*HEADER    CHLORIDE CHANNEL                        26-APR-99   1CKZ              
*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: P25, F508 MUTATION REGION;                                 
*COMPND   6 SYNONYM: P25_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, 13 STRUCTURES                                                    
*AUTHOR    M.A.MASSIAH, Y.H.KO, P.L.PEDERSEN, A.S.MILDVAN                        
*REVDAT   1   04-MAY-99 1CKZ    0                                                
set message=off echo=off end
!cf_p25peptide 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 P25peptide                      !
!......................................................................!
!                               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 1.5  {}
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 1.8 0 1.5  {}
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 3.2  {}
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.8 0 1.5  {}
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 1.5  {}
assign (resid 19 and name hn  ) (resid 20 and name hn  ) 1.8 0 1.5  {}
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  {}
!.................................(NH-NHi+2)........................
assign (resid 3 and name hn   ) (resid 5 and name hn   ) 1.8 0 3.2  {}
assign (resid 6 and name hn   ) (resid 8 and name hn   ) 1.8 0 3.2  {}
assign (resid 8 and name hn   ) (resid 10 and name hn   ) 1.8 0 3.2  {}
assign (resid 9 and name hn   ) (resid 11 and name hn  ) 1.8 0 3.2  {}
assign (resid 14 and name hn  ) (resid 16 and name hn  ) 1.8 0 3.2  {}
assign (resid 15 and name hn  ) (resid 17 and name hn  ) 1.8 0 3.2  {}
assign (resid 16 and name hn  ) (resid 18 and name hn  ) 1.8 0 3.2  {}
assign (resid 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 20 and name hn  ) (resid 22 and name hn  ) 1.8 0 3.2  {}
!.................................(NH-NHi+3)........................
assign (resid 17 and name hn  ) (resid 20 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 1.0  {}
assign (resid 3 and name ha1  ) (resid 4 and name hn   ) 1.8 0 1.5  {s}
assign (resid 3 and name ha2  ) (resid 4 and name hn   ) 1.8 0 1.5  {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 1.0  {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 1.5  {m}
assign (resid 12 and name ha1 ) (resid 13 and name hn  ) 1.8 0 1.0  {s}
assign (resid 12 and name ha2 ) (resid 13 and name hn  ) 1.8 0 1.0  {s}
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 3.2  {}
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.8 0 1.0  {s}
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.8 0 1.0  {s}
assign (resid 19 and name ha  ) (resid 20 and name hn  ) 1.8 0 1.5  {s}
assign (resid 20 and name ha  ) (resid 21 and name hn  ) 1.8 0 1.0  {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 1.5  {}
assign (resid 23 and name ha  ) (resid 24 and name hn  ) 1.8 0 1.0  {s}
assign (resid 24 and name ha  ) (resid 25 and name hn  ) 1.8 0 1.0  {s}
!.............................Helix 1 (Ha-NHi+2)................................
assign (resid 5 and name ha   ) (resid 7 and name hn   ) 1.8 0 3.2  {W}
assign (resid 8 and name ha   ) (resid 10 and name hn  ) 1.8 0 3.2  {W}
assign (resid 15 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {W}
assign (resid 17 and name ha  ) (resid 19 and name hn  ) 1.8 0 3.2  {W}
assign (resid 18 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {W}
assign (resid 20 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {W}
assign (resid 21 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {W}
!.............................Helix 1 (Ha-NHi+3)................................
assign (resid 15 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {W}
assign (resid 17 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {W}
!..............................................................................
!met1
!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  {}
!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 3.2  {}
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  {}
assign (resid 5 and name hn ) (resid 4 and name hb   ) 1.8 0 3.2  {}
!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 3.7  {}
assign (resid 6 and name hn ) (resid 6 and name hg*  ) 1.8 0 3.7  {}
assign (resid 6 and name hn ) (resid 5 and name hg2* ) 1.8 0 4.2  {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 hb*  ) 1.8 0 2.5  {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 hb*  ) 1.8 0 3.7  {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  {}
!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 1.0  {}
assign (resid 8 and name hn ) (resid 8 and name hb2  ) 1.8 0 1.0  {}
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 hb*  ) 1.8 0 3.7  {}
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  {s}
assign (resid 9 and name hn ) (resid 9 and name hg11 ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 9 and name hg12 ) 1.8 0 3.2  {}
assign (resid 9 and name hn ) (resid 9 and name hd*  ) 1.8 0 4.2  {}
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 hg1* ) 1.8 0 3.7  {}
assign (resid 9 and name ha ) (resid 9 and name hd*  ) 1.8 0 2.0  {s }
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 1.0  {s}
assign (resid 10 and name hn ) (resid 10 and name hg11 ) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 10 and name hg12 ) 1.8 0 3.2  {}
assign (resid 10 and name hn ) (resid 10 and name hd*  ) 1.8 0 4.2  {}
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 3.2  {}
assign (resid 10 and name ha ) (resid 10 and name hg12 ) 1.8 0 3.2  {}
assign (resid 10 and name ha ) (resid 10 and name hd*  ) 1.8 0 2.5  {, }
assign (resid 10 and name ha ) (resid 10 and name hg2* ) 1.8 0 2.5  {}
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 4.2  {}
!gly11
assign (resid 11 and name hn ) (resid 11 and name ha1  ) 1.8 0 2.0  {m}
assign (resid 11 and name hn ) (resid 11 and name ha2  ) 1.8 0 2.0  {m}
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 hg1* ) 1.8 0 3.7  {}
assign (resid 11 and name hn ) (resid 10 and name hg2* ) 1.8 0 4.2  {}
!val12
assign (resid 12 and name hn ) (resid 12 and name ha ) 1.8 0 3.2  {}
assign (resid 12 and name hn ) (resid 12 and name hb ) 1.8 0 1.0  {}
assign (resid 12 and name hn ) (resid 12 and name hg2*) 1.8 0 2.5  {}
assign (resid 12 and name hn ) (resid 12 and name hg1*) 1.8 0 4.2  {}
assign (resid 12 and name ha ) (resid 12 and name hb  ) 1.8 0 3.2  {}
assign (resid 12 and name ha ) (resid 12 and name hg2* ) 1.8 0 4.2  {}
assign (resid 12 and name ha ) (resid 12 and name hg1* ) 1.8 0 4.2  {}
!ser13
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 hb1) 1.8 0 2.0  {m}
assign (resid 13 and name hn ) (resid 13 and name hb2) 1.8 0 2.0  {m}
assign (resid 13 and name ha ) (resid 12 and name hb ) 1.8 0 3.2  {}
assign (resid 13 and name ha ) (resid 12 and name hg1*) 1.8 0 2.5  {}
assign (resid 13 and name ha ) (resid 12 and name hg2*) 1.8 0 4.2  {}
assign (resid 13 and name hn ) (resid 12 and name hb ) 1.8 0 2.0  {}
assign (resid 13 and name hn ) (resid 12 and name hg1*) 1.8 0 4.2  {}
!tyr14
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 14 and name hd*) 1.8 0 3.8  {1.5+2.3}
assign (resid 14 and name ha ) (resid 14 and name hb1) 1.8 0 3.2  {}
assign (resid 14 and name ha ) (resid 14 and name hb2) 1.8 0 3.2  {}
assign (resid 14 and name ha ) (resid 14 and name hd*) 1.8 0 3.3  {1.0+2.3}
assign (resid 14 and name hb1) (resid 14 and name hd*) 1.8 0 3.3  {1.0+2.3}
assign (resid 14 and name hb2) (resid 14 and name hd*) 1.8 0 3.3  {1.0+2.3}
assign (resid 14 and name hn ) (resid 13 and name hb1) 1.8 0 3.7  {}
assign (resid 14 and name hn ) (resid 13 and name hb2) 1.8 0 3.7  {}
!asp15
assign (resid 15 and name hn ) (resid 15 and name ha ) 1.8 0 3.2  {}
assign (resid 15 and name hn ) (resid 15 and name hb1) 1.8 0 1.5  {m}
assign (resid 15 and name hn ) (resid 15 and name hb2) 1.8 0 1.5  {m}
assign (resid 15 and name ha ) (resid 15 and name hb1) 1.8 0 3.7  {m}
assign (resid 15 and name ha ) (resid 15 and name hb2) 1.8 0 3.7  {m}
assign (resid 15 and name hn ) (resid 14 and name hb1) 1.8 0 3.2  {}
assign (resid 15 and name hn ) (resid 14 and name hb2) 1.8 0 3.2  {}
assign (resid 15 and name hn ) (resid 14 and name hd*) 1.8 0 3.8  {1.5+2.3}
!glu16
assign (resid 16 and name hn ) (resid 16 and name ha  ) 1.8 0 1.5  {}
assign (resid 16 and name hn ) (resid 16 and name hb* ) 1.8 0 2.5  {}
assign (resid 16 and name hn ) (resid 16 and name hg* ) 1.8 0 3.7  {}
assign (resid 16 and name ha ) (resid 16 and name hb* ) 1.8 0 3.7  {}
assign (resid 16 and name ha ) (resid 16 and name hg* ) 1.8 0 2.5  {}
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 14 and name hd*) 1.8 0 5.5  {3.2+2.3}
!tyr17
assign (resid 17 and name hn ) (resid 17 and name ha  ) 1.8 0 2.0  {}
assign (resid 17 and name hn ) (resid 17 and name hb1 ) 1.8 0 3.2  {}
assign (resid 17 and name hn ) (resid 17 and name hb2 ) 1.8 0 1.5  {}
assign (resid 17 and name hn ) (resid 17 and name hd* ) 1.8 0 3.8  {1.5+2.3}
assign (resid 17 and name ha ) (resid 17 and name hb1 ) 1.8 0 1.5  {}
assign (resid 17 and name ha ) (resid 17 and name hb2 ) 1.8 0 3.2  {}
assign (resid 17 and name ha ) (resid 17 and name hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 17 and name hb1) (resid 17 and name hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 17 and name hb2) (resid 17 and name hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 17 and name hn ) (resid 16 and name hb* ) 1.8 0 2.5  {}
assign (resid 17 and name hn ) (resid 16 and name hg* ) 1.8 0 3.7  {}
!arg18
assign (resid 18 and name hn ) (resid 18 and name ha  ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 18 and name hb* ) 1.8 0 1.5  {}
assign (resid 18 and name hn ) (resid 18 and name hg* ) 1.8 0 3.7  {}
assign (resid 18 and name ha ) (resid 18 and name hb* ) 1.8 0 3.7  {}
assign (resid 18 and name ha ) (resid 18 and name hg* ) 1.8 0 1.5  {}
assign (resid 18 and name hn ) (resid 17 and name hb1 ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 17 and name hb2 ) 1.8 0 3.2  {}
assign (resid 18 and name hn ) (resid 17 and name hd* ) 1.8 0 5.5  {3.2+2.3}
!tyr19
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 3.2  {}
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 hd* ) 1.8 0 3.8  {1.5+2.3}
assign (resid 19 and name ha ) (resid 19 and name hb1 ) 1.8 0 1.5  {}
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 hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 19 and name hb1) (resid 19 and name hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 19 and name hb2) (resid 19 and name hd* ) 1.8 0 3.3  {1.0+2.3}
assign (resid 19 and name hn ) (resid 18 and name hb* ) 1.8 0 3.7  {}
assign (resid 19 and name hn ) (resid 18 and name hg* ) 1.8 0 3.7  {}
assign (resid 19 and name hd*) (resid 16 and name hd* ) 1.8 0 7.8  {3.2+2.3+2.3}
assign (resid 19 and name hd*) (resid 17 and name hg* ) 1.8 0 6.0  {3.2+2.3+0.5}
assign (resid 19 and name hd*) (resid 17 and name hb* ) 1.8 0 6.0  {3.2+2.3+0.5}
!arg20
assign (resid 20 and name hn ) (resid 20 and name ha  ) 1.8 0 3.2  {}
assign (resid 20 and name hn ) (resid 20 and name hb1 ) 1.8 0 1.5  {}
assign (resid 20 and name hn ) (resid 20 and name hb2 ) 1.8 0 1.5  {}
assign (resid 20 and name hn ) (resid 20 and name hg* ) 1.8 0 3.7  {}
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 hg* ) 1.8 0 2.0  {}
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 hd* ) 1.8 0 5.5  {3.2+2.3}
!ser21
assign (resid 21 and name hn ) (resid 21 and name ha  ) 1.8 0 3.2  {}
assign (resid 21 and name hn ) (resid 21 and name hb* ) 1.8 0 2.0  {}
assign (resid 21 and name ha ) (resid 21 and name hb* ) 1.8 0 3.7  {}
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 hg* ) 1.8 0 3.7  {}
!val22
assign (resid 22 and name hn ) (resid 22 and name ha  ) 1.8 0 3.2  {}
assign (resid 22 and name hn ) (resid 22 and name hb  ) 1.8 0 1.0  {}
assign (resid 22 and name hn ) (resid 22 and name hg1*) 1.8 0 5.2  {}
assign (resid 22 and name hn ) (resid 22 and name hg2*) 1.8 0 5.2  {}
assign (resid 22 and name ha ) (resid 22 and name hb  ) 1.8 0 3.2  {}
assign (resid 22 and name ha ) (resid 22 and name hg1*) 1.8 0 4.2  {}
assign (resid 22 and name ha ) (resid 22 and name hg2*) 1.8 0 4.2  {}
assign (resid 22 and name hn ) (resid 21 and name hb* ) 1.8 0 3.7  {}
!ile23
assign (resid 23 and name hn ) (resid 23 and name ha  ) 1.8 0 3.2  {}
assign (resid 23 and name hn ) (resid 23 and name hb  ) 1.8 0 1.0  {}
assign (resid 23 and name hn ) (resid 23 and name hg11) 1.8 0 3.2  {}
assign (resid 23 and name hn ) (resid 23 and name hg12) 1.8 0 3.2  {}
assign (resid 23 and name hn ) (resid 23 and name hg2*) 1.8 0 4.2  {}
assign (resid 23 and name hn ) (resid 23 and name hd* ) 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 hg11) 1.8 0 3.2  {}
assign (resid 23 and name ha ) (resid 23 and name hg12) 1.8 0 3.2  {m}
assign (resid 23 and name ha ) (resid 23 and name hd* ) 1.8 0 2.5  {m}
assign (resid 23 and name ha ) (resid 23 and name hg2*) 1.8 0 2.5  {m}
assign (resid 23 and name hn ) (resid 22 and name hb  ) 1.8 0 3.2  {}
assign (resid 23 and name hn ) (resid 22 and name hg1*) 1.8 0 4.2  {}
!lys24
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 3.7  {}
assign (resid 24 and name hn ) (resid 24 and name hg* ) 1.8 0 3.7  {}
assign (resid 24 and name ha ) (resid 24 and name hb* ) 1.8 0 3.7  {}
assign (resid 24 and name ha ) (resid 24 and name hg* ) 1.8 0 2.0  {}
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 hg2*) 1.8 0 4.2  {}
!ala25


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -13.377  -5.176  -2.179
    2   2H    MET   1          2H        MET   1 -13.152  -4.294  -0.744
    3   3H    MET   1          3H        MET   1 -13.085  -5.989  -0.716
    4    HA   MET   1           HA       MET   1 -15.409  -6.180  -1.180
    5   1HB   MET   1          1HB       MET   1 -14.180  -4.831   1.048
    6   2HB   MET   1          2HB       MET   1 -15.814  -4.206   0.822
    7   1HG   MET   1          1HG       MET   1 -16.351  -6.811   0.515
    8   2HG   MET   1          2HG       MET   1 -14.921  -6.962   1.537
    9   1HE   MET   1          1HE       MET   1 -14.457  -5.323   3.254
   10   2HE   MET   1          2HE       MET   1 -15.529  -3.924   3.407
   11   3HE   MET   1          3HE       MET   1 -15.525  -5.175   4.647
   12    HA   PRO   2           HA       PRO   2 -16.808  -2.791  -3.719
   13   1HB   PRO   2          1HB       PRO   2 -19.197  -3.921  -4.424
   14   2HB   PRO   2          2HB       PRO   2 -17.652  -4.393  -5.158
   15   1HG   PRO   2          1HG       PRO   2 -19.255  -5.769  -3.076
   16   2HG   PRO   2          2HG       PRO   2 -18.270  -6.449  -4.379
   17   1HD   PRO   2          1HD       PRO   2 -17.488  -6.298  -1.741
   18   2HD   PRO   2          2HD       PRO   2 -16.375  -6.427  -3.119
   19    H    GLY   3           H        GLY   3 -18.724  -1.306  -3.665
   20   1HA   GLY   3          1HA       GLY   3 -20.642  -0.364  -2.580
   21   2HA   GLY   3          2HA       GLY   3 -20.443  -1.513  -1.261
   22    H    THR   4           H        THR   4 -17.500  -0.830  -1.241
   23    HA   THR   4           HA       THR   4 -17.749   1.791   0.167
   24    HB   THR   4           HB       THR   4 -17.364  -0.285   1.594
   25    HG1  THR   4           HG1      THR   4 -16.478   1.087   2.896
   26   1HG2  THR   4          1HG2      THR   4 -15.298  -0.669  -0.316
   27   2HG2  THR   4          2HG2      THR   4 -14.522  -0.347   1.235
   28   3HG2  THR   4          3HG2      THR   4 -15.677  -1.672   1.085
   29    H    ILE   5           H        ILE   5 -17.196   2.164  -2.376
   30    HA   ILE   5           HA       ILE   5 -14.353   1.934  -2.996
   31    HB   ILE   5           HB       ILE   5 -16.345   1.905  -4.650
   32   1HG1  ILE   5          1HG1      ILE   5 -14.818   3.558  -6.181
   33   2HG1  ILE   5          2HG1      ILE   5 -13.688   3.189  -4.876
   34   1HG2  ILE   5          1HG2      ILE   5 -16.918   4.332  -3.528
   35   2HG2  ILE   5          2HG2      ILE   5 -16.024   4.824  -4.966
   36   3HG2  ILE   5          3HG2      ILE   5 -17.469   3.825  -5.124
   37   1HD1  ILE   5          1HD1      ILE   5 -14.887   0.736  -5.444
   38   2HD1  ILE   5          2HD1      ILE   5 -14.640   1.470  -7.029
   39   3HD1  ILE   5          3HD1      ILE   5 -13.272   1.243  -5.939
   40    H    LYS   6           H        LYS   6 -14.543   3.277  -0.612
