*HEADER    CHLORIDE CHANNEL                        26-APR-99   1CKY              
*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, F508 MUTATION REGION;                                 
*COMPND   6 SYNONYM: P26 IN H2O;                                                 
*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 TRANSMEMBRANE           
*SOURCE   5 REGULATOR NUCLEOTIDE BINDING DOMAIN 1.                               
*KEYWDS    CYSTIC FIBROSIS, PEPTIDES, NMR                                        
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    M.A.MASSIAH, Y.H.KO, P.L.PEDERSEN, A.S.MILDVAN                        
*REVDAT   1   04-MAY-99 1CKY    0                                                
set message=off echo=off end
!cf_p26peptide in H2O/10% DMSO 
! 10% DMSO (deuterated), 90% 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 P26peptide                      !
!......................................................................!
!                               Labile HELIX 
!.................................(NH-NHi+1)........................
assign (resid 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 1.5  {}
assign (resid 5 and name hn   ) (resid 6 and name hn   ) 1.8 0 1.5  {}
assign (resid 6 and name hn   ) (resid 7 and name hn   ) 1.8 0 1.5  {}
assign (resid 7 and name hn   ) (resid 8 and name hn   ) 1.8 0 1.5  {}
assign (resid 8 and name hn   ) (resid 9 and name hn   ) 1.8 0 1.5  {}
assign (resid 9 and name hn   ) (resid 10 and name hn  ) 1.8 0 3.2  {}
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 11 and name hn  ) (resid 12 and name hn  ) 1.8 0 1.5  {}
assign (resid 12 and name hn  ) (resid 13 and name hn  ) 1.8 0 1.5  {}
assign (resid 13 and name hn  ) (resid 14 and name hn  ) 1.8 0 1.5  {}
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name hn  ) (resid 16 and name hn  ) 1.8 0 1.5  {}
assign (resid 16 and name hn  ) (resid 17 and name hn  ) 1.8 0 1.5  {}
assign (resid 17 and name hn  ) (resid 18 and name hn  ) 1.8 0 1.5  {}
assign (resid 18 and name hn  ) (resid 19 and name hn  ) 1.8 0 2.0  {}
assign (resid 19 and name hn  ) (resid 20 and name hn  ) 1.8 0 2.0  {}
assign (resid 20 and name hn  ) (resid 21 and name hn  ) 1.8 0 1.5  {}
assign (resid 21 and name hn  ) (resid 22 and name hn  ) 1.8 0 1.5  {}
assign (resid 22 and name hn  ) (resid 23 and name hn  ) 1.8 0 1.5  {}
assign (resid 23 and name hn  ) (resid 24 and name hn  ) 1.8 0 1.5  {}
assign (resid 24 and name hn  ) (resid 25 and name hn  ) 1.8 0 1.5  {}
!.................................(NH-NHi+2)........................
assign (resid 6 and name hn   ) (resid 8 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 17 and name hn  ) (resid 19 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 21 and name hn  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 23 and name hn  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.................................(NH-NHi+3)........................
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 22 and name hn  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!....................................(Ha-NHi+1)........................
assign (resid 2 and name ha   ) (resid 3 and name hn   ) 1.8 0 1.5  {ms}
assign (resid 3 and name ha1  ) (resid 4 and name hn   ) 1.8 0 1.0  {s}
assign (resid 3 and name ha2  ) (resid 4 and name hn   ) 1.8 0 1.0  {s}
assign (resid 4 and name ha   ) (resid 5 and name hn   ) 1.8 0 1.0  {s}
assign (resid 5 and name ha   ) (resid 6 and name hn   ) 1.8 0 1.5  {s}
assign (resid 6 and name ha   ) (resid 7 and name hn   ) 1.8 0 1.0  {s}
assign (resid 7 and name ha   ) (resid 8 and name hn   ) 1.8 0 1.0  {s}
assign (resid 8 and name ha   ) (resid 9 and name hn   ) 1.8 0 1.0  {s}
assign (resid 9 and name ha   ) (resid 10 and name hn  ) 1.8 0 1.5  {s}
assign (resid 10 and name ha  ) (resid 11 and name hn  ) 1.8 0 1.0  {s}
assign (resid 11 and name ha  ) (resid 12 and name hn  ) 1.8 0 1.0  {s}
assign (resid 12 and name ha1 ) (resid 13 and name hn  ) 1.8 0 1.5  {}
assign (resid 12 and name ha2 ) (resid 13 and name hn  ) 1.8 0 1.5  {}
assign (resid 13 and name ha  ) (resid 14 and name hn  ) 1.8 0 1.0  {s}
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 1.0  {s}
assign (resid 16 and name ha  ) (resid 17 and name hn  ) 1.8 0 1.0  {s}
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.8 0 1.5  {s}
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.8 0 1.5  {s}
assign (resid 19 and name ha  ) (resid 20 and name hn  ) 1.8 0 1.0  {s}
assign (resid 20 and name ha  ) (resid 21 and name hn  ) 1.8 0 1.5  {s}
assign (resid 21 and name ha  ) (resid 22 and name hn  ) 1.8 0 1.0  {s}
assign (resid 22 and name ha  ) (resid 23 and name hn  ) 1.8 0 1.0  {s}
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 1.0  {s}
!.............................(Ha-NHi+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 12 and name ha1 ) (resid 14 and name hn  ) 1.8 0 3.2  {}
assign (resid 12 and name ha2 ) (resid 14 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 17 and name ha  ) (resid 19 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 19 and name ha  ) (resid 21 and name hn  ) 1.8 0 3.2  {}
assign (resid 20 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
assign (resid 21 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {}
assign (resid 22 and name ha  ) (resid 24 and name hn  ) 1.8 0 3.2  {}
!.............................(Ha-NHi+3)................................
assign (resid 9 and name ha   ) (resid 12 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 16 and name ha  ) (resid 19 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 22 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.2  {}
!.........................................................................
!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 3.2  {}
assign (resid 1 and name ha ) (resid 1 and name hg2  ) 1.8 0 3.2  {}
!pro2
assign (resid 2 and name ha ) (resid 2 and name hb1  ) 1.8 0 3.2  {}
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  {}
assign (resid 2 and name ha ) (resid 2 and name hg2  ) 1.8 0 3.2  {}
assign (resid 1 and name ha ) (resid 2 and name hd1  ) 1.8 0 3.2  {}
assign (resid 1 and name ha ) (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 3.2  {}
assign (resid 3 and name hn ) (resid 3 and name ha2  ) 1.8 0 3.2  {}
!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  {s}
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  {s}
assign (resid 4 and name ha ) (resid 4 and name hb   ) 1.8 0 3.2  {}
!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  {s}
assign (resid 5 and name hn ) (resid 5 and name hg11 ) 1.8 0 1.5  {}
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 hd*  ) 1.8 0 3.0  {}
assign (resid 5 and name hn ) (resid 5 and name hg2* ) 1.8 0 4.2  {}
assign (resid 5 and name ha ) (resid 5 and name hb   ) 1.8 0 3.2  {}
assign (resid 5 and name ha ) (resid 5 and name hg11 ) 1.8 0 3.2  {}
assign (resid 5 and name ha ) (resid 5 and name hg12 ) 1.8 0 3.2  {}
assign (resid 5 and name ha ) (resid 5 and name hd*  ) 1.8 0 2.5  {}
assign (resid 5 and name ha ) (resid 5 and name hg2* ) 1.8 0 4.2  {}
assign (resid 5 and name hn ) (resid 4 and name hg2* ) 1.8 0 4.2  {}
!lys6
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  {}
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 hn ) (resid 5 and name hg2* ) 1.8 0 2.5  {m}
assign (resid 6 and name hn ) (resid 5 and name hb   ) 1.8 0 3.2  {}
!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 hb1  ) 1.8 0 2.0  {m}
assign (resid 7 and name hn ) (resid 7 and name hb2  ) 1.8 0 2.0  {m}
assign (resid 7 and name hn ) (resid 7 and name hg1  ) 1.8 0 3.2  {}
assign (resid 7 and name hn ) (resid 7 and name hg2  ) 1.8 0 3.2  {}
assign (resid 7 and name ha ) (resid 7 and name hb1  ) 1.8 0 3.2  {m}
assign (resid 7 and name ha ) (resid 7 and name hb2  ) 1.8 0 3.2  {m}
assign (resid 7 and name ha ) (resid 7 and name hg1  ) 1.8 0 1.5  {}
assign (resid 7 and name ha ) (resid 7 and name hg2  ) 1.8 0 1.5  {}
assign (resid 7 and name hn ) (resid 6 and name hb*  ) 1.8 0 3.7  {}
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  {}
!asn8
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 1.5  {}
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 3.2  {}
assign (resid 8 and name ha ) (resid 8 and name hb2  ) 1.8 0 3.2  {}
assign (resid 8 and name hn ) (resid 7 and name hb1  ) 1.8 0 3.2  {}
assign (resid 8 and name hn ) (resid 7 and name hb2  ) 1.8 0 3.2  {}
assign (resid 8 and name hn ) (resid 7 and name hg1  ) 1.8 0 3.2  {}
assign (resid 8 and name hn ) (resid 7 and name hg2  ) 1.8 0 3.2  {}
!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 1.0  {}
assign (resid 9 and name hn ) (resid 9 and name hg11 ) 1.8 0 1.5  {}
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 hd*  ) 1.8 0 3.0  {}
assign (resid 9 and name hn ) (resid 9 and name hg2* ) 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 hd*  ) 1.8 0 2.0  {}
assign (resid 9 and name ha ) (resid 9 and name hg2* ) 1.8 0 4.2  {}
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 1.5  {}
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 hd*  ) 1.8 0 3.0  {}
assign (resid 10 and name hn ) (resid 10 and name hg2* ) 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  {}
assign (resid 10 and name ha ) (resid 10 and name hg12 ) 1.8 0 2.0  {}
assign (resid 10 and name ha ) (resid 10 and name hd*  ) 1.8 0 2.0  {}
assign (resid 10 and name ha ) (resid 10 and name hg2* ) 1.8 0 4.2  {}
assign (resid 10 and name hn ) (resid 9 and name hb   ) 1.8 0 1.5  {}
assign (resid 10 and name hn ) (resid 9 and name hg11 ) 1.8 0 3.7  {}
assign (resid 10 and name hn ) (resid 9 and name hg12 ) 1.8 0 3.7  {}
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 3.0  {}
assign (resid 10 and name hd*) (resid 9 and name hg2* ) 1.8 0 3.5  {}
!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 1.5  {}
assign (resid 11 and name hn ) (resid 11 and name hb2) 1.8 0 1.5  {}
assign (resid 11 and name hn ) (resid 11 and name hd*) 1.8 0 3.8  {}
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 3.3  {}
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 3.2  {}
assign (resid 11 and name hn ) (resid 10 and name hg11) 1.8 0 3.7  {}
assign (resid 11 and name hn ) (resid 10 and name hg12) 1.8 0 3.7  {}
assign (resid 11 and name hn ) (resid 10 and name hg2*) 1.8 0 4.2  {}
assign (resid 11 and name hn ) (resid 9 and name hg2* ) 1.8 0 4.2  {}
assign (resid 11 and name hd*) (resid 10 and name hg2*) 1.8 0 6.5  {}
assign (resid 11 and name hd*) (resid 9 and name hg2* ) 1.8 0 6.5  {}
assign (resid 11 and name he*) (resid 10 and name hg2*) 1.8 0 6.5  {}
assign (resid 11 and name he*) (resid 9 and name hg2* ) 1.8 0 6.5  {}
!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 11 and name hb1  ) 1.8 0 3.2  {}
assign (resid 12 and name hn ) (resid 11 and name hb2  ) 1.8 0 3.2  {}
assign (resid 12 and name hn ) (resid 11 and name hd*  ) 1.8 0 5.5  {}
assign (resid 12 and name hn ) (resid 10 and name hg2* ) 1.8 0 4.2  {}
assign (resid 12 and name hn ) (resid 9 and name hg2*  ) 1.8 0 4.2  {}
!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  {}
!ser14
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  {m}
assign (resid 14 and name hn ) (resid 14 and name hb2) 1.8 0 1.5  {m}
assign (resid 14 and name hn ) (resid 13 and name hb ) 1.8 0 3.2  {}
assign (resid 14 and name hn ) (resid 13 and name hg1*) 1.8 0 2.5  {}
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 2.0  {}
assign (resid 15 and name hn ) (resid 15 and name hb2) 1.8 0 2.0  {}
assign (resid 15 and name hn ) (resid 15 and name hd*) 1.8 0 3.8  {}
assign (resid 15 and name ha ) (resid 15 and name hb1) 1.8 0 3.2  {}
assign (resid 15 and name ha ) (resid 15 and name hb2) 1.8 0 3.2  {}
assign (resid 15 and name ha ) (resid 15 and name hd*) 1.8 0 3.3  {}
assign (resid 15 and name hb1) (resid 15 and name hd*) 1.8 0 3.3  {}
assign (resid 15 and name hb2) (resid 15 and name hd*) 1.8 0 3.3  {}
assign (resid 15 and name hn ) (resid 14 and name hb1) 1.8 0 3.7  {}
assign (resid 15 and name hn ) (resid 14 and name hb2) 1.8 0 3.7  {}
assign (resid 15 and name hd*) (resid 11 and name hd*) 1.8 0 6.1  {}
assign (resid 15 and name hd*) (resid 13 and name hg1*) 1.8 0 6.5  {}
assign (resid 15 and name hd*) (resid 13 and name hg2*) 1.8 0 6.5  {}
!asp16
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 hb1) 1.8 0 1.5  {m}
assign (resid 16 and name hn ) (resid 16 and name hb2) 1.8 0 1.5  {m}
assign (resid 16 and name ha ) (resid 16 and name hb1) 1.8 0 3.7  {m}
assign (resid 16 and name ha ) (resid 16 and name hb2) 1.8 0 3.7  {m}
assign (resid 16 and name hn ) (resid 15 and name hb1) 1.8 0 3.2  {}
assign (resid 16 and name hn ) (resid 15 and name hb2) 1.8 0 3.2  {}
assign (resid 16 and name hn ) (resid 15 and name hd*) 1.8 0 3.8  {}
assign (resid 16 and name ha ) (resid 15 and name hd*) 1.8 0 5.5  {}
!glu17
assign (resid 17 and name hn ) (resid 17 and name ha  ) 1.8 0 1.5  {}
assign (resid 17 and name hn ) (resid 17 and name hb* ) 1.8 0 2.0  {}
assign (resid 17 and name hn ) (resid 17 and name hg1 ) 1.8 0 3.2  {}
assign (resid 17 and name hn ) (resid 17 and name hg2 ) 1.8 0 3.2  {}
assign (resid 17 and name ha ) (resid 17 and name hb* ) 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 hb1 ) 1.8 0 3.2  {}
assign (resid 17 and name hn ) (resid 16 and name hb2 ) 1.8 0 3.2  {}
assign (resid 17 and name hn ) (resid 15 and name hd* ) 1.8 0 5.5  {}
!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 hb1 ) 1.8 0 2.0  {}
assign (resid 18 and name hn ) (resid 18 and name hb2 ) 1.8 0 2.0  {}
assign (resid 18 and name hn ) (resid 18 and name hd* ) 1.8 0 3.8  {}
assign (resid 18 and name ha ) (resid 18 and name hb1 ) 1.8 0 3.2  {}
assign (resid 18 and name ha ) (resid 18 and name hb2 ) 1.8 0 3.2  {}
assign (resid 18 and name ha ) (resid 18 and name hd* ) 1.8 0 3.3  {}
assign (resid 18 and name hb1) (resid 18 and name hd* ) 1.8 0 3.3  {}
assign (resid 18 and name hb2) (resid 18 and name hd* ) 1.8 0 3.3  {}
assign (resid 18 and name hn ) (resid 17 and name hb* ) 1.8 0 2.5  {}
assign (resid 18 and name hn ) (resid 17 and name hg1 ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 17 and name hg2 ) 1.8 0 3.2  {}
!arg19
assign (resid 19 and name hn ) (resid 19 and name ha  ) 1.8 0 1.5  {}
assign (resid 19 and name hn ) (resid 19 and name hb1 ) 1.8 0 1.5  {}
assign (resid 19 and name hn ) (resid 19 and name hb2 ) 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 hb1 ) 1.8 0 3.2  {}
assign (resid 19 and name ha ) (resid 19 and name hb2 ) 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 hb1 ) 1.8 0 3.2  {}
assign (resid 19 and name hn ) (resid 18 and name hb2 ) 1.8 0 3.2  {}
assign (resid 19 and name hn ) (resid 18 and name hd* ) 1.8 0 5.5  {}
assign (resid 19 and name hg*) (resid 20 and name hd* ) 1.8 0 6.0  {}
!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 2.0  {}
assign (resid 20 and name hn ) (resid 20 and name hb2 ) 1.8 0 2.0  {}
assign (resid 20 and name hn ) (resid 20 and name hd* ) 1.8 0 3.8  {}
assign (resid 20 and name ha ) (resid 20 and name hb1 ) 1.8 0 3.2  {}
assign (resid 20 and name ha ) (resid 20 and name hb2 ) 1.8 0 3.2  {}
assign (resid 20 and name ha ) (resid 20 and name hd* ) 1.8 0 3.3  {}
assign (resid 20 and name hb1) (resid 20 and name hd* ) 1.8 0 3.3  {}
assign (resid 20 and name hb2) (resid 20 and name hd* ) 1.8 0 3.3  {}
assign (resid 20 and name hn ) (resid 19 and name hb1 ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 19 and name hb2 ) 1.8 0 3.2  {}
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 hd*) (resid 18 and name hd*) 1.8 0 6.1  {}
assign (resid 20 and name hd*) (resid 19 and name hb*) 1.8 0 6.0  {}
assign (resid 20 and name hd*) (resid 19 and name hg*) 1.8 0 6.0  {}
!arg21
assign (resid 21 and name hn ) (resid 21 and name ha  ) 1.8 0 1.5  {}
assign (resid 21 and name hn ) (resid 21 and name hb1 ) 1.8 0 1.5  {}
assign (resid 21 and name hn ) (resid 21 and name hb2 ) 1.8 0 1.5  {}
assign (resid 21 and name hn ) (resid 21 and name hg1 ) 1.8 0 3.2  {}
assign (resid 21 and name hn ) (resid 21 and name hg2 ) 1.8 0 3.2  {}
assign (resid 21 and name ha ) (resid 21 and name hb1 ) 1.8 0 3.2  {}
assign (resid 21 and name ha ) (resid 21 and name hb2 ) 1.8 0 3.2  {}
assign (resid 21 and name ha ) (resid 21 and name hg1 ) 1.8 0 1.5  {}
assign (resid 21 and name ha ) (resid 21 and name hg2 ) 1.8 0 1.5  {}
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  {}
assign (resid 21 and name hn ) (resid 20 and name hd* ) 1.8 0 5.5  {}
!ser22
assign (resid 22 and name hn ) (resid 22 and name ha  ) 1.8 0 1.5  {}
assign (resid 22 and name hn ) (resid 22 and name hb* ) 1.8 0 2.0  {}
assign (resid 22 and name ha ) (resid 22 and name hb* ) 1.8 0 3.7  {}
assign (resid 22 and name hn ) (resid 21 and name hb1 ) 1.8 0 3.7  {}
assign (resid 22 and name hn ) (resid 21 and name hb2 ) 1.8 0 3.7  {}
assign (resid 22 and name hn ) (resid 21 and name hg1 ) 1.8 0 3.7  {}
assign (resid 22 and name hn ) (resid 21 and name hg2 ) 1.8 0 3.7  {}
!val23
assign (resid 23 and name hn ) (resid 23 and name ha  ) 1.8 0 1.5  {}
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 2.5 {}
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 3.7  {}
assign (resid 23 and name ha ) (resid 23 and name hg2* ) 1.8 0 2.5  {}
assign (resid 23 and name hn ) (resid 22 and name hb* ) 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 1.0  {}
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 2.5  {}
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 3.2  {}
assign (resid 24 and name ha ) (resid 24 and name hg12) 1.8 0 3.2  {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 4.2  {m}
assign (resid 24 and name hn ) (resid 23 and name hb ) 1.8 0 3.2  {}
assign (resid 24 and name hn ) (resid 23 and name hg1*) 1.8 0 4.2  {}
!lys25
assign (resid 25 and name hn ) (resid 25 and name ha  ) 1.8 0 1.5  {}
assign (resid 25 and name hn ) (resid 25 and name hb1 ) 1.8 0 2.0  {}
assign (resid 25 and name hn ) (resid 25 and name hb2 ) 1.8 0 2.0  {}
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 hg2*) 1.8 0 4.2  {}
!ala26
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -11.010  -3.724  -6.818
    2   2H    MET   1          2H        MET   1  -9.861  -3.782  -8.063
    3   3H    MET   1          3H        MET   1 -10.881  -5.112  -7.788
    4    HA   MET   1           HA       MET   1  -9.635  -5.916  -6.108
    5   1HB   MET   1          1HB       MET   1  -8.196  -4.585  -8.164
    6   2HB   MET   1          2HB       MET   1  -7.315  -4.302  -6.662
    7   1HG   MET   1          1HG       MET   1  -8.262  -7.050  -6.847
    8   2HG   MET   1          2HG       MET   1  -7.229  -6.626  -8.211
    9   1HE   MET   1          1HE       MET   1  -5.477  -5.006  -7.920
   10   2HE   MET   1          2HE       MET   1  -4.344  -4.868  -6.577
   11   3HE   MET   1          3HE       MET   1  -4.239  -6.238  -7.691
   12    HA   PRO   2           HA       PRO   2  -8.236  -2.236  -3.451
   13   1HB   PRO   2          1HB       PRO   2  -8.502   0.300  -4.432
   14   2HB   PRO   2          2HB       PRO   2  -7.069  -0.702  -4.731
   15   1HG   PRO   2          1HG       PRO   2  -9.311  -0.030  -6.532
   16   2HG   PRO   2          2HG       PRO   2  -7.620  -0.377  -6.910
   17   1HD   PRO   2          1HD       PRO   2  -9.763  -2.138  -7.214
   18   2HD   PRO   2          2HD       PRO   2  -8.043  -2.578  -7.222
   19    H    GLY   3           H        GLY   3  -9.450   0.091  -2.650
   20   1HA   GLY   3          1HA       GLY   3 -12.384  -0.421  -2.874
   21   2HA   GLY   3          2HA       GLY   3 -11.637  -0.191  -1.291
   22    H    THR   4           H        THR   4 -13.485   1.606  -1.621
   23    HA   THR   4           HA       THR   4 -12.377   3.982  -3.002
   24    HB   THR   4           HB       THR   4 -14.797   3.399  -3.252
   25    HG1  THR   4           HG1      THR   4 -15.194   5.458  -3.358
   26   1HG2  THR   4          1HG2      THR   4 -14.932   2.573  -0.823
   27   2HG2  THR   4          2HG2      THR   4 -15.093   4.273  -0.379
   28   3HG2  THR   4          3HG2      THR   4 -16.298   3.516  -1.420
   29    H    ILE   5           H        ILE   5 -10.743   3.346  -0.947
   30    HA   ILE   5           HA       ILE   5  -9.907   3.998   1.132
   31    HB   ILE   5           HB       ILE   5 -10.829   6.369  -0.385
   32   1HG1  ILE   5          1HG1      ILE   5  -8.151   5.980   0.911
   33   2HG1  ILE   5          2HG1      ILE   5  -8.585   4.996  -0.487
   34   1HG2  ILE   5          1HG2      ILE   5 -10.239   6.339   2.556
   35   2HG2  ILE   5          2HG2      ILE   5  -9.651   7.698   1.598
   36   3HG2  ILE   5          3HG2      ILE   5 -11.379   7.345   1.662
   37   1HD1  ILE   5          1HD1      ILE   5  -9.317   7.341  -1.488
   38   2HD1  ILE   5          2HD1      ILE   5  -8.156   7.952  -0.309
   39   3HD1  ILE   5          3HD1      ILE   5  -7.634   6.817  -1.555
   40    H    LYS   6           H        LYS   6 -11.369   2.793   2.401
   41    HA   LYS   6           HA       LYS   6 -12.850   4.278   4.338
   42   1HB   LYS   6          1HB       LYS   6 -14.360   4.385   2.228
   43   2HB   LYS   6          2HB       LYS   6 -14.687   2.683   2.555
   44   1HG   LYS   6          1HG       LYS   6 -16.392   4.075   3.632
   45   2HG   LYS   6          2HG       LYS   6 -15.401   3.285   4.858
   46   1HD   LYS   6          1HD       LYS   6 -14.379   5.904   3.955
   47   2HD   LYS   6          2HD       LYS   6 -15.921   5.969   4.810
   48   1HE   LYS   6          1HE       LYS   6 -14.998   5.271   6.802
   49   2HE   LYS   6          2HE       LYS   6 -13.802   4.233   5.999
   50   1HZ   LYS   6          1HZ       LYS   6 -12.826   6.372   5.111
   51   2HZ   LYS   6          2HZ       LYS   6 -13.777   7.185   6.260
   52   3HZ   LYS   6          3HZ       LYS   6 -12.591   6.079   6.765
   53    H    GLU   7           H        GLU   7 -11.645   2.858   5.693
   54    HA   GLU   7           HA       GLU   7 -11.321   0.918   6.972
   55   1HB   GLU   7          1HB       GLU   7 -13.904   1.229   7.038
   56   2HB   GLU   7          2HB       GLU   7 -13.938  -0.112   5.893
