768   0.422
   29    H    ILE   5           H        ILE   5  14.077   1.930   1.484
   30    HA   ILE   5           HA       ILE   5  12.754   0.077   3.141
   31    HB   ILE   5           HB       ILE   5  14.134   2.633   4.014
   32   1HG1  ILE   5          1HG1      ILE   5  15.666   1.412   2.636
   33   2HG1  ILE   5          2HG1      ILE   5  16.092   1.012   4.301
   34   1HG2  ILE   5          1HG2      ILE   5  12.704   0.757   5.507
   35   2HG2  ILE   5          2HG2      ILE   5  14.388   0.269   5.702
   36   3HG2  ILE   5          3HG2      ILE   5  13.888   1.905   6.136
   37   1HD1  ILE   5          1HD1      ILE   5  14.712  -1.053   4.128
   38   2HD1  ILE   5          2HD1      ILE   5  14.385  -0.668   2.439
   39   3HD1  ILE   5          3HD1      ILE   5  16.031  -1.032   2.956
   40    H    LYS   6           H        LYS   6  12.098   3.532   2.676
   41    HA   LYS   6           HA       LYS   6  10.118   3.796   4.711
   42   1HB   LYS   6          1HB       LYS   6  10.123   5.266   2.064
   43   2HB   LYS   6          2HB       LYS   6   9.482   5.831   3.608
   44   1HG   LYS   6          1HG       LYS   6  12.387   5.379   2.878
   45   2HG   LYS   6          2HG       LYS   6  11.613   6.908   3.302
   46   1HD   LYS   6          1HD       LYS   6  11.204   6.112   5.576
   47   2HD   LYS   6          2HD       LYS   6  11.868   4.529   5.167
   48   1HE   LYS   6          1HE       LYS   6  13.613   5.790   6.295
   49   2HE   LYS   6          2HE       LYS   6  14.044   5.715   4.575
   50   1HZ   LYS   6          1HZ       LYS   6  12.452   7.911   5.784
   51   2HZ   LYS   6          2HZ       LYS   6  14.132   7.997   5.536
   52   3HZ   LYS   6          3HZ       LYS   6  13.086   7.847   4.209
   53    H    GLU   7           H        GLU   7   9.738   3.143   1.208
   54    HA   GLU   7           HA       GLU   7   6.905   2.768   1.375
   55   1HB   GLU   7          1HB       GLU   7   7.047   1.841  -0.841
   56   2HB   GLU   7          2HB       GLU   7   8.203   3.162  -0.727
   57   1HG   GLU   7          1HG       GLU   7   9.978   1.796  -1.033
   58   2HG   GLU   7          2HG       GLU   7   9.332   0.570   0.050
   59    H    ASN   8           H        ASN   8   9.628   0.637   1.997
   60    HA   ASN   8           HA       ASN   8   8.154  -1.819   1.976
   61   1HB   ASN   8          1HB       ASN   8  10.569  -1.891   2.018
   62   2HB   ASN   8          2HB       ASN   8  10.593  -0.994   3.528
   63   1HD2  ASN   8          1HD2      ASN   8   9.644  -2.116   5.476
   64   2HD2  ASN   8          2HD2      ASN   8   9.647  -3.813   5.530
   65    H    ILE   9           H        ILE   9   7.969   0.926   3.945
   66    HA   ILE   9           HA       ILE   9   6.762  -0.641   6.189
   67    HB   ILE   9           HB       ILE   9   7.761   2.211   6.086
   68   1HG1  ILE   9          1HG1      ILE   9   8.821  -0.322   7.362
   69   2HG1  ILE   9          2HG1      ILE   9   9.566   0.580   6.043
   70   1HG2  ILE   9          1HG2      ILE   9   6.173   0.647   8.061
   71   2HG2  ILE   9          2HG2      ILE   9   7.484   1.630   8.712
   72   3HG2  ILE   9          3HG2      ILE   9   6.201   2.385   7.767
   73   1HD1  ILE   9          1HD1      ILE   9   9.023   1.743   8.778
   74   2HD1  ILE   9          2HD1      ILE   9  10.574   1.061   8.289
   75   3HD1  ILE   9          3HD1      ILE   9   9.938   2.487   7.468
   76    H    ILE  10           H        ILE  10   5.971   1.209   3.482
   77    HA   ILE  10           HA       ILE  10   3.264   1.774   4.645
   78    HB   ILE  10           HB       ILE  10   5.006   3.721   3.886
   79   1HG1  ILE  10          1HG1      ILE  10   2.852   4.063   5.005