   41    HA   LYS   6           HA       LYS   6 -13.423   5.897  -1.328
   42   1HB   LYS   6          1HB       LYS   6 -15.981   6.123  -0.960
   43   2HB   LYS   6          2HB       LYS   6 -15.622   5.813   0.740
   44   1HG   LYS   6          1HG       LYS   6 -14.732   7.874   1.046
   45   2HG   LYS   6          2HG       LYS   6 -13.852   7.815  -0.482
   46   1HD   LYS   6          1HD       LYS   6 -15.480   8.936  -1.592
   47   2HD   LYS   6          2HD       LYS   6 -16.764   8.006  -0.820
   48   1HE   LYS   6          1HE       LYS   6 -17.054  10.249  -0.029
   49   2HE   LYS   6          2HE       LYS   6 -16.243   9.399   1.303
   50   1HZ   LYS   6          1HZ       LYS   6 -14.695  10.707  -0.848
   51   2HZ   LYS   6          2HZ       LYS   6 -15.219  11.588   0.507
   52   3HZ   LYS   6          3HZ       LYS   6 -14.180  10.259   0.705
   53    H    GLU   7           H        GLU   7 -12.400   3.450  -0.221
   54    HA   GLU   7           HA       GLU   7 -10.953   4.529   2.032
   55   1HB   GLU   7          1HB       GLU   7 -13.420   3.381   2.693
   56   2HB   GLU   7          2HB       GLU   7 -12.237   2.122   3.047
   57   1HG   GLU   7          1HG       GLU   7 -11.013   3.545   4.521
   58   2HG   GLU   7          2HG       GLU   7 -11.874   4.980   3.964
   59    H    ASN   8           H        ASN   8  -9.546   3.782   0.149
   60    HA   ASN   8           HA       ASN   8  -9.137   0.902  -0.145
   61   1HB   ASN   8          1HB       ASN   8  -8.761   2.684  -1.953
   62   2HB   ASN   8          2HB       ASN   8  -7.283   3.098  -1.082
   63   1HD2  ASN   8          2HD2      ASN   8  -6.505   2.265  -3.408
   64   2HD2  ASN   8          1HD2      ASN   8  -6.094   0.620  -3.474
   65    H    ILE   9           H        ILE   9  -8.878   1.591   2.537
   66    HA   ILE   9           HA       ILE   9  -5.956   1.705   3.078
   67    HB   ILE   9           HB       ILE   9  -8.295   1.768   4.990
   68   1HG1  ILE   9          1HG1      ILE   9  -8.454   3.704   3.563
   69   2HG1  ILE   9          2HG1      ILE   9  -7.743   4.242   5.085
   70   1HG2  ILE   9          1HG2      ILE   9  -5.440   1.570   5.331
   71   2HG2  ILE   9          2HG2      ILE   9  -6.000   3.110   5.984
   72   3HG2  ILE   9          3HG2      ILE   9  -6.695   1.599   6.570
   73   1HD1  ILE   9          1HD1      ILE   9  -5.483   3.596   3.778
   74   2HD1  ILE   9          2HD1      ILE   9  -6.496   3.998   2.391
   75   3HD1  ILE   9          3HD1      ILE   9  -6.216   5.195   3.655
   76    H    ILE  10           H        ILE  10  -8.227  -0.568   2.438
   77    HA   ILE  10           HA       ILE  10  -7.772  -2.498   4.538
   78    HB   ILE  10           HB       ILE  10  -9.772  -2.543   3.075
   79   1HG1  ILE  10          1HG1      ILE  10  -8.326  -5.095   2.475
   80   2HG1  ILE  10          2HG1      ILE  10  -8.526  -4.636   4.167
   81   1HG2  ILE  10          1HG2      ILE  10  -7.969  -2.147   1.033
   82   2HG2  ILE  10          2HG2      ILE  10  -8.347  -3.861   0.858
   83   3HG2  ILE  10          3HG2      ILE  10  -9.641  -2.663   0.808
   84   1HD1  ILE  10          1HD1      ILE  10 -11.032  -4.141   3.127
   85   2HD1  ILE  10          2HD1      ILE  10 -10.533  -5.580   2.238
   86   3HD1  ILE  10          3HD1      ILE  10 -10.570  -5.602   4.001
   87    H    GLY  11           H        GLY  11  -5.240  -1.603   3.717
   88   1HA   GLY  11          1HA       GLY  11  -3.150  -2.390   3.034
   89   2HA   GLY  11          2HA       GLY  11  -3.795  -3.980   3.434
   90    H    VAL  12           H        VAL  12  -3.591  -1.585   0.820
   91    HA   VAL  12           HA       VAL  12  -4.363  -3.667  -1.145
   92    HB   VAL  12           HB       VAL  12  -4.279  -0.723  -1.110
   93   1HG1  VAL  12          1HG1      VAL  12  -3.063  -2.248  -3.400
   94   2HG1  VAL  12          2HG1      VAL  12  -4.007  -0.794  -3.726
   95   3HG1  VAL  12          3HG1      VAL  12  -2.569  -0.702  -2.709
   96   1HG2  VAL  12          1HG2      VAL  12  -5.733  -2.878  -2.649
   97   2HG2  VAL  12          2HG2      VAL  12  -6.363  -1.870  -1.346
   98   3HG2  VAL  12          3HG2      VAL  12  -6.012  -1.159  -2.922
   99    H    SER  13           H        SER  13  -1.739  -1.246  -1.014
  100    HA   SER  13           HA       SER  13  -0.003  -2.953  -2.581
  101   1HB   SER  13          1HB       SER  13   0.029  -0.230  -1.571
  102   2HB   SER  13          2HB       SER  13   1.586  -1.011  -1.317
  103    HG   SER  13           HG       SER  13   1.912  -0.931  -3.386
  104    H    TYR  14           H        TYR  14   0.648  -4.837  -1.566
  105    HA   TYR  14           HA       TYR  14   1.241  -4.828   1.313
  106   1HB   TYR  14          1HB       TYR  14   0.618  -6.803  -0.707
  107   2HB   TYR  14          2HB       TYR  14   2.064  -7.274   0.186
  108    HD1  TYR  14           HD1      TYR  14   1.980  -7.256   2.740
  109    HD2  TYR  14           HD2      TYR  14  -1.530  -6.976   0.279
  110    HE1  TYR  14           HE1      TYR  14   0.573  -7.921   4.671
  111    HE2  TYR  14           HE2      TYR  14  -2.936  -7.643   2.209
  112    HH   TYR  14           HH       TYR  14  -2.948  -8.344   4.317
  113    H    ASP  15           H        ASP  15   3.060  -5.357  -1.720
  114    HA   ASP  15           HA       ASP  15   5.538  -4.720  -0.176
  115   1HB   ASP  15          1HB       ASP  15   4.997  -7.219  -1.100
  116   2HB   ASP  15          2HB       ASP  15   5.815  -6.534  -2.504
  117    H    GLU  16           H        GLU  16   4.581  -2.576  -1.273
  118    HA   GLU  16           HA       GLU  16   6.318  -2.088  -3.594
  119   1HB   GLU  16          1HB       GLU  16   3.586  -2.718  -4.000
  120   2HB   GLU  16          2HB       GLU  16   3.743  -0.979  -4.256
  121   1HG   GLU  16          1HG       GLU  16   5.747  -1.489  -5.731
  122   2HG   GLU  16          2HG       GLU  16   5.289  -3.190  -5.629
  123    H    TYR  17           H        TYR  17   5.621  -1.158  -0.707
  124    HA   TYR  17           HA       TYR  17   6.515   1.491  -0.896
  125   1HB   TYR  17          1HB       TYR  17   3.930   1.359  -1.914
  126   2HB   TYR  17          2HB       TYR  17   3.689   1.901  -0.254
  127    HD1  TYR  17           HD1      TYR  17   6.408   2.508  -2.772
  128    HD2  TYR  17           HD2      TYR  17   3.422   4.213  -0.197
  129    HE1  TYR  17           HE1      TYR  17   7.168   4.785  -3.396
  130    HE2  TYR  17           HE2      TYR  17   4.182   6.490  -0.821
  131    HH   TYR  17           HH       TYR  17   6.320   7.539  -1.688
  132    H    ARG  18           H        ARG  18   6.813  -0.713   0.835
  133    HA   ARG  18           HA       ARG  18   5.353  -0.014   3.314
  134   1HB   ARG  18          1HB       ARG  18   6.057  -2.425   2.354
  135   2HB   ARG  18          2HB       ARG  18   7.501  -2.080   3.309
  136   1HG   ARG  18          1HG       ARG  18   5.252  -1.320   4.877
  137   2HG   ARG  18          2HG       ARG  18   4.920  -2.927   4.231
  138   1HD   ARG  18          1HD       ARG  18   7.608  -2.300   5.428
  139   2HD   ARG  18          2HD       ARG  18   6.251  -2.734   6.466
  140    HE   ARG  18           HE       ARG  18   7.541  -4.520   4.475
  141   1HH1  ARG  18          1HH1      ARG  18   4.413  -4.427   5.231
  142   2HH1  ARG  18          2HH1      ARG  18   4.355  -5.855   6.208
  143   1HH2  ARG  18          1HH2      ARG  18   7.801  -6.150   6.450
  144   2HH2  ARG  18          2HH2      ARG  18   6.272  -6.833   6.897
  145    H    TYR  19           H        TYR  19   6.905   2.093   2.619
  146    HA   TYR  19           HA       TYR  19   8.710   3.440   3.298
  147   1HB   TYR  19          1HB       TYR  19   8.024   1.797   5.731
  148   2HB   TYR  19          2HB       TYR  19   9.314   3.000   5.782
  149    HD1  TYR  19           HD1      TYR  19   8.674   5.356   4.733
  150    HD2  TYR  19           HD2      TYR  19   5.849   2.485   6.227
  151    HE1  TYR  19           HE1      TYR  19   6.991   7.155   5.010
  152    HE2  TYR  19           HE2      TYR  19   4.166   4.286   6.505
  153    HH   TYR  19           HH       TYR  19   4.921   7.522   6.479
  154    H    ARG  20           H        ARG  20   9.365   0.862   1.960
  155    HA   ARG  20           HA       ARG  20  11.979   0.255   3.258
  156   1HB   ARG  20          1HB       ARG  20   9.985  -1.361   1.918
  157   2HB   ARG  20          2HB       ARG  20  11.541  -1.511   1.103
  158   1HG   ARG  20          1HG       ARG  20  11.809  -1.550   4.013
  159   2HG   ARG  20          2HG       ARG  20  10.785  -2.857   3.417
  160   1HD   ARG  20          1HD       ARG  20  12.510  -3.649   1.945
  161   2HD   ARG  20          2HD       ARG  20  13.498  -2.217   2.233
  162    HE   ARG  20           HE       ARG  20  14.387  -3.428   4.037
  163   1HH1  ARG  20          1HH1      ARG  20  11.980  -2.919   5.719
  164   2HH1  ARG  20          2HH1      ARG  20  11.473  -4.522   6.138
  165   1HH2  ARG  20          1HH2      ARG  20  13.341  -6.049   3.648
  166   2HH2  ARG  20          2HH2      ARG  20  12.247  -6.294   4.967
  167    H    SER  21           H        SER  21  11.630   2.677   1.818
  168    HA   SER  21           HA       SER  21  13.120   2.137  -0.707
  169   1HB   SER  21          1HB       SER  21  12.000   4.834  -0.043
  170   2HB   SER  21          2HB       SER  21  12.198   4.068  -1.617
  171    HG   SER  21           HG       SER  21  10.332   3.093  -1.379
  172    H    VAL  22           H        VAL  22  14.275   2.108   1.962
  173    HA   VAL  22           HA       VAL  22  15.882   4.599   2.052
  174    HB   VAL  22           HB       VAL  22  14.993   3.619   4.168
  175   1HG1  VAL  22          1HG1      VAL  22  16.001   1.225   3.001
  176   2HG1  VAL  22          2HG1      VAL  22  16.912   1.512   4.483
  177   3HG1  VAL  22          3HG1      VAL  22  15.153   1.406   4.536
  178   1HG2  VAL  22          1HG2      VAL  22  17.196   4.941   3.958
  179   2HG2  VAL  22          2HG2      VAL  22  16.983   3.979   5.421
  180   3HG2  VAL  22          3HG2      VAL  22  18.007   3.383   4.115
  181    H    ILE  23           H        ILE  23  16.015   1.745   0.387
  182    HA   ILE  23           HA       ILE  23  19.002   1.817   0.324
  183    HB   ILE  23           HB       ILE  23  17.391  -0.614  -0.407
  184   1HG1  ILE  23          1HG1      ILE  23  18.266  -1.143   2.130
  185   2HG1  ILE  23          2HG1      ILE  23  17.824   0.559   2.269
  186   1HG2  ILE  23          1HG2      ILE  23  20.207   0.121  -0.014
  187   2HG2  ILE  23          2HG2      ILE  23  19.747  -1.347   0.848
  188   3HG2  ILE  23          3HG2      ILE  23  19.517  -1.241  -0.897
  189   1HD1  ILE  23          1HD1      ILE  23  16.032  -1.606   1.138
  190   2HD1  ILE  23          2HD1      ILE  23  15.912  -0.947   2.770
  191   3HD1  ILE  23          3HD1      ILE  23  15.600   0.087   1.376
  192    H    LYS  24           H        LYS  24  17.409   3.482  -1.304
  193    HA   LYS  24           HA       LYS  24  16.612   2.547  -3.806
  194   1HB   LYS  24          1HB       LYS  24  17.171   4.770  -4.681
  195   2HB   LYS  24          2HB       LYS  24  16.449   4.917  -3.078
  196   1HG   LYS  24          1HG       LYS  24  18.282   6.001  -2.358
  197   2HG   LYS  24          2HG       LYS  24  19.259   4.580  -2.729
  198   1HD   LYS  24          1HD       LYS  24  18.874   5.623  -5.228
  199   2HD   LYS  24          2HD       LYS  24  18.938   7.089  -4.248
  200   1HE   LYS  24          1HE       LYS  24  21.026   5.690  -3.178
  201   2HE   LYS  24          2HE       LYS  24  21.092   5.153  -4.868
  202   1HZ   LYS  24          1HZ       LYS  24  20.508   7.815  -5.032
  203   2HZ   LYS  24          2HZ       LYS  24  21.641   7.743  -3.769
  204   3HZ   LYS  24          3HZ       LYS  24  22.030   7.117  -5.299
  205    H    ALA  25           H        ALA  25  17.796   2.568  -5.898
  206    HA   ALA  25           HA       ALA  25  20.640   1.721  -5.517
  207   1HB   ALA  25          1HB       ALA  25  18.424   0.429  -6.825
  208   2HB   ALA  25          2HB       ALA  25  19.667   0.799  -8.020
  209   3HB   ALA  25          3HB       ALA  25  20.069  -0.168  -6.601
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -21.030   3.334  -0.759
    2   2H    MET   1          2H        MET   1 -22.207   3.206   0.457
    3   3H    MET   1          3H        MET   1 -22.518   2.587  -1.090
    4    HA   MET   1           HA       MET   1 -23.213   4.549  -1.870
    5   1HB   MET   1          1HB       MET   1 -23.502   4.377   0.962
    6   2HB   MET   1          2HB       MET   1 -23.133   6.058   0.575
    7   1HG   MET   1          1HG       MET   1 -25.219   4.491  -0.947
    8   2HG   MET   1          2HG       MET   1 -25.610   5.385   0.521
    9   1HE   MET   1          1HE       MET   1 -25.540   7.722   0.896
   10   2HE   MET   1          2HE       MET   1 -23.841   7.973   0.474
   11   3HE   MET   1          3HE       MET   1 -25.086   9.007  -0.221
   12    HA   PRO   2           HA       PRO   2 -19.874   7.762  -0.693
   13   1HB   PRO   2          1HB       PRO   2 -17.911   6.998   1.058
   14   2HB   PRO   2          2HB       PRO   2 -19.434   7.746   1.576
   15   1HG   PRO   2          1HG       PRO   2 -18.626   4.886   1.606
   16   2HG   PRO   2          2HG       PRO   2 -19.577   5.803   2.783
   17   1HD   PRO   2          1HD       PRO   2 -20.667   4.102   0.950
   18   2HD   PRO   2          2HD       PRO   2 -21.532   5.493   1.640
   19    H    GLY   3           H        GLY   3 -17.091   7.530  -0.657
   20   1HA   GLY   3          1HA       GLY   3 -16.630   5.641  -2.928
   21   2HA   GLY   3          2HA       GLY   3 -15.736   7.141  -2.680
   22    H    THR   4           H        THR   4 -16.202   5.683   0.286
   23    HA   THR   4           HA       THR   4 -13.379   4.856   0.371
   24    HB   THR   4           HB       THR   4 -14.472   6.144   2.235
   25    HG1  THR   4           HG1      THR   4 -12.732   5.140   2.955
   26   1HG2  THR   4          1HG2      THR   4 -16.296   3.877   2.048
   27   2HG2  THR   4          2HG2      THR   4 -15.700   4.112   3.690
   28   3HG2  THR   4          3HG2      THR   4 -16.520   5.430   2.854
   29    H    ILE   5           H        ILE   5 -14.876   3.215  -1.346
   30    HA   ILE   5           HA       ILE   5 -15.198   0.705   0.244
   31    HB   ILE   5           HB       ILE   5 -16.138   1.026  -2.594
   32   1HG1  ILE   5          1HG1      ILE   5 -16.947   2.972  -1.150
   33   2HG1  ILE   5          2HG1      ILE   5 -18.214   1.982  -1.874
   34   1HG2  ILE   5          1HG2      ILE   5 -16.501  -0.822  -0.323
   35   2HG2  ILE   5          2HG2      ILE   5 -17.995  -0.404  -1.162
   36   3HG2  ILE   5          3HG2      ILE   5 -16.654  -1.122  -2.054
   37   1HD1  ILE   5          1HD1      ILE   5 -17.217   1.157   0.813
   38   2HD1  ILE   5          2HD1      ILE   5 -18.219   2.607   0.735
   39   3HD1  ILE   5          3HD1      ILE   5 -18.847   1.070   0.142
   40    H    LYS   6           H        LYS   6 -12.612   1.546  -0.336
   41    HA   LYS   6           HA       LYS   6 -11.476  -0.729  -1.599
   42   1HB   LYS   6          1HB       LYS   6 -12.346   1.341  -3.430
   43   2HB   LYS   6          2HB       LYS   6 -10.591   1.176  -3.488
   44   1HG   LYS   6          1HG       LYS   6 -10.680  -0.985  -4.281
   45   2HG   LYS   6          2HG       LYS   6 -12.199  -1.336  -3.455
   46   1HD   LYS   6          1HD       LYS   6 -13.158   0.470  -5.138
   47   2HD   LYS   6          2HD       LYS   6 -11.744   0.016  -6.090
   48   1HE   LYS   6          1HE       LYS   6 -12.887  -1.803  -6.814
   49   2HE   LYS   6          2HE       LYS   6 -12.902  -2.407  -5.144
   50   1HZ   LYS   6          1HZ       LYS   6 -14.743  -0.533  -4.950
   51   2HZ   LYS   6          2HZ       LYS   6 -14.949  -0.903  -6.592
   52   3HZ   LYS   6          3HZ       LYS   6 -15.125  -2.120  -5.419
   53    H    GLU   7           H        GLU   7 -10.915   0.485   0.735
   54    HA   GLU   7           HA       GLU   7  -8.571   2.248   0.328
   55   1HB   GLU   7          1HB       GLU   7 -10.495   1.768   2.495