   57   1HG   GLU   7          1HG       GLU   7 -12.448  -1.372   7.554
   58   2HG   GLU   7          2HG       GLU   7 -12.849  -0.103   8.712
   59    H    ASN   8           H        ASN   8  -9.676   0.553   5.125
   60    HA   ASN   8           HA       ASN   8 -10.178  -2.157   4.030
   61   1HB   ASN   8          1HB       ASN   8 -10.399   0.128   2.431
   62   2HB   ASN   8          2HB       ASN   8  -8.781  -0.488   2.096
   63   1HD2  ASN   8          2HD2      ASN   8 -11.906  -0.755   1.018
   64   2HD2  ASN   8          1HD2      ASN   8 -11.861  -2.335   0.397
   65    H    ILE   9           H        ILE   9  -8.584  -1.803   6.169
   66    HA   ILE   9           HA       ILE   9  -5.899  -1.024   5.693
   67    HB   ILE   9           HB       ILE   9  -7.206  -2.871   7.661
   68   1HG1  ILE   9          1HG1      ILE   9  -5.697  -1.062   9.020
   69   2HG1  ILE   9          2HG1      ILE   9  -6.055  -0.147   7.555
   70   1HG2  ILE   9          1HG2      ILE   9  -4.247  -2.535   7.122
   71   2HG2  ILE   9          2HG2      ILE   9  -4.858  -3.048   8.696
   72   3HG2  ILE   9          3HG2      ILE   9  -5.162  -4.036   7.267
   73   1HD1  ILE   9          1HD1      ILE   9  -8.421  -1.535   8.440
   74   2HD1  ILE   9          2HD1      ILE   9  -7.766  -0.570   9.763
   75   3HD1  ILE   9          3HD1      ILE   9  -8.171   0.198   8.227
   76    H    ILE  10           H        ILE  10  -7.616  -3.696   4.500
   77    HA   ILE  10           HA       ILE  10  -5.888  -5.824   4.373
   78    HB   ILE  10           HB       ILE  10  -7.104  -4.831   1.800
   79   1HG1  ILE  10          1HG1      ILE  10  -8.904  -4.402   3.266
   80   2HG1  ILE  10          2HG1      ILE  10  -9.214  -6.045   2.713
   81   1HG2  ILE  10          1HG2      ILE  10  -6.701  -7.528   3.119
   82   2HG2  ILE  10          2HG2      ILE  10  -7.654  -7.298   1.653
   83   3HG2  ILE  10          3HG2      ILE  10  -5.930  -6.928   1.650
   84   1HD1  ILE  10          1HD1      ILE  10  -7.582  -6.466   4.896
   85   2HD1  ILE  10          2HD1      ILE  10  -8.539  -5.075   5.405
   86   3HD1  ILE  10          3HD1      ILE  10  -9.342  -6.567   4.918
   87    H    PHE  11           H        PHE  11  -4.210  -6.429   2.725
   88    HA   PHE  11           HA       PHE  11  -2.196  -4.427   2.514
   89   1HB   PHE  11          1HB       PHE  11  -2.487  -7.089   1.088
   90   2HB   PHE  11          2HB       PHE  11  -1.009  -6.152   1.228
   91    HD1  PHE  11           HD1      PHE  11  -0.274  -5.488   3.652
   92    HD2  PHE  11           HD2      PHE  11  -2.986  -8.688   2.733
   93    HE1  PHE  11           HE1      PHE  11   0.172  -6.500   5.871
   94    HE2  PHE  11           HE2      PHE  11  -2.540  -9.703   4.952
   95    HZ   PHE  11           HZ       PHE  11  -0.961  -8.609   6.521
   96    H    GLY  12           H        GLY  12  -4.287  -3.165   1.418
   97   1HA   GLY  12          1HA       GLY  12  -3.496  -2.993  -1.451
   98   2HA   GLY  12          2HA       GLY  12  -5.198  -3.258  -1.087
   99    H    VAL  13           H        VAL  13  -3.988  -1.376   1.385
  100    HA   VAL  13           HA       VAL  13  -5.191   1.024   0.175
  101    HB   VAL  13           HB       VAL  13  -5.825   0.327   2.477
  102   1HG1  VAL  13          1HG1      VAL  13  -2.975   0.050   2.684
  103   2HG1  VAL  13          2HG1      VAL  13  -3.520   1.216   3.890
  104   3HG1  VAL  13          3HG1      VAL  13  -4.208  -0.408   3.860
  105   1HG2  VAL  13          1HG2      VAL  13  -4.930   2.904   1.603
  106   2HG2  VAL  13          2HG2      VAL  13  -6.200   2.524   2.768
  107   3HG2  VAL  13          3HG2      VAL  13  -4.534   2.724   3.312
  108    H    SER  14           H        SER  14  -2.610   0.069  -0.759
  109    HA   SER  14           HA       SER  14  -0.396   0.825  -1.103
  110   1HB   SER  14          1HB       SER  14  -1.364   2.500  -2.435
  111   2HB   SER  14          2HB       SER  14  -2.145   3.275  -1.059
  112    HG   SER  14           HG       SER  14   0.630   3.198  -1.663
  113    H    TYR  15           H        TYR  15   0.695   0.206   0.808
  114    HA   TYR  15           HA       TYR  15   0.555   2.006   3.138
  115   1HB   TYR  15          1HB       TYR  15   1.225  -0.760   2.700
  116   2HB   TYR  15          2HB       TYR  15   2.556   0.045   3.532
  117    HD1  TYR  15           HD1      TYR  15   1.560   1.903   5.334
  118    HD2  TYR  15           HD2      TYR  15  -0.306  -1.772   4.126
  119    HE1  TYR  15           HE1      TYR  15   0.263   1.868   7.448
  120    HE2  TYR  15           HE2      TYR  15  -1.604  -1.807   6.239
  121    HH   TYR  15           HH       TYR  15  -1.172  -0.739   8.678
  122    H    ASP  16           H        ASP  16   1.707   2.964   0.644
  123    HA   ASP  16           HA       ASP  16   3.758   3.808  -0.248
  124   1HB   ASP  16          1HB       ASP  16   2.784   5.600   1.103
  125   2HB   ASP  16          2HB       ASP  16   3.557   4.955   2.551
  126    H    GLU  17           H        GLU  17   4.255   1.215   0.734
  127    HA   GLU  17           HA       GLU  17   7.100   1.448   1.331
  128   1HB   GLU  17          1HB       GLU  17   6.361   1.614   3.597
  129   2HB   GLU  17          2HB       GLU  17   5.155   0.349   3.360
  130   1HG   GLU  17          1HG       GLU  17   6.867  -1.339   3.128
  131   2HG   GLU  17          2HG       GLU  17   8.139  -0.117   3.111
  132    H    TYR  18           H        TYR  18   4.281  -0.591   0.939
  133    HA   TYR  18           HA       TYR  18   5.398  -3.102   0.632
  134   1HB   TYR  18          1HB       TYR  18   3.021  -1.763  -0.368
  135   2HB   TYR  18          2HB       TYR  18   3.634  -2.944  -1.526
  136    HD1  TYR  18           HD1      TYR  18   3.666  -2.888   2.220
  137    HD2  TYR  18           HD2      TYR  18   2.335  -4.881  -1.343
  138    HE1  TYR  18           HE1      TYR  18   2.726  -4.723   3.598
  139    HE2  TYR  18           HE2      TYR  18   1.395  -6.717   0.034
  140    HH   TYR  18           HH       TYR  18   2.133  -7.101   3.331
  141    H    ARG  19           H        ARG  19   5.046  -0.743  -1.969
  142    HA   ARG  19           HA       ARG  19   7.457  -1.958  -3.236
  143   1HB   ARG  19          1HB       ARG  19   5.268  -2.573  -4.390
  144   2HB   ARG  19          2HB       ARG  19   5.104  -0.864  -4.791
  145   1HG   ARG  19          1HG       ARG  19   6.958  -0.879  -6.209
  146   2HG   ARG  19          2HG       ARG  19   7.663  -2.299  -5.434
  147   1HD   ARG  19          1HD       ARG  19   6.609  -2.677  -7.738
  148   2HD   ARG  19          2HD       ARG  19   6.084  -3.763  -6.452
  149    HE   ARG  19           HE       ARG  19   4.440  -1.348  -6.985
  150   1HH1  ARG  19          1HH1      ARG  19   4.896  -4.395  -8.298
  151   2HH1  ARG  19          2HH1      ARG  19   3.266  -4.933  -8.070
  152   1HH2  ARG  19          1HH2      ARG  19   2.341  -2.186  -6.170
  153   2HH2  ARG  19          2HH2      ARG  19   1.820  -3.682  -6.870
  154    H    TYR  20           H        TYR  20   7.128   0.369  -1.506
  155    HA   TYR  20           HA       TYR  20   8.127   2.439  -3.402
  156   1HB   TYR  20          1HB       TYR  20   6.552   3.041  -0.895
  157   2HB   TYR  20          2HB       TYR  20   6.987   4.156  -2.188
  158    HD1  TYR  20           HD1      TYR  20   6.227   3.316  -4.628
  159    HD2  TYR  20           HD2      TYR  20   4.387   2.183  -0.917
  160    HE1  TYR  20           HE1      TYR  20   4.145   2.731  -5.840
  161    HE2  TYR  20           HE2      TYR  20   2.303   1.600  -2.128
  162    HH   TYR  20           HH       TYR  20   1.254   2.433  -4.484
  163    H    ARG  21           H        ARG  21   8.677   0.597  -0.596
  164    HA   ARG  21           HA       ARG  21  11.028   2.335   0.031
  165   1HB   ARG  21          1HB       ARG  21   8.862   1.856   1.736
  166   2HB   ARG  21          2HB       ARG  21  10.124   0.764   2.309
  167   1HG   ARG  21          1HG       ARG  21  11.440   2.469   3.032
  168   2HG   ARG  21          2HG       ARG  21  11.081   3.465   1.621
  169   1HD   ARG  21          1HD       ARG  21   8.863   4.007   2.583
  170   2HD   ARG  21          2HD       ARG  21   9.259   3.048   4.009
  171    HE   ARG  21           HE       ARG  21  11.315   4.763   4.058
  172   1HH1  ARG  21          1HH1      ARG  21   7.931   5.081   4.138
  173   2HH1  ARG  21          2HH1      ARG  21   7.942   6.805   4.311
  174   1HH2  ARG  21          1HH2      ARG  21  11.374   7.091   3.910
  175   2HH2  ARG  21          2HH2      ARG  21   9.890   7.942   4.182
  176    H    SER  22           H        SER  22  11.379   0.364  -1.766
  177    HA   SER  22           HA       SER  22  13.413  -1.263  -0.668
  178   1HB   SER  22          1HB       SER  22  11.798  -2.539   0.537
  179   2HB   SER  22          2HB       SER  22  10.687  -2.561  -0.830
  180    HG   SER  22           HG       SER  22  12.029  -4.506  -0.424
  181    H    VAL  23           H        VAL  23  12.996   0.275  -3.000
  182    HA   VAL  23           HA       VAL  23  13.404  -1.831  -5.064
  183    HB   VAL  23           HB       VAL  23  11.660   0.628  -5.423
  184   1HG1  VAL  23          1HG1      VAL  23  13.179  -0.534  -7.338
  185   2HG1  VAL  23          2HG1      VAL  23  11.754  -1.569  -7.422
  186   3HG1  VAL  23          3HG1      VAL  23  11.597   0.170  -7.668
  187   1HG2  VAL  23          1HG2      VAL  23  11.000  -1.799  -4.254
  188   2HG2  VAL  23          2HG2      VAL  23   9.858  -0.687  -5.006
  189   3HG2  VAL  23          3HG2      VAL  23  10.523  -2.030  -5.935
  190    H    ILE  24           H        ILE  24  13.426   1.738  -4.655
  191    HA   ILE  24           HA       ILE  24  16.110   1.720  -5.979
  192    HB   ILE  24           HB       ILE  24  14.248   4.092  -5.943
  193   1HG1  ILE  24          1HG1      ILE  24  13.992   3.100  -8.466
  194   2HG1  ILE  24          2HG1      ILE  24  14.078   1.601  -7.540
  195   1HG2  ILE  24          1HG2      ILE  24  16.597   3.206  -7.638
  196   2HG2  ILE  24          2HG2      ILE  24  15.574   4.583  -8.045
  197   3HG2  ILE  24          3HG2      ILE  24  16.522   4.597  -6.557
  198   1HD1  ILE  24          1HD1      ILE  24  12.366   2.923  -5.967
  199   2HD1  ILE  24          2HD1      ILE  24  12.008   3.750  -7.483
  200   3HD1  ILE  24          3HD1      ILE  24  11.814   2.001  -7.365
  201    H    LYS  25           H        LYS  25  15.876   1.332  -3.203
  202    HA   LYS  25           HA       LYS  25  17.171   3.823  -2.235
  203   1HB   LYS  25          1HB       LYS  25  14.664   3.717  -1.610
  204   2HB   LYS  25          2HB       LYS  25  15.126   2.405  -0.525
  205   1HG   LYS  25          1HG       LYS  25  16.310   3.798   0.880
  206   2HG   LYS  25          2HG       LYS  25  16.747   4.909  -0.418
  207   1HD   LYS  25          1HD       LYS  25  15.080   6.261   0.265
  208   2HD   LYS  25          2HD       LYS  25  13.937   5.019  -0.242
  209   1HE   LYS  25          1HE       LYS  25  14.031   3.972   1.976
  210   2HE   LYS  25          2HE       LYS  25  15.246   5.156   2.499
  211   1HZ   LYS  25          1HZ       LYS  25  12.930   6.331   1.248
  212   2HZ   LYS  25          2HZ       LYS  25  12.569   5.510   2.691
  213   3HZ   LYS  25          3HZ       LYS  25  13.714   6.760   2.693
  214    H    ALA  26           H        ALA  26  18.512   1.518  -2.956
  215    HA   ALA  26           HA       ALA  26  20.086  -0.006  -2.119
  216   1HB   ALA  26          1HB       ALA  26  19.597   1.813   0.224
  217   2HB   ALA  26          2HB       ALA  26  20.602   0.378   0.424
  218   3HB   ALA  26          3HB       ALA  26  21.059   1.618  -0.744
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -12.576  -0.508  -8.702
    2   2H    MET   1          2H        MET   1 -11.469  -0.693  -9.972
    3   3H    MET   1          3H        MET   1 -11.349  -1.677  -8.592
    4    HA   MET   1           HA       MET   1  -9.673  -0.085  -8.281
    5   1HB   MET   1          1HB       MET   1 -11.608   1.399  -9.883
    6   2HB   MET   1          2HB       MET   1 -10.956   2.389  -8.577
    7   1HG   MET   1          1HG       MET   1  -9.403   2.711 -10.317
    8   2HG   MET   1          2HG       MET   1  -8.644   1.462  -9.330
    9   1HE   MET   1          1HE       MET   1  -8.272  -0.496  -9.617
   10   2HE   MET   1          2HE       MET   1  -9.034  -1.675 -10.681
   11   3HE   MET   1          3HE       MET   1  -7.556  -0.848 -11.188
   12    HA   PRO   2           HA       PRO   2 -11.257   0.427  -4.207
   13   1HB   PRO   2          1HB       PRO   2  -9.148   1.763  -3.101
   14   2HB   PRO   2          2HB       PRO   2  -9.110   0.026  -3.461
   15   1HG   PRO   2          1HG       PRO   2  -7.931   2.296  -4.969
   16   2HG   PRO   2          2HG       PRO   2  -7.310   0.658  -4.722
   17   1HD   PRO   2          1HD       PRO   2  -8.522   1.514  -7.030
   18   2HD   PRO   2          2HD       PRO   2  -8.455  -0.182  -6.505
   19    H    GLY   3           H        GLY   3  -9.481   3.307  -5.245
   20   1HA   GLY   3          1HA       GLY   3 -10.519   5.458  -5.704
   21   2HA   GLY   3          2HA       GLY   3 -11.918   4.937  -4.767
   22    H    THR   4           H        THR   4 -11.680   6.993  -3.620
   23    HA   THR   4           HA       THR   4  -9.318   7.308  -1.888
   24    HB   THR   4           HB       THR   4 -10.301   9.320  -2.890
   25    HG1  THR   4           HG1      THR   4 -10.621  10.465  -0.936
   26   1HG2  THR   4          1HG2      THR   4 -12.753   8.014  -2.091
   27   2HG2  THR   4          2HG2      THR   4 -12.693   9.651  -1.436
   28   3HG2  THR   4          3HG2      THR   4 -12.531   9.389  -3.173
   29    H    ILE   5           H        ILE   5 -10.434   4.962  -1.237
   30    HA   ILE   5           HA       ILE   5 -12.515   5.134   0.751
   31    HB   ILE   5           HB       ILE   5 -10.476   2.983   0.158
   32   1HG1  ILE   5          1HG1      ILE   5 -13.379   3.430  -0.580
   33   2HG1  ILE   5          2HG1      ILE   5 -12.005   3.257  -1.671
   34   1HG2  ILE   5          1HG2      ILE   5 -12.029   3.312   2.485
   35   2HG2  ILE   5          2HG2      ILE   5 -12.880   2.107   1.519
   36   3HG2  ILE   5          3HG2      ILE   5 -11.194   1.847   1.967
   37   1HD1  ILE   5          1HD1      ILE   5 -11.684   0.925  -0.704
   38   2HD1  ILE   5          2HD1      ILE   5 -13.252   1.130   0.078
   39   3HD1  ILE   5          3HD1      ILE   5 -13.136   1.146  -1.681
   40    H    LYS   6           H        LYS   6  -9.037   5.311   0.858
   41    HA   LYS   6           HA       LYS   6  -7.565   5.749   2.631
   42   1HB   LYS   6          1HB       LYS   6 -10.034   6.912   3.954
   43   2HB   LYS   6          2HB       LYS   6  -8.355   7.281   4.351
   44   1HG   LYS   6          1HG       LYS   6  -8.191   8.777   2.673
   45   2HG   LYS   6          2HG       LYS   6  -8.918   7.662   1.514
   46   1HD   LYS   6          1HD       LYS   6 -10.988   8.554   1.770
   47   2HD   LYS   6          2HD       LYS   6 -10.799   8.721   3.515
   48   1HE   LYS   6          1HE       LYS   6  -9.352  10.720   3.147
   49   2HE   LYS   6          2HE       LYS   6  -9.646  10.580   1.402
   50   1HZ   LYS   6          1HZ       LYS   6 -11.994  10.446   3.107
   51   2HZ   LYS   6          2HZ       LYS   6 -11.234  11.960   3.037
   52   3HZ   LYS   6          3HZ       LYS   6 -11.782  11.220   1.610
   53    H    GLU   7           H        GLU   7  -9.225   3.319   2.508
   54    HA   GLU   7           HA       GLU   7  -8.745   2.421   5.300
   55   1HB   GLU   7          1HB       GLU   7 -11.312   2.904   4.330
   56   2HB   GLU   7          2HB       GLU   7 -11.107   1.163   4.125
   57   1HG   GLU   7          1HG       GLU   7 -11.012   0.772   6.374
   58   2HG   GLU   7          2HG       GLU   7 -10.145   2.274   6.700
   59    H    ASN   8           H        ASN   8  -6.869   1.745   3.735
   60    HA   ASN   8           HA       ASN   8  -7.343  -0.486   1.956
   61   1HB   ASN   8          1HB       ASN   8  -5.101   1.168   2.753
   62   2HB   ASN   8          2HB       ASN   8  -4.649  -0.537   2.777
   63   1HD2  ASN   8          2HD2      ASN   8  -4.206  -1.497   0.766
   64   2HD2  ASN   8          1HD2      ASN   8  -4.575  -0.794  -0.735
   65    H    ILE   9           H        ILE   9  -8.664  -1.260   4.049
   66    HA   ILE   9           HA       ILE   9  -7.942  -2.428   6.315
   67    HB   ILE   9           HB       ILE   9  -9.371  -3.785   4.037
   68   1HG1  ILE   9          1HG1      ILE   9 -11.216  -3.428   5.926
   69   2HG1  ILE   9          2HG1      ILE   9 -10.093  -2.174   6.452
   70   1HG2  ILE   9          1HG2      ILE   9  -8.323  -4.977   6.465
   71   2HG2  ILE   9          2HG2      ILE   9 -10.085  -5.041   6.452
   72   3HG2  ILE   9          3HG2      ILE   9  -9.166  -5.750   5.123
   73   1HD1  ILE   9          1HD1      ILE   9 -10.368  -2.049   3.593
   74   2HD1  ILE   9          2HD1      ILE   9 -11.971  -2.030   4.328
   75   3HD1  ILE   9          3HD1      ILE   9 -10.773  -0.819   4.790
   76    H    ILE  10           H        ILE  10  -7.778  -5.000   4.002
   77    HA   ILE  10           HA       ILE  10  -6.170  -6.671   3.706
   78    HB   ILE  10           HB       ILE  10  -4.528  -4.151   3.917
   79   1HG1  ILE  10          1HG1      ILE  10  -4.196  -4.838   1.442
   80   2HG1  ILE  10          2HG1      ILE  10  -5.530  -5.961   1.722
   81   1HG2  ILE  10          1HG2      ILE  10  -3.574  -6.965   3.298
   82   2HG2  ILE  10          2HG2      ILE  10  -2.618  -5.504   3.052
   83   3HG2  ILE  10          3HG2      ILE  10  -3.092  -5.983   4.681
   84   1HD1  ILE  10          1HD1      ILE  10  -6.216  -3.384   2.803
   85   2HD1  ILE  10          2HD1      ILE  10  -5.712  -3.199   1.124
   86   3HD1  ILE  10          3HD1      ILE  10  -7.028  -4.299   1.533
   87    H    PHE  11           H        PHE  11  -4.246  -7.732   4.870
   88    HA   PHE  11           HA       PHE  11  -4.835  -7.751   7.724
   89   1HB   PHE  11          1HB       PHE  11  -2.565  -9.350   7.303
   90   2HB   PHE  11          2HB       PHE  11  -4.225  -9.906   7.453
   91    HD1  PHE  11           HD1      PHE  11  -1.744  -8.630   4.967
   92    HD2  PHE  11           HD2      PHE  11  -5.315 -10.921   5.637
   93    HE1  PHE  11           HE1      PHE  11  -1.715  -9.368   2.600
   94    HE2  PHE  11           HE2      PHE  11  -5.288 -11.658   3.271
   95    HZ   PHE  11           HZ       PHE  11  -3.487 -10.883   1.751
   96    H    GLY  12           H        GLY  12  -3.990  -5.314   7.291
   97   1HA   GLY  12          1HA       GLY  12  -2.457  -3.798   8.262
   98   2HA   GLY  12          2HA       GLY  12  -1.520  -5.177   8.826
   99    H    VAL  13           H        VAL  13  -2.424  -3.612   5.828
  100    HA   VAL  13           HA       VAL  13  -0.266  -4.647   4.259
  101    HB   VAL  13           HB       VAL  13  -2.404  -3.681   3.370
  102   1HG1  VAL  13          1HG1      VAL  13  -2.120  -1.690   5.039
  103   2HG1  VAL  13          2HG1      VAL  13  -1.118  -0.990   3.767
  104   3HG1  VAL  13          3HG1      VAL  13  -2.810  -1.371   3.448
  105   1HG2  VAL  13          1HG2      VAL  13   0.121  -3.664   2.275
  106   2HG2  VAL  13          2HG2      VAL  13  -1.355  -3.267   1.395
  107   3HG2  VAL  13          3HG2      VAL  13  -0.368  -1.980   2.090
  108    H    SER  14           H        SER  14   0.837  -3.561   6.678
  109    HA   SER  14           HA       SER  14   2.148  -1.041   5.924
  110   1HB   SER  14          1HB       SER  14   3.333  -2.005   8.258
  111   2HB   SER  14          2HB       SER  14   2.032  -0.823   8.171
  112    HG   SER  14           HG       SER  14   0.568  -2.399   8.515
  113    H    TYR  15           H        TYR  15   2.661  -3.339   4.270
  114    HA   TYR  15           HA       TYR  15   5.561  -3.337   4.339
  115   1HB   TYR  15          1HB       TYR  15   5.508  -5.959   4.306
  116   2HB   TYR  15          2HB       TYR  15   5.479  -5.123   5.856
  117    HD1  TYR  15           HD1      TYR  15   2.912  -5.934   3.227
  118    HD2  TYR  15           HD2      TYR  15   4.023  -6.121   7.373
  119    HE1  TYR  15           HE1      TYR  15   0.745  -7.014   3.761
  120    HE2  TYR  15           HE2      TYR  15   1.858  -7.203   7.903
  121    HH   TYR  15           HH       TYR  15   0.136  -8.686   6.428
  122    H    ASP  16           H        ASP  16   3.348  -2.621   2.599
  123    HA   ASP  16           HA       ASP  16   4.347  -3.823   0.147
  124   1HB   ASP  16          1HB       ASP  16   2.453  -5.354   1.229
  125   2HB   ASP  16          2HB       ASP  16   1.393  -4.155   0.486
  126    H    GLU  17           H        GLU  17   4.069  -1.223   1.394
  127    HA   GLU  17           HA       GLU  17   2.526   0.133  -0.760
  128   1HB   GLU  17          1HB       GLU  17   1.999   0.214   2.080
  129   2HB   GLU  17          2HB       GLU  17   2.440   1.819   1.499
  130   1HG   GLU  17          1HG       GLU  17   0.775   1.164  -0.478
  131   2HG   GLU  17          2HG       GLU  17   0.100   0.116   0.770
  132    H    TYR  18           H        TYR  18   5.062   0.271   1.633
  133    HA   TYR  18           HA       TYR  18   6.236   2.659   0.318
  134   1HB   TYR  18          1HB       TYR  18   7.764   2.708   2.253
  135   2HB   TYR  18          2HB       TYR  18   6.083   2.665   2.782
  136    HD1  TYR  18           HD1      TYR  18   5.104   0.618   3.728
  137    HD2  TYR  18           HD2      TYR  18   9.233   0.796   2.560
  138    HE1  TYR  18           HE1      TYR  18   5.552  -1.469   4.994
  139    HE2  TYR  18           HE2      TYR  18   9.682  -1.290   3.826
  140    HH   TYR  18           HH       TYR  18   7.055  -3.028   5.493
  141    H    ARG  19           H        ARG  19   6.473  -0.703   0.218