   80   2HG1  ILE  10          2HG1      ILE  10   3.009   5.172   3.641
   81   1HG2  ILE  10          1HG2      ILE  10   5.059   2.932   1.537
   82   2HG2  ILE  10          2HG2      ILE  10   3.316   3.174   1.429
   83   3HG2  ILE  10          3HG2      ILE  10   4.386   4.556   1.667
   84   1HD1  ILE  10          1HD1      ILE  10   1.750   3.468   2.248
   85   2HD1  ILE  10          2HD1      ILE  10   1.419   2.598   3.745
   86   3HD1  ILE  10          3HD1      ILE  10   0.799   4.234   3.519
   87    H    PHE  11           H        PHE  11   5.180   1.080   1.800
   88    HA   PHE  11           HA       PHE  11   3.292   0.576  -0.156
   89   1HB   PHE  11          1HB       PHE  11   5.879   0.288  -0.123
   90   2HB   PHE  11          2HB       PHE  11   5.530  -1.366   0.375
   91    HD1  PHE  11           HD1      PHE  11   4.138  -2.824  -1.075
   92    HD2  PHE  11           HD2      PHE  11   5.521   1.037  -2.323
   93    HE1  PHE  11           HE1      PHE  11   3.657  -3.425  -3.444
   94    HE2  PHE  11           HE2      PHE  11   5.044   0.449  -4.696
   95    HZ   PHE  11           HZ       PHE  11   4.112  -1.785  -5.252
   96    H    GLY  12           H        GLY  12   4.053  -1.349   2.693
   97   1HA   GLY  12          1HA       GLY  12   2.324  -3.571   1.858
   98   2HA   GLY  12          2HA       GLY  12   3.151  -3.428   3.412
   99    H    VAL  13           H        VAL  13   2.244  -1.053   4.406
  100    HA   VAL  13           HA       VAL  13  -0.396  -1.706   5.321
  101    HB   VAL  13           HB       VAL  13   1.257   0.826   5.475
  102   1HG1  VAL  13          1HG1      VAL  13  -1.594   0.347   6.115
  103   2HG1  VAL  13          2HG1      VAL  13  -0.657   1.123   7.392
  104   3HG1  VAL  13          3HG1      VAL  13  -0.751   1.862   5.794
  105   1HG2  VAL  13          1HG2      VAL  13   1.618  -1.475   6.799
  106   2HG2  VAL  13          2HG2      VAL  13   1.866   0.088   7.580
  107   3HG2  VAL  13          3HG2      VAL  13   0.355  -0.789   7.822
  108    H    SER  14           H        SER  14   0.830   0.404   2.768
  109    HA   SER  14           HA       SER  14  -1.652   1.710   2.166
  110   1HB   SER  14          1HB       SER  14   0.924   1.950   1.259
  111   2HB   SER  14          2HB       SER  14   0.146   1.164  -0.111
  112    HG   SER  14           HG       SER  14  -0.063   3.710   0.765
  113    H    TYR  15           H        TYR  15  -0.102  -1.219   0.843
  114    HA   TYR  15           HA       TYR  15  -2.083  -1.848  -1.091
  115   1HB   TYR  15          1HB       TYR  15   0.247  -2.999  -0.354
  116   2HB   TYR  15          2HB       TYR  15  -0.877  -4.097   0.441
  117    HD1  TYR  15           HD1      TYR  15  -3.075  -4.560  -1.161
  118    HD2  TYR  15           HD2      TYR  15   0.914  -3.667  -2.480
  119    HE1  TYR  15           HE1      TYR  15  -3.547  -5.660  -3.332
  120    HE2  TYR  15           HE2      TYR  15   0.442  -4.770  -4.651
  121    HH   TYR  15           HH       TYR  15  -1.011  -6.011  -5.803
  122    H    ASP  16           H        ASP  16  -1.769  -2.995   2.282
  123    HA   ASP  16           HA       ASP  16  -4.095  -4.507   2.503
  124   1HB   ASP  16          1HB       ASP  16  -2.644  -2.700   4.411
  125   2HB   ASP  16          2HB       ASP  16  -4.194  -3.387   4.901
  126    H    GLU  17           H        GLU  17  -3.748  -1.029   2.257
  127    HA   GLU  17           HA       GLU  17  -6.648  -0.604   2.698
  128   1HB   GLU  17          1HB       GLU  17  -4.621   0.963   3.427
  129   2HB   GLU  17          2HB       GLU  17  -4.800   1.569   1.780
  130   1HG   GLU  17          1HG       GLU  17  -6.548   2.813   2.447