   56   2HB   GLU   7          2HB       GLU   7  -8.823   1.858   3.052
   57   1HG   GLU   7          1HG       GLU   7  -8.521   4.031   2.127
   58   2HG   GLU   7          2HG       GLU   7  -9.996   3.909   1.167
   59    H    ASN   8           H        ASN   8  -7.857  -0.035  -0.675
   60    HA   ASN   8           HA       ASN   8  -6.856  -1.975   1.244
   61   1HB   ASN   8          1HB       ASN   8  -7.482  -2.278  -1.296
   62   2HB   ASN   8          2HB       ASN   8  -5.822  -1.745  -1.568
   63   1HD2  ASN   8          2HD2      ASN   8  -6.486  -4.377  -2.278
   64   2HD2  ASN   8          1HD2      ASN   8  -5.766  -5.462  -1.189
   65    H    ILE   9           H        ILE   9  -5.928   0.483   2.047
   66    HA   ILE   9           HA       ILE   9  -3.211   0.929   1.045
   67    HB   ILE   9           HB       ILE   9  -4.641   2.085   3.444
   68   1HG1  ILE   9          1HG1      ILE   9  -5.797   2.506   1.259
   69   2HG1  ILE   9          2HG1      ILE   9  -5.177   3.983   1.999
   70   1HG2  ILE   9          1HG2      ILE   9  -2.000   2.530   2.141
   71   2HG2  ILE   9          2HG2      ILE   9  -2.869   3.971   2.668
   72   3HG2  ILE   9          3HG2      ILE   9  -2.461   2.711   3.833
   73   1HD1  ILE   9          1HD1      ILE   9  -3.197   2.674   0.288
   74   2HD1  ILE   9          2HD1      ILE   9  -4.654   3.133  -0.592
   75   3HD1  ILE   9          3HD1      ILE   9  -3.739   4.353   0.293
   76    H    ILE  10           H        ILE  10  -4.551  -1.361   2.938
   77    HA   ILE  10           HA       ILE  10  -2.864  -1.446   5.249
   78    HB   ILE  10           HB       ILE  10  -5.018  -2.742   4.899
   79   1HG1  ILE  10          1HG1      ILE  10  -2.769  -4.607   5.630
   80   2HG1  ILE  10          2HG1      ILE  10  -3.105  -3.191   6.627
   81   1HG2  ILE  10          1HG2      ILE  10  -3.816  -3.615   2.611
   82   2HG2  ILE  10          2HG2      ILE  10  -3.482  -4.967   3.694
   83   3HG2  ILE  10          3HG2      ILE  10  -5.146  -4.460   3.401
   84   1HD1  ILE  10          1HD1      ILE  10  -5.535  -4.662   5.932
   85   2HD1  ILE  10          2HD1      ILE  10  -4.381  -5.653   6.824
   86   3HD1  ILE  10          3HD1      ILE  10  -4.957  -4.136   7.513
   87    H    GLY  11           H        GLY  11  -1.149  -0.879   3.108
   88   1HA   GLY  11          1HA       GLY  11   0.788  -1.622   2.009
   89   2HA   GLY  11          2HA       GLY  11   1.041  -2.511   3.510
   90    H    VAL  12           H        VAL  12  -0.699  -2.742   0.402
   91    HA   VAL  12           HA       VAL  12  -1.234  -5.556   0.615
   92    HB   VAL  12           HB       VAL  12  -1.088  -3.617  -1.692
   93   1HG1  VAL  12          1HG1      VAL  12  -1.601  -6.608  -1.847
   94   2HG1  VAL  12          2HG1      VAL  12  -1.891  -5.466  -3.159
   95   3HG1  VAL  12          3HG1      VAL  12  -0.248  -5.747  -2.582
   96   1HG2  VAL  12          1HG2      VAL  12  -3.065  -4.622   0.121
   97   2HG2  VAL  12          2HG2      VAL  12  -3.240  -3.390  -1.131
   98   3HG2  VAL  12          3HG2      VAL  12  -3.495  -5.093  -1.523
   99    H    SER  13           H        SER  13   1.163  -3.874  -1.431
  100    HA   SER  13           HA       SER  13   2.598  -6.323  -1.886
  101   1HB   SER  13          1HB       SER  13   4.284  -4.859  -2.981
  102   2HB   SER  13          2HB       SER  13   2.650  -4.513  -3.537
  103    HG   SER  13           HG       SER  13   2.609  -2.709  -2.269
  104    H    TYR  14           H        TYR  14   2.750  -6.757   0.563
  105    HA   TYR  14           HA       TYR  14   4.790  -5.176   1.979
  106   1HB   TYR  14          1HB       TYR  14   2.616  -6.626   2.830
  107   2HB   TYR  14          2HB       TYR  14   3.948  -7.733   3.173
  108    HD1  TYR  14           HD1      TYR  14   3.830  -3.992   3.189
  109    HD2  TYR  14           HD2      TYR  14   4.368  -7.587   5.479
  110    HE1  TYR  14           HE1      TYR  14   4.453  -2.637   5.170
  111    HE2  TYR  14           HE2      TYR  14   4.991  -6.232   7.460
  112    HH   TYR  14           HH       TYR  14   4.309  -3.406   8.042
  113    H    ASP  15           H        ASP  15   4.900  -7.584  -0.307
  114    HA   ASP  15           HA       ASP  15   7.685  -8.207   0.397
  115   1HB   ASP  15          1HB       ASP  15   5.843  -9.918   1.410
  116   2HB   ASP  15          2HB       ASP  15   6.079 -10.634  -0.185
  117    H    GLU  16           H        GLU  16   7.046  -6.737  -1.719
  118    HA   GLU  16           HA       GLU  16   7.842  -8.415  -3.968
  119   1HB   GLU  16          1HB       GLU  16   5.136  -8.274  -3.606
  120   2HB   GLU  16          2HB       GLU  16   5.410  -6.884  -4.657
  121   1HG   GLU  16          1HG       GLU  16   6.228  -8.189  -6.403
  122   2HG   GLU  16          2HG       GLU  16   6.724  -9.496  -5.327
  123    H    TYR  17           H        TYR  17   6.659  -5.258  -2.851
  124    HA   TYR  17           HA       TYR  17   8.191  -3.907  -4.999
  125   1HB   TYR  17          1HB       TYR  17   6.102  -3.083  -3.021
  126   2HB   TYR  17          2HB       TYR  17   7.217  -1.850  -3.608
  127    HD1  TYR  17           HD1      TYR  17   5.508  -4.806  -5.179
  128    HD2  TYR  17           HD2      TYR  17   6.284  -0.583  -5.321
  129    HE1  TYR  17           HE1      TYR  17   4.209  -4.635  -7.286
  130    HE2  TYR  17           HE2      TYR  17   4.986  -0.415  -7.428
  131    HH   TYR  17           HH       TYR  17   2.916  -2.090  -8.447
  132    H    ARG  18           H        ARG  18   9.776  -5.334  -3.150
  133    HA   ARG  18           HA       ARG  18  11.571  -5.050  -1.662
  134   1HB   ARG  18          1HB       ARG  18  11.844  -3.274  -3.717
  135   2HB   ARG  18          2HB       ARG  18  11.861  -2.185  -2.330
  136   1HG   ARG  18          1HG       ARG  18  13.504  -4.124  -1.403
  137   2HG   ARG  18          2HG       ARG  18  13.832  -4.255  -3.131
  138   1HD   ARG  18          1HD       ARG  18  15.114  -2.412  -3.036
  139   2HD   ARG  18          2HD       ARG  18  13.735  -1.478  -2.455
  140    HE   ARG  18           HE       ARG  18  14.422  -2.361  -0.129
  141   1HH1  ARG  18          1HH2      ARG  18  16.161  -0.174  -1.510
  142   2HH1  ARG  18          2HH2      ARG  18  17.743  -0.742  -1.091
  143   1HH2  ARG  18          1HH1      ARG  18  16.647  -3.887  -0.122
  144   2HH2  ARG  18          2HH1      ARG  18  18.018  -2.843  -0.297
  145    H    TYR  19           H        TYR  19   8.971  -4.616  -0.571
  146    HA   TYR  19           HA       TYR  19   8.038  -3.843   1.436
  147   1HB   TYR  19          1HB       TYR  19  10.895  -3.696   1.809
  148   2HB   TYR  19          2HB       TYR  19  10.118  -2.331   2.613
  149    HD1  TYR  19           HD1      TYR  19  10.152  -6.037   2.334
  150    HD2  TYR  19           HD2      TYR  19   8.750  -2.635   4.554
  151    HE1  TYR  19           HE1      TYR  19   9.375  -7.539   4.147
  152    HE2  TYR  19           HE2      TYR  19   7.977  -4.139   6.368
  153    HH   TYR  19           HH       TYR  19   8.638  -7.620   6.275
  154    H    ARG  20           H        ARG  20   8.852  -1.991  -1.085
  155    HA   ARG  20           HA       ARG  20   8.683   0.300  -1.625
  156   1HB   ARG  20          1HB       ARG  20   6.386  -0.717  -1.646
  157   2HB   ARG  20          2HB       ARG  20   6.167  -0.110  -0.009
  158   1HG   ARG  20          1HG       ARG  20   5.213   1.438  -1.704
  159   2HG   ARG  20          2HG       ARG  20   6.519   2.194  -0.795
  160   1HD   ARG  20          1HD       ARG  20   7.898   2.297  -2.611
  161   2HD   ARG  20          2HD       ARG  20   7.362   0.733  -3.227
  162    HE   ARG  20           HE       ARG  20   6.095   2.056  -4.711
  163   1HH1  ARG  20          1HH1      ARG  20   6.782   4.031  -2.077
  164   2HH1  ARG  20          2HH1      ARG  20   5.328   4.968  -2.178
  165   1HH2  ARG  20          1HH2      ARG  20   3.892   2.956  -4.611
  166   2HH2  ARG  20          2HH2      ARG  20   3.689   4.356  -3.612
  167    H    SER  21           H        SER  21  10.295   0.007   0.687
  168    HA   SER  21           HA       SER  21   9.337   2.215   2.449
  169   1HB   SER  21          1HB       SER  21  10.606   1.307   4.171
  170   2HB   SER  21          2HB       SER  21  10.213  -0.158   3.276
  171    HG   SER  21           HG       SER  21  12.594   0.808   3.819
  172    H    VAL  22           H        VAL  22  10.322   2.747  -0.176
  173    HA   VAL  22           HA       VAL  22  13.103   3.645   0.088
  174    HB   VAL  22           HB       VAL  22  12.384   2.873  -2.088
  175   1HG1  VAL  22          1HG1      VAL  22  10.181   4.899  -1.683
  176   2HG1  VAL  22          2HG1      VAL  22  10.607   4.309  -3.289
  177   3HG1  VAL  22          3HG1      VAL  22  10.033   3.182  -2.060
  178   1HG2  VAL  22          1HG2      VAL  22  13.847   5.027  -1.773
  179   2HG2  VAL  22          2HG2      VAL  22  13.235   4.638  -3.380
  180   3HG2  VAL  22          3HG2      VAL  22  12.430   5.866  -2.403
  181    H    ILE  23           H        ILE  23  10.270   4.859   1.283
  182    HA   ILE  23           HA       ILE  23  10.937   7.686   0.694
  183    HB   ILE  23           HB       ILE  23   8.669   6.719   2.440
  184   1HG1  ILE  23          1HG1      ILE  23   8.407   5.496   0.377
  185   2HG1  ILE  23          2HG1      ILE  23   7.291   6.860   0.315
  186   1HG2  ILE  23          1HG2      ILE  23   9.483   9.240   1.072
  187   2HG2  ILE  23          2HG2      ILE  23   7.758   8.876   1.117
  188   3HG2  ILE  23          3HG2      ILE  23   8.669   9.014   2.620
  189   1HD1  ILE  23          1HD1      ILE  23   9.030   8.146  -0.958
  190   2HD1  ILE  23          2HD1      ILE  23  10.011   6.681  -1.009
  191   3HD1  ILE  23          3HD1      ILE  23   8.444   6.721  -1.816
  192    H    LYS  24           H        LYS  24  12.705   6.064   2.320
  193    HA   LYS  24           HA       LYS  24  13.611   7.770   4.253
  194   1HB   LYS  24          1HB       LYS  24  11.063   6.625   5.101
  195   2HB   LYS  24          2HB       LYS  24  12.355   6.278   6.250
  196   1HG   LYS  24          1HG       LYS  24  12.973   8.756   6.090
  197   2HG   LYS  24          2HG       LYS  24  11.429   8.984   5.266
  198   1HD   LYS  24          1HD       LYS  24  10.508   9.174   7.317
  199   2HD   LYS  24          2HD       LYS  24  10.769   7.437   7.484
  200   1HE   LYS  24          1HE       LYS  24  11.943   8.169   9.349
  201   2HE   LYS  24          2HE       LYS  24  13.241   8.291   8.144
  202   1HZ   LYS  24          1HZ       LYS  24  11.332  10.464   8.833
  203   2HZ   LYS  24          2HZ       LYS  24  12.945  10.379   9.360
  204   3HZ   LYS  24          3HZ       LYS  24  12.604  10.567   7.711
  205    H    ALA  25           H        ALA  25  14.924   5.972   2.812
  206    HA   ALA  25           HA       ALA  25  15.645   3.808   4.750
  207   1HB   ALA  25          1HB       ALA  25  15.362   3.793   1.764
  208   2HB   ALA  25          2HB       ALA  25  16.563   2.737   2.508
  209   3HB   ALA  25          3HB       ALA  25  14.860   2.578   2.939
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -21.138   4.165  -0.368
    2   2H    MET   1          2H        MET   1 -21.548   5.552  -1.257
    3   3H    MET   1          3H        MET   1 -22.126   4.031  -1.743
    4    HA   MET   1           HA       MET   1 -20.249   3.496  -2.819
    5   1HB   MET   1          1HB       MET   1 -20.796   5.622  -3.761
    6   2HB   MET   1          2HB       MET   1 -20.122   6.487  -2.386
    7   1HG   MET   1          1HG       MET   1 -18.200   6.642  -3.556
    8   2HG   MET   1          2HG       MET   1 -18.007   4.906  -3.318
    9   1HE   MET   1          1HE       MET   1 -18.956   7.768  -5.114
   10   2HE   MET   1          2HE       MET   1 -18.581   7.390  -6.801
   11   3HE   MET   1          3HE       MET   1 -20.234   7.244  -6.207
   12    HA   PRO   2           HA       PRO   2 -16.609   4.795  -0.004
   13   1HB   PRO   2          1HB       PRO   2 -17.177   6.075   2.345
   14   2HB   PRO   2          2HB       PRO   2 -16.867   6.939   0.826
   15   1HG   PRO   2          1HG       PRO   2 -19.445   6.348   2.175
   16   2HG   PRO   2          2HG       PRO   2 -18.948   7.779   1.263
   17   1HD   PRO   2          1HD       PRO   2 -20.561   5.800   0.275
   18   2HD   PRO   2          2HD       PRO   2 -19.570   6.878  -0.729
   19    H    GLY   3           H        GLY   3 -16.384   2.607   0.538
   20   1HA   GLY   3          1HA       GLY   3 -17.229   1.816   3.234
   21   2HA   GLY   3          2HA       GLY   3 -17.989   0.895   1.935
   22    H    THR   4           H        THR   4 -16.365  -0.425   3.741
   23    HA   THR   4           HA       THR   4 -13.690  -0.693   2.523
   24    HB   THR   4           HB       THR   4 -13.926  -0.749   4.991
   25    HG1  THR   4           HG1      THR   4 -13.267  -3.348   4.131
   26   1HG2  THR   4          1HG2      THR   4 -15.540  -3.253   4.432
   27   2HG2  THR   4          2HG2      THR   4 -15.019  -2.718   6.029
   28   3HG2  THR   4          3HG2      THR   4 -16.162  -1.746   5.102
   29    H    ILE   5           H        ILE   5 -15.845  -1.405   0.816
   30    HA   ILE   5           HA       ILE   5 -15.591  -4.380   0.731
   31    HB   ILE   5           HB       ILE   5 -17.698  -2.614  -0.543
   32   1HG1  ILE   5          1HG1      ILE   5 -17.656  -4.326   1.956
   33   2HG1  ILE   5          2HG1      ILE   5 -18.019  -2.605   1.837
   34   1HG2  ILE   5          1HG2      ILE   5 -16.868  -5.315  -1.038
   35   2HG2  ILE   5          2HG2      ILE   5 -18.461  -5.353  -0.286
   36   3HG2  ILE   5          3HG2      ILE   5 -18.209  -4.434  -1.769
   37   1HD1  ILE   5          1HD1      ILE   5 -19.990  -3.232   0.373
   38   2HD1  ILE   5          2HD1      ILE   5 -19.684  -4.911   0.817
   39   3HD1  ILE   5          3HD1      ILE   5 -20.119  -3.736   2.058
   40    H    LYS   6           H        LYS   6 -13.505  -2.729  -0.217
   41    HA   LYS   6           HA       LYS   6 -13.504  -3.533  -3.063
   42   1HB   LYS   6          1HB       LYS   6 -12.814  -1.345  -3.858
   43   2HB   LYS   6          2HB       LYS   6 -14.329  -1.156  -2.976
   44   1HG   LYS   6          1HG       LYS   6 -12.492  -0.873  -0.962
   45   2HG   LYS   6          2HG       LYS   6 -11.636  -0.147  -2.323
   46   1HD   LYS   6          1HD       LYS   6 -14.453   0.647  -2.210
   47   2HD   LYS   6          2HD       LYS   6 -13.551   1.122  -0.770
   48   1HE   LYS   6          1HE       LYS   6 -12.574   2.803  -1.925
   49   2HE   LYS   6          2HE       LYS   6 -11.930   1.637  -3.098
   50   1HZ   LYS   6          1HZ       LYS   6 -14.269   1.563  -4.019
   51   2HZ   LYS   6          2HZ       LYS   6 -14.580   2.962  -3.106
   52   3HZ   LYS   6          3HZ       LYS   6 -13.394   2.989  -4.320
   53    H    GLU   7           H        GLU   7 -12.112  -4.786  -1.070
   54    HA   GLU   7           HA       GLU   7  -9.951  -5.357  -0.343
   55   1HB   GLU   7          1HB       GLU   7  -9.476  -4.227  -3.106
   56   2HB   GLU   7          2HB       GLU   7  -8.170  -4.917  -2.140
   57   1HG   GLU   7          1HG       GLU   7  -9.338  -7.047  -1.996
   58   2HG   GLU   7          2HG       GLU   7 -10.740  -6.372  -2.828
   59    H    ASN   8           H        ASN   8 -10.533  -3.326   1.136
   60    HA   ASN   8           HA       ASN   8  -8.361  -1.303   0.755
   61   1HB   ASN   8          1HB       ASN   8 -10.873  -0.592   0.723
   62   2HB   ASN   8          2HB       ASN   8 -10.794  -0.844   2.466
   63   1HD2  ASN   8          2HD2      ASN   8  -7.752  -0.002   2.139
   64   2HD2  ASN   8          1HD2      ASN   8  -7.845   1.692   2.144
   65    H    ILE   9           H        ILE   9  -7.712  -3.721   1.971
   66    HA   ILE   9           HA       ILE   9  -7.808  -3.174   4.888
   67    HB   ILE   9           HB       ILE   9  -7.313  -5.616   3.218
   68   1HG1  ILE   9          1HG1      ILE   9  -8.764  -6.552   5.114
   69   2HG1  ILE   9          2HG1      ILE   9  -8.960  -4.882   5.646
   70   1HG2  ILE   9          1HG2      ILE   9  -6.183  -5.086   5.969
   71   2HG2  ILE   9          2HG2      ILE   9  -6.575  -6.721   5.437