  142    HA   ARG  19           HA       ARG  19   9.214  -0.499  -0.967
  143   1HB   ARG  19          1HB       ARG  19   9.037  -1.852   1.177
  144   2HB   ARG  19          2HB       ARG  19   8.016  -2.982   0.287
  145   1HG   ARG  19          1HG       ARG  19   9.789  -3.468  -1.275
  146   2HG   ARG  19          2HG       ARG  19  10.795  -2.180  -0.613
  147   1HD   ARG  19          1HD       ARG  19  11.658  -4.132   0.397
  148   2HD   ARG  19          2HD       ARG  19  10.593  -3.458   1.632
  149    HE   ARG  19           HE       ARG  19   9.609  -5.599  -0.203
  150   1HH1  ARG  19          1HH1      ARG  19   9.024  -3.911   2.618
  151   2HH1  ARG  19          2HH1      ARG  19   8.707  -5.300   3.602
  152   1HH2  ARG  19          1HH2      ARG  19   9.726  -7.571   1.186
  153   2HH2  ARG  19          2HH2      ARG  19   9.105  -7.374   2.791
  154    H    TYR  20           H        TYR  20   6.772  -0.053  -2.364
  155    HA   TYR  20           HA       TYR  20   7.057  -2.101  -4.449
  156   1HB   TYR  20          1HB       TYR  20   4.500  -1.587  -2.939
  157   2HB   TYR  20          2HB       TYR  20   4.497  -2.256  -4.570
  158    HD1  TYR  20           HD1      TYR  20   5.727  -2.800  -1.106
  159    HD2  TYR  20           HD2      TYR  20   5.080  -4.537  -4.979
  160    HE1  TYR  20           HE1      TYR  20   6.229  -5.046  -0.182
  161    HE2  TYR  20           HE2      TYR  20   5.580  -6.784  -4.056
  162    HH   TYR  20           HH       TYR  20   5.895  -7.966  -2.166
  163    H    ARG  21           H        ARG  21   5.503   0.835  -3.337
  164    HA   ARG  21           HA       ARG  21   5.210   1.786  -6.125
  165   1HB   ARG  21          1HB       ARG  21   3.904   2.338  -3.574
  166   2HB   ARG  21          2HB       ARG  21   4.402   3.821  -4.382
  167   1HG   ARG  21          1HG       ARG  21   3.096   3.368  -6.291
  168   2HG   ARG  21          2HG       ARG  21   2.966   1.651  -5.902
  169   1HD   ARG  21          1HD       ARG  21   1.855   2.822  -3.675
  170   2HD   ARG  21          2HD       ARG  21   1.338   3.915  -4.958
  171    HE   ARG  21           HE       ARG  21   0.920   1.085  -5.578
  172   1HH1  ARG  21          1HH1      ARG  21  -0.543   3.955  -5.924
  173   2HH1  ARG  21          2HH1      ARG  21  -2.092   3.507  -5.289
  174   1HH2  ARG  21          1HH2      ARG  21  -0.981   0.490  -3.989
  175   2HH2  ARG  21          2HH2      ARG  21  -2.341   1.543  -4.199
  176    H    SER  22           H        SER  22   7.790   1.385  -4.840
  177    HA   SER  22           HA       SER  22   9.317   3.488  -5.752
  178   1HB   SER  22          1HB       SER  22   9.771   4.622  -3.428
  179   2HB   SER  22          2HB       SER  22   8.382   5.139  -4.378
  180    HG   SER  22           HG       SER  22   8.122   2.994  -2.584
  181    H    VAL  23           H        VAL  23   9.913   0.954  -5.741
  182    HA   VAL  23           HA       VAL  23  10.990  -0.439  -3.642
  183    HB   VAL  23           HB       VAL  23  11.079  -1.450  -5.782
  184   1HG1  VAL  23          1HG1      VAL  23  11.927   1.183  -6.589
  185   2HG1  VAL  23          2HG1      VAL  23  13.044  -0.020  -7.232
  186   3HG1  VAL  23          3HG1      VAL  23  11.321  -0.135  -7.589
  187   1HG2  VAL  23          1HG2      VAL  23  13.147  -1.696  -4.199
  188   2HG2  VAL  23          2HG2      VAL  23  13.256  -2.307  -5.849
  189   3HG2  VAL  23          3HG2      VAL  23  13.983  -0.756  -5.434
  190    H    ILE  24           H        ILE  24  12.318   2.494  -5.061
  191    HA   ILE  24           HA       ILE  24  14.671   2.226  -3.254
  192    HB   ILE  24           HB       ILE  24  14.351   4.300  -5.425
  193   1HG1  ILE  24          1HG1      ILE  24  16.021   2.417  -6.493
  194   2HG1  ILE  24          2HG1      ILE  24  14.868   1.394  -5.635
  195   1HG2  ILE  24          1HG2      ILE  24  16.243   3.897  -3.426
  196   2HG2  ILE  24          2HG2      ILE  24  16.985   3.167  -4.850
  197   3HG2  ILE  24          3HG2      ILE  24  16.478   4.855  -4.889
  198   1HD1  ILE  24          1HD1      ILE  24  13.013   2.681  -6.758
  199   2HD1  ILE  24          2HD1      ILE  24  14.239   3.493  -7.728
  200   3HD1  ILE  24          3HD1      ILE  24  14.015   1.749  -7.869
  201    H    LYS  25           H        LYS  25  11.962   2.982  -2.431
  202    HA   LYS  25           HA       LYS  25  11.026   4.501  -0.903
  203   1HB   LYS  25          1HB       LYS  25  13.561   4.406  -0.152
  204   2HB   LYS  25          2HB       LYS  25  13.595   6.042  -0.809
  205   1HG   LYS  25          1HG       LYS  25  11.215   5.777   0.749
  206   2HG   LYS  25          2HG       LYS  25  12.563   5.172   1.713
  207   1HD   LYS  25          1HD       LYS  25  13.205   7.636   0.253
  208   2HD   LYS  25          2HD       LYS  25  11.892   7.837   1.414
  209   1HE   LYS  25          1HE       LYS  25  13.753   6.283   2.798
  210   2HE   LYS  25          2HE       LYS  25  14.743   7.469   1.923
  211   1HZ   LYS  25          1HZ       LYS  25  12.255   8.274   3.298
  212   2HZ   LYS  25          2HZ       LYS  25  13.724   8.184   4.147
  213   3HZ   LYS  25          3HZ       LYS  25  13.565   9.242   2.826
  214    H    ALA  26           H        ALA  26  13.364   6.392  -2.867
  215    HA   ALA  26           HA       ALA  26  11.086   7.882  -4.037
  216   1HB   ALA  26          1HB       ALA  26  13.009   8.961  -2.060
  217   2HB   ALA  26          2HB       ALA  26  12.748   9.967  -3.484
  218   3HB   ALA  26          3HB       ALA  26  11.383   9.511  -2.466
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -14.588   0.414  -5.179
    2   2H    MET   1          2H        MET   1 -14.502  -0.862  -6.291
    3   3H    MET   1          3H        MET   1 -14.542  -1.191  -4.625
    4    HA   MET   1           HA       MET   1 -12.348  -0.896  -4.375
    5   1HB   MET   1          1HB       MET   1 -13.015  -1.431  -7.201
    6   2HB   MET   1          2HB       MET   1 -11.378  -0.825  -6.951
    7   1HG   MET   1          1HG       MET   1 -10.723  -2.817  -6.139
    8   2HG   MET   1          2HG       MET   1 -11.995  -2.771  -4.919
    9   1HE   MET   1          1HE       MET   1 -12.250  -5.026  -4.757
   10   2HE   MET   1          2HE       MET   1 -13.953  -4.605  -4.933
   11   3HE   MET   1          3HE       MET   1 -13.296  -6.020  -5.769
   12    HA   PRO   2           HA       PRO   2 -11.267   3.164  -6.623
   13   1HB   PRO   2          1HB       PRO   2 -13.132   4.279  -8.280
   14   2HB   PRO   2          2HB       PRO   2 -11.946   3.082  -8.832
   15   1HG   PRO   2          1HG       PRO   2 -14.824   2.749  -8.219
   16   2HG   PRO   2          2HG       PRO   2 -13.821   1.929  -9.423
   17   1HD   PRO   2          1HD       PRO   2 -14.605   0.859  -6.993
   18   2HD   PRO   2          2HD       PRO   2 -13.246   0.279  -7.979
   19    H    GLY   3           H        GLY   3 -12.273   5.584  -6.607
   20   1HA   GLY   3          1HA       GLY   3 -13.648   7.182  -5.508
   21   2HA   GLY   3          2HA       GLY   3 -14.572   5.856  -4.799
   22    H    THR   4           H        THR   4 -14.243   7.451  -2.883
   23    HA   THR   4           HA       THR   4 -11.603   6.980  -1.577
   24    HB   THR   4           HB       THR   4 -12.514   9.346  -1.846
   25    HG1  THR   4           HG1      THR   4 -12.073   8.329   0.764
   26   1HG2  THR   4          1HG2      THR   4 -14.865   8.282  -1.030
   27   2HG2  THR   4          2HG2      THR   4 -14.257   8.886   0.510
   28   3HG2  THR   4          3HG2      THR   4 -14.468   9.990  -0.848
   29    H    ILE   5           H        ILE   5 -13.406   4.810  -1.647
   30    HA   ILE   5           HA       ILE   5 -14.614   4.767   1.065
   31    HB   ILE   5           HB       ILE   5 -14.894   2.951  -1.335
   32   1HG1  ILE   5          1HG1      ILE   5 -17.357   3.831  -0.186
   33   2HG1  ILE   5          2HG1      ILE   5 -16.305   5.238  -0.344
   34   1HG2  ILE   5          1HG2      ILE   5 -15.497   2.490   1.543
   35   2HG2  ILE   5          2HG2      ILE   5 -16.735   1.998   0.386
   36   3HG2  ILE   5          3HG2      ILE   5 -15.107   1.330   0.274
   37   1HD1  ILE   5          1HD1      ILE   5 -16.436   3.333  -2.642
   38   2HD1  ILE   5          2HD1      ILE   5 -17.813   4.403  -2.380
   39   3HD1  ILE   5          3HD1      ILE   5 -16.207   5.081  -2.647
   40    H    LYS   6           H        LYS   6 -12.051   3.435  -0.831
   41    HA   LYS   6           HA       LYS   6 -10.385   1.850  -0.327
   42   1HB   LYS   6          1HB       LYS   6 -10.659   3.144   2.402
   43   2HB   LYS   6          2HB       LYS   6  -9.232   2.329   1.760
   44   1HG   LYS   6          1HG       LYS   6 -10.492   4.784   0.504
   45   2HG   LYS   6          2HG       LYS   6  -9.107   4.830   1.595
   46   1HD   LYS   6          1HD       LYS   6  -8.853   2.911  -0.635
   47   2HD   LYS   6          2HD       LYS   6  -8.904   4.606  -1.121
   48   1HE   LYS   6          1HE       LYS   6  -6.920   5.122  -0.025
   49   2HE   LYS   6          2HE       LYS   6  -7.135   3.838   1.181
   50   1HZ   LYS   6          1HZ       LYS   6  -7.084   2.404  -1.051
   51   2HZ   LYS   6          2HZ       LYS   6  -6.065   3.680  -1.521
   52   3HZ   LYS   6          3HZ       LYS   6  -5.690   2.749  -0.151
   53    H    GLU   7           H        GLU   7 -12.464   0.322  -0.451
   54    HA   GLU   7           HA       GLU   7 -12.980  -0.940   2.175
   55   1HB   GLU   7          1HB       GLU   7 -14.810  -0.498   0.417
   56   2HB   GLU   7          2HB       GLU   7 -14.097  -1.833  -0.488
   57   1HG   GLU   7          1HG       GLU   7 -14.674  -3.414   1.124
   58   2HG   GLU   7          2HG       GLU   7 -14.750  -2.215   2.417
   59    H    ASN   8           H        ASN   8 -10.369  -1.047   0.886
   60    HA   ASN   8           HA       ASN   8 -10.099  -4.016   0.790
   61   1HB   ASN   8          1HB       ASN   8  -9.947  -2.552  -1.495
   62   2HB   ASN   8          2HB       ASN   8  -8.269  -2.465  -0.958
   63   1HD2  ASN   8          2HD2      ASN   8 -10.852  -4.997  -1.159
   64   2HD2  ASN   8          1HD2      ASN   8  -9.815  -6.204  -1.752
   65    H    ILE   9           H        ILE   9  -9.652  -2.279   2.987
   66    HA   ILE   9           HA       ILE   9  -6.929  -1.453   3.234
   67    HB   ILE   9           HB       ILE   9  -8.904  -2.261   5.377
   68   1HG1  ILE   9          1HG1      ILE   9  -9.534  -0.407   3.722
   69   2HG1  ILE   9          2HG1      ILE   9  -9.554   0.031   5.428
   70   1HG2  ILE   9          1HG2      ILE   9  -6.339  -0.644   5.489
   71   2HG2  ILE   9          2HG2      ILE   9  -7.483  -0.807   6.822
   72   3HG2  ILE   9          3HG2      ILE   9  -6.611  -2.220   6.230
   73   1HD1  ILE   9          1HD1      ILE   9  -7.278   0.982   5.203
   74   2HD1  ILE   9          2HD1      ILE   9  -7.284   0.561   3.489
   75   3HD1  ILE   9          3HD1      ILE   9  -8.414   1.766   4.105
   76    H    ILE  10           H        ILE  10  -7.754  -3.656   5.731
   77    HA   ILE  10           HA       ILE  10  -6.700  -5.608   6.465
   78    HB   ILE  10           HB       ILE  10  -6.681  -5.994   3.470
   79   1HG1  ILE  10          1HG1      ILE  10  -8.502  -7.661   4.147
   80   2HG1  ILE  10          2HG1      ILE  10  -8.462  -6.896   5.738
   81   1HG2  ILE  10          1HG2      ILE  10  -5.954  -7.913   5.702
   82   2HG2  ILE  10          2HG2      ILE  10  -6.310  -8.425   4.052
   83   3HG2  ILE  10          3HG2      ILE  10  -4.919  -7.389   4.373
   84   1HD1  ILE  10          1HD1      ILE  10  -8.671  -5.113   3.352
   85   2HD1  ILE  10          2HD1      ILE  10 -10.105  -6.030   3.815
   86   3HD1  ILE  10          3HD1      ILE  10  -9.360  -4.916   4.963
   87    H    PHE  11           H        PHE  11  -4.525  -6.798   6.318
   88    HA   PHE  11           HA       PHE  11  -2.388  -4.853   6.183
   89   1HB   PHE  11          1HB       PHE  11  -2.049  -7.831   6.492
   90   2HB   PHE  11          2HB       PHE  11  -1.085  -6.535   7.174
   91    HD1  PHE  11           HD1      PHE  11  -2.880  -4.722   8.433
   92    HD2  PHE  11           HD2      PHE  11  -3.149  -9.003   8.180
   93    HE1  PHE  11           HE1      PHE  11  -4.263  -4.759  10.494
   94    HE2  PHE  11           HE2      PHE  11  -4.531  -9.039  10.238
   95    HZ   PHE  11           HZ       PHE  11  -5.087  -6.917  11.396
   96    H    GLY  12           H        GLY  12  -3.403  -4.938   3.667
   97   1HA   GLY  12          1HA       GLY  12  -2.327  -6.890   1.903
   98   2HA   GLY  12          2HA       GLY  12  -2.793  -5.263   1.430
   99    H    VAL  13           H        VAL  13  -1.225  -3.636   1.450
  100    HA   VAL  13           HA       VAL  13   1.574  -4.562   1.804
  101    HB   VAL  13           HB       VAL  13   0.258  -3.750  -0.584
  102   1HG1  VAL  13          1HG1      VAL  13   0.839  -1.410   0.179
  103   2HG1  VAL  13          2HG1      VAL  13   2.537  -1.877   0.091
  104   3HG1  VAL  13          3HG1      VAL  13   1.546  -1.881  -1.367
  105   1HG2  VAL  13          1HG2      VAL  13   2.961  -4.631   0.292
  106   2HG2  VAL  13          2HG2      VAL  13   1.849  -5.375  -0.857
  107   3HG2  VAL  13          3HG2      VAL  13   2.802  -3.968  -1.335
  108    H    SER  14           H        SER  14  -0.483  -2.860   3.315
  109    HA   SER  14           HA       SER  14   0.824  -0.248   3.499
  110   1HB   SER  14          1HB       SER  14  -0.877  -0.602   5.713
  111   2HB   SER  14          2HB       SER  14  -1.245   0.259   4.222
  112    HG   SER  14           HG       SER  14  -2.727  -1.274   4.153
  113    H    TYR  15           H        TYR  15   2.972  -0.849   4.163
  114    HA   TYR  15           HA       TYR  15   3.134  -1.410   7.072
  115   1HB   TYR  15          1HB       TYR  15   3.987  -3.224   4.963
  116   2HB   TYR  15          2HB       TYR  15   5.347  -2.742   5.977
  117    HD1  TYR  15           HD1      TYR  15   5.295  -3.128   8.428
  118    HD2  TYR  15           HD2      TYR  15   2.189  -4.577   5.838
  119    HE1  TYR  15           HE1      TYR  15   4.508  -4.646  10.222
  120    HE2  TYR  15           HE2      TYR  15   1.402  -6.096   7.634
  121    HH   TYR  15           HH       TYR  15   1.760  -5.873  10.516
  122    H    ASP  16           H        ASP  16   3.422   0.997   5.524
  123    HA   ASP  16           HA       ASP  16   4.973   2.719   5.038
  124   1HB   ASP  16          1HB       ASP  16   4.651   2.984   7.422
  125   2HB   ASP  16          2HB       ASP  16   5.800   1.693   7.765
  126    H    GLU  17           H        GLU  17   5.795   0.630   3.528
  127    HA   GLU  17           HA       GLU  17   8.488   1.051   3.008
  128   1HB   GLU  17          1HB       GLU  17   9.198   0.264   5.133
  129   2HB   GLU  17          2HB       GLU  17   8.066  -1.086   5.095
  130   1HG   GLU  17          1HG       GLU  17   9.332  -2.170   3.331
  131   2HG   GLU  17          2HG       GLU  17  10.396  -0.770   3.182
  132    H    TYR  18           H        TYR  18   5.792  -1.090   2.974
  133    HA   TYR  18           HA       TYR  18   6.978  -2.632   0.730
  134   1HB   TYR  18          1HB       TYR  18   5.517  -3.547   2.823
  135   2HB   TYR  18          2HB       TYR  18   4.230  -3.263   1.650
  136    HD1  TYR  18           HD1      TYR  18   4.588  -4.192  -0.750
  137    HD2  TYR  18           HD2      TYR  18   6.842  -5.483   2.670
  138    HE1  TYR  18           HE1      TYR  18   5.215  -6.269  -1.949
  139    HE2  TYR  18           HE2      TYR  18   7.473  -7.560   1.470
  140    HH   TYR  18           HH       TYR  18   6.479  -8.953  -0.435
  141    H    ARG  19           H        ARG  19   5.209   0.140   1.191
  142    HA   ARG  19           HA       ARG  19   3.482  -0.253  -1.173
  143   1HB   ARG  19          1HB       ARG  19   2.768   1.030   0.952
  144   2HB   ARG  19          2HB       ARG  19   3.817   2.324   0.368
  145   1HG   ARG  19          1HG       ARG  19   2.562   2.489  -1.699
  146   2HG   ARG  19          2HG       ARG  19   1.595   1.077  -1.273
  147   1HD   ARG  19          1HD       ARG  19   1.620   3.271   0.721
  148   2HD   ARG  19          2HD       ARG  19   0.791   3.620  -0.796
  149    HE   ARG  19           HE       ARG  19   0.007   1.047   0.285
  150   1HH1  ARG  19          1HH1      ARG  19  -0.270   4.436   0.818
  151   2HH1  ARG  19          2HH1      ARG  19  -1.929   4.360   1.308
  152   1HH2  ARG  19          1HH2      ARG  19  -2.210   0.948   0.782
  153   2HH2  ARG  19          2HH2      ARG  19  -3.024   2.389   1.290
  154    H    TYR  20           H        TYR  20   6.386  -0.287  -1.376
  155    HA   TYR  20           HA       TYR  20   8.086   0.561  -2.715
  156   1HB   TYR  20          1HB       TYR  20   5.576   0.755  -4.125
  157   2HB   TYR  20          2HB       TYR  20   6.651   2.062  -4.596
  158    HD1  TYR  20           HD1      TYR  20   8.906   1.575  -5.516
  159    HD2  TYR  20           HD2      TYR  20   6.085  -1.543  -4.641
  160    HE1  TYR  20           HE1      TYR  20  10.237  -0.010  -6.883
  161    HE2  TYR  20           HE2      TYR  20   7.414  -3.129  -6.008
  162    HH   TYR  20           HH       TYR  20   9.932  -3.275  -6.726
  163    H    ARG  21           H        ARG  21   7.743   2.088  -0.453
  164    HA   ARG  21           HA       ARG  21   7.433   4.908  -1.235
  165   1HB   ARG  21          1HB       ARG  21   7.044   3.580   1.127
  166   2HB   ARG  21          2HB       ARG  21   8.638   4.287   1.391
  167   1HG   ARG  21          1HG       ARG  21   7.508   6.454   0.396
  168   2HG   ARG  21          2HG       ARG  21   6.017   5.661   0.903
  169   1HD   ARG  21          1HD       ARG  21   6.433   6.051   3.092
  170   2HD   ARG  21          2HD       ARG  21   8.114   5.537   2.944
  171    HE   ARG  21           HE       ARG  21   7.114   8.298   2.474
  172   1HH1  ARG  21          1HH2      ARG  21   9.338   6.745   4.261
  173   2HH1  ARG  21          2HH2      ARG  21  10.731   7.589   3.675
  174   1HH2  ARG  21          1HH1      ARG  21   9.053   9.071   1.030
  175   2HH2  ARG  21          2HH1      ARG  21  10.572   8.904   1.846
  176    H    SER  22           H        SER  22   9.466   3.700  -2.725
  177    HA   SER  22           HA       SER  22  11.653   4.232  -3.405
  178   1HB   SER  22          1HB       SER  22  11.029   6.501  -2.341
  179   2HB   SER  22          2HB       SER  22  11.913   5.937  -0.925
  180    HG   SER  22           HG       SER  22  13.162   7.149  -2.516
  181    H    VAL  23           H        VAL  23  11.213   1.875  -1.992
  182    HA   VAL  23           HA       VAL  23  12.878   1.578   0.316
  183    HB   VAL  23           HB       VAL  23  11.122  -0.048  -0.300
  184   1HG1  VAL  23          1HG1      VAL  23  11.684   0.133  -2.800
  185   2HG1  VAL  23          2HG1      VAL  23  12.986  -1.011  -2.474
  186   3HG1  VAL  23          3HG1      VAL  23  11.310  -1.477  -2.189
  187   1HG2  VAL  23          1HG2      VAL  23  13.959  -1.098  -0.195
  188   2HG2  VAL  23          2HG2      VAL  23  12.869  -0.833   1.166
  189   3HG2  VAL  23          3HG2      VAL  23  12.531  -2.115   0.003
  190    H    ILE  24           H        ILE  24  13.490   0.827  -3.137
  191    HA   ILE  24           HA       ILE  24  16.366   1.288  -2.606
  192    HB   ILE  24           HB       ILE  24  15.247  -1.158  -3.998
  193   1HG1  ILE  24          1HG1      ILE  24  17.187  -1.594  -1.892
  194   2HG1  ILE  24          2HG1      ILE  24  15.831  -0.640  -1.292
  195   1HG2  ILE  24          1HG2      ILE  24  17.988   0.063  -3.878
  196   2HG2  ILE  24          2HG2      ILE  24  17.831  -1.693  -3.928
  197   3HG2  ILE  24          3HG2      ILE  24  17.173  -0.711  -5.237
  198   1HD1  ILE  24          1HD1      ILE  24  14.686  -2.628  -2.917
  199   2HD1  ILE  24          2HD1      ILE  24  15.917  -3.451  -1.958
  200   3HD1  ILE  24          3HD1      ILE  24  14.639  -2.538  -1.156
  201    H    LYS  25           H        LYS  25  14.163   2.705  -3.926
  202    HA   LYS  25           HA       LYS  25  13.535   3.551  -6.072
  203   1HB   LYS  25          1HB       LYS  25  16.430   4.265  -5.567
  204   2HB   LYS  25          2HB       LYS  25  15.437   5.026  -6.808
  205   1HG   LYS  25          1HG       LYS  25  13.770   5.248  -4.685
  206   2HG   LYS  25          2HG       LYS  25  15.329   5.332  -3.863
  207   1HD   LYS  25          1HD       LYS  25  14.511   7.050  -6.223
  208   2HD   LYS  25          2HD       LYS  25  14.528   7.580  -4.541
  209   1HE   LYS  25          1HE       LYS  25  17.029   6.375  -5.689
  210   2HE   LYS  25          2HE       LYS  25  16.626   8.059  -6.079
  211   1HZ   LYS  25          1HZ       LYS  25  16.075   8.114  -3.530
  212   2HZ   LYS  25          2HZ       LYS  25  17.197   6.843  -3.472
  213   3HZ   LYS  25          3HZ       LYS  25  17.663   8.358  -4.081
  214    H    ALA  26           H        ALA  26  16.862   3.141  -7.069
  215    HA   ALA  26           HA       ALA  26  15.912   1.215  -9.153
  216   1HB   ALA  26          1HB       ALA  26  16.698   3.643  -9.787
  217   2HB   ALA  26          2HB       ALA  26  18.313   2.980  -9.541
  218   3HB   ALA  26          3HB       ALA  26  17.245   2.273 -10.754
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -18.067  -1.336   2.760
    2   2H    MET   1          2H        MET   1 -18.624  -1.541   1.170
    3   3H    MET   1          3H        MET   1 -16.988  -1.803   1.532
    4    HA   MET   1           HA       MET   1 -16.748   0.294   0.734
    5   1HB   MET   1          1HB       MET   1 -19.652   0.520   1.574
    6   2HB   MET   1          2HB       MET   1 -18.760   1.852   0.841
    7   1HG   MET   1          1HG       MET   1 -18.215  -0.298  -0.839
    8   2HG   MET   1          2HG       MET   1 -19.913  -0.521  -0.419