  131   2HG   GLU  17          2HG       GLU  17  -7.415   1.336   2.869
  132    H    TYR  18           H        TYR  18  -4.273  -0.839   0.152
  133    HA   TYR  18           HA       TYR  18  -5.852   0.386  -1.932
  134   1HB   TYR  18          1HB       TYR  18  -3.317  -0.144  -1.911
  135   2HB   TYR  18          2HB       TYR  18  -3.791  -1.778  -2.368
  136    HD1  TYR  18           HD1      TYR  18  -6.323   0.123  -3.708
  137    HD2  TYR  18           HD2      TYR  18  -2.129  -0.615  -4.284
  138    HE1  TYR  18           HE1      TYR  18  -6.520   0.839  -6.072
  139    HE2  TYR  18           HE2      TYR  18  -2.330   0.100  -6.650
  140    HH   TYR  18           HH       TYR  18  -3.783   1.449  -8.044
  141    H    ARG  19           H        ARG  19  -5.360  -2.987  -0.880
  142    HA   ARG  19           HA       ARG  19  -7.123  -4.117  -2.867
  143   1HB   ARG  19          1HB       ARG  19  -5.448  -5.078  -0.769
  144   2HB   ARG  19          2HB       ARG  19  -7.064  -5.731  -0.495
  145   1HG   ARG  19          1HG       ARG  19  -6.705  -5.977  -3.248
  146   2HG   ARG  19          2HG       ARG  19  -5.131  -6.402  -2.576
  147   1HD   ARG  19          1HD       ARG  19  -7.640  -7.544  -1.372
  148   2HD   ARG  19          2HD       ARG  19  -6.943  -8.271  -2.819
  149    HE   ARG  19           HE       ARG  19  -5.285  -7.911  -0.360
  150   1HH1  ARG  19          1HH1      ARG  19  -4.948  -9.283  -3.266
  151   2HH1  ARG  19          2HH1      ARG  19  -4.787 -10.925  -2.738
  152   1HH2  ARG  19          1HH2      ARG  19  -5.820 -10.261   0.504
  153   2HH2  ARG  19          2HH2      ARG  19  -5.280 -11.478  -0.603
  154    H    TYR  20           H        TYR  20  -7.589  -2.698   0.298
  155    HA   TYR  20           HA       TYR  20 -10.287  -3.714   0.664
  156   1HB   TYR  20          1HB       TYR  20  -9.046  -3.062   2.628
  157   2HB   TYR  20          2HB       TYR  20  -8.740  -1.456   1.966
  158    HD1  TYR  20           HD1      TYR  20 -11.720  -3.685   2.497
  159    HD2  TYR  20           HD2      TYR  20 -10.032   0.246   2.876
  160    HE1  TYR  20           HE1      TYR  20 -13.839  -2.871   3.494
  161    HE2  TYR  20           HE2      TYR  20 -12.152   1.060   3.872
  162    HH   TYR  20           HH       TYR  20 -14.110   0.362   4.848
  163    H    ARG  21           H        ARG  21  -8.915  -1.312  -1.309
  164    HA   ARG  21           HA       ARG  21 -11.457   0.232  -1.435
  165   1HB   ARG  21          1HB       ARG  21  -9.017   1.250  -1.308
  166   2HB   ARG  21          2HB       ARG  21  -9.022   0.932  -3.043
  167   1HG   ARG  21          1HG       ARG  21 -11.181   2.189  -3.216
  168   2HG   ARG  21          2HG       ARG  21 -11.029   2.608  -1.509
  169   1HD   ARG  21          1HD       ARG  21  -9.465   4.194  -1.923
  170   2HD   ARG  21          2HD       ARG  21  -8.598   3.162  -3.061
  171    HE   ARG  21           HE       ARG  21 -10.965   4.841  -3.773
  172   1HH1  ARG  21          1HH1      ARG  21  -9.030   2.332  -4.894
  173   2HH1  ARG  21          2HH1      ARG  21  -8.624   3.086  -6.400
  174   1HH2  ARG  21          1HH2      ARG  21 -10.071   6.126  -5.569
  175   2HH2  ARG  21          2HH2      ARG  21  -9.211   5.237  -6.780
  176    H    SER  22           H        SER  22  -9.167  -1.524  -3.536
  177    HA   SER  22           HA       SER  22 -10.827  -1.268  -5.895
  178   1HB   SER  22          1HB       SER  22  -8.405  -1.701  -6.054
  179   2HB   SER  22          2HB       SER  22  -8.624  -3.254  -5.253
  180    HG   SER  22           HG       SER  22  -9.154  -2.486  -7.846
  181    H    VAL  23           H        VAL  23 -10.446  -3.728  -3.372