   72   3HG2  ILE   9          3HG2      ILE   9  -5.370  -5.776   4.563
   73   1HD1  ILE   9          1HD1      ILE   9  -9.633  -4.435   3.160
   74   2HD1  ILE   9          2HD1      ILE   9  -9.905  -6.176   3.100
   75   3HD1  ILE   9          3HD1      ILE   9 -10.811  -5.179   4.239
   76    H    ILE  10           H        ILE  10  -5.734  -3.005   2.174
   77    HA   ILE  10           HA       ILE  10  -3.430  -2.482   3.998
   78    HB   ILE  10           HB       ILE  10  -3.341  -4.521   2.379
   79   1HG1  ILE  10          1HG1      ILE  10  -0.907  -3.299   1.672
   80   2HG1  ILE  10          2HG1      ILE  10  -1.366  -2.566   3.210
   81   1HG2  ILE  10          1HG2      ILE  10  -4.137  -2.891   0.473
   82   2HG2  ILE  10          2HG2      ILE  10  -2.424  -2.479   0.380
   83   3HG2  ILE  10          3HG2      ILE  10  -2.947  -4.142   0.115
   84   1HD1  ILE  10          1HD1      ILE  10  -1.554  -5.547   2.841
   85   2HD1  ILE  10          2HD1      ILE  10  -0.010  -4.797   3.246
   86   3HD1  ILE  10          3HD1      ILE  10  -1.386  -4.625   4.335
   87    H    GLY  11           H        GLY  11  -5.496  -0.653   3.033
   88   1HA   GLY  11          1HA       GLY  11  -5.605   1.569   2.290
   89   2HA   GLY  11          2HA       GLY  11  -3.844   1.584   2.361
   90    H    VAL  12           H        VAL  12  -4.778  -0.935   0.373
   91    HA   VAL  12           HA       VAL  12  -4.829  -1.259  -1.928
   92    HB   VAL  12           HB       VAL  12  -6.153   1.222  -1.363
   93   1HG1  VAL  12          1HG1      VAL  12  -4.624   1.095  -3.976
   94   2HG1  VAL  12          2HG1      VAL  12  -6.027   2.136  -3.733
   95   3HG1  VAL  12          3HG1      VAL  12  -4.573   2.378  -2.766
   96   1HG2  VAL  12          1HG2      VAL  12  -6.517  -1.229  -2.825
   97   2HG2  VAL  12          2HG2      VAL  12  -7.742  -0.108  -2.230
   98   3HG2  VAL  12          3HG2      VAL  12  -7.022   0.136  -3.822
   99    H    SER  13           H        SER  13  -3.397   1.913  -1.166
  100    HA   SER  13           HA       SER  13  -1.422   1.677  -3.255
  101   1HB   SER  13          1HB       SER  13  -2.378   3.736  -1.600
  102   2HB   SER  13          2HB       SER  13  -0.681   3.548  -1.168
  103    HG   SER  13           HG       SER  13  -0.103   4.145  -3.132
  104    H    TYR  14           H        TYR  14  -0.331  -0.322  -2.780
  105    HA   TYR  14           HA       TYR  14   1.728  -0.035  -0.673
  106   1HB   TYR  14          1HB       TYR  14  -0.103  -1.272   0.410
  107   2HB   TYR  14          2HB       TYR  14  -0.099  -2.444  -0.907
  108    HD1  TYR  14           HD1      TYR  14   2.779  -0.794   0.820
  109    HD2  TYR  14           HD2      TYR  14   0.670  -4.456   0.046
  110    HE1  TYR  14           HE1      TYR  14   4.585  -2.072   1.943
  111    HE2  TYR  14           HE2      TYR  14   2.475  -5.733   1.169
  112    HH   TYR  14           HH       TYR  14   5.160  -4.084   2.786
  113    H    ASP  15           H        ASP  15   2.182   0.226  -3.386
  114    HA   ASP  15           HA       ASP  15   3.494  -2.377  -4.052
  115   1HB   ASP  15          1HB       ASP  15   1.541  -1.440  -5.557
  116   2HB   ASP  15          2HB       ASP  15   2.800  -0.370  -6.175
  117    H    GLU  16           H        GLU  16   4.666  -0.351  -2.454
  118    HA   GLU  16           HA       GLU  16   7.025   0.259  -4.140
  119   1HB   GLU  16          1HB       GLU  16   5.229   2.253  -3.793
  120   2HB   GLU  16          2HB       GLU  16   6.166   2.447  -2.313
  121   1HG   GLU  16          1HG       GLU  16   8.239   2.601  -3.606
  122   2HG   GLU  16          2HG       GLU  16   7.348   2.320  -5.102
  123    H    TYR  17           H        TYR  17   6.633  -1.712  -2.153
  124    HA   TYR  17           HA       TYR  17   7.509  -2.480  -0.119
  125   1HB   TYR  17          1HB       TYR  17   9.554  -1.374  -1.630
  126   2HB   TYR  17          2HB       TYR  17   9.755  -0.613  -0.051
  127    HD1  TYR  17           HD1      TYR  17   8.806  -2.665   1.802
  128    HD2  TYR  17           HD2      TYR  17  11.176  -3.071  -1.757
  129    HE1  TYR  17           HE1      TYR  17   9.778  -4.767   2.689
  130    HE2  TYR  17           HE2      TYR  17  12.149  -5.172  -0.871
  131    HH   TYR  17           HH       TYR  17  10.845  -6.871   1.669
  132    H    ARG  18           H        ARG  18   5.538  -0.493   0.165
  133    HA   ARG  18           HA       ARG  18   4.797   1.212   1.627
  134   1HB   ARG  18          1HB       ARG  18   4.714  -0.639   3.157
  135   2HB   ARG  18          2HB       ARG  18   6.464  -0.613   3.379
  136   1HG   ARG  18          1HG       ARG  18   6.377   1.100   4.875
  137   2HG   ARG  18          2HG       ARG  18   5.098   1.934   3.992
  138   1HD   ARG  18          1HD       ARG  18   3.414   0.458   4.903
  139   2HD   ARG  18          2HD       ARG  18   4.647  -0.567   5.639
  140    HE   ARG  18           HE       ARG  18   5.210   1.729   6.886
  141   1HH1  ARG  18          1HH2      ARG  18   3.181  -0.379   7.931
  142   2HH1  ARG  18          2HH2      ARG  18   1.886   0.663   8.416
  143   1HH2  ARG  18          1HH1      ARG  18   3.101   3.416   6.693
  144   2HH2  ARG  18          2HH1      ARG  18   1.841   2.812   7.716
  145    H    TYR  19           H        TYR  19   6.572   2.431   0.177
  146    HA   TYR  19           HA       TYR  19   7.919   4.359   0.261
  147   1HB   TYR  19          1HB       TYR  19   6.921   4.569   2.659
  148   2HB   TYR  19          2HB       TYR  19   8.443   3.851   3.187
  149    HD1  TYR  19           HD1      TYR  19   6.916   6.743   1.436
  150    HD2  TYR  19           HD2      TYR  19  10.513   5.080   3.094
  151    HE1  TYR  19           HE1      TYR  19   8.032   8.947   1.223
  152    HE2  TYR  19           HE2      TYR  19  11.629   7.286   2.880
  153    HH   TYR  19           HH       TYR  19  10.535   9.898   2.785
  154    H    ARG  20           H        ARG  20   9.043   2.339  -0.849
  155    HA   ARG  20           HA       ARG  20  11.261   1.117   0.513
  156   1HB   ARG  20          1HB       ARG  20  10.006   0.452  -1.714
  157   2HB   ARG  20          2HB       ARG  20  11.231   1.476  -2.461
  158   1HG   ARG  20          1HG       ARG  20  12.974   0.152  -1.184
  159   2HG   ARG  20          2HG       ARG  20  11.688  -0.971  -0.741
  160   1HD   ARG  20          1HD       ARG  20  12.825  -1.806  -2.731
  161   2HD   ARG  20          2HD       ARG  20  11.193  -1.299  -3.165
  162    HE   ARG  20           HE       ARG  20  13.337   0.702  -3.542
  163   1HH1  ARG  20          1HH1      ARG  20  12.639  -2.101  -5.131
  164   2HH1  ARG  20          2HH1      ARG  20  12.144  -1.374  -6.622
  165   1HH2  ARG  20          1HH2      ARG  20  12.081   1.845  -5.334
  166   2HH2  ARG  20          2HH2      ARG  20  11.828   0.863  -6.738
  167    H    SER  21           H        SER  21  11.378   3.954   0.894
  168    HA   SER  21           HA       SER  21  13.867   4.588  -0.606
  169   1HB   SER  21          1HB       SER  21  12.253   6.741   0.712
  170   2HB   SER  21          2HB       SER  21  13.269   6.835  -0.723
  171    HG   SER  21           HG       SER  21  10.972   6.886  -1.140
  172    H    VAL  22           H        VAL  22  13.266   3.123   1.920
  173    HA   VAL  22           HA       VAL  22  15.149   4.646   3.650
  174    HB   VAL  22           HB       VAL  22  12.498   3.445   4.439
  175   1HG1  VAL  22          1HG1      VAL  22  14.994   3.519   5.966
  176   2HG1  VAL  22          2HG1      VAL  22  13.690   4.396   6.766
  177   3HG1  VAL  22          3HG1      VAL  22  13.478   2.699   6.338
  178   1HG2  VAL  22          1HG2      VAL  22  13.391   6.044   3.878
  179   2HG2  VAL  22          2HG2      VAL  22  11.881   5.603   4.676
  180   3HG2  VAL  22          3HG2      VAL  22  13.314   5.965   5.639
  181    H    ILE  23           H        ILE  23  13.887   1.584   2.586
  182    HA   ILE  23           HA       ILE  23  16.138   0.225   4.002
  183    HB   ILE  23           HB       ILE  23  13.668  -1.196   3.019
  184   1HG1  ILE  23          1HG1      ILE  23  13.165  -0.919   5.662
  185   2HG1  ILE  23          2HG1      ILE  23  13.962   0.623   5.355
  186   1HG2  ILE  23          1HG2      ILE  23  16.074  -1.828   4.535
  187   2HG2  ILE  23          2HG2      ILE  23  14.616  -2.258   5.430
  188   3HG2  ILE  23          3HG2      ILE  23  14.889  -2.919   3.817
  189   1HD1  ILE  23          1HD1      ILE  23  11.764  -0.382   3.552
  190   2HD1  ILE  23          2HD1      ILE  23  11.398   0.519   5.024
  191   3HD1  ILE  23          3HD1      ILE  23  12.356   1.268   3.746
  192    H    LYS  24           H        LYS  24  16.896   1.346   1.699
  193    HA   LYS  24           HA       LYS  24  16.433  -0.471  -0.568
  194   1HB   LYS  24          1HB       LYS  24  16.900   2.167  -0.518
  195   2HB   LYS  24          2HB       LYS  24  18.569   1.612  -0.645
  196   1HG   LYS  24          1HG       LYS  24  17.326   0.021  -2.500
  197   2HG   LYS  24          2HG       LYS  24  16.405   1.518  -2.645
  198   1HD   LYS  24          1HD       LYS  24  18.366   2.793  -3.123
  199   2HD   LYS  24          2HD       LYS  24  19.429   1.473  -2.634
  200   1HE   LYS  24          1HE       LYS  24  18.960   0.211  -4.577
  201   2HE   LYS  24          2HE       LYS  24  17.482   1.132  -4.923
  202   1HZ   LYS  24          1HZ       LYS  24  19.103   3.132  -4.952
  203   2HZ   LYS  24          2HZ       LYS  24  20.293   1.954  -5.238
  204   3HZ   LYS  24          3HZ       LYS  24  18.997   2.137  -6.321
  205    H    ALA  25           H        ALA  25  17.464  -2.089   1.265
  206    HA   ALA  25           HA       ALA  25  20.391  -2.107   1.221
  207   1HB   ALA  25          1HB       ALA  25  18.742  -3.041   3.053
  208   2HB   ALA  25          2HB       ALA  25  18.736  -4.480   2.031
  209   3HB   ALA  25          3HB       ALA  25  20.251  -3.892   2.717
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -15.746  12.440   3.207
    2   2H    MET   1          2H        MET   1 -14.375  13.370   3.583
    3   3H    MET   1          3H        MET   1 -14.848  13.164   1.963
    4    HA   MET   1           HA       MET   1 -13.036  11.701   2.251
    5   1HB   MET   1          1HB       MET   1 -14.451  11.324   4.879
    6   2HB   MET   1          2HB       MET   1 -13.328  10.089   4.309
    7   1HG   MET   1          1HG       MET   1 -11.716  12.112   3.902
    8   2HG   MET   1          2HG       MET   1 -12.773  12.952   5.037
    9   1HE   MET   1          1HE       MET   1 -12.416  13.264   6.895
   10   2HE   MET   1          2HE       MET   1 -12.576  12.001   8.113
   11   3HE   MET   1          3HE       MET   1 -11.001  12.740   7.803
   12    HA   PRO   2           HA       PRO   2 -15.417   8.634   0.184
   13   1HB   PRO   2          1HB       PRO   2 -13.521   6.681  -0.086
   14   2HB   PRO   2          2HB       PRO   2 -13.503   8.181  -1.035
   15   1HG   PRO   2          1HG       PRO   2 -11.905   7.438   1.359
   16   2HG   PRO   2          2HG       PRO   2 -11.430   8.362  -0.075
   17   1HD   PRO   2          1HD       PRO   2 -12.049   9.494   2.341
   18   2HD   PRO   2          2HD       PRO   2 -12.207  10.330   0.781
   19    H    GLY   3           H        GLY   3 -16.001   6.207   0.438
   20   1HA   GLY   3          1HA       GLY   3 -16.187   5.592   3.353
   21   2HA   GLY   3          2HA       GLY   3 -17.315   5.011   2.128
   22    H    THR   4           H        THR   4 -17.040   2.900   1.627
   23    HA   THR   4           HA       THR   4 -14.349   1.692   2.072
   24    HB   THR   4           HB       THR   4 -16.361   0.734   3.287
   25    HG1  THR   4           HG1      THR   4 -15.822  -1.468   2.123
   26   1HG2  THR   4          1HG2      THR   4 -17.663   1.048   0.944
   27   2HG2  THR   4          2HG2      THR   4 -17.169  -0.637   0.777
   28   3HG2  THR   4          3HG2      THR   4 -18.152  -0.138   2.154
   29    H    ILE   5           H        ILE   5 -14.989   3.226  -0.273
   30    HA   ILE   5           HA       ILE   5 -15.329   3.003  -2.635
   31    HB   ILE   5           HB       ILE   5 -12.797   1.689  -1.705
   32   1HG1  ILE   5          1HG1      ILE   5 -12.042   3.911  -2.973
   33   2HG1  ILE   5          2HG1      ILE   5 -13.697   4.387  -2.596
   34   1HG2  ILE   5          1HG2      ILE   5 -13.939   1.762  -4.424
   35   2HG2  ILE   5          2HG2      ILE   5 -12.309   2.428  -4.317
   36   3HG2  ILE   5          3HG2      ILE   5 -12.623   0.774  -3.792
   37   1HD1  ILE   5          1HD1      ILE   5 -12.498   3.119  -0.297
   38   2HD1  ILE   5          2HD1      ILE   5 -11.471   4.439  -0.859
   39   3HD1  ILE   5          3HD1      ILE   5 -13.156   4.748  -0.442
   40    H    LYS   6           H        LYS   6 -17.200   1.326  -1.924
   41    HA   LYS   6           HA       LYS   6 -18.275  -0.731  -2.349
   42   1HB   LYS   6          1HB       LYS   6 -16.674  -0.149  -4.840
   43   2HB   LYS   6          2HB       LYS   6 -17.749  -1.544  -4.740
   44   1HG   LYS   6          1HG       LYS   6 -19.412   0.365  -3.797
   45   2HG   LYS   6          2HG       LYS   6 -18.411   1.351  -4.863
   46   1HD   LYS   6          1HD       LYS   6 -18.962  -1.009  -6.304
   47   2HD   LYS   6          2HD       LYS   6 -20.489  -0.534  -5.560
   48   1HE   LYS   6          1HE       LYS   6 -20.421   1.638  -6.575
   49   2HE   LYS   6          2HE       LYS   6 -18.732   1.420  -7.078
   50   1HZ   LYS   6          1HZ       LYS   6 -20.743  -0.563  -7.892
   51   2HZ   LYS   6          2HZ       LYS   6 -20.652   0.905  -8.743
   52   3HZ   LYS   6          3HZ       LYS   6 -19.299  -0.115  -8.667
   53    H    GLU   7           H        GLU   7 -16.067  -1.149  -0.691
   54    HA   GLU   7           HA       GLU   7 -14.423  -2.739  -0.094
   55   1HB   GLU   7          1HB       GLU   7 -16.254  -4.688  -1.490
   56   2HB   GLU   7          2HB       GLU   7 -15.323  -4.923  -0.010
   57   1HG   GLU   7          1HG       GLU   7 -16.732  -3.190   1.103
   58   2HG   GLU   7          2HG       GLU   7 -17.711  -3.092  -0.360
   59    H    ASN   8           H        ASN   8 -13.348  -1.561  -2.230
   60    HA   ASN   8           HA       ASN   8 -12.602  -3.801  -4.067
   61   1HB   ASN   8          1HB       ASN   8 -13.759  -1.659  -4.987
   62   2HB   ASN   8          2HB       ASN   8 -12.193  -0.892  -4.721
   63   1HD2  ASN   8          2HD2      ASN   8 -10.794  -1.041  -6.483
   64   2HD2  ASN   8          1HD2      ASN   8 -10.849  -2.251  -7.672
   65    H    ILE   9           H        ILE   9 -11.323  -3.575  -1.576
   66    HA   ILE   9           HA       ILE   9  -8.629  -2.593  -2.403
   67    HB   ILE   9           HB       ILE   9  -9.822  -2.622   0.379
   68   1HG1  ILE   9          1HG1      ILE   9 -10.721  -0.797  -0.953
   69   2HG1  ILE   9          2HG1      ILE   9  -9.527  -0.133   0.163
   70   1HG2  ILE   9          1HG2      ILE   9  -7.088  -1.838  -0.666
   71   2HG2  ILE   9          2HG2      ILE   9  -7.679  -1.401   0.936
   72   3HG2  ILE   9          3HG2      ILE   9  -7.459  -3.098   0.510
   73   1HD1  ILE   9          1HD1      ILE   9  -7.937  -0.737  -1.964
   74   2HD1  ILE   9          2HD1      ILE   9  -9.444  -0.334  -2.789
   75   3HD1  ILE   9          3HD1      ILE   9  -8.682   0.842  -1.717
   76    H    ILE  10           H        ILE  10 -10.286  -4.786  -0.214
   77    HA   ILE  10           HA       ILE  10  -9.435  -6.766   0.822
   78    HB   ILE  10           HB       ILE  10 -10.734  -7.263  -1.333
   79   1HG1  ILE  10          1HG1      ILE  10  -9.939  -9.677  -1.305
   80   2HG1  ILE  10          2HG1      ILE  10  -8.678  -9.166  -0.183
   81   1HG2  ILE  10          1HG2      ILE  10  -8.351  -6.650  -2.550
   82   2HG2  ILE  10          2HG2      ILE  10  -8.286  -8.411  -2.512
   83   3HG2  ILE  10          3HG2      ILE  10  -9.637  -7.594  -3.297
   84   1HD1  ILE  10          1HD1      ILE  10 -10.835  -8.053   1.015
   85   2HD1  ILE  10          2HD1      ILE  10 -11.601  -9.448   0.257
   86   3HD1  ILE  10          3HD1      ILE  10 -10.266  -9.681   1.385
   87    H    GLY  11           H        GLY  11  -7.253  -5.083   0.880