    9   1HE   MET   1          1HE       MET   1 -19.407  -0.490  -2.898
   10   2HE   MET   1          2HE       MET   1 -20.837   0.456  -3.338
   11   3HE   MET   1          3HE       MET   1 -19.244   0.940  -3.915
   12    HA   PRO   2           HA       PRO   2 -16.300   1.226   5.285
   13   1HB   PRO   2          1HB       PRO   2 -13.612   0.768   5.468
   14   2HB   PRO   2          2HB       PRO   2 -14.824  -0.507   5.704
   15   1HG   PRO   2          1HG       PRO   2 -13.111   0.060   3.348
   16   2HG   PRO   2          2HG       PRO   2 -13.664  -1.490   3.998
   17   1HD   PRO   2          1HD       PRO   2 -14.751  -0.230   1.798
   18   2HD   PRO   2          2HD       PRO   2 -15.591  -1.443   2.788
   19    H    GLY   3           H        GLY   3 -16.575   3.115   3.270
   20   1HA   GLY   3          1HA       GLY   3 -15.826   5.210   2.516
   21   2HA   GLY   3          2HA       GLY   3 -15.170   5.355   4.148
   22    H    THR   4           H        THR   4 -13.566   6.625   2.637
   23    HA   THR   4           HA       THR   4 -11.570   6.692   1.375
   24    HB   THR   4           HB       THR   4 -10.873   6.549   3.705
   25    HG1  THR   4           HG1      THR   4  -9.453   5.359   1.653
   26   1HG2  THR   4          1HG2      THR   4 -12.037   4.402   4.213
   27   2HG2  THR   4          2HG2      THR   4 -10.793   3.548   3.301
   28   3HG2  THR   4          3HG2      THR   4 -10.367   4.425   4.770
   29    H    ILE   5           H        ILE   5 -12.783   5.401  -0.371
   30    HA   ILE   5           HA       ILE   5 -12.581   2.660  -0.780
   31    HB   ILE   5           HB       ILE   5 -12.446   4.974  -2.702
   32   1HG1  ILE   5          1HG1      ILE   5 -14.605   3.365  -3.301
   33   2HG1  ILE   5          2HG1      ILE   5 -14.473   3.176  -1.552
   34   1HG2  ILE   5          1HG2      ILE   5 -11.918   2.085  -3.219
   35   2HG2  ILE   5          2HG2      ILE   5 -12.963   2.927  -4.364
   36   3HG2  ILE   5          3HG2      ILE   5 -11.322   3.507  -4.076
   37   1HD1  ILE   5          1HD1      ILE   5 -14.133   5.953  -2.437
   38   2HD1  ILE   5          2HD1      ILE   5 -15.716   5.287  -2.838
   39   3HD1  ILE   5          3HD1      ILE   5 -15.162   5.299  -1.164
   40    H    LYS   6           H        LYS   6 -10.014   4.944  -0.704
   41    HA   LYS   6           HA       LYS   6  -8.118   3.052  -1.952
   42   1HB   LYS   6          1HB       LYS   6  -8.232   5.929  -1.571
   43   2HB   LYS   6          2HB       LYS   6  -6.715   5.277  -0.947
   44   1HG   LYS   6          1HG       LYS   6  -7.523   4.127  -3.533
   45   2HG   LYS   6          2HG       LYS   6  -7.200   5.861  -3.594
   46   1HD   LYS   6          1HD       LYS   6  -5.108   5.005  -2.066
   47   2HD   LYS   6          2HD       LYS   6  -5.339   3.612  -3.125
   48   1HE   LYS   6          1HE       LYS   6  -4.838   4.827  -5.056
   49   2HE   LYS   6          2HE       LYS   6  -5.313   6.373  -4.325
   50   1HZ   LYS   6          1HZ       LYS   6  -2.979   4.722  -3.507
   51   2HZ   LYS   6          2HZ       LYS   6  -2.896   6.151  -4.421
   52   3HZ   LYS   6          3HZ       LYS   6  -3.438   6.206  -2.815
   53    H    GLU   7           H        GLU   7  -9.065   1.873   0.214
   54    HA   GLU   7           HA       GLU   7  -7.707   2.570   2.682
   55   1HB   GLU   7          1HB       GLU   7  -9.878   1.300   2.559
   56   2HB   GLU   7          2HB       GLU   7  -8.979  -0.073   1.914
   57   1HG   GLU   7          1HG       GLU   7  -7.594  -0.142   3.942
   58   2HG   GLU   7          2HG       GLU   7  -8.455   1.254   4.592
   59    H    ASN   8           H        ASN   8  -5.757   2.522   0.812
   60    HA   ASN   8           HA       ASN   8  -4.447  -0.108   0.772
   61   1HB   ASN   8          1HB       ASN   8  -4.240   2.384  -0.695
   62   2HB   ASN   8          2HB       ASN   8  -2.651   1.848  -0.148
   63   1HD2  ASN   8          2HD2      ASN   8  -5.527   0.781  -1.992
   64   2HD2  ASN   8          1HD2      ASN   8  -4.714  -0.419  -2.875
   65    H    ILE   9           H        ILE   9  -4.741   0.611   3.391
   66    HA   ILE   9           HA       ILE   9  -2.885   2.202   4.700
   67    HB   ILE   9           HB       ILE   9  -3.837  -0.575   5.366
   68   1HG1  ILE   9          1HG1      ILE   9  -4.925   0.915   7.247
   69   2HG1  ILE   9          2HG1      ILE   9  -4.602   2.225   6.109
   70   1HG2  ILE   9          1HG2      ILE   9  -2.152   1.242   7.083
   71   2HG2  ILE   9          2HG2      ILE   9  -2.978  -0.206   7.658
   72   3HG2  ILE   9          3HG2      ILE   9  -1.691  -0.344   6.463
   73   1HD1  ILE   9          1HD1      ILE   9  -5.845  -0.195   4.940
   74   2HD1  ILE   9          2HD1      ILE   9  -6.862   0.715   6.057
   75   3HD1  ILE   9          3HD1      ILE   9  -6.188   1.507   4.634
   76    H    ILE  10           H        ILE  10  -0.831   1.430   5.801
   77    HA   ILE  10           HA       ILE  10   1.152   0.775   3.888
   78    HB   ILE  10           HB       ILE  10   1.096   0.668   6.906
   79   1HG1  ILE  10          1HG1      ILE  10   3.059   2.372   6.244
   80   2HG1  ILE  10          2HG1      ILE  10   2.117   2.471   4.756
   81   1HG2  ILE  10          1HG2      ILE  10   2.589  -1.150   6.142
   82   2HG2  ILE  10          2HG2      ILE  10   3.447  -0.009   5.108
   83   3HG2  ILE  10          3HG2      ILE  10   3.512   0.168   6.862
   84   1HD1  ILE  10          1HD1      ILE  10   0.557   2.603   7.275
   85   2HD1  ILE  10          2HD1      ILE  10   1.595   3.989   6.943
   86   3HD1  ILE  10          3HD1      ILE  10   0.359   3.514   5.779
   87    H    PHE  11           H        PHE  11   1.790  -1.194   3.055
   88    HA   PHE  11           HA       PHE  11   1.762  -3.502   2.688
   89   1HB   PHE  11          1HB       PHE  11   2.924  -3.912   4.675
   90   2HB   PHE  11          2HB       PHE  11   1.668  -3.194   5.674
   91    HD1  PHE  11           HD1      PHE  11   2.257  -6.133   3.410
   92    HD2  PHE  11           HD2      PHE  11   0.208  -4.569   6.846
   93    HE1  PHE  11           HE1      PHE  11   1.312  -8.376   3.869
   94    HE2  PHE  11           HE2      PHE  11  -0.739  -6.813   7.305
   95    HZ   PHE  11           HZ       PHE  11  -0.186  -8.720   5.816
   96    H    GLY  12           H        GLY  12  -0.653  -1.817   2.651
   97   1HA   GLY  12          1HA       GLY  12  -2.903  -3.326   3.605
   98   2HA   GLY  12          2HA       GLY  12  -2.970  -2.081   2.366
   99    H    VAL  13           H        VAL  13  -2.618  -2.690   0.200
  100    HA   VAL  13           HA       VAL  13  -3.054  -5.579  -0.310
  101    HB   VAL  13           HB       VAL  13  -4.548  -3.383  -1.118
  102   1HG1  VAL  13          1HG1      VAL  13  -2.551  -3.045  -2.782
  103   2HG1  VAL  13          2HG1      VAL  13  -3.272  -4.408  -3.638
  104   3HG1  VAL  13          3HG1      VAL  13  -4.206  -2.934  -3.385
  105   1HG2  VAL  13          1HG2      VAL  13  -4.305  -6.211  -2.117
  106   2HG2  VAL  13          2HG2      VAL  13  -5.516  -5.525  -1.033
  107   3HG2  VAL  13          3HG2      VAL  13  -5.534  -5.115  -2.749
  108    H    SER  14           H        SER  14  -0.525  -3.996   0.040
  109    HA   SER  14           HA       SER  14   0.837  -3.834  -2.470
  110   1HB   SER  14          1HB       SER  14   1.535  -3.752   0.405
  111   2HB   SER  14          2HB       SER  14   2.825  -4.287  -0.658
  112    HG   SER  14           HG       SER  14   1.608  -1.821  -0.418
  113    H    TYR  15           H        TYR  15   2.313  -5.979  -0.152
  114    HA   TYR  15           HA       TYR  15   2.696  -8.281  -0.194
  115   1HB   TYR  15          1HB       TYR  15   0.219  -8.061  -1.299
  116   2HB   TYR  15          2HB       TYR  15   1.120  -8.793  -2.619
  117    HD1  TYR  15           HD1      TYR  15   2.572 -10.868  -2.061
  118    HD2  TYR  15           HD2      TYR  15  -0.537  -9.368   0.495
  119    HE1  TYR  15           HE1      TYR  15   2.456 -13.064  -0.913
  120    HE2  TYR  15           HE2      TYR  15  -0.655 -11.565   1.642
  121    HH   TYR  15           HH       TYR  15   0.140 -14.198   0.649
  122    H    ASP  16           H        ASP  16   4.844  -7.436  -0.922
  123    HA   ASP  16           HA       ASP  16   6.595  -7.232  -2.518
  124   1HB   ASP  16          1HB       ASP  16   6.748  -9.540  -1.750
  125   2HB   ASP  16          2HB       ASP  16   5.508 -10.037  -2.900
  126    H    GLU  17           H        GLU  17   4.065  -6.266  -3.491
  127    HA   GLU  17           HA       GLU  17   4.528  -6.679  -6.395
  128   1HB   GLU  17          1HB       GLU  17   2.512  -7.907  -5.918
  129   2HB   GLU  17          2HB       GLU  17   1.880  -6.583  -4.939
  130   1HG   GLU  17          1HG       GLU  17   2.507  -5.488  -7.479
  131   2HG   GLU  17          2HG       GLU  17   1.633  -6.988  -7.771
  132    H    TYR  18           H        TYR  18   3.604  -4.600  -3.776
  133    HA   TYR  18           HA       TYR  18   3.170  -2.278  -5.514
  134   1HB   TYR  18          1HB       TYR  18   2.084  -2.674  -3.226
  135   2HB   TYR  18          2HB       TYR  18   3.640  -2.219  -2.532
  136    HD1  TYR  18           HD1      TYR  18   1.363  -1.005  -5.261
  137    HD2  TYR  18           HD2      TYR  18   3.864   0.010  -1.921
  138    HE1  TYR  18           HE1      TYR  18   0.796   1.391  -5.566
  139    HE2  TYR  18           HE2      TYR  18   3.296   2.406  -2.226
  140    HH   TYR  18           HH       TYR  18   2.500   3.896  -3.952
  141    H    ARG  19           H        ARG  19   5.769  -3.508  -5.881
  142    HA   ARG  19           HA       ARG  19   8.054  -2.976  -5.858
  143   1HB   ARG  19          1HB       ARG  19   7.173  -1.217  -7.309
  144   2HB   ARG  19          2HB       ARG  19   6.771  -0.237  -5.904
  145   1HG   ARG  19          1HG       ARG  19   9.035   0.189  -5.403
  146   2HG   ARG  19          2HG       ARG  19   9.596  -1.175  -6.366
  147   1HD   ARG  19          1HD       ARG  19   9.827   0.170  -8.152
  148   2HD   ARG  19          2HD       ARG  19   8.115   0.588  -8.069
  149    HE   ARG  19           HE       ARG  19   8.694   2.540  -6.765
  150   1HH1  ARG  19          1HH1      ARG  19  11.113   1.466  -8.770
  151   2HH1  ARG  19          2HH1      ARG  19  12.412   2.270  -7.955
  152   1HH2  ARG  19          1HH2      ARG  19  10.486   3.203  -5.231
  153   2HH2  ARG  19          2HH2      ARG  19  12.058   3.253  -5.957
  154    H    TYR  20           H        TYR  20   6.824  -3.404  -3.286
  155    HA   TYR  20           HA       TYR  20   7.114  -2.902  -0.989
  156   1HB   TYR  20          1HB       TYR  20   9.941  -2.305  -1.234
  157   2HB   TYR  20          2HB       TYR  20   9.165  -3.707  -0.507
  158    HD1  TYR  20           HD1      TYR  20   7.876  -5.162  -2.529
  159    HD2  TYR  20           HD2      TYR  20  11.490  -2.866  -2.863
  160    HE1  TYR  20           HE1      TYR  20   8.575  -6.543  -4.469
  161    HE2  TYR  20           HE2      TYR  20  12.189  -4.246  -4.801
  162    HH   TYR  20           HH       TYR  20  10.198  -6.087  -6.557
  163    H    ARG  21           H        ARG  21   6.111  -0.622  -2.083
  164    HA   ARG  21           HA       ARG  21   7.940   1.601  -1.399
  165   1HB   ARG  21          1HB       ARG  21   6.294   1.484  -3.444
  166   2HB   ARG  21          2HB       ARG  21   5.117   2.040  -2.247
  167   1HG   ARG  21          1HG       ARG  21   6.023   4.037  -3.047
  168   2HG   ARG  21          2HG       ARG  21   6.946   3.760  -1.585
  169   1HD   ARG  21          1HD       ARG  21   8.830   2.977  -2.789
  170   2HD   ARG  21          2HD       ARG  21   7.898   2.764  -4.271
  171    HE   ARG  21           HE       ARG  21   7.854   5.216  -4.508
  172   1HH1  ARG  21          1HH1      ARG  21  10.508   3.748  -3.081
  173   2HH1  ARG  21          2HH1      ARG  21  11.217   5.207  -2.477
  174   1HH2  ARG  21          1HH2      ARG  21   8.487   7.185  -3.291
  175   2HH2  ARG  21          2HH2      ARG  21  10.077   7.156  -2.602
  176    H    SER  22           H        SER  22   7.435   0.187   0.798
  177    HA   SER  22           HA       SER  22   5.645   1.979   2.336
  178   1HB   SER  22          1HB       SER  22   5.605  -1.029   2.263
  179   2HB   SER  22          2HB       SER  22   5.149  -0.183   3.741
  180    HG   SER  22           HG       SER  22   3.282  -0.050   2.769
  181    H    VAL  23           H        VAL  23   8.542   1.637   1.822
  182    HA   VAL  23           HA       VAL  23   9.586   0.857   4.486
  183    HB   VAL  23           HB       VAL  23  11.031   1.810   1.990
  184   1HG1  VAL  23          1HG1      VAL  23  11.929   0.938   4.724
  185   2HG1  VAL  23          2HG1      VAL  23  12.957   0.623   3.326
  186   3HG1  VAL  23          3HG1      VAL  23  12.512   2.279   3.738
  187   1HG2  VAL  23          1HG2      VAL  23  10.584  -0.950   3.169
  188   2HG2  VAL  23          2HG2      VAL  23   9.986  -0.356   1.620
  189   3HG2  VAL  23          3HG2      VAL  23  11.715  -0.605   1.860
  190    H    ILE  24           H        ILE  24   7.966   2.934   4.836
  191    HA   ILE  24           HA       ILE  24   7.786   5.208   5.371
  192    HB   ILE  24           HB       ILE  24   9.446   3.951   7.057
  193   1HG1  ILE  24          1HG1      ILE  24   9.484   6.084   8.377
  194   2HG1  ILE  24          2HG1      ILE  24   8.900   6.930   6.942
  195   1HG2  ILE  24          1HG2      ILE  24  11.323   5.032   5.367
  196   2HG2  ILE  24          2HG2      ILE  24  11.213   6.270   6.615
  197   3HG2  ILE  24          3HG2      ILE  24  11.620   4.612   7.050
  198   1HD1  ILE  24          1HD1      ILE  24   7.298   4.570   7.466
  199   2HD1  ILE  24          2HD1      ILE  24   7.333   5.625   8.878
  200   3HD1  ILE  24          3HD1      ILE  24   6.785   6.251   7.323
  201    H    LYS  25           H        LYS  25   8.767   4.665   2.709
  202    HA   LYS  25           HA       LYS  25  10.006   5.674   0.956
  203   1HB   LYS  25          1HB       LYS  25   8.019   7.270   1.834
  204   2HB   LYS  25          2HB       LYS  25   9.392   8.335   2.137
  205   1HG   LYS  25          1HG       LYS  25   9.780   8.666  -0.078
  206   2HG   LYS  25          2HG       LYS  25   9.481   6.975  -0.476
  207   1HD   LYS  25          1HD       LYS  25   7.386   7.446  -1.147
  208   2HD   LYS  25          2HD       LYS  25   7.028   8.237   0.388
  209   1HE   LYS  25          1HE       LYS  25   7.348  10.321  -0.485
  210   2HE   LYS  25          2HE       LYS  25   8.776   9.808  -1.408
  211   1HZ   LYS  25          1HZ       LYS  25   6.021   8.956  -2.099
  212   2HZ   LYS  25          2HZ       LYS  25   6.748  10.333  -2.778
  213   3HZ   LYS  25          3HZ       LYS  25   7.423   8.795  -3.038
  214    H    ALA  26           H        ALA  26  11.821   4.940   2.937
  215    HA   ALA  26           HA       ALA  26  13.430   7.241   3.729
  216   1HB   ALA  26          1HB       ALA  26  13.488   4.325   4.136
  217   2HB   ALA  26          2HB       ALA  26  15.086   5.053   3.975
  218   3HB   ALA  26          3HB       ALA  26  13.980   5.622   5.224
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -4.411   3.216 -12.124
    2   2H    MET   1          2H        MET   1  -3.380   2.623 -13.335
    3   3H    MET   1          3H        MET   1  -5.033   2.837 -13.655
    4    HA   MET   1           HA       MET   1  -5.576   0.843 -12.830
    5   1HB   MET   1          1HB       MET   1  -2.922   0.907 -13.781
    6   2HB   MET   1          2HB       MET   1  -2.870  -0.080 -12.320
    7   1HG   MET   1          1HG       MET   1  -4.069  -1.758 -13.270
    8   2HG   MET   1          2HG       MET   1  -5.181  -0.639 -14.058
    9   1HE   MET   1          1HE       MET   1  -5.244  -2.457 -15.497
   10   2HE   MET   1          2HE       MET   1  -4.984  -1.620 -17.025
   11   3HE   MET   1          3HE       MET   1  -4.015  -3.036 -16.629
   12    HA   PRO   2           HA       PRO   2  -3.519   0.522  -8.531
   13   1HB   PRO   2          1HB       PRO   2  -1.621   2.371  -7.857
   14   2HB   PRO   2          2HB       PRO   2  -1.233   0.846  -8.676
   15   1HG   PRO   2          1HG       PRO   2  -1.474   3.586  -9.797
   16   2HG   PRO   2          2HG       PRO   2  -0.351   2.286 -10.222
   17   1HD   PRO   2          1HD       PRO   2  -2.574   2.943 -11.687
   18   2HD   PRO   2          2HD       PRO   2  -1.814   1.337 -11.695
   19    H    GLY   3           H        GLY   3  -5.253   1.240  -7.337
   20   1HA   GLY   3          1HA       GLY   3  -5.399   3.660  -5.986
   21   2HA   GLY   3          2HA       GLY   3  -6.239   3.967  -7.507
   22    H    THR   4           H        THR   4  -8.139   4.259  -6.039
   23    HA   THR   4           HA       THR   4  -9.999   3.459  -4.820
   24    HB   THR   4           HB       THR   4 -10.571   3.128  -7.167
   25    HG1  THR   4           HG1      THR   4 -11.318   0.826  -5.700
   26   1HG2  THR   4          1HG2      THR   4  -9.099   0.524  -6.775
   27   2HG2  THR   4          2HG2      THR   4 -10.260   0.751  -8.083
   28   3HG2  THR   4          3HG2      THR   4  -8.819   1.765  -7.998
   29    H    ILE   5           H        ILE   5  -8.125   2.631  -3.219
   30    HA   ILE   5           HA       ILE   5  -8.834  -0.177  -2.619
   31    HB   ILE   5           HB       ILE   5  -6.018   0.902  -2.824
   32   1HG1  ILE   5          1HG1      ILE   5  -6.758  -1.700  -3.988
   33   2HG1  ILE   5          2HG1      ILE   5  -7.629  -0.335  -4.689
   34   1HG2  ILE   5          1HG2      ILE   5  -7.207  -1.208  -1.155
   35   2HG2  ILE   5          2HG2      ILE   5  -5.855  -1.765  -2.141
   36   3HG2  ILE   5          3HG2      ILE   5  -5.634  -0.422  -1.018
   37   1HD1  ILE   5          1HD1      ILE   5  -5.495   0.827  -5.089
   38   2HD1  ILE   5          2HD1      ILE   5  -4.623  -0.543  -4.401
   39   3HD1  ILE   5          3HD1      ILE   5  -5.529  -0.740  -5.901
   40    H    LYS   6           H        LYS   6 -10.110   0.934  -0.989
   41    HA   LYS   6           HA       LYS   6  -8.533   1.465   1.453
   42   1HB   LYS   6          1HB       LYS   6  -9.034   3.660   0.169
   43   2HB   LYS   6          2HB       LYS   6 -10.707   3.403   0.667
   44   1HG   LYS   6          1HG       LYS   6  -9.665   4.800   2.335
   45   2HG   LYS   6          2HG       LYS   6  -9.878   3.199   3.043
   46   1HD   LYS   6          1HD       LYS   6  -7.354   3.348   1.634
   47   2HD   LYS   6          2HD       LYS   6  -7.471   4.641   2.828
   48   1HE   LYS   6          1HE       LYS   6  -8.342   2.728   4.417
   49   2HE   LYS   6          2HE       LYS   6  -7.518   1.664   3.259
   50   1HZ   LYS   6          1HZ       LYS   6  -5.640   3.408   3.450
   51   2HZ   LYS   6          2HZ       LYS   6  -6.387   3.821   4.919
   52   3HZ   LYS   6          3HZ       LYS   6  -5.807   2.245   4.678
   53    H    GLU   7           H        GLU   7  -9.936  -0.806   1.118
   54    HA   GLU   7           HA       GLU   7 -12.360  -0.351   2.801
   55   1HB   GLU   7          1HB       GLU   7 -12.816  -0.977   0.333
   56   2HB   GLU   7          2HB       GLU   7 -12.196  -2.572   0.765
   57   1HG   GLU   7          1HG       GLU   7 -13.990  -3.058   2.119
   58   2HG   GLU   7          2HG       GLU   7 -14.230  -1.373   2.581
   59    H    ASN   8           H        ASN   8  -9.723  -0.955   3.681
   60    HA   ASN   8           HA       ASN   8 -10.298  -3.438   5.155
   61   1HB   ASN   8          1HB       ASN   8  -8.945  -3.867   2.905
   62   2HB   ASN   8          2HB       ASN   8  -7.590  -3.300   3.881
   63   1HD2  ASN   8          2HD2      ASN   8  -6.734  -5.566   3.778
   64   2HD2  ASN   8          1HD2      ASN   8  -7.387  -6.752   4.804
   65    H    ILE   9           H        ILE   9 -10.391  -1.755   6.837
   66    HA   ILE   9           HA       ILE   9  -8.341   0.040   7.485
   67    HB   ILE   9           HB       ILE   9 -10.360  -1.418   9.161
   68   1HG1  ILE   9          1HG1      ILE   9 -10.727   1.208   9.595
   69   2HG1  ILE   9          2HG1      ILE   9  -9.929   1.306   8.026
   70   1HG2  ILE   9          1HG2      ILE   9  -8.002   0.230  10.076
   71   2HG2  ILE   9          2HG2      ILE   9  -9.489   0.187  11.024
   72   3HG2  ILE   9          3HG2      ILE   9  -8.591  -1.301  10.721
   73   1HD1  ILE   9          1HD1      ILE   9 -12.036  -0.760   8.236
   74   2HD1  ILE   9          2HD1      ILE   9 -12.607   0.906   8.332
   75   3HD1  ILE   9          3HD1      ILE   9 -11.691   0.367   6.923
   76    H    ILE  10           H        ILE  10  -8.271  -3.381   7.685
   77    HA   ILE  10           HA       ILE  10  -6.646  -3.988   9.817
   78    HB   ILE  10           HB       ILE  10  -6.011  -4.981   7.033
   79   1HG1  ILE  10          1HG1      ILE  10  -8.384  -5.160   7.177
   80   2HG1  ILE  10          2HG1      ILE  10  -7.780  -6.744   7.645
   81   1HG2  ILE  10          1HG2      ILE  10  -5.437  -5.795   9.821
   82   2HG2  ILE  10          2HG2      ILE  10  -5.937  -7.103   8.748
   83   3HG2  ILE  10          3HG2      ILE  10  -4.529  -6.120   8.345
   84   1HD1  ILE  10          1HD1      ILE  10  -8.561  -4.538   9.574
   85   2HD1  ILE  10          2HD1      ILE  10  -9.543  -5.955   9.200
   86   3HD1  ILE  10          3HD1      ILE  10  -7.995  -6.147  10.023
   87    H    PHE  11           H        PHE  11  -4.201  -4.293   9.830
   88    HA   PHE  11           HA       PHE  11  -2.913  -1.780   9.392
   89   1HB   PHE  11          1HB       PHE  11  -2.266  -4.298  10.626
   90   2HB   PHE  11          2HB       PHE  11  -0.927  -3.792   9.595
   91    HD1  PHE  11           HD1      PHE  11  -0.084  -1.376   9.814
   92    HD2  PHE  11           HD2      PHE  11  -2.633  -3.263  12.706
   93    HE1  PHE  11           HE1      PHE  11   0.559   0.331  11.494
   94    HE2  PHE  11           HE2      PHE  11  -1.995  -1.558  14.387