  182    HA   VAL  23           HA       VAL  23 -12.064  -5.745  -4.591
  183    HB   VAL  23           HB       VAL  23 -11.531  -5.122  -1.671
  184   1HG1  VAL  23          1HG1      VAL  23 -13.636  -6.459  -2.092
  185   2HG1  VAL  23          2HG1      VAL  23 -12.630  -7.679  -2.871
  186   3HG1  VAL  23          3HG1      VAL  23 -12.406  -7.314  -1.161
  187   1HG2  VAL  23          1HG2      VAL  23  -9.609  -5.769  -3.235
  188   2HG2  VAL  23          2HG2      VAL  23  -9.834  -6.801  -1.823
  189   3HG2  VAL  23          3HG2      VAL  23 -10.403  -7.335  -3.403
  190    H    ILE  24           H        ILE  24 -12.908  -3.200  -2.219
  191    HA   ILE  24           HA       ILE  24 -15.776  -3.811  -2.610
  192    HB   ILE  24           HB       ILE  24 -14.374  -1.805  -0.815
  193   1HG1  ILE  24          1HG1      ILE  24 -15.188  -3.427   0.962
  194   2HG1  ILE  24          2HG1      ILE  24 -15.582  -4.544  -0.344
  195   1HG2  ILE  24          1HG2      ILE  24 -17.184  -2.207  -1.553
  196   2HG2  ILE  24          2HG2      ILE  24 -16.912  -2.286   0.187
  197   3HG2  ILE  24          3HG2      ILE  24 -16.428  -0.851  -0.717
  198   1HD1  ILE  24          1HD1      ILE  24 -12.839  -3.327  -0.219
  199   2HD1  ILE  24          2HD1      ILE  24 -13.231  -4.700   0.818
  200   3HD1  ILE  24          3HD1      ILE  24 -13.346  -4.857  -0.935
  201    H    LYS  25           H        LYS  25 -13.657  -2.227  -4.430
  202    HA   LYS  25           HA       LYS  25 -14.504   0.412  -4.793
  203   1HB   LYS  25          1HB       LYS  25 -12.958  -1.452  -6.246
  204   2HB   LYS  25          2HB       LYS  25 -14.172  -0.846  -7.372
  205   1HG   LYS  25          1HG       LYS  25 -13.565   1.485  -6.704
  206   2HG   LYS  25          2HG       LYS  25 -12.271   0.824  -5.703
  207   1HD   LYS  25          1HD       LYS  25 -10.940   0.820  -7.517
  208   2HD   LYS  25          2HD       LYS  25 -11.996  -0.398  -8.235
  209   1HE   LYS  25          1HE       LYS  25 -11.899   1.456  -9.791
  210   2HE   LYS  25          2HE       LYS  25 -13.488   1.539  -9.002
  211   1HZ   LYS  25          1HZ       LYS  25 -11.058   2.972  -8.070
  212   2HZ   LYS  25          2HZ       LYS  25 -12.311   3.688  -8.960
  213   3HZ   LYS  25          3HZ       LYS  25 -12.615   3.087  -7.400
  214    H    ALA  26           H        ALA  26 -16.177   1.390  -6.016
  215    HA   ALA  26           HA       ALA  26 -18.372  -0.463  -6.857
  216   1HB   ALA  26          1HB       ALA  26 -18.448   2.061  -5.232
  217   2HB   ALA  26          2HB       ALA  26 -19.829   1.649  -6.251
  218   3HB   ALA  26          3HB       ALA  26 -19.312   0.545  -4.976
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  12.622   2.383  -8.384
    2   2H    MET   1          2H        MET   1  12.051   3.247  -9.732
    3   3H    MET   1          3H        MET   1  13.722   3.055  -9.488
    4    HA   MET   1           HA       MET   1  13.438   5.192  -8.716
    5   1HB   MET   1          1HB       MET   1  11.054   5.213  -9.150
    6   2HB   MET   1          2HB       MET   1  10.755   4.110  -7.805
    7   1HG   MET   1          1HG       MET   1  11.894   5.939  -6.346
    8   2HG   MET   1          2HG       MET   1  11.580   7.006  -7.715
    9   1HE   MET   1          1HE       MET   1   9.290   6.674  -9.021
   10   2HE   MET   1          2HE       MET   1   8.841   5.022  -8.577
   11   3HE   MET   1          3HE       MET   1   7.741   6.358  -8.244
   12    HA   PRO   2           HA       PRO   2  15.207   4.025  -4.845
   13   1HB   PRO   2          1HB       PRO   2  15.776   6.538  -3.915
   14   2HB   PRO   2          2HB       PRO   2  16.720   5.741  -5.188