   88   1HA   GLY  11          1HA       GLY  11  -5.046  -6.604   1.274
   89   2HA   GLY  11          2HA       GLY  11  -5.010  -6.428  -0.479
   90    H    VAL  12           H        VAL  12  -4.462  -4.833   2.551
   91    HA   VAL  12           HA       VAL  12  -3.796  -2.302   1.113
   92    HB   VAL  12           HB       VAL  12  -4.594  -2.950   3.933
   93   1HG1  VAL  12          1HG1      VAL  12  -2.561  -0.933   3.120
   94   2HG1  VAL  12          2HG1      VAL  12  -3.817  -0.375   4.226
   95   3HG1  VAL  12          3HG1      VAL  12  -2.788  -1.734   4.674
   96   1HG2  VAL  12          1HG2      VAL  12  -5.350  -1.097   1.729
   97   2HG2  VAL  12          2HG2      VAL  12  -6.379  -2.048   2.800
   98   3HG2  VAL  12          3HG2      VAL  12  -5.632  -0.561   3.385
   99    H    SER  13           H        SER  13  -2.500  -3.502   4.162
  100    HA   SER  13           HA       SER  13   0.169  -2.785   3.431
  101   1HB   SER  13          1HB       SER  13  -1.172  -3.579   5.783
  102   2HB   SER  13          2HB       SER  13   0.112  -4.761   5.541
  103    HG   SER  13           HG       SER  13   0.591  -2.680   6.695
  104    H    TYR  14           H        TYR  14   0.731  -3.913   1.505
  105    HA   TYR  14           HA       TYR  14   1.050  -6.868   1.854
  106   1HB   TYR  14          1HB       TYR  14  -0.357  -5.411  -0.172
  107   2HB   TYR  14          2HB       TYR  14   1.046  -6.178  -0.914
  108    HD1  TYR  14           HD1      TYR  14  -1.670  -6.955   1.560
  109    HD2  TYR  14           HD2      TYR  14   0.852  -8.397  -1.605
  110    HE1  TYR  14           HE1      TYR  14  -2.829  -9.145   1.634
  111    HE2  TYR  14           HE2      TYR  14  -0.309 -10.588  -1.530
  112    HH   TYR  14           HH       TYR  14  -3.138 -11.099   0.527
  113    H    ASP  15           H        ASP  15   3.067  -5.175   2.717
  114    HA   ASP  15           HA       ASP  15   5.338  -4.693   2.412
  115   1HB   ASP  15          1HB       ASP  15   5.650  -7.043   2.220
  116   2HB   ASP  15          2HB       ASP  15   4.900  -7.087   0.628
  117    H    GLU  16           H        GLU  16   4.072  -2.759   1.268
  118    HA   GLU  16           HA       GLU  16   4.262  -2.580  -1.606
  119   1HB   GLU  16          1HB       GLU  16   3.167  -1.017   0.458
  120   2HB   GLU  16          2HB       GLU  16   4.409  -0.002  -0.275
  121   1HG   GLU  16          1HG       GLU  16   2.562   0.462  -1.628
  122   2HG   GLU  16          2HG       GLU  16   3.358  -0.822  -2.538
  123    H    TYR  17           H        TYR  17   6.422  -1.770   1.068
  124    HA   TYR  17           HA       TYR  17   8.676  -1.696  -0.784
  125   1HB   TYR  17          1HB       TYR  17   7.916   0.812   0.745
  126   2HB   TYR  17          2HB       TYR  17   9.406   0.594  -0.171
  127    HD1  TYR  17           HD1      TYR  17   9.317   0.279  -2.651
  128    HD2  TYR  17           HD2      TYR  17   5.835   1.288  -0.347
  129    HE1  TYR  17           HE1      TYR  17   8.143   0.965  -4.725
  130    HE2  TYR  17           HE2      TYR  17   4.662   1.974  -2.420
  131    HH   TYR  17           HH       TYR  17   5.285   1.109  -5.254
  132    H    ARG  18           H        ARG  18   7.710  -3.076   1.650
  133    HA   ARG  18           HA       ARG  18   8.424  -3.543   3.895
  134   1HB   ARG  18          1HB       ARG  18   9.719  -4.892   2.084
  135   2HB   ARG  18          2HB       ARG  18  11.081  -3.860   2.521
  136   1HG   ARG  18          1HG       ARG  18  10.195  -4.576   4.993
  137   2HG   ARG  18          2HG       ARG  18   9.779  -6.022   4.071
  138   1HD   ARG  18          1HD       ARG  18  12.511  -4.723   4.275
  139   2HD   ARG  18          2HD       ARG  18  12.034  -6.292   4.924
  140    HE   ARG  18           HE       ARG  18  11.671  -6.059   2.032
  141   1HH1  ARG  18          1HH1      ARG  18  12.483  -8.424   3.935
  142   2HH1  ARG  18          2HH1      ARG  18  14.067  -8.757   3.314
  143   1HH2  ARG  18          1HH2      ARG  18  14.280  -5.799   1.520
  144   2HH2  ARG  18          2HH2      ARG  18  15.081  -7.274   1.948
  145    H    TYR  19           H        TYR  19   8.487  -0.734   3.697
  146    HA   TYR  19           HA       TYR  19   9.430   1.056   4.907
  147   1HB   TYR  19          1HB       TYR  19  10.181  -1.217   6.331
  148   2HB   TYR  19          2HB       TYR  19  11.710  -0.388   6.033
  149    HD1  TYR  19           HD1      TYR  19  12.107   1.882   6.890
  150    HD2  TYR  19           HD2      TYR  19   8.429  -0.194   7.677
  151    HE1  TYR  19           HE1      TYR  19  11.555   3.530   8.659
  152    HE2  TYR  19           HE2      TYR  19   7.877   1.455   9.444
  153    HH   TYR  19           HH       TYR  19   8.708   3.126  10.723
  154    H    ARG  20           H        ARG  20  10.110   0.893   2.285
  155    HA   ARG  20           HA       ARG  20  13.048   0.982   2.060
  156   1HB   ARG  20          1HB       ARG  20  11.539  -0.080   0.301
  157   2HB   ARG  20          2HB       ARG  20  11.012   1.554  -0.105
  158   1HG   ARG  20          1HG       ARG  20  13.183   2.202  -0.801
  159   2HG   ARG  20          2HG       ARG  20  13.936   0.811  -0.021
  160   1HD   ARG  20          1HD       ARG  20  13.865   0.345  -2.382
  161   2HD   ARG  20          2HD       ARG  20  12.640  -0.665  -1.616
  162    HE   ARG  20           HE       ARG  20  11.279   1.651  -2.339
  163   1HH1  ARG  20          1HH1      ARG  20  12.013  -1.339  -3.578
  164   2HH1  ARG  20          2HH1      ARG  20  11.763  -0.928  -5.242
  165   1HH2  ARG  20          1HH2      ARG  20  11.469   2.472  -4.631
  166   2HH2  ARG  20          2HH2      ARG  20  11.454   1.229  -5.837
  167    H    SER  21           H        SER  21  11.901   2.954   3.739
  168    HA   SER  21           HA       SER  21  11.832   5.439   2.144
  169   1HB   SER  21          1HB       SER  21  10.468   4.790   4.366
  170   2HB   SER  21          2HB       SER  21  11.888   5.503   5.129
  171    HG   SER  21           HG       SER  21  10.403   6.734   3.046
  172    H    VAL  22           H        VAL  22  14.262   3.880   2.176
  173    HA   VAL  22           HA       VAL  22  16.073   5.902   3.429
  174    HB   VAL  22           HB       VAL  22  16.574   2.913   3.297
  175   1HG1  VAL  22          1HG1      VAL  22  18.345   5.100   3.506
  176   2HG1  VAL  22          2HG1      VAL  22  18.205   4.442   5.137
  177   3HG1  VAL  22          3HG1      VAL  22  18.714   3.402   3.806
  178   1HG2  VAL  22          1HG2      VAL  22  15.551   4.745   5.454
  179   2HG2  VAL  22          2HG2      VAL  22  14.990   3.134   5.010
  180   3HG2  VAL  22          3HG2      VAL  22  16.507   3.329   5.890
  181    H    ILE  23           H        ILE  23  15.519   6.448   0.941
  182    HA   ILE  23           HA       ILE  23  16.188   6.426  -1.313
  183    HB   ILE  23           HB       ILE  23  18.499   6.812   0.516
  184   1HG1  ILE  23          1HG1      ILE  23  18.112   8.808  -1.514
  185   2HG1  ILE  23          2HG1      ILE  23  16.551   8.382  -0.812
  186   1HG2  ILE  23          1HG2      ILE  23  18.716   6.173  -2.389
  187   2HG2  ILE  23          2HG2      ILE  23  19.664   7.542  -1.809
  188   3HG2  ILE  23          3HG2      ILE  23  19.899   5.944  -1.102
  189   1HD1  ILE  23          1HD1      ILE  23  17.813   8.568   1.473
  190   2HD1  ILE  23          2HD1      ILE  23  18.985   9.508   0.548
  191   3HD1  ILE  23          3HD1      ILE  23  17.309  10.044   0.652
  192    H    LYS  24           H        LYS  24  15.417   4.145  -1.513
  193    HA   LYS  24           HA       LYS  24  15.726   1.882  -2.103
  194   1HB   LYS  24          1HB       LYS  24  17.569   3.580  -3.664
  195   2HB   LYS  24          2HB       LYS  24  17.973   1.862  -3.655
  196   1HG   LYS  24          1HG       LYS  24  15.870   1.248  -4.563
  197   2HG   LYS  24          2HG       LYS  24  15.162   2.822  -4.197
  198   1HD   LYS  24          1HD       LYS  24  16.866   3.823  -5.803
  199   2HD   LYS  24          2HD       LYS  24  17.232   2.172  -6.305
  200   1HE   LYS  24          1HE       LYS  24  15.568   2.694  -7.850
  201   2HE   LYS  24          2HE       LYS  24  14.558   2.061  -6.535
  202   1HZ   LYS  24          1HZ       LYS  24  15.367   4.845  -6.314
  203   2HZ   LYS  24          2HZ       LYS  24  14.244   4.501  -7.541
  204   3HZ   LYS  24          3HZ       LYS  24  13.887   4.114  -5.926
  205    H    ALA  25           H        ALA  25  16.276   0.709  -0.255
  206    HA   ALA  25           HA       ALA  25  18.825   0.870   1.058
  207   1HB   ALA  25          1HB       ALA  25  16.476  -0.958   1.145
  208   2HB   ALA  25          2HB       ALA  25  18.006  -1.612   1.730
  209   3HB   ALA  25          3HB       ALA  25  17.329  -0.159   2.466
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -19.607  -0.362   7.593
    2   2H    MET   1          2H        MET   1 -20.800  -1.321   8.327
    3   3H    MET   1          3H        MET   1 -19.201  -1.365   8.898
    4    HA   MET   1           HA       MET   1 -18.609  -2.921   7.435
    5   1HB   MET   1          1HB       MET   1 -20.636  -3.952   8.009
    6   2HB   MET   1          2HB       MET   1 -21.604  -2.711   7.222
    7   1HG   MET   1          1HG       MET   1 -21.615  -3.858   5.280
    8   2HG   MET   1          2HG       MET   1 -19.862  -4.035   5.309
    9   1HE   MET   1          1HE       MET   1 -23.101  -4.899   6.683
   10   2HE   MET   1          2HE       MET   1 -23.198  -6.278   5.590
   11   3HE   MET   1          3HE       MET   1 -23.038  -6.535   7.333
   12    HA   PRO   2           HA       PRO   2 -19.859  -1.265   3.111
   13   1HB   PRO   2          1HB       PRO   2 -21.443   0.970   3.012
   14   2HB   PRO   2          2HB       PRO   2 -22.097  -0.681   3.026
   15   1HG   PRO   2          1HG       PRO   2 -21.834   1.267   5.269
   16   2HG   PRO   2          2HG       PRO   2 -23.166   0.165   4.881
   17   1HD   PRO   2          1HD       PRO   2 -21.354  -0.363   6.820
   18   2HD   PRO   2          2HD       PRO   2 -22.143  -1.637   5.863
   19    H    GLY   3           H        GLY   3 -18.016  -0.263   2.393
   20   1HA   GLY   3          1HA       GLY   3 -16.904   2.008   3.919
   21   2HA   GLY   3          2HA       GLY   3 -16.089   1.138   2.618
   22    H    THR   4           H        THR   4 -15.612   3.421   1.882
   23    HA   THR   4           HA       THR   4 -17.902   4.872   0.726
   24    HB   THR   4           HB       THR   4 -16.151   6.194   1.777
   25    HG1  THR   4           HG1      THR   4 -17.049   7.156  -0.017
   26   1HG2  THR   4          1HG2      THR   4 -14.379   4.608  -0.067
   27   2HG2  THR   4          2HG2      THR   4 -13.862   6.173   0.563
   28   3HG2  THR   4          3HG2      THR   4 -14.226   4.851   1.672
   29    H    ILE   5           H        ILE   5 -17.441   2.285  -0.360
   30    HA   ILE   5           HA       ILE   5 -16.883   1.158  -2.362
   31    HB   ILE   5           HB       ILE   5 -19.087   2.348  -2.655
   32   1HG1  ILE   5          1HG1      ILE   5 -18.979   2.193  -5.205
   33   2HG1  ILE   5          2HG1      ILE   5 -17.269   1.810  -5.010
   34   1HG2  ILE   5          1HG2      ILE   5 -17.210   4.456  -3.586
   35   2HG2  ILE   5          2HG2      ILE   5 -18.665   4.225  -4.554
   36   3HG2  ILE   5          3HG2      ILE   5 -18.798   4.610  -2.838
   37   1HD1  ILE   5          1HD1      ILE   5 -18.107   0.015  -3.317
   38   2HD1  ILE   5          2HD1      ILE   5 -19.669   0.231  -4.107
   39   3HD1  ILE   5          3HD1      ILE   5 -18.277  -0.314  -5.041
   40    H    LYS   6           H        LYS   6 -14.568   2.539  -1.557
   41    HA   LYS   6           HA       LYS   6 -13.395   3.069  -4.199
   42   1HB   LYS   6          1HB       LYS   6 -14.285   5.265  -3.010
   43   2HB   LYS   6          2HB       LYS   6 -12.789   5.103  -2.088
   44   1HG   LYS   6          1HG       LYS   6 -11.977   6.331  -3.857
   45   2HG   LYS   6          2HG       LYS   6 -11.780   4.715  -4.538
   46   1HD   LYS   6          1HD       LYS   6 -13.589   4.943  -5.963
   47   2HD   LYS   6          2HD       LYS   6 -14.412   6.092  -4.906
   48   1HE   LYS   6          1HE       LYS   6 -13.428   7.091  -7.048
   49   2HE   LYS   6          2HE       LYS   6 -12.896   7.871  -5.545
   50   1HZ   LYS   6          1HZ       LYS   6 -11.451   5.588  -6.760
   51   2HZ   LYS   6          2HZ       LYS   6 -11.068   7.200  -7.126
   52   3HZ   LYS   6          3HZ       LYS   6 -10.912   6.632  -5.533
   53    H    GLU   7           H        GLU   7 -13.229   1.244  -1.786
   54    HA   GLU   7           HA       GLU   7 -10.573   0.429  -1.970
   55   1HB   GLU   7          1HB       GLU   7 -10.504   2.872  -0.736
   56   2HB   GLU   7          2HB       GLU   7 -10.621   1.794   0.650
   57   1HG   GLU   7          1HG       GLU   7  -8.599   0.791   0.230
   58   2HG   GLU   7          2HG       GLU   7  -8.711   1.041  -1.511
   59    H    ASN   8           H        ASN   8 -12.417  -1.283  -1.791
   60    HA   ASN   8           HA       ASN   8 -12.826  -1.992   1.084
   61   1HB   ASN   8          1HB       ASN   8 -14.849  -1.616  -0.475
   62   2HB   ASN   8          2HB       ASN   8 -14.385  -3.140  -1.233
   63   1HD2  ASN   8          2HD2      ASN   8 -16.682  -2.234   0.747
   64   2HD2  ASN   8          1HD2      ASN   8 -16.677  -3.475   1.903
   65    H    ILE   9           H        ILE   9 -10.365  -2.575  -0.203
   66    HA   ILE   9           HA       ILE   9 -10.405  -5.517   0.011
   67    HB   ILE   9           HB       ILE   9  -9.353  -4.021  -2.399
   68   1HG1  ILE   9          1HG1      ILE   9 -10.849  -5.876  -3.486
   69   2HG1  ILE   9          2HG1      ILE   9 -11.592  -5.970  -1.888
   70   1HG2  ILE   9          1HG2      ILE   9  -7.978  -6.037  -1.324
   71   2HG2  ILE   9          2HG2      ILE   9  -9.207  -6.999  -2.142
   72   3HG2  ILE   9          3HG2      ILE   9  -8.182  -5.905  -3.070
   73   1HD1  ILE   9          1HD1      ILE   9 -11.339  -3.211  -2.555
   74   2HD1  ILE   9          2HD1      ILE   9 -12.047  -4.031  -3.947
   75   3HD1  ILE   9          3HD1      ILE   9 -12.819  -4.150  -2.366
   76    H    ILE  10           H        ILE  10  -8.362  -2.738  -0.708
   77    HA   ILE  10           HA       ILE  10  -6.091  -2.352  -0.128
   78    HB   ILE  10           HB       ILE  10  -7.532  -1.480   1.726
   79   1HG1  ILE  10          1HG1      ILE  10  -4.981  -2.618   2.874
   80   2HG1  ILE  10          2HG1      ILE  10  -4.936  -1.393   1.608
   81   1HG2  ILE  10          1HG2      ILE  10  -8.384  -3.704   2.459
   82   2HG2  ILE  10          2HG2      ILE  10  -6.776  -4.090   3.075
   83   3HG2  ILE  10          3HG2      ILE  10  -7.702  -2.773   3.793
   84   1HD1  ILE  10          1HD1      ILE  10  -6.668  -0.165   3.205
   85   2HD1  ILE  10          2HD1      ILE  10  -5.892  -1.161   4.435
   86   3HD1  ILE  10          3HD1      ILE  10  -4.931  -0.031   3.482
   87    H    GLY  11           H        GLY  11  -6.342  -5.004  -1.029
   88   1HA   GLY  11          1HA       GLY  11  -4.911  -6.658   0.978
   89   2HA   GLY  11          2HA       GLY  11  -5.607  -7.249  -0.532
   90    H    VAL  12           H        VAL  12  -4.288  -4.727  -1.806
   91    HA   VAL  12           HA       VAL  12  -1.938  -6.094  -2.761
   92    HB   VAL  12           HB       VAL  12  -2.882  -3.228  -2.989
   93   1HG1  VAL  12          1HG1      VAL  12  -0.285  -4.470  -3.693
   94   2HG1  VAL  12          2HG1      VAL  12  -1.031  -3.503  -4.964
   95   3HG1  VAL  12          3HG1      VAL  12  -0.679  -2.777  -3.396
   96   1HG2  VAL  12          1HG2      VAL  12  -3.689  -5.544  -4.247
   97   2HG2  VAL  12          2HG2      VAL  12  -3.906  -3.908  -4.874
   98   3HG2  VAL  12          3HG2      VAL  12  -2.515  -4.868  -5.379
   99    H    SER  13           H        SER  13  -1.572  -2.806  -1.721
  100    HA   SER  13           HA       SER  13   0.247  -1.878  -0.606
  101   1HB   SER  13          1HB       SER  13  -0.091  -2.010   1.720
  102   2HB   SER  13          2HB       SER  13  -1.671  -2.409   1.057
  103    HG   SER  13           HG       SER  13  -1.410  -4.454   1.628