   95    HZ   PHE  11           HZ       PHE  11  -0.397   0.241  13.783
   96    H    GLY  12           H        GLY  12  -3.941  -2.197   6.994
   97   1HA   GLY  12          1HA       GLY  12  -2.038  -3.576   5.223
   98   2HA   GLY  12          2HA       GLY  12  -3.479  -2.697   4.709
   99    H    VAL  13           H        VAL  13  -2.041  -0.625   6.770
  100    HA   VAL  13           HA       VAL  13  -0.692   0.785   4.546
  101    HB   VAL  13           HB       VAL  13  -2.462   1.980   5.818
  102   1HG1  VAL  13          1HG1      VAL  13  -1.697   0.717   7.992
  103   2HG1  VAL  13          2HG1      VAL  13  -0.564   2.058   8.151
  104   3HG1  VAL  13          3HG1      VAL  13  -2.300   2.368   8.124
  105   1HG2  VAL  13          1HG2      VAL  13   0.020   2.870   5.028
  106   2HG2  VAL  13          2HG2      VAL  13  -1.311   3.909   5.539
  107   3HG2  VAL  13          3HG2      VAL  13  -0.070   3.432   6.698
  108    H    SER  14           H        SER  14   0.561  -1.440   5.943
  109    HA   SER  14           HA       SER  14   2.894   0.022   7.121
  110   1HB   SER  14          1HB       SER  14   1.366  -1.641   8.574
  111   2HB   SER  14          2HB       SER  14   2.413  -2.842   7.824
  112    HG   SER  14           HG       SER  14   4.125  -1.990   8.817
  113    H    TYR  15           H        TYR  15   2.171  -0.942   4.342
  114    HA   TYR  15           HA       TYR  15   4.754  -2.122   3.713
  115   1HB   TYR  15          1HB       TYR  15   2.311  -3.596   2.753
  116   2HB   TYR  15          2HB       TYR  15   3.976  -4.154   2.840
  117    HD1  TYR  15           HD1      TYR  15   4.992  -4.793   4.994
  118    HD2  TYR  15           HD2      TYR  15   0.862  -3.648   4.709
  119    HE1  TYR  15           HE1      TYR  15   4.574  -5.759   7.239
  120    HE2  TYR  15           HE2      TYR  15   0.446  -4.615   6.955
  121    HH   TYR  15           HH       TYR  15   2.365  -5.087   9.140
  122    H    ASP  16           H        ASP  16   3.035   0.245   3.218
  123    HA   ASP  16           HA       ASP  16   3.455   0.375   0.308
  124   1HB   ASP  16          1HB       ASP  16   0.969  -0.309   1.016
  125   2HB   ASP  16          2HB       ASP  16   0.831   1.427   1.298
  126    H    GLU  17           H        GLU  17   4.511   1.456   2.826
  127    HA   GLU  17           HA       GLU  17   4.455   4.306   2.033
  128   1HB   GLU  17          1HB       GLU  17   4.197   3.432   4.928
  129   2HB   GLU  17          2HB       GLU  17   4.124   5.080   4.301
  130   1HG   GLU  17          1HG       GLU  17   2.103   4.378   2.951
  131   2HG   GLU  17          2HG       GLU  17   2.123   2.854   3.840
  132    H    TYR  18           H        TYR  18   6.227   1.639   2.458
  133    HA   TYR  18           HA       TYR  18   8.464   2.646   4.000
  134   1HB   TYR  18          1HB       TYR  18   8.142   0.236   3.699
  135   2HB   TYR  18          2HB       TYR  18   8.276   0.421   1.953
  136    HD1  TYR  18           HD1      TYR  18  10.115   0.529   5.156
  137    HD2  TYR  18           HD2      TYR  18  10.423   0.792   0.879
  138    HE1  TYR  18           HE1      TYR  18  12.579   0.303   5.320
  139    HE2  TYR  18           HE2      TYR  18  12.887   0.565   1.044
  140    HH   TYR  18           HH       TYR  18  14.575   0.910   3.951
  141    H    ARG  19           H        ARG  19   7.191   3.677   1.141
  142    HA   ARG  19           HA       ARG  19   8.001   4.980  -0.593
  143   1HB   ARG  19          1HB       ARG  19   9.001   6.277   1.226
  144   2HB   ARG  19          2HB       ARG  19  10.365   5.164   1.268
  145   1HG   ARG  19          1HG       ARG  19  11.250   5.958  -0.716
  146   2HG   ARG  19          2HG       ARG  19   9.678   6.453  -1.339
  147   1HD   ARG  19          1HD       ARG  19  10.623   7.854   1.106
  148   2HD   ARG  19          2HD       ARG  19  11.480   8.225  -0.390
  149    HE   ARG  19           HE       ARG  19   8.880   8.469  -1.174
  150   1HH1  ARG  19          1HH1      ARG  19  10.734   9.674   1.479
  151   2HH1  ARG  19          2HH1      ARG  19   9.729  11.063   1.717
  152   1HH2  ARG  19          1HH2      ARG  19   7.536  10.253  -0.839
  153   2HH2  ARG  19          2HH2      ARG  19   7.925  11.393   0.406
  154    H    TYR  20           H        TYR  20   8.482   2.086  -0.303
  155    HA   TYR  20           HA       TYR  20   9.813   1.557  -2.720
  156   1HB   TYR  20          1HB       TYR  20  11.699   2.422  -0.876
  157   2HB   TYR  20          2HB       TYR  20  11.848   0.667  -0.819
  158    HD1  TYR  20           HD1      TYR  20  11.606   3.508  -3.255
  159    HD2  TYR  20           HD2      TYR  20  13.056  -0.461  -2.478
  160    HE1  TYR  20           HE1      TYR  20  12.825   3.530  -5.416
  161    HE2  TYR  20           HE2      TYR  20  14.275  -0.439  -4.638
  162    HH   TYR  20           HH       TYR  20  15.135   1.090  -6.247
  163    H    ARG  21           H        ARG  21   7.830   0.477  -0.565
  164    HA   ARG  21           HA       ARG  21   8.579  -2.366  -1.019
  165   1HB   ARG  21          1HB       ARG  21   8.871  -1.240   1.449
  166   2HB   ARG  21          2HB       ARG  21   7.204  -1.809   1.540
  167   1HG   ARG  21          1HG       ARG  21   7.807  -4.038   1.290
  168   2HG   ARG  21          2HG       ARG  21   9.294  -3.643   0.425
  169   1HD   ARG  21          1HD       ARG  21  10.163  -4.241   2.492
  170   2HD   ARG  21          2HD       ARG  21   9.948  -2.506   2.726
  171    HE   ARG  21           HE       ARG  21   7.795  -4.384   3.581
  172   1HH1  ARG  21          1HH1      ARG  21  10.577  -2.724   4.587
  173   2HH1  ARG  21          2HH1      ARG  21   9.859  -2.066   6.019
  174   1HH2  ARG  21          1HH2      ARG  21   6.674  -3.209   5.267
  175   2HH2  ARG  21          2HH2      ARG  21   7.649  -2.341   6.404
  176    H    SER  22           H        SER  22   6.951  -1.858  -2.774
  177    HA   SER  22           HA       SER  22   4.820  -2.435  -3.586
  178   1HB   SER  22          1HB       SER  22   3.571  -2.529  -0.897
  179   2HB   SER  22          2HB       SER  22   3.394  -3.632  -2.257
  180    HG   SER  22           HG       SER  22   5.510  -4.401  -1.764
  181    H    VAL  23           H        VAL  23   5.738   0.212  -3.207
  182    HA   VAL  23           HA       VAL  23   3.339   1.686  -2.237
  183    HB   VAL  23           HB       VAL  23   5.877   2.981  -3.213
  184   1HG1  VAL  23          1HG1      VAL  23   3.581   3.655  -1.394
  185   2HG1  VAL  23          2HG1      VAL  23   5.132   4.469  -1.178
  186   3HG1  VAL  23          3HG1      VAL  23   4.271   4.602  -2.711
  187   1HG2  VAL  23          1HG2      VAL  23   6.376   1.101  -1.558
  188   2HG2  VAL  23          2HG2      VAL  23   6.907   2.710  -1.068
  189   3HG2  VAL  23          3HG2      VAL  23   5.440   2.018  -0.376
  190    H    ILE  24           H        ILE  24   5.561   1.634  -5.042
  191    HA   ILE  24           HA       ILE  24   3.364   2.811  -6.672
  192    HB   ILE  24           HB       ILE  24   6.335   2.566  -7.238
  193   1HG1  ILE  24          1HG1      ILE  24   5.869   4.253  -5.551
  194   2HG1  ILE  24          2HG1      ILE  24   6.212   5.073  -7.075
  195   1HG2  ILE  24          1HG2      ILE  24   4.037   3.072  -8.960
  196   2HG2  ILE  24          2HG2      ILE  24   5.178   4.416  -8.981
  197   3HG2  ILE  24          3HG2      ILE  24   5.721   2.791  -9.399
  198   1HD1  ILE  24          1HD1      ILE  24   3.628   4.951  -7.437
  199   2HD1  ILE  24          2HD1      ILE  24   3.567   4.690  -5.694
  200   3HD1  ILE  24          3HD1      ILE  24   4.274   6.171  -6.340
  201    H    LYS  25           H        LYS  25   3.425   0.042  -5.827
  202    HA   LYS  25           HA       LYS  25   2.734  -1.244  -8.274
  203   1HB   LYS  25          1HB       LYS  25   5.424  -1.056  -8.183
  204   2HB   LYS  25          2HB       LYS  25   5.213  -2.546  -7.262
  205   1HG   LYS  25          1HG       LYS  25   5.473  -2.977  -9.700
  206   2HG   LYS  25          2HG       LYS  25   3.913  -3.528  -9.088
  207   1HD   LYS  25          1HD       LYS  25   2.760  -2.016 -10.330
  208   2HD   LYS  25          2HD       LYS  25   3.919  -0.728 -10.001
  209   1HE   LYS  25          1HE       LYS  25   4.995  -1.082 -11.970
  210   2HE   LYS  25          2HE       LYS  25   5.046  -2.836 -11.702
  211   1HZ   LYS  25          1HZ       LYS  25   2.632  -1.311 -12.527
  212   2HZ   LYS  25          2HZ       LYS  25   3.596  -2.231 -13.577
  213   3HZ   LYS  25          3HZ       LYS  25   2.738  -2.997 -12.326
  214    H    ALA  26           H        ALA  26   1.018  -2.172  -7.173
  215    HA   ALA  26           HA       ALA  26   1.352  -4.574  -5.733
  216   1HB   ALA  26          1HB       ALA  26   1.062  -2.124  -3.973
  217   2HB   ALA  26          2HB       ALA  26   0.745  -3.767  -3.417
  218   3HB   ALA  26          3HB       ALA  26   2.367  -3.311  -3.940
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -14.019   3.476  -6.925
    2   2H    MET   1          2H        MET   1 -13.270   4.575  -5.873
    3   3H    MET   1          3H        MET   1 -12.391   3.902  -7.161
    4    HA   MET   1           HA       MET   1 -11.633   2.571  -5.476
    5   1HB   MET   1          1HB       MET   1 -13.175   2.053  -3.550
    6   2HB   MET   1          2HB       MET   1 -12.909   3.779  -3.795
    7   1HG   MET   1          1HG       MET   1 -15.111   2.994  -5.436
    8   2HG   MET   1          2HG       MET   1 -15.390   2.358  -3.815
    9   1HE   MET   1          1HE       MET   1 -16.184   3.344  -2.092
   10   2HE   MET   1          2HE       MET   1 -14.783   4.253  -1.534
   11   3HE   MET   1          3HE       MET   1 -16.355   5.051  -1.687
   12    HA   PRO   2           HA       PRO   2 -14.104  -0.463  -8.008
   13   1HB   PRO   2          1HB       PRO   2 -12.006  -1.332  -9.537
   14   2HB   PRO   2          2HB       PRO   2 -13.010   0.062  -9.982
   15   1HG   PRO   2          1HG       PRO   2 -10.309  -0.005  -8.740
   16   2HG   PRO   2          2HG       PRO   2 -10.969   1.105  -9.950
   17   1HD   PRO   2          1HD       PRO   2 -10.718   1.724  -7.297
   18   2HD   PRO   2          2HD       PRO   2 -11.922   2.461  -8.377
   19    H    GLY   3           H        GLY   3 -14.135  -1.607  -5.908
   20   1HA   GLY   3          1HA       GLY   3 -13.058  -4.124  -5.800
   21   2HA   GLY   3          2HA       GLY   3 -11.774  -3.137  -5.095
   22    H    THR   4           H        THR   4 -12.713  -4.878  -3.347
   23    HA   THR   4           HA       THR   4 -14.886  -3.542  -1.804
   24    HB   THR   4           HB       THR   4 -15.032  -6.017  -2.354
   25    HG1  THR   4           HG1      THR   4 -16.138  -6.147  -0.581
   26   1HG2  THR   4          1HG2      THR   4 -12.386  -5.933  -1.297
   27   2HG2  THR   4          2HG2      THR   4 -13.366  -6.921  -0.212
   28   3HG2  THR   4          3HG2      THR   4 -13.262  -7.330  -1.924
   29    H    ILE   5           H        ILE   5 -12.622  -2.079  -1.656
   30    HA   ILE   5           HA       ILE   5 -10.903  -2.948   0.534
   31    HB   ILE   5           HB       ILE   5 -11.142  -0.239  -0.796
   32   1HG1  ILE   5          1HG1      ILE   5  -8.770  -1.513  -1.557
   33   2HG1  ILE   5          2HG1      ILE   5  -9.994  -2.780  -1.639
   34   1HG2  ILE   5          1HG2      ILE   5  -9.956  -0.737   1.576
   35   2HG2  ILE   5          2HG2      ILE   5  -8.642  -1.208   0.498
   36   3HG2  ILE   5          3HG2      ILE   5  -9.305   0.424   0.420
   37   1HD1  ILE   5          1HD1      ILE   5 -11.431  -0.987  -2.868
   38   2HD1  ILE   5          2HD1      ILE   5  -9.894  -0.162  -3.122
   39   3HD1  ILE   5          3HD1      ILE   5 -10.140  -1.786  -3.764
   40    H    LYS   6           H        LYS   6 -12.265   0.267   0.515
   41    HA   LYS   6           HA       LYS   6 -13.646   1.370   2.078
   42   1HB   LYS   6          1HB       LYS   6 -14.980  -0.830   1.926
   43   2HB   LYS   6          2HB       LYS   6 -14.127  -1.310   3.392
   44   1HG   LYS   6          1HG       LYS   6 -16.215  -0.302   4.060
   45   2HG   LYS   6          2HG       LYS   6 -14.920   0.826   4.463
   46   1HD   LYS   6          1HD       LYS   6 -15.352   2.085   2.394
   47   2HD   LYS   6          2HD       LYS   6 -16.633   0.950   1.963
   48   1HE   LYS   6          1HE       LYS   6 -17.943   1.592   3.909
   49   2HE   LYS   6          2HE       LYS   6 -16.624   2.622   4.499
   50   1HZ   LYS   6          1HZ       LYS   6 -17.833   2.937   1.811
   51   2HZ   LYS   6          2HZ       LYS   6 -18.385   3.797   3.169
   52   3HZ   LYS   6          3HZ       LYS   6 -16.795   4.013   2.618
   53    H    GLU   7           H        GLU   7 -10.894   1.262   2.442
   54    HA   GLU   7           HA       GLU   7 -10.591   1.963   5.174
   55   1HB   GLU   7          1HB       GLU   7 -10.918  -0.589   5.344
   56   2HB   GLU   7          2HB       GLU   7  -9.328  -0.722   4.592
   57   1HG   GLU   7          1HG       GLU   7  -8.386   0.710   6.399
   58   2HG   GLU   7          2HG       GLU   7  -9.969   0.724   7.178
   59    H    ASN   8           H        ASN   8  -9.653   3.488   3.384
   60    HA   ASN   8           HA       ASN   8  -7.754   4.496   2.486
   61   1HB   ASN   8          1HB       ASN   8  -6.651   4.338   4.554
   62   2HB   ASN   8          2HB       ASN   8  -6.588   2.582   4.493
   63   1HD2  ASN   8          2HD2      ASN   8  -4.751   5.390   3.941
   64   2HD2  ASN   8          1HD2      ASN   8  -3.507   4.692   3.021
   65    H    ILE   9           H        ILE   9  -8.065   3.866   0.399
   66    HA   ILE   9           HA       ILE   9  -8.106   1.661  -1.041
   67    HB   ILE   9           HB       ILE   9  -6.241   3.956  -1.616
   68   1HG1  ILE   9          1HG1      ILE   9  -8.808   4.250  -1.314
   69   2HG1  ILE   9          2HG1      ILE   9  -8.067   4.917  -2.765
   70   1HG2  ILE   9          1HG2      ILE   9  -6.625   1.422  -2.974
   71   2HG2  ILE   9          2HG2      ILE   9  -7.102   2.768  -4.010
   72   3HG2  ILE   9          3HG2      ILE   9  -5.476   2.712  -3.328
   73   1HD1  ILE   9          1HD1      ILE   9  -9.431   2.212  -2.589
   74   2HD1  ILE   9          2HD1      ILE   9 -10.142   3.665  -3.292
   75   3HD1  ILE   9          3HD1      ILE   9  -8.730   2.923  -4.042
   76    H    ILE  10           H        ILE  10  -4.850   2.652  -1.538
   77    HA   ILE  10           HA       ILE  10  -3.634   0.264  -1.865
   78    HB   ILE  10           HB       ILE  10  -2.598   2.732  -0.476
   79   1HG1  ILE  10          1HG1      ILE  10  -1.104   2.440  -2.665
   80   2HG1  ILE  10          2HG1      ILE  10  -2.480   1.471  -3.190
   81   1HG2  ILE  10          1HG2      ILE  10  -1.327   0.044  -0.684
   82   2HG2  ILE  10          2HG2      ILE  10  -0.315   1.433  -1.074
   83   3HG2  ILE  10          3HG2      ILE  10  -1.077   1.315   0.512
   84   1HD1  ILE  10          1HD1      ILE  10  -3.424   3.905  -1.963
   85   2HD1  ILE  10          2HD1      ILE  10  -2.254   4.291  -3.225
   86   3HD1  ILE  10          3HD1      ILE  10  -3.679   3.327  -3.610
   87    H    PHE  11           H        PHE  11  -4.494  -1.412  -0.643
   88    HA   PHE  11           HA       PHE  11  -5.163  -2.525   1.360
   89   1HB   PHE  11          1HB       PHE  11  -2.213  -2.708   1.643
   90   2HB   PHE  11          2HB       PHE  11  -3.428  -3.975   1.621
   91    HD1  PHE  11           HD1      PHE  11  -4.610  -4.501  -0.570
   92    HD2  PHE  11           HD2      PHE  11  -1.057  -2.101  -0.335
   93    HE1  PHE  11           HE1      PHE  11  -4.209  -4.862  -2.990
   94    HE2  PHE  11           HE2      PHE  11  -0.653  -2.460  -2.756
   95    HZ   PHE  11           HZ       PHE  11  -2.229  -3.842  -4.083
   96    H    GLY  12           H        GLY  12  -5.305   0.138   2.203
   97   1HA   GLY  12          1HA       GLY  12  -5.239   1.366   4.215
   98   2HA   GLY  12          2HA       GLY  12  -4.871  -0.158   5.011
   99    H    VAL  13           H        VAL  13  -2.619   0.507   2.599
  100    HA   VAL  13           HA       VAL  13  -0.300   0.751   2.856
  101    HB   VAL  13           HB       VAL  13  -1.480   3.006   2.422
  102   1HG1  VAL  13          1HG1      VAL  13  -2.214   3.302   4.786
  103   2HG1  VAL  13          2HG1      VAL  13  -0.526   3.469   5.261
  104   3HG1  VAL  13          3HG1      VAL  13  -1.260   4.660   4.191
  105   1HG2  VAL  13          1HG2      VAL  13   1.160   2.214   2.661
  106   2HG2  VAL  13          2HG2      VAL  13   0.599   3.721   1.938
  107   3HG2  VAL  13          3HG2      VAL  13   1.088   3.684   3.632
  108    H    SER  14           H        SER  14  -1.505  -0.562   5.152
  109    HA   SER  14           HA       SER  14   0.046   0.534   7.433
  110   1HB   SER  14          1HB       SER  14  -2.395  -0.350   7.583
  111   2HB   SER  14          2HB       SER  14  -1.665  -1.950   7.511
  112    HG   SER  14           HG       SER  14  -0.518  -0.133   9.269
  113    H    TYR  15           H        TYR  15   1.686  -0.386   5.402
  114    HA   TYR  15           HA       TYR  15   2.729  -2.941   6.558
  115   1HB   TYR  15          1HB       TYR  15   2.500  -2.055   3.683
  116   2HB   TYR  15          2HB       TYR  15   3.673  -3.278   4.172
  117    HD1  TYR  15           HD1      TYR  15   0.074  -2.462   3.935
  118    HD2  TYR  15           HD2      TYR  15   2.974  -5.484   4.880
  119    HE1  TYR  15           HE1      TYR  15  -1.714  -4.181   3.917
  120    HE2  TYR  15           HE2      TYR  15   1.188  -7.203   4.861
  121    HH   TYR  15           HH       TYR  15  -0.968  -7.605   4.159
  122    H    ASP  16           H        ASP  16   3.639  -0.652   7.680
  123    HA   ASP  16           HA       ASP  16   5.481   0.815   7.914
  124   1HB   ASP  16          1HB       ASP  16   6.343  -1.264   8.824
  125   2HB   ASP  16          2HB       ASP  16   6.747  -1.844   7.208
  126    H    GLU  17           H        GLU  17   4.445   1.434   5.527
  127    HA   GLU  17           HA       GLU  17   4.898   2.213   3.365
  128   1HB   GLU  17          1HB       GLU  17   7.038   2.998   5.155
  129   2HB   GLU  17          2HB       GLU  17   7.642   2.794   3.510
  130   1HG   GLU  17          1HG       GLU  17   6.199   4.416   2.635
  131   2HG   GLU  17          2HG       GLU  17   5.072   4.278   3.984
  132    H    TYR  18           H        TYR  18   4.774  -0.372   3.093
  133    HA   TYR  18           HA       TYR  18   5.549  -2.180   1.804
  134   1HB   TYR  18          1HB       TYR  18   6.208   0.031   0.388
  135   2HB   TYR  18          2HB       TYR  18   7.820  -0.591   0.723
  136    HD1  TYR  18           HD1      TYR  18   4.451  -1.822  -0.382
  137    HD2  TYR  18           HD2      TYR  18   8.718  -2.166  -0.741
  138    HE1  TYR  18           HE1      TYR  18   4.165  -3.520  -2.169
  139    HE2  TYR  18           HE2      TYR  18   8.432  -3.861  -2.528
  140    HH   TYR  18           HH       TYR  18   5.257  -5.146  -3.350
  141    H    ARG  19           H        ARG  19   6.548  -1.622   4.485
  142    HA   ARG  19           HA       ARG  19   8.341  -2.111   5.928
  143   1HB   ARG  19          1HB       ARG  19   7.410  -4.328   5.316
  144   2HB   ARG  19          2HB       ARG  19   8.524  -4.398   3.955
  145   1HG   ARG  19          1HG       ARG  19  10.442  -4.400   5.441
  146   2HG   ARG  19          2HG       ARG  19   9.411  -4.088   6.836
  147   1HD   ARG  19          1HD       ARG  19   8.788  -6.264   7.011
  148   2HD   ARG  19          2HD       ARG  19   8.648  -6.463   5.264
  149    HE   ARG  19           HE       ARG  19  11.167  -6.690   5.246
  150   1HH1  ARG  19          1HH2      ARG  19  10.029  -9.127   6.492
  151   2HH1  ARG  19          2HH2      ARG  19  10.910  -9.245   7.979
  152   1HH2  ARG  19          1HH1      ARG  19  12.033  -5.962   7.876
  153   2HH2  ARG  19          2HH1      ARG  19  12.053  -7.451   8.760
  154    H    TYR  20           H        TYR  20   9.182  -0.150   4.230
  155    HA   TYR  20           HA       TYR  20  11.949  -0.203   4.288
  156   1HB   TYR  20          1HB       TYR  20  10.965  -2.009   2.268
  157   2HB   TYR  20          2HB       TYR  20  11.891  -0.713   1.519
  158    HD1  TYR  20           HD1      TYR  20  13.847  -0.069   3.656
  159    HD2  TYR  20           HD2      TYR  20  12.423  -3.865   2.235
  160    HE1  TYR  20           HE1      TYR  20  15.951  -1.143   4.413
  161    HE2  TYR  20           HE2      TYR  20  14.527  -4.938   2.992
  162    HH   TYR  20           HH       TYR  20  16.365  -4.641   4.316
  163    H    ARG  21           H        ARG  21   9.083   1.027   2.919
  164    HA   ARG  21           HA       ARG  21   8.592   3.092   1.939
  165   1HB   ARG  21          1HB       ARG  21   9.807   4.005   3.836
  166   2HB   ARG  21          2HB       ARG  21  11.342   3.684   3.033
  167   1HG   ARG  21          1HG       ARG  21  11.015   5.386   1.452
  168   2HG   ARG  21          2HG       ARG  21   9.269   5.385   1.675
  169   1HD   ARG  21          1HD       ARG  21   9.436   6.509   3.767
  170   2HD   ARG  21          2HD       ARG  21  11.173   6.219   3.868
  171    HE   ARG  21           HE       ARG  21   9.976   8.032   1.807
  172   1HH1  ARG  21          1HH2      ARG  21  10.780   9.455   4.237
  173   2HH1  ARG  21          2HH2      ARG  21  12.440   9.852   3.938
  174   1HH2  ARG  21          1HH1      ARG  21  12.805   7.561   1.366
  175   2HH2  ARG  21          2HH1      ARG  21  13.583   8.785   2.313
  176    H    SER  22           H        SER  22   9.497   1.073   0.232
  177    HA   SER  22           HA       SER  22  11.066   2.666  -1.745
  178   1HB   SER  22          1HB       SER  22  11.719   0.123  -0.580
  179   2HB   SER  22          2HB       SER  22  11.356  -0.119  -2.287
  180    HG   SER  22           HG       SER  22  13.287   0.645  -2.593