   15   1HG   PRO   2          1HG       PRO   2  14.615   7.828  -5.420
   16   2HG   PRO   2          2HG       PRO   2  16.113   7.626  -6.342
   17   1HD   PRO   2          1HD       PRO   2  13.647   6.919  -7.283
   18   2HD   PRO   2          2HD       PRO   2  15.163   6.158  -7.814
   19    H    GLY   3           H        GLY   3  14.893   4.682  -2.429
   20   1HA   GLY   3          1HA       GLY   3  13.471   5.153  -0.606
   21   2HA   GLY   3          2HA       GLY   3  12.419   6.035  -1.717
   22    H    THR   4           H        THR   4  13.419   2.666  -1.034
   23    HA   THR   4           HA       THR   4  10.599   1.869  -1.626
   24    HB   THR   4           HB       THR   4  13.009   0.955  -2.778
   25    HG1  THR   4           HG1      THR   4  11.611  -0.096  -4.027
   26   1HG2  THR   4          1HG2      THR   4  13.243  -0.480  -0.704
   27   2HG2  THR   4          2HG2      THR   4  11.742  -1.278  -1.171
   28   3HG2  THR   4          3HG2      THR   4  13.157  -1.382  -2.217
   29    H    ILE   5           H        ILE   5  13.389   1.375   0.499
   30    HA   ILE   5           HA       ILE   5  12.302  -0.581   2.223
   31    HB   ILE   5           HB       ILE   5  14.143   1.745   2.853
   32   1HG1  ILE   5          1HG1      ILE   5  14.962   0.096   1.175
   33   2HG1  ILE   5          2HG1      ILE   5  15.901   0.043   2.667
   34   1HG2  ILE   5          1HG2      ILE   5  12.778  -0.019   4.622
   35   2HG2  ILE   5          2HG2      ILE   5  14.470  -0.516   4.588
   36   3HG2  ILE   5          3HG2      ILE   5  14.046   1.141   5.017
   37   1HD1  ILE   5          1HD1      ILE   5  14.339  -1.829   3.425
   38   2HD1  ILE   5          2HD1      ILE   5  13.750  -1.881   1.763
   39   3HD1  ILE   5          3HD1      ILE   5  15.442  -2.235   2.110
   40    H    LYS   6           H        LYS   6  12.038   2.974   2.400
   41    HA   LYS   6           HA       LYS   6  10.441   3.053   4.762
   42   1HB   LYS   6          1HB       LYS   6   9.929   5.318   4.159
   43   2HB   LYS   6          2HB       LYS   6  11.575   5.019   3.599
   44   1HG   LYS   6          1HG       LYS   6  10.733   4.554   1.334
   45   2HG   LYS   6          2HG       LYS   6   9.080   4.829   1.885
   46   1HD   LYS   6          1HD       LYS   6  11.222   6.930   2.220
   47   2HD   LYS   6          2HD       LYS   6  10.280   6.803   0.735
   48   1HE   LYS   6          1HE       LYS   6   8.569   6.695   3.103
   49   2HE   LYS   6          2HE       LYS   6   9.506   8.201   3.020
   50   1HZ   LYS   6          1HZ       LYS   6   8.082   7.041   0.691
   51   2HZ   LYS   6          2HZ       LYS   6   7.387   8.209   1.705
   52   3HZ   LYS   6          3HZ       LYS   6   8.783   8.584   0.813
   53    H    GLU   7           H        GLU   7   9.596   2.628   1.354
   54    HA   GLU   7           HA       GLU   7   6.739   2.800   1.768
   55   1HB   GLU   7          1HB       GLU   7   8.258   1.360  -0.431
   56   2HB   GLU   7          2HB       GLU   7   6.566   1.854  -0.478
   57   1HG   GLU   7          1HG       GLU   7   8.190   4.121   0.226
   58   2HG   GLU   7          2HG       GLU   7   8.832   3.382  -1.241
   59    H    ASN   8           H        ASN   8   8.977   0.039   1.367
   60    HA   ASN   8           HA       ASN   8   7.184  -2.071   1.665
   61   1HB   ASN   8          1HB       ASN   8   9.468  -2.584   1.240
   62   2HB   ASN   8          2HB       ASN   8   9.983  -1.746   2.696
   63   1HD2  ASN   8          2HD2      ASN   8   8.077  -4.593   1.627
   64   2HD2  ASN   8          1HD2      ASN   8   8.352  -5.499   3.036
   65    H    ILE   9           H        ILE   9   8.147   0.278   4.030