  104    H    TYR  14           H        TYR  14   1.635  -3.408  -2.107
  105    HA   TYR  14           HA       TYR  14   3.190  -5.298  -0.390
  106   1HB   TYR  14          1HB       TYR  14   2.198  -5.474  -3.082
  107   2HB   TYR  14          2HB       TYR  14   3.960  -5.525  -3.119
  108    HD1  TYR  14           HD1      TYR  14   4.428  -6.762  -0.395
  109    HD2  TYR  14           HD2      TYR  14   1.676  -7.756  -3.539
  110    HE1  TYR  14           HE1      TYR  14   4.375  -9.113   0.395
  111    HE2  TYR  14           HE2      TYR  14   1.625 -10.108  -2.751
  112    HH   TYR  14           HH       TYR  14   2.403 -11.111   0.088
  113    H    ASP  15           H        ASP  15   3.661  -2.937  -3.040
  114    HA   ASP  15           HA       ASP  15   6.204  -2.119  -1.701
  115   1HB   ASP  15          1HB       ASP  15   6.202  -3.576  -3.995
  116   2HB   ASP  15          2HB       ASP  15   6.106  -1.945  -4.663
  117    H    GLU  16           H        GLU  16   3.816  -0.781  -1.280
  118    HA   GLU  16           HA       GLU  16   3.556   1.421  -3.197
  119   1HB   GLU  16          1HB       GLU  16   1.546   0.676  -2.074
  120   2HB   GLU  16          2HB       GLU  16   2.293   0.896  -0.491
  121   1HG   GLU  16          1HG       GLU  16   1.884   3.126  -0.484
  122   2HG   GLU  16          2HG       GLU  16   2.382   3.308  -2.166
  123    H    TYR  17           H        TYR  17   5.168   0.834  -0.131
  124    HA   TYR  17           HA       TYR  17   6.058   3.688  -0.132
  125   1HB   TYR  17          1HB       TYR  17   5.160   1.912   1.978
  126   2HB   TYR  17          2HB       TYR  17   6.779   2.522   2.319
  127    HD1  TYR  17           HD1      TYR  17   3.373   3.632   1.247
  128    HD2  TYR  17           HD2      TYR  17   7.084   4.715   3.119
  129    HE1  TYR  17           HE1      TYR  17   2.419   5.835   1.867
  130    HE2  TYR  17           HE2      TYR  17   6.129   6.918   3.739
  131    HH   TYR  17           HH       TYR  17   3.153   7.631   3.978
  132    H    ARG  18           H        ARG  18   7.294   1.860  -1.869
  133    HA   ARG  18           HA       ARG  18   9.321   0.708  -2.297
  134   1HB   ARG  18          1HB       ARG  18  10.062   3.400  -1.145
  135   2HB   ARG  18          2HB       ARG  18  11.190   2.360  -2.015
  136   1HG   ARG  18          1HG       ARG  18  10.436   3.244  -3.942
  137   2HG   ARG  18          2HG       ARG  18   8.868   2.504  -3.616
  138   1HD   ARG  18          1HD       ARG  18   8.663   4.950  -3.958
  139   2HD   ARG  18          2HD       ARG  18   8.184   4.483  -2.328
  140    HE   ARG  18           HE       ARG  18  10.939   5.513  -2.854
  141   1HH1  ARG  18          1HH1      ARG  18   8.881   4.735  -0.399
  142   2HH1  ARG  18          2HH1      ARG  18   8.929   6.268   0.404
  143   1HH2  ARG  18          1HH2      ARG  18  10.591   7.870  -2.183
  144   2HH2  ARG  18          2HH2      ARG  18   9.897   8.044  -0.606
  145    H    TYR  19           H        TYR  19   8.471  -0.484  -0.019
  146    HA   TYR  19           HA       TYR  19   9.178  -1.492   1.986
  147   1HB   TYR  19          1HB       TYR  19  11.294  -1.618   0.027
  148   2HB   TYR  19          2HB       TYR  19  11.987  -1.486   1.644
  149    HD1  TYR  19           HD1      TYR  19   9.005  -3.185   0.111
  150    HD2  TYR  19           HD2      TYR  19  12.464  -3.531   2.635
  151    HE1  TYR  19           HE1      TYR  19   8.450  -5.563   0.548
  152    HE2  TYR  19           HE2      TYR  19  11.909  -5.907   3.071
  153    HH   TYR  19           HH       TYR  19   9.043  -7.237   2.622
  154    H    ARG  20           H        ARG  20   8.602   0.938   2.694
  155    HA   ARG  20           HA       ARG  20   9.173   2.842   3.960
  156   1HB   ARG  20          1HB       ARG  20   9.112   1.047   5.635
  157   2HB   ARG  20          2HB       ARG  20  10.798   0.668   5.301
  158   1HG   ARG  20          1HG       ARG  20  10.921   3.370   5.812
  159   2HG   ARG  20          2HG       ARG  20   9.645   2.853   6.910
  160   1HD   ARG  20          1HD       ARG  20  11.829   0.956   6.964
  161   2HD   ARG  20          2HD       ARG  20  12.425   2.582   7.295
  162    HE   ARG  20           HE       ARG  20  10.183   2.388   8.896
  163   1HH1  ARG  20          1HH1      ARG  20  11.767  -0.452   8.361
  164   2HH1  ARG  20          2HH1      ARG  20  12.363  -0.662   9.974
  165   1HH2  ARG  20          1HH2      ARG  20  11.484   2.531  10.999
  166   2HH2  ARG  20          2HH2      ARG  20  12.206   1.028  11.465
  167    H    SER  21           H        SER  21  10.597   2.996   1.665
  168    HA   SER  21           HA       SER  21  12.650   3.647   0.689
  169   1HB   SER  21          1HB       SER  21  12.527   5.263   3.247
  170   2HB   SER  21          2HB       SER  21  13.633   5.602   1.918
  171    HG   SER  21           HG       SER  21  12.003   6.281   0.721
  172    H    VAL  22           H        VAL  22  13.191   1.221   1.688
  173    HA   VAL  22           HA       VAL  22  15.659   1.562   3.341
  174    HB   VAL  22           HB       VAL  22  13.884  -0.863   2.916
  175   1HG1  VAL  22          1HG1      VAL  22  16.658  -0.726   3.569
  176   2HG1  VAL  22          2HG1      VAL  22  15.787  -1.178   5.034
  177   3HG1  VAL  22          3HG1      VAL  22  15.612  -2.146   3.570
  178   1HG2  VAL  22          1HG2      VAL  22  14.341   1.093   5.162
  179   2HG2  VAL  22          2HG2      VAL  22  12.815   0.513   4.497
  180   3HG2  VAL  22          3HG2      VAL  22  13.795  -0.547   5.511
  181    H    ILE  23           H        ILE  23  15.825   2.192   0.638
  182    HA   ILE  23           HA       ILE  23  17.463  -0.088  -0.378
  183    HB   ILE  23           HB       ILE  23  15.787   1.727  -2.129
  184   1HG1  ILE  23          1HG1      ILE  23  14.656  -0.764  -2.299
  185   2HG1  ILE  23          2HG1      ILE  23  15.085  -0.693  -0.590
  186   1HG2  ILE  23          1HG2      ILE  23  17.866  -0.206  -2.602
  187   2HG2  ILE  23          2HG2      ILE  23  16.354  -0.806  -3.282
  188   3HG2  ILE  23          3HG2      ILE  23  16.981   0.766  -3.778
  189   1HD1  ILE  23          1HD1      ILE  23  13.911   1.808  -1.545
  190   2HD1  ILE  23          2HD1      ILE  23  12.820   0.435  -1.741
  191   3HD1  ILE  23          3HD1      ILE  23  13.469   0.825  -0.149
  192    H    LYS  24           H        LYS  24  18.948   1.529   0.912
  193    HA   LYS  24           HA       LYS  24  19.675   4.069   0.114
  194   1HB   LYS  24          1HB       LYS  24  20.872   3.029   1.915
  195   2HB   LYS  24          2HB       LYS  24  21.450   1.735   0.867
  196   1HG   LYS  24          1HG       LYS  24  22.744   3.380  -0.448
  197   2HG   LYS  24          2HG       LYS  24  22.179   4.667   0.619
  198   1HD   LYS  24          1HD       LYS  24  24.211   4.158   1.620
  199   2HD   LYS  24          2HD       LYS  24  23.138   3.078   2.509
  200   1HE   LYS  24          1HE       LYS  24  23.912   1.179   1.409
  201   2HE   LYS  24          2HE       LYS  24  24.376   2.087  -0.043
  202   1HZ   LYS  24          1HZ       LYS  24  26.113   3.180   1.235
  203   2HZ   LYS  24          2HZ       LYS  24  25.680   2.296   2.620
  204   3HZ   LYS  24          3HZ       LYS  24  26.328   1.498   1.267
  205    H    ALA  25           H        ALA  25  21.107   4.932  -1.491
  206    HA   ALA  25           HA       ALA  25  21.105   3.372  -3.997
  207   1HB   ALA  25          1HB       ALA  25  20.549   5.929  -3.662
  208   2HB   ALA  25          2HB       ALA  25  22.301   6.110  -3.744
  209   3HB   ALA  25          3HB       ALA  25  21.425   5.399  -5.099
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -23.463  -0.749  -4.886
    2   2H    MET   1          2H        MET   1 -25.040  -1.209  -5.308
    3   3H    MET   1          3H        MET   1 -23.997  -0.576  -6.491
    4    HA   MET   1           HA       MET   1 -25.276   1.271  -6.032
    5   1HB   MET   1          1HB       MET   1 -25.673  -0.336  -3.644
    6   2HB   MET   1          2HB       MET   1 -25.489   1.368  -3.229
    7   1HG   MET   1          1HG       MET   1 -27.489   1.912  -4.132
    8   2HG   MET   1          2HG       MET   1 -27.182   0.954  -5.581
    9   1HE   MET   1          1HE       MET   1 -28.592  -0.430  -6.256
   10   2HE   MET   1          2HE       MET   1 -27.754  -1.867  -5.656
   11   3HE   MET   1          3HE       MET   1 -29.493  -1.700  -5.432
   12    HA   PRO   2           HA       PRO   2 -21.835   3.776  -4.960
   13   1HB   PRO   2          1HB       PRO   2 -23.060   6.143  -4.337
   14   2HB   PRO   2          2HB       PRO   2 -22.933   5.531  -5.998
   15   1HG   PRO   2          1HG       PRO   2 -25.245   5.471  -4.132
   16   2HG   PRO   2          2HG       PRO   2 -25.212   5.716  -5.884
   17   1HD   PRO   2          1HD       PRO   2 -25.895   3.351  -4.679
   18   2HD   PRO   2          2HD       PRO   2 -25.237   3.477  -6.326
   19    H    GLY   3           H        GLY   3 -21.498   2.410  -2.949
   20   1HA   GLY   3          1HA       GLY   3 -22.463   3.698  -0.446
   21   2HA   GLY   3          2HA       GLY   3 -21.736   2.094  -0.554
   22    H    THR   4           H        THR   4 -20.560   3.379   1.359
   23    HA   THR   4           HA       THR   4 -18.140   4.673   0.171
   24    HB   THR   4           HB       THR   4 -19.693   6.048   1.715
   25    HG1  THR   4           HG1      THR   4 -16.940   5.717   1.822
   26   1HG2  THR   4          1HG2      THR   4 -19.321   3.835   3.377
   27   2HG2  THR   4          2HG2      THR   4 -18.298   5.086   4.084
   28   3HG2  THR   4          3HG2      THR   4 -20.020   5.385   3.845
   29    H    ILE   5           H        ILE   5 -18.262   1.874   0.324
   30    HA   ILE   5           HA       ILE   5 -16.313   1.354   2.526
   31    HB   ILE   5           HB       ILE   5 -18.598  -0.374   1.580
   32   1HG1  ILE   5          1HG1      ILE   5 -17.758   0.430   4.372
   33   2HG1  ILE   5          2HG1      ILE   5 -18.850   1.415   3.397
   34   1HG2  ILE   5          1HG2      ILE   5 -15.964  -1.134   2.610
   35   2HG2  ILE   5          2HG2      ILE   5 -17.279  -1.721   3.627
   36   3HG2  ILE   5          3HG2      ILE   5 -17.228  -2.149   1.918
   37   1HD1  ILE   5          1HD1      ILE   5 -19.333  -1.519   3.922
   38   2HD1  ILE   5          2HD1      ILE   5 -19.970  -0.246   4.966
   39   3HD1  ILE   5          3HD1      ILE   5 -20.468  -0.332   3.276
   40    H    LYS   6           H        LYS   6 -14.946   2.008   0.517
   41    HA   LYS   6           HA       LYS   6 -14.269  -0.501  -0.948
   42   1HB   LYS   6          1HB       LYS   6 -15.126   2.059  -2.046
   43   2HB   LYS   6          2HB       LYS   6 -13.534   1.594  -2.645
   44   1HG   LYS   6          1HG       LYS   6 -14.663   0.301  -4.125
   45   2HG   LYS   6          2HG       LYS   6 -14.930  -0.785  -2.762
   46   1HD   LYS   6          1HD       LYS   6 -16.931   0.972  -2.319
   47   2HD   LYS   6          2HD       LYS   6 -16.813   1.106  -4.074
   48   1HE   LYS   6          1HE       LYS   6 -16.722  -1.673  -3.060
   49   2HE   LYS   6          2HE       LYS   6 -18.267  -0.835  -2.810
   50   1HZ   LYS   6          1HZ       LYS   6 -18.164  -0.106  -5.142
   51   2HZ   LYS   6          2HZ       LYS   6 -16.761  -1.033  -5.364
   52   3HZ   LYS   6          3HZ       LYS   6 -18.235  -1.798  -5.005
   53    H    GLU   7           H        GLU   7 -13.083   0.444   1.440
   54    HA   GLU   7           HA       GLU   7 -10.370   1.188   0.427
   55   1HB   GLU   7          1HB       GLU   7 -12.037   2.563   2.344
   56   2HB   GLU   7          2HB       GLU   7 -10.564   1.991   3.130
   57   1HG   GLU   7          1HG       GLU   7  -9.185   3.070   1.446
   58   2HG   GLU   7          2HG       GLU   7 -10.615   3.537   0.526
   59    H    ASN   8           H        ASN   8 -11.278  -1.444   0.725
   60    HA   ASN   8           HA       ASN   8 -10.131  -2.379   3.303
   61   1HB   ASN   8          1HB       ASN   8 -12.358  -3.252   2.450
   62   2HB   ASN   8          2HB       ASN   8 -11.463  -4.039   1.148
   63   1HD2  ASN   8          2HD2      ASN   8 -12.071  -6.176   2.034
   64   2HD2  ASN   8          1HD2      ASN   8 -11.302  -6.782   3.420
   65    H    ILE   9           H        ILE   9  -8.258  -1.296   1.510
   66    HA   ILE   9           HA       ILE   9  -7.033  -2.991  -0.326
   67    HB   ILE   9           HB       ILE   9  -5.864  -1.055   1.671
   68   1HG1  ILE   9          1HG1      ILE   9  -5.307   0.119  -0.528
   69   2HG1  ILE   9          2HG1      ILE   9  -6.314  -1.092  -1.323
   70   1HG2  ILE   9          1HG2      ILE   9  -4.463  -2.997  -0.122
   71   2HG2  ILE   9          2HG2      ILE   9  -3.796  -1.370   0.015
   72   3HG2  ILE   9          3HG2      ILE   9  -3.975  -2.373   1.455
   73   1HD1  ILE   9          1HD1      ILE   9  -7.438   0.360   1.039
   74   2HD1  ILE   9          2HD1      ILE   9  -7.354   1.207  -0.505
   75   3HD1  ILE   9          3HD1      ILE   9  -8.269  -0.295  -0.371
   76    H    ILE  10           H        ILE  10  -7.227  -3.278   3.097
   77    HA   ILE  10           HA       ILE  10  -6.157  -4.772   4.607
   78    HB   ILE  10           HB       ILE  10  -8.184  -5.883   3.575
   79   1HG1  ILE  10          1HG1      ILE  10  -6.118  -6.900   5.229
   80   2HG1  ILE  10          2HG1      ILE  10  -7.795  -7.425   5.172
   81   1HG2  ILE  10          1HG2      ILE  10  -6.006  -7.050   1.834
   82   2HG2  ILE  10          2HG2      ILE  10  -7.551  -7.866   2.070
   83   3HG2  ILE  10          3HG2      ILE  10  -7.502  -6.264   1.334
   84   1HD1  ILE  10          1HD1      ILE  10  -7.206  -9.023   3.354
   85   2HD1  ILE  10          2HD1      ILE  10  -5.519  -8.528   3.494
   86   3HD1  ILE  10          3HD1      ILE  10  -6.313  -9.344   4.840
   87    H    GLY  11           H        GLY  11  -4.239  -3.713   2.731
   88   1HA   GLY  11          1HA       GLY  11  -1.890  -4.252   2.627
   89   2HA   GLY  11          2HA       GLY  11  -2.302  -5.957   2.825
   90    H    VAL  12           H        VAL  12  -1.739  -3.429   0.549
   91    HA   VAL  12           HA       VAL  12  -2.254  -5.373  -1.668
   92    HB   VAL  12           HB       VAL  12  -3.066  -2.514  -1.368
   93   1HG1  VAL  12          1HG1      VAL  12  -2.043  -3.734  -3.944
   94   2HG1  VAL  12          2HG1      VAL  12  -3.212  -2.412  -3.935
   95   3HG1  VAL  12          3HG1      VAL  12  -1.611  -2.179  -3.231
   96   1HG2  VAL  12          1HG2      VAL  12  -4.622  -4.465  -1.301
   97   2HG2  VAL  12          2HG2      VAL  12  -5.002  -3.315  -2.584
   98   3HG2  VAL  12          3HG2      VAL  12  -4.176  -4.825  -2.969
   99    H    SER  13           H        SER  13  -0.593  -2.280  -1.015
  100    HA   SER  13           HA       SER  13   1.335  -2.544  -3.034
  101   1HB   SER  13          1HB       SER  13   2.756  -1.114  -1.323
  102   2HB   SER  13          2HB       SER  13   1.315  -0.426  -2.067
  103    HG   SER  13           HG       SER  13   0.321  -0.500  -0.201
  104    H    TYR  14           H        TYR  14   3.862  -2.558  -2.085
  105    HA   TYR  14           HA       TYR  14   4.228  -5.361  -1.292
  106   1HB   TYR  14          1HB       TYR  14   5.760  -3.376  -2.668
  107   2HB   TYR  14          2HB       TYR  14   6.696  -3.918  -1.275
  108    HD1  TYR  14           HD1      TYR  14   4.186  -5.872  -3.217
  109    HD2  TYR  14           HD2      TYR  14   8.340  -5.307  -2.283
  110    HE1  TYR  14           HE1      TYR  14   4.739  -7.977  -4.404
  111    HE2  TYR  14           HE2      TYR  14   8.893  -7.413  -3.471
  112    HH   TYR  14           HH       TYR  14   7.238  -8.804  -5.611
  113    H    ASP  15           H        ASP  15   6.113  -2.611  -0.060
  114    HA   ASP  15           HA       ASP  15   5.801  -3.745   2.668
  115   1HB   ASP  15          1HB       ASP  15   7.933  -2.430   1.228
  116   2HB   ASP  15          2HB       ASP  15   7.581  -1.551   2.714
  117    H    GLU  16           H        GLU  16   3.551  -2.382   1.617
  118    HA   GLU  16           HA       GLU  16   2.052  -0.656   2.158
  119   1HB   GLU  16          1HB       GLU  16   3.534  -1.353   4.575