  181    H    VAL  23           H        VAL  23   8.329   2.842  -1.666
  182    HA   VAL  23           HA       VAL  23   6.748   0.966  -2.954
  183    HB   VAL  23           HB       VAL  23   5.824   3.054  -2.137
  184   1HG1  VAL  23          1HG1      VAL  23   8.031   4.162  -3.591
  185   2HG1  VAL  23          2HG1      VAL  23   6.543   4.886  -4.197
  186   3HG1  VAL  23          3HG1      VAL  23   6.932   4.979  -2.479
  187   1HG2  VAL  23          1HG2      VAL  23   4.847   1.848  -4.200
  188   2HG2  VAL  23          2HG2      VAL  23   4.311   3.500  -3.894
  189   3HG2  VAL  23          3HG2      VAL  23   5.524   3.182  -5.134
  190    H    ILE  24           H        ILE  24   9.373   2.836  -4.283
  191    HA   ILE  24           HA       ILE  24   8.602   2.161  -7.037
  192    HB   ILE  24           HB       ILE  24  10.196   4.194  -5.802
  193   1HG1  ILE  24          1HG1      ILE  24  10.294   4.636  -8.522
  194   2HG1  ILE  24          2HG1      ILE  24   8.878   3.597  -8.354
  195   1HG2  ILE  24          1HG2      ILE  24  12.088   2.549  -6.340
  196   2HG2  ILE  24          2HG2      ILE  24  11.714   2.842  -8.039
  197   3HG2  ILE  24          3HG2      ILE  24  12.247   4.173  -7.011
  198   1HD1  ILE  24          1HD1      ILE  24   9.195   5.838  -6.404
  199   2HD1  ILE  24          2HD1      ILE  24   8.701   6.242  -8.048
  200   3HD1  ILE  24          3HD1      ILE  24   7.724   5.138  -7.080
  201    H    LYS  25           H        LYS  25   9.515   0.256  -4.830
  202    HA   LYS  25           HA       LYS  25  10.791  -1.692  -4.677
  203   1HB   LYS  25          1HB       LYS  25  10.748  -1.505  -7.701
  204   2HB   LYS  25          2HB       LYS  25  10.904  -2.955  -6.716
  205   1HG   LYS  25          1HG       LYS  25   8.663  -3.153  -6.795
  206   2HG   LYS  25          2HG       LYS  25   8.577  -1.712  -5.781
  207   1HD   LYS  25          1HD       LYS  25   7.511  -0.714  -7.502
  208   2HD   LYS  25          2HD       LYS  25   9.068  -0.704  -8.332
  209   1HE   LYS  25          1HE       LYS  25   8.165  -2.072  -9.897
  210   2HE   LYS  25          2HE       LYS  25   8.015  -3.325  -8.647
  211   1HZ   LYS  25          1HZ       LYS  25   6.077  -1.100  -8.980
  212   2HZ   LYS  25          2HZ       LYS  25   5.860  -2.632  -9.679
  213   3HZ   LYS  25          3HZ       LYS  25   5.915  -2.471  -7.989
  214    H    ALA  26           H        ALA  26  12.575  -1.571  -7.560
  215    HA   ALA  26           HA       ALA  26  15.065  -1.302  -6.218
  216   1HB   ALA  26          1HB       ALA  26  14.216  -1.103  -9.099
  217   2HB   ALA  26          2HB       ALA  26  15.879  -0.742  -8.637
  218   3HB   ALA  26          3HB       ALA  26  15.203  -2.339  -8.319
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -13.133  -2.533  -3.151
    2   2H    MET   1          2H        MET   1 -12.326  -3.640  -2.146
    3   3H    MET   1          3H        MET   1 -13.905  -3.971  -2.674
    4    HA   MET   1           HA       MET   1 -14.867  -2.631  -1.137
    5   1HB   MET   1          1HB       MET   1 -12.135  -3.499  -0.221
    6   2HB   MET   1          2HB       MET   1 -13.176  -2.592   0.879
    7   1HG   MET   1          1HG       MET   1 -13.741  -4.832   1.336
    8   2HG   MET   1          2HG       MET   1 -15.004  -4.317   0.218
    9   1HE   MET   1          1HE       MET   1 -15.748  -5.400  -1.408
   10   2HE   MET   1          2HE       MET   1 -15.077  -6.746  -2.341
   11   3HE   MET   1          3HE       MET   1 -15.552  -6.985  -0.662
   12    HA   PRO   2           HA       PRO   2 -13.789   1.618  -1.218
   13   1HB   PRO   2          1HB       PRO   2 -14.518   2.481   1.275
   14   2HB   PRO   2          2HB       PRO   2 -15.697   2.039   0.024
   15   1HG   PRO   2          1HG       PRO   2 -14.757   0.478   2.373
   16   2HG   PRO   2          2HG       PRO   2 -16.375   0.586   1.661
   17   1HD   PRO   2          1HD       PRO   2 -14.671  -1.516   1.259
   18   2HD   PRO   2          2HD       PRO   2 -15.939  -1.035   0.112
   19    H    GLY   3           H        GLY   3 -12.438   3.341  -0.029
   20   1HA   GLY   3          1HA       GLY   3 -10.665   2.811   2.088
   21   2HA   GLY   3          2HA       GLY   3  -9.848   2.265   0.622
   22    H    THR   4           H        THR   4  -8.342   4.104   1.321
   23    HA   THR   4           HA       THR   4  -9.352   6.822   0.848
   24    HB   THR   4           HB       THR   4  -7.523   6.210   2.530
   25    HG1  THR   4           HG1      THR   4  -7.872   8.340   1.833
   26   1HG2  THR   4          1HG2      THR   4  -6.385   5.037   0.254
   27   2HG2  THR   4          2HG2      THR   4  -5.408   6.474   0.557
   28   3HG2  THR   4          3HG2      THR   4  -5.607   5.259   1.821
   29    H    ILE   5           H        ILE   5  -9.805   5.310  -1.401
   30    HA   ILE   5           HA       ILE   5  -9.118   4.875  -3.638
   31    HB   ILE   5           HB       ILE   5  -9.261   7.821  -3.117
   32   1HG1  ILE   5          1HG1      ILE   5 -11.270   6.749  -4.856
   33   2HG1  ILE   5          2HG1      ILE   5 -11.148   5.716  -3.432
   34   1HG2  ILE   5          1HG2      ILE   5  -8.332   6.386  -5.490
   35   2HG2  ILE   5          2HG2      ILE   5  -9.727   7.407  -5.836
   36   3HG2  ILE   5          3HG2      ILE   5  -8.268   8.114  -5.140
   37   1HD1  ILE   5          1HD1      ILE   5 -11.018   8.559  -2.761
   38   2HD1  ILE   5          2HD1      ILE   5 -12.524   8.126  -3.569
   39   3HD1  ILE   5          3HD1      ILE   5 -12.049   7.297  -2.088
   40    H    LYS   6           H        LYS   6  -6.969   4.062  -2.754
   41    HA   LYS   6           HA       LYS   6  -4.836   4.676  -4.412
   42   1HB   LYS   6          1HB       LYS   6  -5.174   6.861  -2.715
   43   2HB   LYS   6          2HB       LYS   6  -3.897   5.939  -1.938
   44   1HG   LYS   6          1HG       LYS   6  -3.076   7.620  -3.629
   45   2HG   LYS   6          2HG       LYS   6  -2.549   5.966  -3.932
   46   1HD   LYS   6          1HD       LYS   6  -3.629   5.897  -5.912
   47   2HD   LYS   6          2HD       LYS   6  -5.113   6.529  -5.200
   48   1HE   LYS   6          1HE       LYS   6  -2.876   8.474  -5.522
   49   2HE   LYS   6          2HE       LYS   6  -3.698   7.946  -7.004
   50   1HZ   LYS   6          1HZ       LYS   6  -5.826   8.413  -5.937
   51   2HZ   LYS   6          2HZ       LYS   6  -5.023   8.964  -4.545
   52   3HZ   LYS   6          3HZ       LYS   6  -4.869   9.812  -6.010
   53    H    GLU   7           H        GLU   7  -5.683   2.316  -3.340
   54    HA   GLU   7           HA       GLU   7  -3.270   1.383  -2.000
   55   1HB   GLU   7          1HB       GLU   7  -4.961   2.411  -0.230
   56   2HB   GLU   7          2HB       GLU   7  -5.744   0.840  -0.412
   57   1HG   GLU   7          1HG       GLU   7  -4.039  -0.273   0.613
   58   2HG   GLU   7          2HG       GLU   7  -2.802   0.750  -0.120
   59    H    ASN   8           H        ASN   8  -3.985   0.449  -4.344
   60    HA   ASN   8           HA       ASN   8  -5.553  -2.047  -3.846
   61   1HB   ASN   8          1HB       ASN   8  -5.914  -0.212  -5.840
   62   2HB   ASN   8          2HB       ASN   8  -4.820  -1.352  -6.627
   63   1HD2  ASN   8          2HD2      ASN   8  -8.101  -0.831  -5.722
   64   2HD2  ASN   8          1HD2      ASN   8  -8.676  -2.392  -6.061
   65    H    ILE   9           H        ILE   9  -2.901  -1.844  -2.922
   66    HA   ILE   9           HA       ILE   9  -1.134  -3.129  -4.882
   67    HB   ILE   9           HB       ILE   9  -0.464  -2.950  -1.983
   68   1HG1  ILE   9          1HG1      ILE   9  -1.519  -0.816  -2.237
   69   2HG1  ILE   9          2HG1      ILE   9   0.205  -0.525  -2.417
   70   1HG2  ILE   9          1HG2      ILE   9   0.884  -3.116  -4.568
   71   2HG2  ILE   9          2HG2      ILE   9   1.546  -1.837  -3.550
   72   3HG2  ILE   9          3HG2      ILE   9   1.496  -3.497  -2.958
   73   1HD1  ILE   9          1HD1      ILE   9  -0.674  -1.164  -4.997
   74   2HD1  ILE   9          2HD1      ILE   9  -1.927  -0.110  -4.340
   75   3HD1  ILE   9          3HD1      ILE   9  -0.252   0.440  -4.399
   76    H    ILE  10           H        ILE  10  -0.097  -5.196  -4.421
   77    HA   ILE  10           HA       ILE  10  -1.977  -7.113  -3.209
   78    HB   ILE  10           HB       ILE  10   0.578  -7.505  -4.781
   79   1HG1  ILE  10          1HG1      ILE  10  -1.265  -8.523  -6.338
   80   2HG1  ILE  10          2HG1      ILE  10  -2.353  -7.508  -5.403
   81   1HG2  ILE  10          1HG2      ILE  10  -1.020  -9.325  -3.137
   82   2HG2  ILE  10          2HG2      ILE  10  -0.876  -9.876  -4.805
   83   3HG2  ILE  10          3HG2      ILE  10   0.574  -9.569  -3.849
   84   1HD1  ILE  10          1HD1      ILE  10   0.154  -6.256  -6.411
   85   2HD1  ILE  10          2HD1      ILE  10  -1.115  -6.593  -7.590
   86   3HD1  ILE  10          3HD1      ILE  10  -1.451  -5.554  -6.205
   87    H    PHE  11           H        PHE  11  -0.064  -5.163  -1.890
   88    HA   PHE  11           HA       PHE  11   0.991  -7.077   0.110
   89   1HB   PHE  11          1HB       PHE  11   2.701  -5.952  -1.618
   90   2HB   PHE  11          2HB       PHE  11   2.579  -4.615  -0.477
   91    HD1  PHE  11           HD1      PHE  11   2.962  -8.354  -0.433
   92    HD2  PHE  11           HD2      PHE  11   4.061  -4.585   1.306
   93    HE1  PHE  11           HE1      PHE  11   4.523  -9.518   1.101
   94    HE2  PHE  11           HE2      PHE  11   5.623  -5.745   2.839
   95    HZ   PHE  11           HZ       PHE  11   5.855  -8.213   2.738
   96    H    GLY  12           H        GLY  12  -1.309  -5.173  -0.217
   97   1HA   GLY  12          1HA       GLY  12  -0.765  -3.292   2.030
   98   2HA   GLY  12          2HA       GLY  12  -2.124  -3.184   0.923
   99    H    VAL  13           H        VAL  13  -0.876  -5.853   2.853
  100    HA   VAL  13           HA       VAL  13  -3.564  -6.674   3.640
  101    HB   VAL  13           HB       VAL  13  -1.740  -8.295   3.205
  102   1HG1  VAL  13          1HG1      VAL  13  -0.477  -6.627   5.334
  103   2HG1  VAL  13          2HG1      VAL  13  -0.130  -8.355   5.352
  104   3HG1  VAL  13          3HG1      VAL  13   0.254  -7.393   3.926
  105   1HG2  VAL  13          1HG2      VAL  13  -3.662  -8.491   5.056
  106   2HG2  VAL  13          2HG2      VAL  13  -2.438  -9.747   4.865
  107   3HG2  VAL  13          3HG2      VAL  13  -2.269  -8.538   6.138
  108    H    SER  14           H        SER  14  -3.087  -4.075   4.559
  109    HA   SER  14           HA       SER  14  -3.346  -2.786   6.483
  110   1HB   SER  14          1HB       SER  14  -4.990  -4.145   7.376
  111   2HB   SER  14          2HB       SER  14  -3.946  -5.555   7.445
  112    HG   SER  14           HG       SER  14  -3.475  -3.239   8.999
  113    H    TYR  15           H        TYR  15  -0.995  -2.394   6.013
  114    HA   TYR  15           HA       TYR  15   0.636  -3.257   8.355
  115   1HB   TYR  15          1HB       TYR  15   1.085  -4.125   5.744
  116   2HB   TYR  15          2HB       TYR  15   2.218  -2.789   5.943
  117    HD1  TYR  15           HD1      TYR  15   0.899  -5.276   8.412
  118    HD2  TYR  15           HD2      TYR  15   4.330  -3.722   6.348
  119    HE1  TYR  15           HE1      TYR  15   2.378  -6.727   9.777
  120    HE2  TYR  15           HE2      TYR  15   5.810  -5.173   7.711
  121    HH   TYR  15           HH       TYR  15   4.983  -6.530  10.500
  122    H    ASP  16           H        ASP  16  -0.702  -0.919   8.446
  123    HA   ASP  16           HA       ASP  16  -0.507   1.424   8.465
  124   1HB   ASP  16          1HB       ASP  16   0.961   0.928  10.294
  125   2HB   ASP  16          2HB       ASP  16   2.260   0.456   9.199
  126    H    GLU  17           H        GLU  17  -0.705   0.946   5.940
  127    HA   GLU  17           HA       GLU  17  -0.008   1.493   3.759
  128   1HB   GLU  17          1HB       GLU  17   0.614   3.744   5.561
  129   2HB   GLU  17          2HB       GLU  17   1.497   3.765   4.033
  130   1HG   GLU  17          1HG       GLU  17  -0.475   3.835   2.751
  131   2HG   GLU  17          2HG       GLU  17  -1.470   3.249   4.085
  132    H    TYR  18           H        TYR  18   1.487  -0.516   4.249
  133    HA   TYR  18           HA       TYR  18   3.606  -1.530   4.121
  134   1HB   TYR  18          1HB       TYR  18   4.876   0.388   2.423
  135   2HB   TYR  18          2HB       TYR  18   4.233  -1.188   1.983
  136    HD1  TYR  18           HD1      TYR  18   1.631  -1.309   1.667
  137    HD2  TYR  18           HD2      TYR  18   3.912   2.329   1.547
  138    HE1  TYR  18           HE1      TYR  18  -0.202  -0.203   0.417
  139    HE2  TYR  18           HE2      TYR  18   2.078   3.436   0.297
  140    HH   TYR  18           HH       TYR  18  -0.945   2.414   0.179
  141    H    ARG  19           H        ARG  19   3.524  -0.143   6.434
  142    HA   ARG  19           HA       ARG  19   4.741   1.208   7.941
  143   1HB   ARG  19          1HB       ARG  19   6.026  -0.899   7.818
  144   2HB   ARG  19          2HB       ARG  19   6.940  -0.254   6.459
  145   1HG   ARG  19          1HG       ARG  19   7.987   1.404   7.818
  146   2HG   ARG  19          2HG       ARG  19   6.837   1.158   9.130
  147   1HD   ARG  19          1HD       ARG  19   7.954  -0.659   9.932
  148   2HD   ARG  19          2HD       ARG  19   8.341  -1.254   8.318
  149    HE   ARG  19           HE       ARG  19   9.818   1.147   9.175
  150   1HH1  ARG  19          1HH1      ARG  19  10.070  -1.660   7.472
  151   2HH1  ARG  19          2HH1      ARG  19  11.597  -2.159   8.119
  152   1HH2  ARG  19          1HH2      ARG  19  11.622   0.245  10.616
  153   2HH2  ARG  19          2HH2      ARG  19  12.476  -1.080   9.900
  154    H    TYR  20           H        TYR  20   4.004   2.658   5.650
  155    HA   TYR  20           HA       TYR  20   4.558   4.619   4.486
  156   1HB   TYR  20          1HB       TYR  20   5.169   5.314   6.835
  157   2HB   TYR  20          2HB       TYR  20   6.823   4.803   6.495
  158    HD1  TYR  20           HD1      TYR  20   4.119   7.114   5.397
  159    HD2  TYR  20           HD2      TYR  20   8.303   6.166   5.243
  160    HE1  TYR  20           HE1      TYR  20   4.573   9.295   4.304
  161    HE2  TYR  20           HE2      TYR  20   8.759   8.346   4.151
  162    HH   TYR  20           HH       TYR  20   6.106  10.581   3.334
  163    H    ARG  21           H        ARG  21   5.358   2.510   3.100
  164    HA   ARG  21           HA       ARG  21   7.738   3.433   1.734
  165   1HB   ARG  21          1HB       ARG  21   8.527   2.096   3.845
  166   2HB   ARG  21          2HB       ARG  21   8.042   0.683   2.908
  167   1HG   ARG  21          1HG       ARG  21   9.477   1.521   1.023
  168   2HG   ARG  21          2HG       ARG  21  10.059   2.796   2.096
  169   1HD   ARG  21          1HD       ARG  21  11.419   1.377   3.224
  170   2HD   ARG  21          2HD       ARG  21  10.184   0.120   3.298
  171    HE   ARG  21           HE       ARG  21  11.055  -0.804   1.288
  172   1HH1  ARG  21          1HH1      ARG  21  11.597   2.433   0.834
  173   2HH1  ARG  21          2HH1      ARG  21  13.189   2.275   0.170
  174   1HH2  ARG  21          1HH2      ARG  21  13.464  -1.093   0.948
  175   2HH2  ARG  21          2HH2      ARG  21  14.247   0.276   0.232
  176    H    SER  22           H        SER  22   6.304   3.333  -0.053
  177    HA   SER  22           HA       SER  22   5.113   0.747  -0.783
  178   1HB   SER  22          1HB       SER  22   4.480   3.448  -1.314
  179   2HB   SER  22          2HB       SER  22   4.989   2.767  -2.858
  180    HG   SER  22           HG       SER  22   3.538   0.918  -1.977
  181    H    VAL  23           H        VAL  23   7.650   0.239  -0.657
  182    HA   VAL  23           HA       VAL  23   9.575   0.869  -2.464
  183    HB   VAL  23           HB       VAL  23   9.760  -0.952  -0.792
  184   1HG1  VAL  23          1HG1      VAL  23   7.445  -1.891  -1.845
  185   2HG1  VAL  23          2HG1      VAL  23   8.601  -2.927  -2.683
  186   3HG1  VAL  23          3HG1      VAL  23   8.560  -2.899  -0.920
  187   1HG2  VAL  23          1HG2      VAL  23  10.394  -1.752  -3.648
  188   2HG2  VAL  23          2HG2      VAL  23  11.423  -0.786  -2.589
  189   3HG2  VAL  23          3HG2      VAL  23  11.109  -2.480  -2.209
  190    H    ILE  24           H        ILE  24   6.549  -0.748  -3.255
  191    HA   ILE  24           HA       ILE  24   7.503  -1.339  -5.963
  192    HB   ILE  24           HB       ILE  24   5.621  -2.517  -4.300
  193   1HG1  ILE  24          1HG1      ILE  24   5.035  -3.749  -6.541
  194   2HG1  ILE  24          2HG1      ILE  24   6.326  -2.747  -7.208
  195   1HG2  ILE  24          1HG2      ILE  24   4.088  -0.576  -5.122
  196   2HG2  ILE  24          2HG2      ILE  24   4.047  -1.465  -6.644
  197   3HG2  ILE  24          3HG2      ILE  24   3.457  -2.223  -5.165
  198   1HD1  ILE  24          1HD1      ILE  24   6.760  -4.289  -4.658
  199   2HD1  ILE  24          2HD1      ILE  24   6.950  -5.081  -6.223
  200   3HD1  ILE  24          3HD1      ILE  24   7.958  -3.695  -5.808
  201    H    LYS  25           H        LYS  25   7.090   1.443  -4.812
  202    HA   LYS  25           HA       LYS  25   6.150   3.502  -5.516
  203   1HB   LYS  25          1HB       LYS  25   7.749   2.458  -7.435
  204   2HB   LYS  25          2HB       LYS  25   6.236   2.560  -8.337
  205   1HG   LYS  25          1HG       LYS  25   6.158   4.870  -8.212
  206   2HG   LYS  25          2HG       LYS  25   7.072   4.926  -6.705
  207   1HD   LYS  25          1HD       LYS  25   9.103   4.185  -7.980
  208   2HD   LYS  25          2HD       LYS  25   8.168   4.329  -9.467
  209   1HE   LYS  25          1HE       LYS  25   8.498   6.569  -9.519
  210   2HE   LYS  25          2HE       LYS  25   7.911   6.738  -7.852
  211   1HZ   LYS  25          1HZ       LYS  25  10.537   5.508  -8.330
  212   2HZ   LYS  25          2HZ       LYS  25  10.405   7.201  -8.405
  213   3HZ   LYS  25          3HZ       LYS  25   9.987   6.381  -6.981
  214    H    ALA  26           H        ALA  26   4.676   3.696  -8.144
  215    HA   ALA  26           HA       ALA  26   2.379   2.047  -8.188
  216   1HB   ALA  26          1HB       ALA  26   2.368   4.135  -6.110
  217   2HB   ALA  26          2HB       ALA  26   0.952   4.161  -7.161
  218   3HB   ALA  26          3HB       ALA  26   1.358   2.697  -6.265
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -25.424   4.325   0.334
    2   2H    MET   1          2H        MET   1 -24.130   4.662   1.382
    3   3H    MET   1          3H        MET   1 -24.414   5.654   0.032
    4    HA   MET   1           HA       MET   1 -23.614   4.093  -1.469
    5   1HB   MET   1          1HB       MET   1 -22.191   4.870   0.844
    6   2HB   MET   1          2HB       MET   1 -21.756   3.185   0.556
    7   1HG   MET   1          1HG       MET   1 -21.733   4.318  -1.988
    8   2HG   MET   1          2HG       MET   1 -21.029   5.570  -0.964
    9   1HE   MET   1          1HE       MET   1 -19.642   4.340  -3.242
   10   2HE   MET   1          2HE       MET   1 -18.430   3.087  -2.945
   11   3HE   MET   1          3HE       MET   1 -20.126   2.649  -3.134
   12    HA   PRO   2           HA       PRO   2 -25.223   0.043  -0.635
   13   1HB   PRO   2          1HB       PRO   2 -24.583  -1.059  -3.050
   14   2HB   PRO   2          2HB       PRO   2 -25.938   0.063  -2.830
   15   1HG   PRO   2          1HG       PRO   2 -23.269   0.536  -4.012
   16   2HG   PRO   2          2HG       PRO   2 -24.825   1.282  -4.395
   17   1HD   PRO   2          1HD       PRO   2 -22.801   2.431  -2.864
   18   2HD   PRO   2          2HD       PRO   2 -24.494   2.966  -2.920
   19    H    GLY   3           H        GLY   3 -22.645   0.543   0.514
   20   1HA   GLY   3          1HA       GLY   3 -21.590  -1.920   1.043
   21   2HA   GLY   3          2HA       GLY   3 -20.797  -1.513  -0.476
   22    H    THR   4           H        THR   4 -19.522  -1.858   2.079
   23    HA   THR   4           HA       THR   4 -18.419   0.887   2.468
   24    HB   THR   4           HB       THR   4 -19.837  -0.042   4.363
   25    HG1  THR   4           HG1      THR   4 -17.763   1.392   4.400
   26   1HG2  THR   4          1HG2      THR   4 -18.277  -2.317   3.920
   27   2HG2  THR   4          2HG2      THR   4 -17.675  -1.655   5.440
   28   3HG2  THR   4          3HG2      THR   4 -19.386  -2.050   5.265
   29    H    ILE   5           H        ILE   5 -17.047  -0.227   0.610
   30    HA   ILE   5           HA       ILE   5 -14.720  -1.508   1.949
   31    HB   ILE   5           HB       ILE   5 -15.989  -2.271  -0.682
   32   1HG1  ILE   5          1HG1      ILE   5 -15.068  -4.259   1.308
   33   2HG1  ILE   5          2HG1      ILE   5 -16.396  -3.228   1.846
   34   1HG2  ILE   5          1HG2      ILE   5 -13.197  -2.253   0.130
   35   2HG2  ILE   5          2HG2      ILE   5 -13.758  -3.894  -0.188
   36   3HG2  ILE   5          3HG2      ILE   5 -13.896  -2.656  -1.438
   37   1HD1  ILE   5          1HD1      ILE   5 -17.378  -3.782  -0.539
   38   2HD1  ILE   5          2HD1      ILE   5 -16.313  -5.183  -0.420
   39   3HD1  ILE   5          3HD1      ILE   5 -17.571  -4.926   0.790
   40    H    LYS   6           H        LYS   6 -14.041   0.764   1.984
   41    HA   LYS   6           HA       LYS   6 -12.745   1.527  -0.589
   42   1HB   LYS   6          1HB       LYS   6 -14.503   3.179   1.186
   43   2HB   LYS   6          2HB       LYS   6 -13.162   3.969   0.360
   44   1HG   LYS   6          1HG       LYS   6 -14.957   2.155  -1.212
   45   2HG   LYS   6          2HG       LYS   6 -15.521   3.780  -0.819
   46   1HD   LYS   6          1HD       LYS   6 -12.913   3.116  -2.219
   47   2HD   LYS   6          2HD       LYS   6 -14.364   3.745  -3.001