   66    HA   ILE   9           HA       ILE   9   7.065  -1.322   6.271
   67    HB   ILE   9           HB       ILE   9   8.196   1.485   6.237
   68   1HG1  ILE   9          1HG1      ILE   9   9.417  -1.223   6.827
   69   2HG1  ILE   9          2HG1      ILE   9   9.911  -0.076   5.581
   70   1HG2  ILE   9          1HG2      ILE   9   6.692   0.130   8.193
   71   2HG2  ILE   9          2HG2      ILE   9   8.368   0.000   8.724
   72   3HG2  ILE   9          3HG2      ILE   9   7.659   1.587   8.426
   73   1HD1  ILE   9          1HD1      ILE   9  10.052   1.485   7.809
   74   2HD1  ILE   9          2HD1      ILE   9  10.499  -0.087   8.471
   75   3HD1  ILE   9          3HD1      ILE   9  11.421   0.602   7.135
   76    H    ILE  10           H        ILE  10   5.956   0.942   3.975
   77    HA   ILE  10           HA       ILE  10   3.571   1.511   5.700
   78    HB   ILE  10           HB       ILE  10   5.279   3.400   4.681
   79   1HG1  ILE  10          1HG1      ILE  10   3.657   3.946   6.337
   80   2HG1  ILE  10          2HG1      ILE  10   3.273   4.969   4.951
   81   1HG2  ILE  10          1HG2      ILE  10   3.026   3.065   2.681
   82   2HG2  ILE  10          2HG2      ILE  10   4.017   4.518   2.819
   83   3HG2  ILE  10          3HG2      ILE  10   4.758   2.987   2.355
   84   1HD1  ILE  10          1HD1      ILE  10   1.777   2.818   4.321
   85   2HD1  ILE  10          2HD1      ILE  10   1.771   2.662   6.079
   86   3HD1  ILE  10          3HD1      ILE  10   1.168   4.137   5.323
   87    H    PHE  11           H        PHE  11   4.692   1.116   2.362
   88    HA   PHE  11           HA       PHE  11   2.324   0.808   0.978
   89   1HB   PHE  11          1HB       PHE  11   4.134   0.559  -0.411
   90   2HB   PHE  11          2HB       PHE  11   5.070  -0.309   0.796
   91    HD1  PHE  11           HD1      PHE  11   1.728  -0.965  -0.758
   92    HD2  PHE  11           HD2      PHE  11   5.727  -2.360  -0.055
   93    HE1  PHE  11           HE1      PHE  11   1.169  -3.115  -1.871
   94    HE2  PHE  11           HE2      PHE  11   5.173  -4.512  -1.166
   95    HZ   PHE  11           HZ       PHE  11   2.894  -4.890  -2.073
   96    H    GLY  12           H        GLY  12   3.872  -1.474   3.193
   97   1HA   GLY  12          1HA       GLY  12   2.020  -3.646   2.687
   98   2HA   GLY  12          2HA       GLY  12   3.095  -3.516   4.083
   99    H    VAL  13           H        VAL  13   2.343  -1.342   5.409
  100    HA   VAL  13           HA       VAL  13  -0.092  -2.038   6.707
  101    HB   VAL  13           HB       VAL  13   1.452   0.573   6.608
  102   1HG1  VAL  13          1HG1      VAL  13  -1.025  -0.222   8.131
  103   2HG1  VAL  13          2HG1      VAL  13   0.091   0.981   8.777
  104   3HG1  VAL  13          3HG1      VAL  13  -0.714   1.263   7.233
  105   1HG2  VAL  13          1HG2      VAL  13   1.598  -1.926   8.154
  106   2HG2  VAL  13          2HG2      VAL  13   2.820  -0.676   7.923
  107   3HG2  VAL  13          3HG2      VAL  13   1.576  -0.475   9.157
  108    H    SER  14           H        SER  14   0.637   0.472   4.282
  109    HA   SER  14           HA       SER  14  -2.033   1.458   4.020
  110   1HB   SER  14          1HB       SER  14   0.416   2.094   2.906
  111   2HB   SER  14          2HB       SER  14  -0.448   1.402   1.536
  112    HG   SER  14           HG       SER  14  -0.676   3.798   2.277
  113    H    TYR  15           H        TYR  15  -0.418  -1.396   2.893
  114    HA   TYR  15           HA       TYR  15  -2.118  -2.121   0.718
  115   1HB   TYR  15          1HB       TYR  15   0.089  -3.221   1.629
  116   2HB   TYR  15          2HB       TYR  15  -1.009  -4.158   2.635