  120   2HB   GLU  16          2HB       GLU  16   2.975   0.320   4.602
  121   1HG   GLU  16          1HG       GLU  16   1.092  -0.741   5.433
  122   2HG   GLU  16          2HG       GLU  16   0.727  -0.776   3.708
  123    H    TYR  17           H        TYR  17   4.862  -0.041   0.957
  124    HA   TYR  17           HA       TYR  17   5.864   1.914   0.138
  125   1HB   TYR  17          1HB       TYR  17   3.440   2.682  -0.026
  126   2HB   TYR  17          2HB       TYR  17   3.666   3.441   1.550
  127    HD1  TYR  17           HD1      TYR  17   5.554   3.170  -1.692
  128    HD2  TYR  17           HD2      TYR  17   4.224   5.695   1.519
  129    HE1  TYR  17           HE1      TYR  17   6.630   5.121  -2.780
  130    HE2  TYR  17           HE2      TYR  17   5.301   7.647   0.430
  131    HH   TYR  17           HH       TYR  17   7.199   8.022  -1.205
  132    H    ARG  18           H        ARG  18   6.688   0.763   2.605
  133    HA   ARG  18           HA       ARG  18   7.168   3.031   4.436
  134   1HB   ARG  18          1HB       ARG  18   6.703   0.608   5.182
  135   2HB   ARG  18          2HB       ARG  18   8.351   0.258   4.662
  136   1HG   ARG  18          1HG       ARG  18   8.761   2.510   6.141
  137   2HG   ARG  18          2HG       ARG  18   7.401   1.793   7.007
  138   1HD   ARG  18          1HD       ARG  18   9.288  -0.272   6.323
  139   2HD   ARG  18          2HD       ARG  18  10.129   1.036   7.156
  140    HE   ARG  18           HE       ARG  18   7.666  -0.198   8.320
  141   1HH1  ARG  18          1HH1      ARG  18  10.887  -0.776   8.503
  142   2HH1  ARG  18          2HH1      ARG  18  11.086  -0.362  10.173
  143   1HH2  ARG  18          1HH2      ARG  18   7.935   1.054  10.471
  144   2HH2  ARG  18          2HH2      ARG  18   9.416   0.679  11.285
  145    H    TYR  19           H        TYR  19   8.252   3.411   1.871
  146    HA   TYR  19           HA       TYR  19  10.283   3.776   0.734
  147   1HB   TYR  19          1HB       TYR  19  10.626   4.613   3.568
  148   2HB   TYR  19          2HB       TYR  19  12.103   4.465   2.615
  149    HD1  TYR  19           HD1      TYR  19  11.399   5.273  -0.045
  150    HD2  TYR  19           HD2      TYR  19  10.002   6.858   3.695
  151    HE1  TYR  19           HE1      TYR  19  10.906   7.439  -1.147
  152    HE2  TYR  19           HE2      TYR  19   9.509   9.026   2.593
  153    HH   TYR  19           HH       TYR  19  10.586  10.201   0.283
  154    H    ARG  20           H        ARG  20   9.760   1.023   1.446
  155    HA   ARG  20           HA       ARG  20  12.375  -0.027   2.340
  156   1HB   ARG  20          1HB       ARG  20  10.149  -1.006   3.101
  157   2HB   ARG  20          2HB       ARG  20   9.953  -1.615   1.457
  158   1HG   ARG  20          1HG       ARG  20  11.256  -3.376   1.957
  159   2HG   ARG  20          2HG       ARG  20  12.590  -2.280   2.321
  160   1HD   ARG  20          1HD       ARG  20  10.417  -2.683   4.355
  161   2HD   ARG  20          2HD       ARG  20  11.690  -3.893   4.194
  162    HE   ARG  20           HE       ARG  20  11.991  -1.315   5.431
  163   1HH1  ARG  20          1HH1      ARG  20  13.557  -4.096   4.349
  164   2HH1  ARG  20          2HH1      ARG  20  15.145  -3.405   4.343
  165   1HH2  ARG  20          1HH2      ARG  20  14.037  -0.187   5.000
  166   2HH2  ARG  20          2HH2      ARG  20  15.417  -1.193   4.710
  167    H    SER  21           H        SER  21  12.328   1.397  -0.140
  168    HA   SER  21           HA       SER  21  13.325  -0.767  -1.897
  169   1HB   SER  21          1HB       SER  21  11.335   1.338  -2.802
  170   2HB   SER  21          2HB       SER  21  12.149   0.188  -3.862
  171    HG   SER  21           HG       SER  21   9.906  -0.211  -2.722
  172    H    VAL  22           H        VAL  22  14.463   1.379  -0.258
  173    HA   VAL  22           HA       VAL  22  15.834   2.938  -2.407
  174    HB   VAL  22           HB       VAL  22  14.389   4.229  -0.766
  175   1HG1  VAL  22          1HG1      VAL  22  15.677   2.624   1.103
  176   2HG1  VAL  22          2HG1      VAL  22  16.448   4.197   1.303
  177   3HG1  VAL  22          3HG1      VAL  22  14.699   4.046   1.459
  178   1HG2  VAL  22          1HG2      VAL  22  17.370   4.763  -0.918
  179   2HG2  VAL  22          2HG2      VAL  22  16.122   5.392  -1.992
  180   3HG2  VAL  22          3HG2      VAL  22  16.201   5.937  -0.318
  181    H    ILE  23           H        ILE  23  17.027   0.658  -2.215
  182    HA   ILE  23           HA       ILE  23  18.845   0.376   0.022
  183    HB   ILE  23           HB       ILE  23  17.827  -1.376  -1.716
  184   1HG1  ILE  23          1HG1      ILE  23  19.662  -2.918  -1.030
  185   2HG1  ILE  23          2HG1      ILE  23  20.563  -1.522  -0.429
  186   1HG2  ILE  23          1HG2      ILE  23  19.454  -0.119  -3.463
  187   2HG2  ILE  23          2HG2      ILE  23  20.573  -1.336  -2.848
  188   3HG2  ILE  23          3HG2      ILE  23  19.053  -1.832  -3.590
  189   1HD1  ILE  23          1HD1      ILE  23  18.015  -1.202   0.656
  190   2HD1  ILE  23          2HD1      ILE  23  18.325  -2.932   0.795
  191   3HD1  ILE  23          3HD1      ILE  23  19.444  -1.775   1.514
  192    H    LYS  24           H        LYS  24  19.163   2.958  -1.104
  193    HA   LYS  24           HA       LYS  24  20.885   4.405  -1.759
  194   1HB   LYS  24          1HB       LYS  24  22.654   1.959  -1.465
  195   2HB   LYS  24          2HB       LYS  24  23.162   3.648  -1.417
  196   1HG   LYS  24          1HG       LYS  24  21.397   3.808   0.538
  197   2HG   LYS  24          2HG       LYS  24  21.657   2.066   0.638
  198   1HD   LYS  24          1HD       LYS  24  23.377   2.697   2.013
  199   2HD   LYS  24          2HD       LYS  24  24.226   2.896   0.480
  200   1HE   LYS  24          1HE       LYS  24  23.729   5.276   0.441
  201   2HE   LYS  24          2HE       LYS  24  22.695   5.120   1.876
  202   1HZ   LYS  24          1HZ       LYS  24  25.366   4.000   2.097
  203   2HZ   LYS  24          2HZ       LYS  24  25.292   5.693   2.018
  204   3HZ   LYS  24          3HZ       LYS  24  24.453   4.863   3.240
  205    H    ALA  25           H        ALA  25  19.690   4.192  -3.901
  206    HA   ALA  25           HA       ALA  25  21.596   3.757  -6.021
  207   1HB   ALA  25          1HB       ALA  25  19.806   1.545  -5.270
  208   2HB   ALA  25          2HB       ALA  25  19.721   1.978  -6.978
  209   3HB   ALA  25          3HB       ALA  25  21.266   1.522  -6.260
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -25.039  -0.993   2.572
    2   2H    MET   1          2H        MET   1 -26.001  -0.506   3.882
    3   3H    MET   1          3H        MET   1 -25.879   0.483   2.505
    4    HA   MET   1           HA       MET   1 -24.406   1.568   3.862
    5   1HB   MET   1          1HB       MET   1 -23.066   0.196   5.525
    6   2HB   MET   1          2HB       MET   1 -24.815   0.100   5.738
    7   1HG   MET   1          1HG       MET   1 -24.887  -2.101   5.175
    8   2HG   MET   1          2HG       MET   1 -23.706  -1.904   3.879
    9   1HE   MET   1          1HE       MET   1 -24.195  -1.819   7.727
   10   2HE   MET   1          2HE       MET   1 -24.439  -3.455   7.122
   11   3HE   MET   1          3HE       MET   1 -23.090  -3.103   8.211
   12    HA   PRO   2           HA       PRO   2 -21.581  -0.139   0.576
   13   1HB   PRO   2          1HB       PRO   2 -21.617   2.087  -1.015
   14   2HB   PRO   2          2HB       PRO   2 -22.806   0.777  -1.163
   15   1HG   PRO   2          1HG       PRO   2 -23.068   3.429   0.156
   16   2HG   PRO   2          2HG       PRO   2 -24.253   2.517  -0.791
   17   1HD   PRO   2          1HD       PRO   2 -24.259   2.640   1.940
   18   2HD   PRO   2          2HD       PRO   2 -24.930   1.282   1.010
   19    H    GLY   3           H        GLY   3 -19.516   1.149  -0.263
   20   1HA   GLY   3          1HA       GLY   3 -18.218   3.288   0.434
   21   2HA   GLY   3          2HA       GLY   3 -18.471   2.686   2.072
   22    H    THR   4           H        THR   4 -18.177  -0.045   0.334
   23    HA   THR   4           HA       THR   4 -15.333  -0.332   1.081
   24    HB   THR   4           HB       THR   4 -16.894  -2.142   1.675
   25    HG1  THR   4           HG1      THR   4 -15.308  -3.084  -0.455
   26   1HG2  THR   4          1HG2      THR   4 -17.826  -1.658  -1.001
   27   2HG2  THR   4          2HG2      THR   4 -17.356  -3.351  -0.844
   28   3HG2  THR   4          3HG2      THR   4 -18.552  -2.662   0.254
   29    H    ILE   5           H        ILE   5 -15.803   1.447  -1.061
   30    HA   ILE   5           HA       ILE   5 -14.379  -0.001  -3.232
   31    HB   ILE   5           HB       ILE   5 -16.711   1.875  -3.711
   32   1HG1  ILE   5          1HG1      ILE   5 -17.299  -0.375  -2.683
   33   2HG1  ILE   5          2HG1      ILE   5 -18.017  -0.068  -4.265
   34   1HG2  ILE   5          1HG2      ILE   5 -14.798   0.347  -5.453
   35   2HG2  ILE   5          2HG2      ILE   5 -16.437   0.659  -6.028
   36   3HG2  ILE   5          3HG2      ILE   5 -15.373   2.005  -5.621
   37   1HD1  ILE   5          1HD1      ILE   5 -15.346  -1.414  -4.155
   38   2HD1  ILE   5          2HD1      ILE   5 -16.780  -2.363  -3.763
   39   3HD1  ILE   5          3HD1      ILE   5 -16.638  -1.589  -5.341
   40    H    LYS   6           H        LYS   6 -12.801   1.380  -1.767
   41    HA   LYS   6           HA       LYS   6 -11.991   3.661  -3.341
   42   1HB   LYS   6          1HB       LYS   6 -12.176   5.277  -1.341
   43   2HB   LYS   6          2HB       LYS   6 -13.666   4.921  -2.215
   44   1HG   LYS   6          1HG       LYS   6 -14.578   3.793  -0.460
   45   2HG   LYS   6          2HG       LYS   6 -13.044   3.046  -0.018
   46   1HD   LYS   6          1HD       LYS   6 -12.599   5.718   0.542
   47   2HD   LYS   6          2HD       LYS   6 -14.287   5.498   1.005
   48   1HE   LYS   6          1HE       LYS   6 -13.667   3.576   2.424
   49   2HE   LYS   6          2HE       LYS   6 -11.967   3.773   1.952
   50   1HZ   LYS   6          1HZ       LYS   6 -12.148   6.116   2.722
   51   2HZ   LYS   6          2HZ       LYS   6 -13.677   5.748   3.365
   52   3HZ   LYS   6          3HZ       LYS   6 -12.295   4.974   3.971
   53    H    GLU   7           H        GLU   7 -10.051   2.381  -3.296
   54    HA   GLU   7           HA       GLU   7  -7.860   2.059  -2.496
   55   1HB   GLU   7          1HB       GLU   7  -8.733   3.274   0.133
   56   2HB   GLU   7          2HB       GLU   7  -7.103   3.166  -0.529
   57   1HG   GLU   7          1HG       GLU   7  -7.531   4.811  -2.171
   58   2HG   GLU   7          2HG       GLU   7  -9.277   4.690  -1.960
   59    H    ASN   8           H        ASN   8  -8.088  -0.178  -2.469
   60    HA   ASN   8           HA       ASN   8  -9.179  -1.437  -0.023
   61   1HB   ASN   8          1HB       ASN   8 -10.030  -2.173  -2.248
   62   2HB   ASN   8          2HB       ASN   8  -8.401  -2.712  -2.644
   63   1HD2  ASN   8          2HD2      ASN   8 -11.287  -3.922  -1.605
   64   2HD2  ASN   8          1HD2      ASN   8 -10.742  -5.227  -0.668
   65    H    ILE   9           H        ILE   9  -7.080  -3.404  -1.620
   66    HA   ILE   9           HA       ILE   9  -4.837  -2.715   0.217
   67    HB   ILE   9           HB       ILE   9  -5.824  -5.491  -0.489
   68   1HG1  ILE   9          1HG1      ILE   9  -7.220  -4.176   1.155
   69   2HG1  ILE   9          2HG1      ILE   9  -6.505  -5.639   1.833
   70   1HG2  ILE   9          1HG2      ILE   9  -3.473  -4.467   1.113
   71   2HG2  ILE   9          2HG2      ILE   9  -4.121  -6.091   1.340
   72   3HG2  ILE   9          3HG2      ILE   9  -3.461  -5.616  -0.225
   73   1HD1  ILE   9          1HD1      ILE   9  -4.613  -3.526   2.146
   74   2HD1  ILE   9          2HD1      ILE   9  -6.174  -2.939   2.718
   75   3HD1  ILE   9          3HD1      ILE   9  -5.479  -4.405   3.406
   76    H    ILE  10           H        ILE  10  -5.811  -3.214  -2.952
   77    HA   ILE  10           HA       ILE  10  -3.272  -4.308  -3.932
   78    HB   ILE  10           HB       ILE  10  -5.431  -4.789  -5.083
   79   1HG1  ILE  10          1HG1      ILE  10  -4.167  -3.306  -7.233
   80   2HG1  ILE  10          2HG1      ILE  10  -2.951  -4.082  -6.219
   81   1HG2  ILE  10          1HG2      ILE  10  -5.427  -1.809  -5.230
   82   2HG2  ILE  10          2HG2      ILE  10  -6.057  -2.685  -6.626
   83   3HG2  ILE  10          3HG2      ILE  10  -6.781  -2.922  -5.035
   84   1HD1  ILE  10          1HD1      ILE  10  -5.384  -5.564  -7.232
   85   2HD1  ILE  10          2HD1      ILE  10  -3.880  -5.489  -8.149
   86   3HD1  ILE  10          3HD1      ILE  10  -3.903  -6.241  -6.554
   87    H    GLY  11           H        GLY  11  -2.756  -2.017  -2.444
   88   1HA   GLY  11          1HA       GLY  11  -1.679  -0.244  -4.561
   89   2HA   GLY  11          2HA       GLY  11  -2.678   0.500  -3.313
   90    H    VAL  12           H        VAL  12  -1.758   0.940  -1.331
   91    HA   VAL  12           HA       VAL  12   1.029  -0.064  -0.873
   92    HB   VAL  12           HB       VAL  12  -0.107   2.708  -0.405
   93   1HG1  VAL  12          1HG1      VAL  12   2.557   1.537   0.456
   94   2HG1  VAL  12          2HG1      VAL  12   2.104   3.237   0.580
   95   3HG1  VAL  12          3HG1      VAL  12   1.249   2.026   1.532
   96   1HG2  VAL  12          1HG2      VAL  12   1.417   1.475  -2.486
   97   2HG2  VAL  12          2HG2      VAL  12   0.850   3.142  -2.368
   98   3HG2  VAL  12          3HG2      VAL  12   2.410   2.692  -1.682
   99    H    SER  13           H        SER  13  -0.872   2.087   1.111
  100    HA   SER  13           HA       SER  13  -1.591   1.931   3.271
  101   1HB   SER  13          1HB       SER  13  -3.345   0.519   3.103
  102   2HB   SER  13          2HB       SER  13  -2.505  -0.466   1.910
  103    HG   SER  13           HG       SER  13  -2.926  -1.643   3.812
  104    H    TYR  14           H        TYR  14  -0.223   2.048   4.939
  105    HA   TYR  14           HA       TYR  14   1.664   1.621   6.270
  106   1HB   TYR  14          1HB       TYR  14  -0.001   0.155   7.266
  107   2HB   TYR  14          2HB       TYR  14   0.343  -1.094   6.074
  108    HD1  TYR  14           HD1      TYR  14   2.551   1.138   8.126
  109    HD2  TYR  14           HD2      TYR  14   1.429  -2.885   7.121
  110    HE1  TYR  14           HE1      TYR  14   4.364   0.271   9.577
  111    HE2  TYR  14           HE2      TYR  14   3.243  -3.753   8.574
  112    HH   TYR  14           HH       TYR  14   5.760  -2.192   9.503
  113    H    ASP  15           H        ASP  15   2.346   1.614   3.515
  114    HA   ASP  15           HA       ASP  15   3.908   0.718   1.977
  115   1HB   ASP  15          1HB       ASP  15   5.408   1.840   3.476
  116   2HB   ASP  15          2HB       ASP  15   5.273   0.552   4.673
  117    H    GLU  16           H        GLU  16   2.204  -1.219   1.961
  118    HA   GLU  16           HA       GLU  16   3.098  -3.686   3.214
  119   1HB   GLU  16          1HB       GLU  16   0.755  -2.826   1.986
  120   2HB   GLU  16          2HB       GLU  16   1.397  -4.029   0.866
  121   1HG   GLU  16          1HG       GLU  16   0.122  -5.318   2.371
  122   2HG   GLU  16          2HG       GLU  16   1.768  -5.486   2.982
  123    H    TYR  17           H        TYR  17   4.364  -1.944   0.665
  124    HA   TYR  17           HA       TYR  17   5.500  -4.443  -0.529
  125   1HB   TYR  17          1HB       TYR  17   4.723  -1.849  -1.883
  126   2HB   TYR  17          2HB       TYR  17   5.755  -3.057  -2.647
  127    HD1  TYR  17           HD1      TYR  17   4.665  -5.599  -1.950
  128    HD2  TYR  17           HD2      TYR  17   2.578  -1.942  -2.795
  129    HE1  TYR  17           HE1      TYR  17   2.662  -6.899  -2.615
  130    HE2  TYR  17           HE2      TYR  17   0.573  -3.241  -3.460
  131    HH   TYR  17           HH       TYR  17  -0.393  -5.302  -3.375
  132    H    ARG  18           H        ARG  18   6.629  -3.050   1.684
  133    HA   ARG  18           HA       ARG  18   8.585  -1.906   2.357
  134   1HB   ARG  18          1HB       ARG  18   9.162  -4.190   0.882