   48   1HE   LYS   6          1HE       LYS   6 -14.220   5.732  -1.399
   49   2HE   LYS   6          2HE       LYS   6 -12.597   5.148  -0.978
   50   1HZ   LYS   6          1HZ       LYS   6 -12.203   5.021  -3.455
   51   2HZ   LYS   6          2HZ       LYS   6 -13.609   5.956  -3.643
   52   3HZ   LYS   6          3HZ       LYS   6 -12.281   6.584  -2.796
   53    H    GLU   7           H        GLU   7 -11.209   0.154   1.080
   54    HA   GLU   7           HA       GLU   7  -9.386   2.207   2.144
   55   1HB   GLU   7          1HB       GLU   7 -11.041   1.289   3.977
   56   2HB   GLU   7          2HB       GLU   7  -9.983  -0.121   3.940
   57   1HG   GLU   7          1HG       GLU   7  -8.130   1.080   4.701
   58   2HG   GLU   7          2HG       GLU   7  -8.784   2.625   4.157
   59    H    ASN   8           H        ASN   8  -9.565   0.112   0.035
   60    HA   ASN   8           HA       ASN   8  -8.415  -1.960  -0.531
   61   1HB   ASN   8          1HB       ASN   8  -6.280   0.090  -0.858
   62   2HB   ASN   8          2HB       ASN   8  -6.905  -1.083  -2.005
   63   1HD2  ASN   8          2HD2      ASN   8  -8.185  -0.179  -3.613
   64   2HD2  ASN   8          1HD2      ASN   8  -9.099   1.242  -3.445
   65    H    ILE   9           H        ILE   9  -8.255  -2.471   1.985
   66    HA   ILE   9           HA       ILE   9  -5.895  -2.123   3.454
   67    HB   ILE   9           HB       ILE   9  -7.608  -4.613   3.277
   68   1HG1  ILE   9          1HG1      ILE   9  -8.685  -2.352   3.870
   69   2HG1  ILE   9          2HG1      ILE   9  -8.917  -3.667   5.020
   70   1HG2  ILE   9          1HG2      ILE   9  -5.568  -3.683   5.313
   71   2HG2  ILE   9          2HG2      ILE   9  -6.738  -4.964   5.626
   72   3HG2  ILE   9          3HG2      ILE   9  -5.525  -5.167   4.364
   73   1HD1  ILE   9          1HD1      ILE   9  -6.472  -2.106   5.499
   74   2HD1  ILE   9          2HD1      ILE   9  -7.954  -1.165   5.662
   75   3HD1  ILE   9          3HD1      ILE   9  -7.718  -2.617   6.636
   76    H    ILE  10           H        ILE  10  -6.076  -5.444   2.626
   77    HA   ILE  10           HA       ILE  10  -4.441  -6.861   1.733
   78    HB   ILE  10           HB       ILE  10  -4.343  -4.486  -0.132
   79   1HG1  ILE  10          1HG1      ILE  10  -5.462  -6.268  -1.623
   80   2HG1  ILE  10          2HG1      ILE  10  -5.680  -7.192  -0.134
   81   1HG2  ILE  10          1HG2      ILE  10  -2.965  -7.179  -0.349
   82   2HG2  ILE  10          2HG2      ILE  10  -3.152  -6.058  -1.698
   83   3HG2  ILE  10          3HG2      ILE  10  -2.188  -5.597  -0.295
   84   1HD1  ILE  10          1HD1      ILE  10  -6.480  -4.330  -0.035
   85   2HD1  ILE  10          2HD1      ILE  10  -7.497  -5.395  -1.007
   86   3HD1  ILE  10          3HD1      ILE  10  -7.242  -5.738   0.704
   87    H    PHE  11           H        PHE  11  -1.974  -6.930   1.261
   88    HA   PHE  11           HA       PHE  11  -0.651  -5.327   3.342
   89   1HB   PHE  11          1HB       PHE  11  -0.189  -7.865   2.018
   90   2HB   PHE  11          2HB       PHE  11   1.269  -6.873   1.991
   91    HD1  PHE  11           HD1      PHE  11  -1.522  -7.197   4.472
   92    HD2  PHE  11           HD2      PHE  11   2.690  -7.554   3.714
   93    HE1  PHE  11           HE1      PHE  11  -1.136  -7.702   6.866
   94    HE2  PHE  11           HE2      PHE  11   3.080  -8.058   6.111
   95    HZ   PHE  11           HZ       PHE  11   1.166  -8.133   7.688
   96    H    GLY  12           H        GLY  12  -1.480  -3.625   1.335
   97   1HA   GLY  12          1HA       GLY  12   1.135  -2.718   0.291
   98   2HA   GLY  12          2HA       GLY  12  -0.082  -3.101  -0.919
   99    H    VAL  13           H        VAL  13  -1.453  -1.880   1.948
  100    HA   VAL  13           HA       VAL  13  -2.008   0.641   0.543
  101    HB   VAL  13           HB       VAL  13  -3.864  -0.719   1.540
  102   1HG1  VAL  13          1HG1      VAL  13  -2.179  -1.055   3.646
  103   2HG1  VAL  13          2HG1      VAL  13  -3.177   0.266   4.253
  104   3HG1  VAL  13          3HG1      VAL  13  -3.928  -1.253   3.763
  105   1HG2  VAL  13          1HG2      VAL  13  -3.339   2.094   1.803
  106   2HG2  VAL  13          2HG2      VAL  13  -4.884   1.280   1.544
  107   3HG2  VAL  13          3HG2      VAL  13  -4.292   1.547   3.183
  108    H    SER  14           H        SER  14   0.470  -0.213   2.176
  109    HA   SER  14           HA       SER  14   1.294   2.362   2.992
  110   1HB   SER  14          1HB       SER  14  -0.580   1.709   4.718
  111   2HB   SER  14          2HB       SER  14   0.689   0.724   5.429
  112    HG   SER  14           HG       SER  14   0.895   2.684   6.382
  113    H    TYR  15           H        TYR  15   2.236  -0.352   1.930
  114    HA   TYR  15           HA       TYR  15   4.889  -0.207   2.965
  115   1HB   TYR  15          1HB       TYR  15   4.398  -2.848   3.734
  116   2HB   TYR  15          2HB       TYR  15   4.696  -1.482   4.800
  117    HD1  TYR  15           HD1      TYR  15   1.792  -2.597   2.696
  118    HD2  TYR  15           HD2      TYR  15   3.197  -1.380   6.568
  119    HE1  TYR  15           HE1      TYR  15  -0.518  -2.760   3.587
  120    HE2  TYR  15           HE2      TYR  15   0.889  -1.541   7.459
  121    HH   TYR  15           HH       TYR  15  -1.798  -2.669   5.409
  122    H    ASP  16           H        ASP  16   3.374  -0.379   0.488
  123    HA   ASP  16           HA       ASP  16   5.129  -2.208  -0.911
  124   1HB   ASP  16          1HB       ASP  16   3.135  -3.620   0.015
  125   2HB   ASP  16          2HB       ASP  16   2.201  -2.818  -1.247
  126    H    GLU  17           H        GLU  17   4.154   0.597  -0.797
  127    HA   GLU  17           HA       GLU  17   3.729   0.891  -3.720
  128   1HB   GLU  17          1HB       GLU  17   1.552   1.160  -2.328
  129   2HB   GLU  17          2HB       GLU  17   2.271   2.667  -1.760
  130   1HG   GLU  17          1HG       GLU  17   2.036   3.702  -3.783
  131   2HG   GLU  17          2HG       GLU  17   2.364   2.226  -4.691
  132    H    TYR  18           H        TYR  18   5.703   1.423  -1.241
  133    HA   TYR  18           HA       TYR  18   6.336   4.251  -1.752
  134   1HB   TYR  18          1HB       TYR  18   6.947   2.265   0.285
  135   2HB   TYR  18          2HB       TYR  18   8.417   3.058  -0.281
  136    HD1  TYR  18           HD1      TYR  18   8.745   5.460  -0.013
  137    HD2  TYR  18           HD2      TYR  18   5.175   3.527   1.385
  138    HE1  TYR  18           HE1      TYR  18   8.174   7.478   1.314
  139    HE2  TYR  18           HE2      TYR  18   4.601   5.544   2.713
  140    HH   TYR  18           HH       TYR  18   6.251   8.536   2.306
  141    H    ARG  19           H        ARG  19   6.645   1.764  -3.679
  142    HA   ARG  19           HA       ARG  19   8.228   1.038  -5.256
  143   1HB   ARG  19          1HB       ARG  19   7.937   3.336  -6.043
  144   2HB   ARG  19          2HB       ARG  19   9.075   3.913  -4.830
  145   1HG   ARG  19          1HG       ARG  19  10.918   2.946  -5.920
  146   2HG   ARG  19          2HG       ARG  19   9.909   1.818  -6.823
  147   1HD   ARG  19          1HD       ARG  19   9.083   3.559  -8.247
  148   2HD   ARG  19          2HD       ARG  19   9.779   4.814  -7.222
  149    HE   ARG  19           HE       ARG  19  11.595   2.881  -8.578
  150   1HH1  ARG  19          1HH1      ARG  19  11.506   5.822  -7.082
  151   2HH1  ARG  19          2HH1      ARG  19  12.282   6.717  -8.346
  152   1HH2  ARG  19          1HH2      ARG  19  12.106   4.128 -10.649
  153   2HH2  ARG  19          2HH2      ARG  19  12.619   5.759 -10.367
  154    H    TYR  20           H        TYR  20   8.685   0.627  -2.457
  155    HA   TYR  20           HA       TYR  20  10.396   0.173  -0.905
  156   1HB   TYR  20          1HB       TYR  20  11.814  -0.723  -3.420
  157   2HB   TYR  20          2HB       TYR  20  11.988  -1.374  -1.790
  158    HD1  TYR  20           HD1      TYR  20   9.478  -0.857  -4.508
  159    HD2  TYR  20           HD2      TYR  20  10.595  -3.109  -1.024
  160    HE1  TYR  20           HE1      TYR  20   7.592  -2.417  -4.911
  161    HE2  TYR  20           HE2      TYR  20   8.712  -4.670  -1.428
  162    HH   TYR  20           HH       TYR  20   6.802  -4.527  -4.361
  163    H    ARG  21           H        ARG  21  10.532   2.773  -1.170
  164    HA   ARG  21           HA       ARG  21  13.211   3.569  -2.143
  165   1HB   ARG  21          1HB       ARG  21  11.064   4.935  -2.520
  166   2HB   ARG  21          2HB       ARG  21  11.168   5.350  -0.809
  167   1HG   ARG  21          1HG       ARG  21  13.251   6.456  -1.089
  168   2HG   ARG  21          2HG       ARG  21  13.505   5.741  -2.681
  169   1HD   ARG  21          1HD       ARG  21  12.567   8.252  -2.340
  170   2HD   ARG  21          2HD       ARG  21  12.145   7.255  -3.732
  171    HE   ARG  21           HE       ARG  21   9.980   6.842  -2.727
  172   1HH1  ARG  21          1HH1      ARG  21  11.001   6.970   0.157
  173   2HH1  ARG  21          2HH1      ARG  21  10.224   8.414   0.715
  174   1HH2  ARG  21          1HH2      ARG  21   9.428   9.535  -2.468
  175   2HH2  ARG  21          2HH2      ARG  21   9.337   9.869  -0.770
  176    H    SER  22           H        SER  22  13.244   1.802   0.064
  177    HA   SER  22           HA       SER  22  15.069   2.939   1.808
  178   1HB   SER  22          1HB       SER  22  12.297   3.749   2.440
  179   2HB   SER  22          2HB       SER  22  13.223   3.138   3.809
  180    HG   SER  22           HG       SER  22  13.826   5.289   2.067
  181    H    VAL  23           H        VAL  23  14.408   0.404   0.704
  182    HA   VAL  23           HA       VAL  23  14.257  -1.186   3.221
  183    HB   VAL  23           HB       VAL  23  12.910  -2.006   0.636
  184   1HG1  VAL  23          1HG1      VAL  23  13.295  -3.180   3.348
  185   2HG1  VAL  23          2HG1      VAL  23  11.718  -3.420   2.595
  186   3HG1  VAL  23          3HG1      VAL  23  13.179  -3.982   1.783
  187   1HG2  VAL  23          1HG2      VAL  23  11.806  -0.006   1.606
  188   2HG2  VAL  23          2HG2      VAL  23  10.785  -1.437   1.752
  189   3HG2  VAL  23          3HG2      VAL  23  11.673  -0.840   3.153
  190    H    ILE  24           H        ILE  24  14.789  -1.586  -0.303
  191    HA   ILE  24           HA       ILE  24  16.918  -3.526   0.263
  192    HB   ILE  24           HB       ILE  24  15.051  -3.385  -1.712
  193   1HG1  ILE  24          1HG1      ILE  24  16.418  -5.105  -2.857
  194   2HG1  ILE  24          2HG1      ILE  24  17.805  -4.634  -1.870
  195   1HG2  ILE  24          1HG2      ILE  24  16.625  -1.388  -2.573
  196   2HG2  ILE  24          2HG2      ILE  24  17.487  -2.744  -3.300
  197   3HG2  ILE  24          3HG2      ILE  24  15.787  -2.474  -3.684
  198   1HD1  ILE  24          1HD1      ILE  24  15.523  -5.040  -0.168
  199   2HD1  ILE  24          2HD1      ILE  24  15.749  -6.461  -1.189
  200   3HD1  ILE  24          3HD1      ILE  24  17.067  -5.893  -0.162
  201    H    LYS  25           H        LYS  25  17.297  -0.744   1.054
  202    HA   LYS  25           HA       LYS  25  19.932  -0.348  -0.171
  203   1HB   LYS  25          1HB       LYS  25  17.883   0.927  -1.429
  204   2HB   LYS  25          2HB       LYS  25  18.308   2.131  -0.213
  205   1HG   LYS  25          1HG       LYS  25  20.468   2.411  -1.047
  206   2HG   LYS  25          2HG       LYS  25  20.489   0.818  -1.805
  207   1HD   LYS  25          1HD       LYS  25  18.819   1.589  -3.461
  208   2HD   LYS  25          2HD       LYS  25  18.830   3.189  -2.716
  209   1HE   LYS  25          1HE       LYS  25  21.389   3.161  -3.141
  210   2HE   LYS  25          2HE       LYS  25  21.043   1.826  -4.258
  211   1HZ   LYS  25          1HZ       LYS  25  19.370   4.243  -4.337
  212   2HZ   LYS  25          2HZ       LYS  25  20.891   4.273  -5.094
  213   3HZ   LYS  25          3HZ       LYS  25  19.725   3.141  -5.579
  214    H    ALA  26           H        ALA  26  21.259   1.065   1.118
  215    HA   ALA  26           HA       ALA  26  20.026   2.107   3.615
  216   1HB   ALA  26          1HB       ALA  26  20.939  -0.198   4.053
  217   2HB   ALA  26          2HB       ALA  26  22.535   0.403   3.600
  218   3HB   ALA  26          3HB       ALA  26  21.711   1.063   5.012
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -27.440  -1.227  -0.714
    2   2H    MET   1          2H        MET   1 -26.364  -2.378  -1.350
    3   3H    MET   1          3H        MET   1 -27.947  -2.831  -0.932
    4    HA   MET   1           HA       MET   1 -27.517  -2.563   1.384
    5   1HB   MET   1          1HB       MET   1 -26.728  -4.568  -0.044
    6   2HB   MET   1          2HB       MET   1 -25.106  -3.904   0.154
    7   1HG   MET   1          1HG       MET   1 -25.340  -5.444   1.942
    8   2HG   MET   1          2HG       MET   1 -25.621  -3.866   2.677
    9   1HE   MET   1          1HE       MET   1 -26.232  -7.061   2.589
   10   2HE   MET   1          2HE       MET   1 -27.758  -7.337   3.427
   11   3HE   MET   1          3HE       MET   1 -27.696  -7.375   1.660
   12    HA   PRO   2           HA       PRO   2 -24.575   0.824   1.827
   13   1HB   PRO   2          1HB       PRO   2 -25.483   1.603   4.287
   14   2HB   PRO   2          2HB       PRO   2 -26.279   2.072   2.770
   15   1HG   PRO   2          1HG       PRO   2 -27.030  -0.030   4.731
   16   2HG   PRO   2          2HG       PRO   2 -28.061   1.046   3.776
   17   1HD   PRO   2          1HD       PRO   2 -27.593  -1.588   3.164
   18   2HD   PRO   2          2HD       PRO   2 -28.066  -0.353   1.975
   19    H    GLY   3           H        GLY   3 -23.401  -1.570   2.127
   20   1HA   GLY   3          1HA       GLY   3 -22.026  -1.329   4.748
   21   2HA   GLY   3          2HA       GLY   3 -22.690  -2.901   4.302
   22    H    THR   4           H        THR   4 -20.139  -3.160   4.629
   23    HA   THR   4           HA       THR   4 -17.994  -3.371   3.660
   24    HB   THR   4           HB       THR   4 -19.273  -5.313   2.877
   25    HG1  THR   4           HG1      THR   4 -17.393  -5.567   1.965
   26   1HG2  THR   4          1HG2      THR   4 -20.026  -3.424   0.643
   27   2HG2  THR   4          2HG2      THR   4 -20.203  -5.174   0.515
   28   3HG2  THR   4          3HG2      THR   4 -21.105  -4.284   1.742
   29    H    ILE   5           H        ILE   5 -18.682  -0.726   3.389
   30    HA   ILE   5           HA       ILE   5 -17.514  -0.090   0.747
   31    HB   ILE   5           HB       ILE   5 -20.069   1.085   1.848
   32   1HG1  ILE   5          1HG1      ILE   5 -19.728   0.249  -0.977
   33   2HG1  ILE   5          2HG1      ILE   5 -19.687  -1.053   0.214
   34   1HG2  ILE   5          1HG2      ILE   5 -18.023   2.149  -0.057
   35   2HG2  ILE   5          2HG2      ILE   5 -19.725   2.419  -0.437
   36   3HG2  ILE   5          3HG2      ILE   5 -19.055   3.018   1.081
   37   1HD1  ILE   5          1HD1      ILE   5 -21.814  -0.184   1.178
   38   2HD1  ILE   5          2HD1      ILE   5 -21.875   1.010  -0.120
   39   3HD1  ILE   5          3HD1      ILE   5 -21.984  -0.710  -0.497
   40    H    LYS   6           H        LYS   6 -15.671   0.255   2.143
   41    HA   LYS   6           HA       LYS   6 -15.611   2.999   3.235
   42   1HB   LYS   6          1HB       LYS   6 -16.174   1.648   5.197
   43   2HB   LYS   6          2HB       LYS   6 -14.847   0.540   4.845
   44   1HG   LYS   6          1HG       LYS   6 -13.981   1.994   6.507
   45   2HG   LYS   6          2HG       LYS   6 -13.317   2.609   4.992
   46   1HD   LYS   6          1HD       LYS   6 -15.332   4.175   4.901
   47   2HD   LYS   6          2HD       LYS   6 -15.653   3.703   6.571
   48   1HE   LYS   6          1HE       LYS   6 -14.162   5.278   7.227
   49   2HE   LYS   6          2HE       LYS   6 -12.886   4.326   6.441
   50   1HZ   LYS   6          1HZ       LYS   6 -13.978   5.382   4.307
   51   2HZ   LYS   6          2HZ       LYS   6 -14.407   6.603   5.408
   52   3HZ   LYS   6          3HZ       LYS   6 -12.774   6.200   5.176
   53    H    GLU   7           H        GLU   7 -14.298   3.152   1.230
   54    HA   GLU   7           HA       GLU   7 -12.224   3.358   0.204
   55   1HB   GLU   7          1HB       GLU   7 -10.984   2.238   2.714
   56   2HB   GLU   7          2HB       GLU   7 -10.310   3.383   1.559
   57   1HG   GLU   7          1HG       GLU   7 -11.749   5.133   2.279
   58   2HG   GLU   7          2HG       GLU   7 -12.762   4.016   3.191
   59    H    ASN   8           H        ASN   8 -12.619   1.707  -1.288
   60    HA   ASN   8           HA       ASN   8 -12.312  -1.089  -0.668
   61   1HB   ASN   8          1HB       ASN   8 -12.884  -1.436  -2.908
   62   2HB   ASN   8          2HB       ASN   8 -13.697   0.071  -2.537
   63   1HD2  ASN   8          2HD2      ASN   8 -12.376   2.117  -3.128
   64   2HD2  ASN   8          1HD2      ASN   8 -11.426   2.046  -4.532
   65    H    ILE   9           H        ILE   9  -9.997   0.133   0.222
   66    HA   ILE   9           HA       ILE   9  -7.793   0.416  -1.417
   67    HB   ILE   9           HB       ILE   9  -8.075  -0.866   1.290
   68   1HG1  ILE   9          1HG1      ILE   9  -6.527   1.264   1.670
   69   2HG1  ILE   9          2HG1      ILE   9  -7.265   1.784   0.153
   70   1HG2  ILE   9          1HG2      ILE   9  -5.771  -0.933  -0.558
   71   2HG2  ILE   9          2HG2      ILE   9  -5.396  -0.326   1.056
   72   3HG2  ILE   9          3HG2      ILE   9  -6.107  -1.929   0.858
   73   1HD1  ILE   9          1HD1      ILE   9  -8.938   0.749   2.443
   74   2HD1  ILE   9          2HD1      ILE   9  -8.472   2.447   2.337
   75   3HD1  ILE   9          3HD1      ILE   9  -9.450   1.721   1.064
   76    H    ILE  10           H        ILE  10  -7.753  -2.604   0.293
   77    HA   ILE  10           HA       ILE  10  -7.266  -4.774  -0.417
   78    HB   ILE  10           HB       ILE  10  -8.771  -3.674  -2.786
   79   1HG1  ILE  10          1HG1      ILE  10 -10.407  -5.450  -1.871
   80   2HG1  ILE  10          2HG1      ILE  10  -9.367  -5.474  -0.443
   81   1HG2  ILE  10          1HG2      ILE  10  -7.211  -6.169  -2.522
   82   2HG2  ILE  10          2HG2      ILE  10  -8.875  -6.402  -3.059
   83   3HG2  ILE  10          3HG2      ILE  10  -7.792  -5.356  -3.976
   84   1HD1  ILE  10          1HD1      ILE  10 -10.175  -2.799  -1.442
   85   2HD1  ILE  10          2HD1      ILE  10 -11.439  -3.769  -0.688
   86   3HD1  ILE  10          3HD1      ILE  10  -9.978  -3.367   0.215
   87    H    PHE  11           H        PHE  11  -5.262  -5.470  -0.978
   88    HA   PHE  11           HA       PHE  11  -3.176  -5.522  -2.000
   89   1HB   PHE  11          1HB       PHE  11  -4.112  -6.004  -4.087
   90   2HB   PHE  11          2HB       PHE  11  -4.987  -4.481  -4.155
   91    HD1  PHE  11           HD1      PHE  11  -1.403  -5.527  -3.754
   92    HD2  PHE  11           HD2      PHE  11  -4.236  -3.026  -5.789
   93    HE1  PHE  11           HE1      PHE  11   0.437  -4.514  -5.067
   94    HE2  PHE  11           HE2      PHE  11  -2.400  -2.009  -7.103
   95    HZ   PHE  11           HZ       PHE  11  -0.059  -2.755  -6.746
   96    H    GLY  12           H        GLY  12  -4.322  -3.140  -0.511
   97   1HA   GLY  12          1HA       GLY  12  -2.910  -0.815  -1.536
   98   2HA   GLY  12          2HA       GLY  12  -3.675  -0.931   0.040
   99    H    VAL  13           H        VAL  13  -2.509  -2.457   1.551
  100    HA   VAL  13           HA       VAL  13  -0.601  -2.514   2.936
  101    HB   VAL  13           HB       VAL  13  -0.734  -4.563   1.423
  102   1HG1  VAL  13          1HG1      VAL  13  -0.010  -3.325  -0.631
  103   2HG1  VAL  13          2HG1      VAL  13   1.596  -3.164   0.079
  104   3HG1  VAL  13          3HG1      VAL  13   0.960  -4.760  -0.307
  105   1HG2  VAL  13          1HG2      VAL  13   0.834  -4.092   3.432
  106   2HG2  VAL  13          2HG2      VAL  13   1.237  -5.427   2.352
  107   3HG2  VAL  13          3HG2      VAL  13   2.089  -3.889   2.210
  108    H    SER  14           H        SER  14  -0.695  -0.021   1.463
  109    HA   SER  14           HA       SER  14   0.720   1.806   1.040
  110   1HB   SER  14          1HB       SER  14   1.801   1.547   3.083
  111   2HB   SER  14          2HB       SER  14   2.420  -0.047   2.670
  112    HG   SER  14           HG       SER  14   4.165   1.092   2.262
  113    H    TYR  15           H        TYR  15   3.126  -0.798   0.723
  114    HA   TYR  15           HA       TYR  15   4.480  -1.358  -1.099
  115   1HB   TYR  15          1HB       TYR  15   2.371  -2.199  -2.032
  116   2HB   TYR  15          2HB       TYR  15   1.963  -0.582  -2.605
  117    HD1  TYR  15           HD1      TYR  15   5.121  -2.611  -2.682
  118    HD2  TYR  15           HD2      TYR  15   2.140  -0.487  -4.932
  119    HE1  TYR  15           HE1      TYR  15   6.394  -3.032  -4.767
  120    HE2  TYR  15           HE2      TYR  15   3.414  -0.909  -7.017
  121    HH   TYR  15           HH       TYR  15   6.502  -1.719  -7.149
  122    H    ASP  16           H        ASP  16   4.311   1.408  -0.076
  123    HA   ASP  16           HA       ASP  16   6.045   2.640  -2.016
  124   1HB   ASP  16          1HB       ASP  16   3.490   2.973  -2.757
  125   2HB   ASP  16          2HB       ASP  16   3.602   4.298  -1.599
  126    H    GLU  17           H        GLU  17   5.803   1.971   0.853
  127    HA   GLU  17           HA       GLU  17   6.599   4.641   1.899
  128   1HB   GLU  17          1HB       GLU  17   4.647   2.732   3.213
  129   2HB   GLU  17          2HB       GLU  17   5.405   4.086   4.053
  130   1HG   GLU  17          1HG       GLU  17   4.493   5.353   1.831
  131   2HG   GLU  17          2HG       GLU  17   3.268   4.095   2.001
  132    H    TYR  18           H        TYR  18   7.528   1.548   1.344