  117    HD1  TYR  15           HD1      TYR  15  -0.629  -3.062  -0.937
  118    HD2  TYR  15           HD2      TYR  15  -1.881  -6.139   1.786
  119    HE1  TYR  15           HE1      TYR  15  -1.132  -4.553  -2.852
  120    HE2  TYR  15           HE2      TYR  15  -2.386  -7.630  -0.130
  121    HH   TYR  15           HH       TYR  15  -2.992  -7.284  -2.615
  122    H    ASP  16           H        ASP  16  -2.190  -3.214   4.118
  123    HA   ASP  16           HA       ASP  16  -4.581  -4.645   4.099
  124   1HB   ASP  16          1HB       ASP  16  -3.406  -2.810   6.193
  125   2HB   ASP  16          2HB       ASP  16  -4.904  -3.696   6.482
  126    H    GLU  17           H        GLU  17  -4.102  -1.197   3.841
  127    HA   GLU  17           HA       GLU  17  -7.023  -0.697   4.011
  128   1HB   GLU  17          1HB       GLU  17  -5.001   0.803   4.948
  129   2HB   GLU  17          2HB       GLU  17  -5.089   1.470   3.317
  130   1HG   GLU  17          1HG       GLU  17  -7.370   1.279   5.306
  131   2HG   GLU  17          2HG       GLU  17  -6.553   2.755   4.789
  132    H    TYR  18           H        TYR  18  -4.404  -0.991   1.734
  133    HA   TYR  18           HA       TYR  18  -5.824   0.245  -0.491
  134   1HB   TYR  18          1HB       TYR  18  -3.255  -0.109  -0.196
  135   2HB   TYR  18          2HB       TYR  18  -3.575  -1.742  -0.786
  136    HD1  TYR  18           HD1      TYR  18  -4.839  -1.998  -3.008
  137    HD2  TYR  18           HD2      TYR  18  -3.102   1.706  -1.697
  138    HE1  TYR  18           HE1      TYR  18  -4.904  -1.142  -5.336
  139    HE2  TYR  18           HE2      TYR  18  -3.168   2.562  -4.023
  140    HH   TYR  18           HH       TYR  18  -4.146   2.199  -6.086
  141    H    ARG  19           H        ARG  19  -5.248  -3.069   0.668
  142    HA   ARG  19           HA       ARG  19  -6.329  -4.583  -1.401
  143   1HB   ARG  19          1HB       ARG  19  -5.986  -4.904   1.466
  144   2HB   ARG  19          2HB       ARG  19  -7.487  -5.661   0.930
  145   1HG   ARG  19          1HG       ARG  19  -5.745  -6.426  -1.048
  146   2HG   ARG  19          2HG       ARG  19  -4.696  -6.422   0.370
  147   1HD   ARG  19          1HD       ARG  19  -5.556  -8.537   0.617
  148   2HD   ARG  19          2HD       ARG  19  -6.841  -7.649   1.436
  149    HE   ARG  19           HE       ARG  19  -8.266  -8.326  -0.303
  150   1HH1  ARG  19          1HH1      ARG  19  -5.082  -9.179  -1.084
  151   2HH1  ARG  19          2HH1      ARG  19  -5.374  -9.356  -2.782
  152   1HH2  ARG  19          1HH2      ARG  19  -8.619  -8.145  -2.620
  153   2HH2  ARG  19          2HH2      ARG  19  -7.375  -8.767  -3.652
  154    H    TYR  20           H        TYR  20  -8.011  -2.633   1.016
  155    HA   TYR  20           HA       TYR  20 -10.679  -3.416   0.231
  156   1HB   TYR  20          1HB       TYR  20 -10.542  -2.413   2.361
  157   2HB   TYR  20          2HB       TYR  20  -9.505  -1.111   1.784
  158    HD1  TYR  20           HD1      TYR  20 -10.495   0.613   0.178
  159    HD2  TYR  20           HD2      TYR  20 -12.896  -2.169   2.402
  160    HE1  TYR  20           HE1      TYR  20 -12.490   2.038  -0.192
  161    HE2  TYR  20           HE2      TYR  20 -14.891  -0.743   2.032
  162    HH   TYR  20           HH       TYR  20 -15.662   0.962   0.450
  163    H    ARG  21           H        ARG  21  -8.536  -0.722  -0.665
  164    HA   ARG  21           HA       ARG  21 -10.412   0.551  -2.441
  165   1HB   ARG  21          1HB       ARG  21  -7.617   0.862  -1.669
  166   2HB   ARG  21          2HB       ARG  21  -7.854   1.143  -3.395
  167   1HG   ARG  21          1HG       ARG  21  -9.704   2.707  -2.864