  133    HA   TYR  18           HA       TYR  18   9.570   1.711   3.474
  134   1HB   TYR  18          1HB       TYR  18   7.794   0.274   4.414
  135   2HB   TYR  18          2HB       TYR  18   7.899  -0.767   2.994
  136    HD1  TYR  18           HD1      TYR  18   9.864   0.566   5.870
  137    HD2  TYR  18           HD2      TYR  18   9.557  -2.457   2.835
  138    HE1  TYR  18           HE1      TYR  18  11.737  -0.677   6.919
  139    HE2  TYR  18           HE2      TYR  18  11.429  -3.701   3.884
  140    HH   TYR  18           HH       TYR  18  13.118  -3.551   5.391
  141    H    ARG  19           H        ARG  19   8.413   0.145   0.564
  142    HA   ARG  19           HA       ARG  19  11.225  -0.599  -0.093
  143   1HB   ARG  19          1HB       ARG  19   9.289  -2.335  -0.124
  144   2HB   ARG  19          2HB       ARG  19   8.802  -1.542  -1.623
  145   1HG   ARG  19          1HG       ARG  19  10.686  -2.239  -2.768
  146   2HG   ARG  19          2HG       ARG  19  11.677  -2.301  -1.309
  147   1HD   ARG  19          1HD       ARG  19   9.387  -4.186  -1.399
  148   2HD   ARG  19          2HD       ARG  19  10.702  -4.517  -2.526
  149    HE   ARG  19           HE       ARG  19  11.894  -4.017  -0.018
  150   1HH1  ARG  19          1HH1      ARG  19  10.810  -6.491  -2.002
  151   2HH1  ARG  19          2HH1      ARG  19  10.760  -7.703  -0.764
  152   1HH2  ARG  19          1HH2      ARG  19  11.370  -5.469   1.816
  153   2HH2  ARG  19          2HH2      ARG  19  11.074  -7.123   1.397
  154    H    TYR  20           H        TYR  20  10.269   2.086  -0.291
  155    HA   TYR  20           HA       TYR  20  10.332   2.463  -3.257
  156   1HB   TYR  20          1HB       TYR  20   8.993   4.427  -3.013
  157   2HB   TYR  20          2HB       TYR  20   8.215   3.205  -2.009
  158    HD1  TYR  20           HD1      TYR  20   8.623   3.193   0.481
  159    HD2  TYR  20           HD2      TYR  20   9.933   6.408  -2.055
  160    HE1  TYR  20           HE1      TYR  20   8.901   4.650   2.468
  161    HE2  TYR  20           HE2      TYR  20  10.210   7.862  -0.065
  162    HH   TYR  20           HH       TYR  20  10.663   7.313   2.565
  163    H    ARG  21           H        ARG  21  12.088   2.740  -0.442
  164    HA   ARG  21           HA       ARG  21  13.886   4.743  -1.713
  165   1HB   ARG  21          1HB       ARG  21  12.293   5.412   0.417
  166   2HB   ARG  21          2HB       ARG  21  13.762   4.875   1.232
  167   1HG   ARG  21          1HG       ARG  21  15.104   6.409  -0.148
  168   2HG   ARG  21          2HG       ARG  21  13.646   6.936  -0.989
  169   1HD   ARG  21          1HD       ARG  21  13.661   8.579   0.605
  170   2HD   ARG  21          2HD       ARG  21  12.868   7.338   1.574
  171    HE   ARG  21           HE       ARG  21  15.169   6.791   2.475
  172   1HH1  ARG  21          1HH2      ARG  21  14.361   9.374   3.645
  173   2HH1  ARG  21          2HH2      ARG  21  15.700  10.406   3.271
  174   1HH2  ARG  21          1HH1      ARG  21  16.973   8.312   0.819
  175   2HH2  ARG  21          2HH1      ARG  21  17.177   9.808   1.670
  176    H    SER  22           H        SER  22  14.547   2.229  -2.074
  177    HA   SER  22           HA       SER  22  16.859   1.856  -0.317
  178   1HB   SER  22          1HB       SER  22  16.141  -0.681  -0.186
  179   2HB   SER  22          2HB       SER  22  15.499   0.471   0.982
  180    HG   SER  22           HG       SER  22  14.279  -0.611  -1.328
  181    H    VAL  23           H        VAL  23  16.345   2.532  -3.096
  182    HA   VAL  23           HA       VAL  23  16.701   0.385  -4.893
  183    HB   VAL  23           HB       VAL  23  16.238   2.534  -5.814
  184   1HG1  VAL  23          1HG1      VAL  23  17.785   3.496  -3.721
  185   2HG1  VAL  23          2HG1      VAL  23  18.756   3.873  -5.142
  186   3HG1  VAL  23          3HG1      VAL  23  17.101   4.471  -5.021
  187   1HG2  VAL  23          1HG2      VAL  23  18.090   1.007  -6.896
  188   2HG2  VAL  23          2HG2      VAL  23  17.808   2.628  -7.531
  189   3HG2  VAL  23          3HG2      VAL  23  19.164   2.330  -6.442
  190    H    ILE  24           H        ILE  24  19.190   2.379  -3.259
  191    HA   ILE  24           HA       ILE  24  21.155   0.249  -3.948
  192    HB   ILE  24           HB       ILE  24  21.616   3.155  -3.203
  193   1HG1  ILE  24          1HG1      ILE  24  20.734   2.926  -5.461
  194   2HG1  ILE  24          2HG1      ILE  24  22.460   3.276  -5.565
  195   1HG2  ILE  24          1HG2      ILE  24  23.357   0.826  -3.194
  196   2HG2  ILE  24          2HG2      ILE  24  23.928   2.046  -4.333
  197   3HG2  ILE  24          3HG2      ILE  24  23.688   2.466  -2.638
  198   1HD1  ILE  24          1HD1      ILE  24  22.729   0.676  -5.577
  199   2HD1  ILE  24          2HD1      ILE  24  21.029   0.674  -6.048
  200   3HD1  ILE  24          3HD1      ILE  24  22.223   1.486  -7.059
  201    H    LYS  25           H        LYS  25  19.223   0.238  -1.726
  202    HA   LYS  25           HA       LYS  25  20.843   0.694   0.690
  203   1HB   LYS  25          1HB       LYS  25  18.261   0.935   0.439
  204   2HB   LYS  25          2HB       LYS  25  18.239  -0.818   0.623
  205   1HG   LYS  25          1HG       LYS  25  19.484  -0.602   2.751
  206   2HG   LYS  25          2HG       LYS  25  19.469   1.153   2.572
  207   1HD   LYS  25          1HD       LYS  25  17.083   1.243   2.760
  208   2HD   LYS  25          2HD       LYS  25  16.941  -0.508   2.604
  209   1HE   LYS  25          1HE       LYS  25  16.962  -0.574   4.879
  210   2HE   LYS  25          2HE       LYS  25  18.681  -0.142   4.777
  211   1HZ   LYS  25          1HZ       LYS  25  17.733   2.226   4.395
  212   2HZ   LYS  25          2HZ       LYS  25  16.349   1.613   5.160
  213   3HZ   LYS  25          3HZ       LYS  25  17.839   1.616   5.977
  214    H    ALA  26           H        ALA  26  22.256  -0.805   1.431
  215    HA   ALA  26           HA       ALA  26  22.572  -3.383   0.233
  216   1HB   ALA  26          1HB       ALA  26  23.676  -2.000   2.641
  217   2HB   ALA  26          2HB       ALA  26  23.869  -3.749   2.535
  218   3HB   ALA  26          3HB       ALA  26  24.525  -2.712   1.268
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -6.340  10.633  -4.130
    2   2H    MET   1          2H        MET   1  -6.729  11.962  -5.108
    3   3H    MET   1          3H        MET   1  -6.831  12.096  -3.418
    4    HA   MET   1           HA       MET   1  -8.855  11.138  -3.316
    5   1HB   MET   1          1HB       MET   1  -8.487  12.818  -5.423
    6   2HB   MET   1          2HB       MET   1  -9.099  11.393  -6.265
    7   1HG   MET   1          1HG       MET   1 -10.884  11.414  -4.300
    8   2HG   MET   1          2HG       MET   1 -10.457  13.122  -4.232
    9   1HE   MET   1          1HE       MET   1 -10.660  10.349  -6.656
   10   2HE   MET   1          2HE       MET   1 -12.418  10.346  -6.467
   11   3HE   MET   1          3HE       MET   1 -11.693  10.860  -7.989
   12    HA   PRO   2           HA       PRO   2  -7.843   6.919  -4.700
   13   1HB   PRO   2          1HB       PRO   2  -9.000   5.697  -2.541
   14   2HB   PRO   2          2HB       PRO   2  -7.346   6.339  -2.517
   15   1HG   PRO   2          1HG       PRO   2  -9.846   7.507  -1.411
   16   2HG   PRO   2          2HG       PRO   2  -8.200   7.543  -0.765
   17   1HD   PRO   2          1HD       PRO   2  -9.378   9.645  -2.066
   18   2HD   PRO   2          2HD       PRO   2  -7.623   9.383  -1.989
   19    H    GLY   3           H        GLY   3  -9.216   5.829  -6.073
   20   1HA   GLY   3          1HA       GLY   3 -11.883   6.616  -6.564
   21   2HA   GLY   3          2HA       GLY   3 -11.204   5.063  -7.057
   22    H    THR   4           H        THR   4 -13.530   4.408  -6.500
   23    HA   THR   4           HA       THR   4 -14.039   4.172  -3.599
   24    HB   THR   4           HB       THR   4 -15.901   4.760  -5.146
   25    HG1  THR   4           HG1      THR   4 -17.162   3.688  -3.869
   26   1HG2  THR   4          1HG2      THR   4 -14.769   2.928  -6.827
   27   2HG2  THR   4          2HG2      THR   4 -16.118   2.002  -6.169
   28   3HG2  THR   4          3HG2      THR   4 -16.418   3.535  -6.988
   29    H    ILE   5           H        ILE   5 -11.772   2.767  -4.617
   30    HA   ILE   5           HA       ILE   5 -12.584   0.011  -3.901
   31    HB   ILE   5           HB       ILE   5 -10.965   0.758  -6.342
   32   1HG1  ILE   5          1HG1      ILE   5 -13.145  -1.198  -6.527
   33   2HG1  ILE   5          2HG1      ILE   5 -13.687   0.394  -5.995
   34   1HG2  ILE   5          1HG2      ILE   5 -11.126  -1.711  -4.683
   35   2HG2  ILE   5          2HG2      ILE   5 -11.144  -1.925  -6.434
   36   3HG2  ILE   5          3HG2      ILE   5  -9.791  -1.100  -5.660
   37   1HD1  ILE   5          1HD1      ILE   5 -11.985   1.094  -7.993
   38   2HD1  ILE   5          2HD1      ILE   5 -12.588  -0.446  -8.606
   39   3HD1  ILE   5          3HD1      ILE   5 -13.717   0.854  -8.222
   40    H    LYS   6           H        LYS   6 -11.541   0.764  -1.905
   41    HA   LYS   6           HA       LYS   6  -8.696   0.069  -1.875
   42   1HB   LYS   6          1HB       LYS   6  -9.635   2.869  -1.670
   43   2HB   LYS   6          2HB       LYS   6  -8.495   2.369  -0.420
   44   1HG   LYS   6          1HG       LYS   6  -7.995   1.823  -3.350
   45   2HG   LYS   6          2HG       LYS   6  -7.481   3.323  -2.578
   46   1HD   LYS   6          1HD       LYS   6  -5.952   2.237  -1.180
   47   2HD   LYS   6          2HD       LYS   6  -6.772   0.681  -1.331
   48   1HE   LYS   6          1HE       LYS   6  -5.287   0.143  -2.958
   49   2HE   LYS   6          2HE       LYS   6  -6.004   1.423  -3.960
   50   1HZ   LYS   6          1HZ       LYS   6  -4.595   3.039  -2.842
   51   2HZ   LYS   6          2HZ       LYS   6  -3.895   1.811  -1.900
   52   3HZ   LYS   6          3HZ       LYS   6  -3.647   1.842  -3.580
   53    H    GLU   7           H        GLU   7 -10.858  -1.242  -0.718
   54    HA   GLU   7           HA       GLU   7 -10.879  -0.438   2.138
   55   1HB   GLU   7          1HB       GLU   7 -12.368  -2.811   1.064
   56   2HB   GLU   7          2HB       GLU   7 -12.816  -1.711   2.369
   57   1HG   GLU   7          1HG       GLU   7 -13.191   0.091   0.732
   58   2HG   GLU   7          2HG       GLU   7 -12.734  -0.998  -0.576
   59    H    ASN   8           H        ASN   8  -8.394  -1.316   1.383
   60    HA   ASN   8           HA       ASN   8  -8.231  -3.923   2.814
   61   1HB   ASN   8          1HB       ASN   8  -8.094  -4.132   0.236
   62   2HB   ASN   8          2HB       ASN   8  -6.511  -3.370   0.400
   63   1HD2  ASN   8          2HD2      ASN   8  -6.619  -6.011  -0.548
   64   2HD2  ASN   8          1HD2      ASN   8  -6.021  -7.068   0.639
   65    H    ILE   9           H        ILE   9  -7.688  -1.789   4.278
   66    HA   ILE   9           HA       ILE   9  -4.791  -1.198   4.014
   67    HB   ILE   9           HB       ILE   9  -6.827   0.060   5.864
   68   1HG1  ILE   9          1HG1      ILE   9  -6.507   1.993   4.182
   69   2HG1  ILE   9          2HG1      ILE   9  -5.841   0.767   3.102
   70   1HG2  ILE   9          1HG2      ILE   9  -4.134   0.060   6.142
   71   2HG2  ILE   9          2HG2      ILE   9  -4.315   1.419   5.034
   72   3HG2  ILE   9          3HG2      ILE   9  -5.140   1.436   6.592
   73   1HD1  ILE   9          1HD1      ILE   9  -8.357  -0.046   4.369
   74   2HD1  ILE   9          2HD1      ILE   9  -8.517   1.374   3.336
   75   3HD1  ILE   9          3HD1      ILE   9  -7.870  -0.126   2.678
   76    H    ILE  10           H        ILE  10  -5.760  -0.725   7.193
   77    HA   ILE  10           HA       ILE  10  -5.129  -1.793   9.164
   78    HB   ILE  10           HB       ILE  10  -6.040  -4.099   7.440
   79   1HG1  ILE  10          1HG1      ILE  10  -7.956  -3.961   9.146
   80   2HG1  ILE  10          2HG1      ILE  10  -7.260  -2.413   9.633
   81   1HG2  ILE  10          1HG2      ILE  10  -5.243  -4.053  10.367
   82   2HG2  ILE  10          2HG2      ILE  10  -6.161  -5.362   9.621
   83   3HG2  ILE  10          3HG2      ILE  10  -4.514  -5.025   9.087
   84   1HD1  ILE  10          1HD1      ILE  10  -7.668  -2.846   6.714
   85   2HD1  ILE  10          2HD1      ILE  10  -9.113  -2.598   7.695
   86   3HD1  ILE  10          3HD1      ILE  10  -7.843  -1.374   7.669
   87    H    PHE  11           H        PHE  11  -3.489  -3.394  10.051
   88    HA   PHE  11           HA       PHE  11  -1.012  -3.155   8.569
   89   1HB   PHE  11          1HB       PHE  11  -1.367  -4.837  11.035
   90   2HB   PHE  11          2HB       PHE  11  -0.002  -3.848  10.551
   91    HD1  PHE  11           HD1      PHE  11  -0.553  -1.252  10.253
   92    HD2  PHE  11           HD2      PHE  11  -2.783  -3.999  12.690
   93    HE1  PHE  11           HE1      PHE  11  -1.443   0.645  11.580
   94    HE2  PHE  11           HE2      PHE  11  -3.671  -2.102  14.015
   95    HZ   PHE  11           HZ       PHE  11  -3.002   0.220  13.461
   96    H    GLY  12           H        GLY  12  -2.736  -4.673   7.017
   97   1HA   GLY  12          1HA       GLY  12  -1.422  -7.347   7.148
   98   2HA   GLY  12          2HA       GLY  12  -3.170  -7.245   6.936
   99    H    VAL  13           H        VAL  13  -1.783  -4.620   5.419
  100    HA   VAL  13           HA       VAL  13  -2.222  -5.826   2.772
  101    HB   VAL  13           HB       VAL  13  -3.124  -3.591   3.228
  102   1HG1  VAL  13          1HG1      VAL  13  -0.423  -3.264   4.334
  103   2HG1  VAL  13          2HG1      VAL  13  -0.936  -1.905   3.335
  104   3HG1  VAL  13          3HG1      VAL  13  -1.907  -2.394   4.724
  105   1HG2  VAL  13          1HG2      VAL  13  -1.390  -4.263   1.079
  106   2HG2  VAL  13          2HG2      VAL  13  -2.689  -3.069   1.081
  107   3HG2  VAL  13          3HG2      VAL  13  -1.047  -2.589   1.512
  108    H    SER  14           H        SER  14   0.051  -6.776   4.268
  109    HA   SER  14           HA       SER  14   2.351  -7.170   3.990
  110   1HB   SER  14          1HB       SER  14   1.909  -7.963   1.817
  111   2HB   SER  14          2HB       SER  14   1.405  -6.376   1.245
  112    HG   SER  14           HG       SER  14   3.637  -7.274   0.729
  113    H    TYR  15           H        TYR  15   1.548  -4.645   5.071
  114    HA   TYR  15           HA       TYR  15   2.323  -2.464   5.434
  115   1HB   TYR  15          1HB       TYR  15   4.367  -4.302   5.754
  116   2HB   TYR  15          2HB       TYR  15   5.078  -3.095   4.686
  117    HD1  TYR  15           HD1      TYR  15   5.006  -0.655   5.353
  118    HD2  TYR  15           HD2      TYR  15   3.965  -3.829   8.053
  119    HE1  TYR  15           HE1      TYR  15   5.281   0.890   7.276
  120    HE2  TYR  15           HE2      TYR  15   4.240  -2.284   9.975
  121    HH   TYR  15           HH       TYR  15   4.080   0.343  10.257
  122    H    ASP  16           H        ASP  16   1.163  -1.960   3.312
  123    HA   ASP  16           HA       ASP  16   1.148  -1.064   1.131
  124   1HB   ASP  16          1HB       ASP  16   1.694   0.891   2.422
  125   2HB   ASP  16          2HB       ASP  16   3.384   0.402   2.543
  126    H    GLU  17           H        GLU  17   2.160  -3.411   0.648
  127    HA   GLU  17           HA       GLU  17   3.555  -4.598  -0.813
  128   1HB   GLU  17          1HB       GLU  17   3.552  -1.839  -1.772
  129   2HB   GLU  17          2HB       GLU  17   5.041  -2.694  -2.175
  130   1HG   GLU  17          1HG       GLU  17   3.800  -4.486  -3.230
  131   2HG   GLU  17          2HG       GLU  17   2.268  -3.798  -2.692
  132    H    TYR  18           H        TYR  18   4.572  -4.759   1.557
  133    HA   TYR  18           HA       TYR  18   6.536  -4.876   2.842
  134   1HB   TYR  18          1HB       TYR  18   7.161  -6.324   0.921
  135   2HB   TYR  18          2HB       TYR  18   7.813  -4.906   0.100
  136    HD1  TYR  18           HD1      TYR  18   8.091  -6.858   3.272
  137    HD2  TYR  18           HD2      TYR  18  10.028  -4.208   0.501
  138    HE1  TYR  18           HE1      TYR  18  10.225  -7.133   4.504
  139    HE2  TYR  18           HE2      TYR  18  12.164  -4.484   1.734
  140    HH   TYR  18           HH       TYR  18  12.834  -6.875   3.741
  141    H    ARG  19           H        ARG  19   5.675  -2.351   2.865
  142    HA   ARG  19           HA       ARG  19   6.297  -0.077   2.836
  143   1HB   ARG  19          1HB       ARG  19   7.437  -0.849   4.830
  144   2HB   ARG  19          2HB       ARG  19   8.771  -1.485   3.868
  145   1HG   ARG  19          1HG       ARG  19   8.661   1.132   3.023
  146   2HG   ARG  19          2HG       ARG  19   8.222   1.277   4.719
  147   1HD   ARG  19          1HD       ARG  19  10.390  -0.578   4.517
  148   2HD   ARG  19          2HD       ARG  19  10.817   0.869   3.606
  149    HE   ARG  19           HE       ARG  19  11.175   1.856   5.706
  150   1HH1  ARG  19          1HH2      ARG  19  10.313  -0.964   6.855
  151   2HH1  ARG  19          2HH2      ARG  19   9.188  -0.434   8.063
  152   1HH2  ARG  19          1HH1      ARG  19   8.978   2.800   6.825
  153   2HH2  ARG  19          2HH1      ARG  19   8.432   1.697   8.044
  154    H    TYR  20           H        TYR  20   6.272  -0.519   0.354
  155    HA   TYR  20           HA       TYR  20   7.182   0.167  -1.682
  156   1HB   TYR  20          1HB       TYR  20   9.737   0.983  -0.371
  157   2HB   TYR  20          2HB       TYR  20   8.818   1.778  -1.645
  158    HD1  TYR  20           HD1      TYR  20   6.100   1.769  -0.426
  159    HD2  TYR  20           HD2      TYR  20   9.933   2.697   1.272
  160    HE1  TYR  20           HE1      TYR  20   5.000   3.222   1.256
  161    HE2  TYR  20           HE2      TYR  20   8.836   4.154   2.954
  162    HH   TYR  20           HH       TYR  20   6.578   5.481   3.047
  163    H    ARG  21           H        ARG  21   7.263  -2.349  -1.588
  164    HA   ARG  21           HA       ARG  21   9.735  -3.744  -1.287
  165   1HB   ARG  21          1HB       ARG  21   7.216  -4.573  -1.609
  166   2HB   ARG  21          2HB       ARG  21   7.718  -4.664  -3.295
  167   1HG   ARG  21          1HG       ARG  21   9.852  -5.843  -2.128
  168   2HG   ARG  21          2HG       ARG  21   8.595  -6.292  -0.974
  169   1HD   ARG  21          1HD       ARG  21   8.732  -6.909  -3.926
  170   2HD   ARG  21          2HD       ARG  21   8.555  -8.034  -2.578
  171    HE   ARG  21           HE       ARG  21   6.385  -6.111  -3.319
  172   1HH1  ARG  21          1HH2      ARG  21   7.130  -9.219  -4.022
  173   2HH1  ARG  21          2HH2      ARG  21   5.773  -9.952  -3.232
  174   1HH2  ARG  21          1HH1      ARG  21   4.811  -7.045  -1.607
  175   2HH2  ARG  21          2HH1      ARG  21   4.462  -8.721  -1.865
  176    H    SER  22           H        SER  22  10.590  -1.589  -2.611
  177    HA   SER  22           HA       SER  22  12.067  -1.120  -4.385
  178   1HB   SER  22          1HB       SER  22  11.116  -3.428  -6.011
  179   2HB   SER  22          2HB       SER  22  12.750  -2.809  -5.786
  180    HG   SER  22           HG       SER  22  12.804  -3.763  -3.773
  181    H    VAL  23           H        VAL  23   9.562   0.041  -4.163
  182    HA   VAL  23           HA       VAL  23   8.748   0.274  -7.031
  183    HB   VAL  23           HB       VAL  23   6.913   0.790  -4.681
  184   1HG1  VAL  23          1HG1      VAL  23   6.728   1.262  -7.441
  185   2HG1  VAL  23          2HG1      VAL  23   5.756  -0.183  -7.162
  186   3HG1  VAL  23          3HG1      VAL  23   5.405   1.301  -6.276
  187   1HG2  VAL  23          1HG2      VAL  23   7.960  -1.730  -5.528
  188   2HG2  VAL  23          2HG2      VAL  23   6.691  -1.425  -4.341
  189   3HG2  VAL  23          3HG2      VAL  23   6.274  -1.649  -6.040
  190    H    ILE  24           H        ILE  24  10.817   1.787  -5.859
  191    HA   ILE  24           HA       ILE  24  11.442   3.970  -5.203
  192    HB   ILE  24           HB       ILE  24  10.940   3.867  -7.757
  193   1HG1  ILE  24          1HG1      ILE  24  11.402   6.304  -7.939
  194   2HG1  ILE  24          2HG1      ILE  24  11.012   6.485  -6.229
  195   1HG2  ILE  24          1HG2      ILE  24   8.380   4.625  -6.800
  196   2HG2  ILE  24          2HG2      ILE  24   9.057   6.040  -7.599
  197   3HG2  ILE  24          3HG2      ILE  24   8.913   4.518  -8.476
  198   1HD1  ILE  24          1HD1      ILE  24  13.107   4.524  -7.160
  199   2HD1  ILE  24          2HD1      ILE  24  13.505   6.213  -6.850
  200   3HD1  ILE  24          3HD1      ILE  24  12.880   5.200  -5.548
  201    H    LYS  25           H        LYS  25   9.389   3.063  -3.516
  202    HA   LYS  25           HA       LYS  25   7.588   3.793  -2.188
  203   1HB   LYS  25          1HB       LYS  25   8.151   5.731  -0.978
  204   2HB   LYS  25          2HB       LYS  25   9.706   5.115  -1.525
  205   1HG   LYS  25          1HG       LYS  25   9.786   6.715  -3.332
  206   2HG   LYS  25          2HG       LYS  25   8.131   7.235  -3.013
  207   1HD   LYS  25          1HD       LYS  25   9.082   7.740  -0.602
  208   2HD   LYS  25          2HD       LYS  25  10.626   7.800  -1.452
  209   1HE   LYS  25          1HE       LYS  25   8.631   9.258  -2.959
  210   2HE   LYS  25          2HE       LYS  25   8.714   9.872  -1.296
  211   1HZ   LYS  25          1HZ       LYS  25  11.119   9.951  -1.474
  212   2HZ   LYS  25          2HZ       LYS  25  11.047   9.375  -3.071
  213   3HZ   LYS  25          3HZ       LYS  25  10.413  10.901  -2.693
  214    H    ALA  26           H        ALA  26   6.362   6.313  -1.977
  215    HA   ALA  26           HA       ALA  26   4.632   7.554  -2.961
  216   1HB   ALA  26          1HB       ALA  26   6.719   8.135  -4.442
  217   2HB   ALA  26          2HB       ALA  26   5.913   7.129  -5.646
  218   3HB   ALA  26          3HB       ALA  26   5.107   8.565  -5.014