  168   2HG   ARG  21          2HG       ARG  21  -9.387   2.473  -1.145
  169   1HD   ARG  21          1HD       ARG  21  -7.248   3.496  -1.287
  170   2HD   ARG  21          2HD       ARG  21  -7.223   3.384  -3.047
  171    HE   ARG  21           HE       ARG  21  -8.396   5.421  -3.105
  172   1HH1  ARG  21          1HH2      ARG  21  -7.472   6.016  -0.309
  173   2HH1  ARG  21          2HH2      ARG  21  -8.969   6.338   0.502
  174   1HH2  ARG  21          1HH1      ARG  21 -10.926   4.891  -1.968
  175   2HH2  ARG  21          2HH1      ARG  21 -10.923   5.698  -0.435
  176    H    SER  22           H        SER  22  -8.190  -2.115  -2.765
  177    HA   SER  22           HA       SER  22  -8.271  -2.149  -5.685
  178   1HB   SER  22          1HB       SER  22  -6.382  -3.060  -4.216
  179   2HB   SER  22          2HB       SER  22  -7.443  -4.422  -3.871
  180    HG   SER  22           HG       SER  22  -7.130  -5.150  -5.829
  181    H    VAL  23           H        VAL  23  -9.773  -4.065  -3.067
  182    HA   VAL  23           HA       VAL  23 -11.146  -5.916  -4.718
  183    HB   VAL  23           HB       VAL  23 -12.123  -4.740  -2.099
  184   1HG1  VAL  23          1HG1      VAL  23 -12.716  -7.321  -3.575
  185   2HG1  VAL  23          2HG1      VAL  23 -13.202  -7.007  -1.909
  186   3HG1  VAL  23          3HG1      VAL  23 -13.851  -6.020  -3.218
  187   1HG2  VAL  23          1HG2      VAL  23  -9.756  -6.184  -2.645
  188   2HG2  VAL  23          2HG2      VAL  23 -10.465  -5.859  -1.063
  189   3HG2  VAL  23          3HG2      VAL  23 -10.876  -7.341  -1.925
  190    H    ILE  24           H        ILE  24 -12.204  -2.726  -3.511
  191    HA   ILE  24           HA       ILE  24 -14.612  -2.903  -5.231
  192    HB   ILE  24           HB       ILE  24 -13.700  -0.830  -3.215
  193   1HG1  ILE  24          1HG1      ILE  24 -15.817  -1.709  -2.061
  194   2HG1  ILE  24          2HG1      ILE  24 -15.768  -3.041  -3.216
  195   1HG2  ILE  24          1HG2      ILE  24 -15.968  -0.908  -5.172
  196   2HG2  ILE  24          2HG2      ILE  24 -16.249  -0.194  -3.583
  197   3HG2  ILE  24          3HG2      ILE  24 -14.998   0.466  -4.637
  198   1HD1  ILE  24          1HD1      ILE  24 -13.248  -2.393  -1.752
  199   2HD1  ILE  24          2HD1      ILE  24 -14.532  -3.197  -0.849
  200   3HD1  ILE  24          3HD1      ILE  24 -13.861  -3.955  -2.294
  201    H    LYS  25           H        LYS  25 -11.427  -1.716  -5.368
  202    HA   LYS  25           HA       LYS  25 -10.368  -0.150  -6.781
  203   1HB   LYS  25          1HB       LYS  25 -10.701  -1.922  -8.360
  204   2HB   LYS  25          2HB       LYS  25 -12.407  -1.515  -8.549
  205   1HG   LYS  25          1HG       LYS  25 -11.909  -0.053 -10.184
  206   2HG   LYS  25          2HG       LYS  25 -10.819   0.817  -9.103
  207   1HD   LYS  25          1HD       LYS  25  -9.230   0.129 -10.596
  208   2HD   LYS  25          2HD       LYS  25  -9.297  -1.360  -9.653
  209   1HE   LYS  25          1HE       LYS  25  -9.877  -2.430 -11.570
  210   2HE   LYS  25          2HE       LYS  25 -11.420  -1.553 -11.509
  211   1HZ   LYS  25          1HZ       LYS  25 -10.041   0.387 -12.440
  212   2HZ   LYS  25          2HZ       LYS  25  -8.927  -0.809 -12.903
  213   3HZ   LYS  25          3HZ       LYS  25 -10.511  -0.848 -13.507
  214    H    ALA  26           H        ALA  26 -11.177   1.770  -5.673
  215    HA   ALA  26           HA       ALA  26 -12.081   3.940  -5.838
  216   1HB   ALA  26          1HB       ALA  26 -12.182   2.947  -8.500
  217   2HB   ALA  26          2HB       ALA  26 -13.747   3.690  -8.167
  218   3HB   ALA  26          3HB       ALA  26 -12.266   4.629  -7.972