  135   2HB   ARG  18          2HB       ARG  18  10.177  -2.958   0.133
  136   1HG   ARG  18          1HG       ARG  18  11.116  -2.365   2.320
  137   2HG   ARG  18          2HG       ARG  18  10.066  -3.546   3.106
  138   1HD   ARG  18          1HD       ARG  18  11.313  -5.334   2.396
  139   2HD   ARG  18          2HD       ARG  18  11.737  -4.562   0.868
  140    HE   ARG  18           HE       ARG  18  13.543  -3.407   2.001
  141   1HH1  ARG  18          1HH1      ARG  18  12.066  -3.326   4.701
  142   2HH1  ARG  18          2HH1      ARG  18  13.072  -4.374   5.644
  143   1HH2  ARG  18          1HH2      ARG  18  14.689  -5.735   2.895
  144   2HH2  ARG  18          2HH2      ARG  18  14.555  -5.740   4.621
  145    H    TYR  19           H        TYR  19   6.904  -0.465   0.486
  146    HA   TYR  19           HA       TYR  19   6.985   1.310  -1.075
  147   1HB   TYR  19          1HB       TYR  19   8.192   1.991   1.247
  148   2HB   TYR  19          2HB       TYR  19   9.535   2.240   0.130
  149    HD1  TYR  19           HD1      TYR  19   5.843   2.912   0.328
  150    HD2  TYR  19           HD2      TYR  19   9.711   4.318  -0.902
  151    HE1  TYR  19           HE1      TYR  19   4.828   5.044  -0.429
  152    HE2  TYR  19           HE2      TYR  19   8.695   6.451  -1.657
  153    HH   TYR  19           HH       TYR  19   5.548   7.384  -0.817
  154    H    ARG  20           H        ARG  20   8.546  -1.162  -1.814
  155    HA   ARG  20           HA       ARG  20  10.345  -1.803  -3.226
  156   1HB   ARG  20          1HB       ARG  20   8.399  -1.247  -4.663
  157   2HB   ARG  20          2HB       ARG  20   8.992   0.406  -4.791
  158   1HG   ARG  20          1HG       ARG  20  11.226  -1.016  -5.496
  159   2HG   ARG  20          2HG       ARG  20   9.944  -2.046  -6.132
  160   1HD   ARG  20          1HD       ARG  20  10.530  -0.467  -7.862
  161   2HD   ARG  20          2HD       ARG  20   8.952  -0.001  -7.226
  162    HE   ARG  20           HE       ARG  20  10.448   1.600  -5.730
  163   1HH1  ARG  20          1HH1      ARG  20  12.712   0.741  -7.706
  164   2HH1  ARG  20          2HH1      ARG  20  12.757   2.141  -8.725
  165   1HH2  ARG  20          1HH2      ARG  20   9.720   3.380  -7.605
  166   2HH2  ARG  20          2HH2      ARG  20  11.061   3.633  -8.671
  167    H    SER  21           H        SER  21  11.308   0.047  -1.310
  168    HA   SER  21           HA       SER  21  13.787   0.818  -2.329
  169   1HB   SER  21          1HB       SER  21  12.727   2.353  -3.864
  170   2HB   SER  21          2HB       SER  21  11.715   3.018  -2.585
  171    HG   SER  21           HG       SER  21  14.473   3.321  -3.054
  172    H    VAL  22           H        VAL  22  13.070  -0.167   0.088
  173    HA   VAL  22           HA       VAL  22  13.247   2.171   1.944
  174    HB   VAL  22           HB       VAL  22  12.255  -0.650   2.454
  175   1HG1  VAL  22          1HG1      VAL  22  13.046   1.590   4.239
  176   2HG1  VAL  22          2HG1      VAL  22  11.525   0.788   4.632
  177   3HG1  VAL  22          3HG1      VAL  22  13.020  -0.144   4.554
  178   1HG2  VAL  22          1HG2      VAL  22  10.849   1.169   1.177
  179   2HG2  VAL  22          2HG2      VAL  22  10.093   0.252   2.480
  180   3HG2  VAL  22          3HG2      VAL  22  10.675   1.890   2.777
  181    H    ILE  23           H        ILE  23  15.623   1.768   0.958
  182    HA   ILE  23           HA       ILE  23  17.054   0.191   3.049
  183    HB   ILE  23           HB       ILE  23  17.710   0.241   0.086
  184   1HG1  ILE  23          1HG1      ILE  23  17.359  -2.316   0.523
  185   2HG1  ILE  23          2HG1      ILE  23  16.448  -1.775   1.934
  186   1HG2  ILE  23          1HG2      ILE  23  19.206  -0.577   2.519
  187   2HG2  ILE  23          2HG2      ILE  23  19.268  -1.696   1.158
  188   3HG2  ILE  23          3HG2      ILE  23  19.811  -0.031   0.955
  189   1HD1  ILE  23          1HD1      ILE  23  15.588  -0.151  -0.210
  190   2HD1  ILE  23          2HD1      ILE  23  15.639  -1.798  -0.839
  191   3HD1  ILE  23          3HD1      ILE  23  14.675  -1.430   0.592
  192    H    LYS  24           H        LYS  24  16.867   2.720   3.632
  193    HA   LYS  24           HA       LYS  24  17.982   4.779   3.854
  194   1HB   LYS  24          1HB       LYS  24  19.636   3.366   4.940
  195   2HB   LYS  24          2HB       LYS  24  20.306   2.889   3.379
  196   1HG   LYS  24          1HG       LYS  24  21.669   4.659   4.457
  197   2HG   LYS  24          2HG       LYS  24  20.971   5.209   2.933
  198   1HD   LYS  24          1HD       LYS  24  19.305   6.492   4.030
  199   2HD   LYS  24          2HD       LYS  24  19.583   5.683   5.572
  200   1HE   LYS  24          1HE       LYS  24  21.071   7.296   6.121
  201   2HE   LYS  24          2HE       LYS  24  22.068   6.827   4.730
  202   1HZ   LYS  24          1HZ       LYS  24  20.555   8.134   3.311
  203   2HZ   LYS  24          2HZ       LYS  24  19.739   8.674   4.700
  204   3HZ   LYS  24          3HZ       LYS  24  21.366   9.096   4.449
  205    H    ALA  25           H        ALA  25  17.047   5.594   1.833
  206    HA   ALA  25           HA       ALA  25  17.165   6.413  -0.376
  207   1HB   ALA  25          1HB       ALA  25  18.889   7.739   1.078
  208   2HB   ALA  25          2HB       ALA  25  20.095   6.838   0.162
  209   3HB   ALA  25          3HB       ALA  25  18.959   7.893  -0.678
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -23.219   2.564  -3.173
    2   2H    MET   1          2H        MET   1 -24.578   1.706  -3.723
    3   3H    MET   1          3H        MET   1 -24.635   3.398  -3.607
    4    HA   MET   1           HA       MET   1 -25.830   2.461  -1.749
    5   1HB   MET   1          1HB       MET   1 -23.453   0.716  -1.914
    6   2HB   MET   1          2HB       MET   1 -23.954   1.108  -0.270
    7   1HG   MET   1          1HG       MET   1 -25.977   0.019  -0.477
    8   2HG   MET   1          2HG       MET   1 -26.085   0.327  -2.210
    9   1HE   MET   1          1HE       MET   1 -27.101  -2.083  -1.811
   10   2HE   MET   1          2HE       MET   1 -26.420  -1.941  -3.429
   11   3HE   MET   1          3HE       MET   1 -26.148  -3.407  -2.492
   12    HA   PRO   2           HA       PRO   2 -23.924   5.956   0.211
   13   1HB   PRO   2          1HB       PRO   2 -25.768   6.260   2.208
   14   2HB   PRO   2          2HB       PRO   2 -26.069   6.761   0.532
   15   1HG   PRO   2          1HG       PRO   2 -27.006   4.346   1.984
   16   2HG   PRO   2          2HG       PRO   2 -27.832   5.322   0.761
   17   1HD   PRO   2          1HD       PRO   2 -26.636   2.899   0.263
   18   2HD   PRO   2          2HD       PRO   2 -26.927   4.148  -0.968
   19    H    GLY   3           H        GLY   3 -22.148   4.389   0.890
   20   1HA   GLY   3          1HA       GLY   3 -21.944   4.340   3.792
   21   2HA   GLY   3          2HA       GLY   3 -22.107   2.725   3.100
   22    H    THR   4           H        THR   4 -19.781   3.290   4.423
   23    HA   THR   4           HA       THR   4 -17.755   4.188   2.488
   24    HB   THR   4           HB       THR   4 -17.617   4.686   4.960
   25    HG1  THR   4           HG1      THR   4 -15.380   3.153   4.451
   26   1HG2  THR   4          1HG2      THR   4 -18.076   1.906   5.129
   27   2HG2  THR   4          2HG2      THR   4 -16.426   2.164   5.693
   28   3HG2  THR   4          3HG2      THR   4 -17.765   3.020   6.459
   29    H    ILE   5           H        ILE   5 -19.086   2.010   1.445
   30    HA   ILE   5           HA       ILE   5 -17.259  -0.303   1.925
   31    HB   ILE   5           HB       ILE   5 -19.761  -0.456   0.267
   32   1HG1  ILE   5          1HG1      ILE   5 -20.546   0.643   2.267
   33   2HG1  ILE   5          2HG1      ILE   5 -20.961  -1.066   2.412
   34   1HG2  ILE   5          1HG2      ILE   5 -18.253  -2.357   2.088
   35   2HG2  ILE   5          2HG2      ILE   5 -19.764  -2.757   1.271
   36   3HG2  ILE   5          3HG2      ILE   5 -18.315  -2.412   0.326
   37   1HD1  ILE   5          1HD1      ILE   5 -18.336  -0.770   3.447
   38   2HD1  ILE   5          2HD1      ILE   5 -19.306   0.527   4.143
   39   3HD1  ILE   5          3HD1      ILE   5 -19.807  -1.153   4.341
   40    H    LYS   6           H        LYS   6 -15.939   1.524   0.523
   41    HA   LYS   6           HA       LYS   6 -15.893   0.377  -2.207
   42   1HB   LYS   6          1HB       LYS   6 -16.318   3.295  -1.549
   43   2HB   LYS   6          2HB       LYS   6 -15.606   2.792  -3.082
   44   1HG   LYS   6          1HG       LYS   6 -17.860   1.134  -2.689
   45   2HG   LYS   6          2HG       LYS   6 -18.381   2.771  -2.288
   46   1HD   LYS   6          1HD       LYS   6 -16.737   2.338  -4.758
   47   2HD   LYS   6          2HD       LYS   6 -18.455   1.939  -4.794
   48   1HE   LYS   6          1HE       LYS   6 -17.966   4.527  -3.517
   49   2HE   LYS   6          2HE       LYS   6 -17.395   4.480  -5.197
   50   1HZ   LYS   6          1HZ       LYS   6 -19.618   3.206  -5.561
   51   2HZ   LYS   6          2HZ       LYS   6 -20.099   4.008  -4.142
   52   3HZ   LYS   6          3HZ       LYS   6 -19.619   4.901  -5.504
   53    H    GLU   7           H        GLU   7 -13.979  -0.520  -0.937
   54    HA   GLU   7           HA       GLU   7 -11.761   1.364  -0.502
   55   1HB   GLU   7          1HB       GLU   7 -12.439  -0.978   0.716
   56   2HB   GLU   7          2HB       GLU   7 -11.237  -1.551  -0.440
   57   1HG   GLU   7          1HG       GLU   7  -9.600   0.043   0.391
   58   2HG   GLU   7          2HG       GLU   7 -10.801   0.772   1.457
   59    H    ASN   8           H        ASN   8 -12.473   1.533  -3.117
   60    HA   ASN   8           HA       ASN   8 -10.934  -0.341  -4.757
   61   1HB   ASN   8          1HB       ASN   8 -13.066   0.823  -5.501
   62   2HB   ASN   8          2HB       ASN   8 -12.120   2.307  -5.619
   63   1HD2  ASN   8          2HD2      ASN   8 -12.968   1.803  -8.031
   64   2HD2  ASN   8          1HD2      ASN   8 -11.868   0.947  -8.998
   65    H    ILE   9           H        ILE   9  -9.257   0.863  -2.858
   66    HA   ILE   9           HA       ILE   9  -7.664   2.800  -4.477
   67    HB   ILE   9           HB       ILE   9  -7.799   2.278  -1.501
   68   1HG1  ILE   9          1HG1      ILE   9  -8.415   4.675  -1.443
   69   2HG1  ILE   9          2HG1      ILE   9  -8.291   4.745  -3.200
   70   1HG2  ILE   9          1HG2      ILE   9  -5.791   3.825  -3.145
   71   2HG2  ILE   9          2HG2      ILE   9  -6.084   4.200  -1.447
   72   3HG2  ILE   9          3HG2      ILE   9  -5.481   2.608  -1.908
   73   1HD1  ILE   9          1HD1      ILE   9 -10.026   2.601  -2.097
   74   2HD1  ILE   9          2HD1      ILE   9 -10.618   4.252  -1.913
   75   3HD1  ILE   9          3HD1      ILE   9 -10.259   3.618  -3.519
   76    H    ILE  10           H        ILE  10  -7.835  -0.399  -3.516
   77    HA   ILE  10           HA       ILE  10  -6.242  -2.126  -3.329
   78    HB   ILE  10           HB       ILE  10  -6.424  -1.580  -5.753
   79   1HG1  ILE  10          1HG1      ILE  10  -3.794  -2.581  -4.634
   80   2HG1  ILE  10          2HG1      ILE  10  -5.197  -3.541  -5.104
   81   1HG2  ILE  10          1HG2      ILE  10  -3.974   0.079  -5.113
   82   2HG2  ILE  10          2HG2      ILE  10  -4.402  -0.423  -6.746
   83   3HG2  ILE  10          3HG2      ILE  10  -5.484   0.630  -5.834
   84   1HD1  ILE  10          1HD1      ILE  10  -4.853  -2.446  -7.442
   85   2HD1  ILE  10          2HD1      ILE  10  -3.227  -2.098  -6.851
   86   3HD1  ILE  10          3HD1      ILE  10  -3.790  -3.766  -6.956
   87    H    GLY  11           H        GLY  11  -5.707  -0.182  -1.402
   88   1HA   GLY  11          1HA       GLY  11  -2.847   0.507  -1.571
   89   2HA   GLY  11          2HA       GLY  11  -3.933   0.910  -0.239
   90    H    VAL  12           H        VAL  12  -3.085  -2.200  -1.765
   91    HA   VAL  12           HA       VAL  12  -3.084  -3.646   0.705
   92    HB   VAL  12           HB       VAL  12  -1.777  -4.237  -1.964
   93   1HG1  VAL  12          1HG1      VAL  12  -1.383  -5.494   0.599
   94   2HG1  VAL  12          2HG1      VAL  12  -2.238  -6.606  -0.470
   95   3HG1  VAL  12          3HG1      VAL  12  -0.684  -5.931  -0.961
   96   1HG2  VAL  12          1HG2      VAL  12  -4.254  -4.122  -1.879
   97   2HG2  VAL  12          2HG2      VAL  12  -3.656  -5.742  -2.245
   98   3HG2  VAL  12          3HG2      VAL  12  -4.237  -5.363  -0.624
   99    H    SER  13           H        SER  13  -0.189  -3.705  -1.244
  100    HA   SER  13           HA       SER  13   2.017  -3.710  -0.572
  101   1HB   SER  13          1HB       SER  13   1.438  -1.250   1.032
  102   2HB   SER  13          2HB       SER  13   2.773  -1.573  -0.069
  103    HG   SER  13           HG       SER  13   0.794  -0.164  -0.683
  104    H    TYR  14           H        TYR  14   2.220  -5.481   0.820
  105    HA   TYR  14           HA       TYR  14   1.508  -5.135   3.674
  106   1HB   TYR  14          1HB       TYR  14   0.862  -7.255   2.804
  107   2HB   TYR  14          2HB       TYR  14   2.412  -7.482   1.995
  108    HD1  TYR  14           HD1      TYR  14   0.680  -7.475   5.268
  109    HD2  TYR  14           HD2      TYR  14   4.362  -8.259   3.196
  110    HE1  TYR  14           HE1      TYR  14   1.561  -8.640   7.272
  111    HE2  TYR  14           HE2      TYR  14   5.242  -9.424   5.201
  112    HH   TYR  14           HH       TYR  14   3.343  -9.592   8.208
  113    H    ASP  15           H        ASP  15   4.064  -4.222   1.867
  114    HA   ASP  15           HA       ASP  15   6.329  -3.801   2.334
  115   1HB   ASP  15          1HB       ASP  15   5.549  -2.493   4.163
  116   2HB   ASP  15          2HB       ASP  15   5.094  -3.926   5.083
  117    H    GLU  16           H        GLU  16   6.587  -6.047   1.407
  118    HA   GLU  16           HA       GLU  16   7.257  -8.129   3.388
  119   1HB   GLU  16          1HB       GLU  16   7.520  -9.598   1.493
  120   2HB   GLU  16          2HB       GLU  16   6.064  -8.643   1.205
  121   1HG   GLU  16          1HG       GLU  16   6.944  -7.820  -0.693
  122   2HG   GLU  16          2HG       GLU  16   8.340  -7.206   0.193
  123    H    TYR  17           H        TYR  17   8.755  -5.558   1.724
  124    HA   TYR  17           HA       TYR  17  11.433  -6.689   2.367
  125   1HB   TYR  17          1HB       TYR  17  10.793  -6.331  -0.147
  126   2HB   TYR  17          2HB       TYR  17  10.962  -4.617   0.224
  127    HD1  TYR  17           HD1      TYR  17  12.803  -7.837   0.834
  128    HD2  TYR  17           HD2      TYR  17  13.047  -3.653  -0.103
  129    HE1  TYR  17           HE1      TYR  17  15.267  -8.029   0.620
  130    HE2  TYR  17           HE2      TYR  17  15.512  -3.845  -0.318
  131    HH   TYR  17           HH       TYR  17  17.165  -6.965   0.203
  132    H    ARG  18           H        ARG  18  10.619  -5.616   4.452
  133    HA   ARG  18           HA       ARG  18  10.275  -2.808   4.688
  134   1HB   ARG  18          1HB       ARG  18  10.037  -4.873   6.403
  135   2HB   ARG  18          2HB       ARG  18  11.590  -4.230   6.937
  136   1HG   ARG  18          1HG       ARG  18  10.679  -2.156   7.527
  137   2HG   ARG  18          2HG       ARG  18   9.275  -2.367   6.478
  138   1HD   ARG  18          1HD       ARG  18   8.628  -2.647   8.833
  139   2HD   ARG  18          2HD       ARG  18   8.449  -4.169   7.963
  140    HE   ARG  18           HE       ARG  18  10.430  -5.000   9.102
  141   1HH1  ARG  18          1HH2      ARG  18   8.930  -4.178  11.474
  142   2HH1  ARG  18          2HH2      ARG  18  10.029  -3.127  12.304
  143   1HH2  ARG  18          1HH1      ARG  18  12.066  -2.636   9.541
  144   2HH2  ARG  18          2HH1      ARG  18  11.801  -2.253  11.209
  145    H    TYR  19           H        TYR  19  12.533  -3.249   2.999
  146    HA   TYR  19           HA       TYR  19  14.517  -1.621   4.427
  147   1HB   TYR  19          1HB       TYR  19  15.340  -3.953   4.624
  148   2HB   TYR  19          2HB       TYR  19  15.225  -4.135   2.873
  149    HD1  TYR  19           HD1      TYR  19  16.285  -1.066   4.677
  150    HD2  TYR  19           HD2      TYR  19  17.544  -4.439   2.333
  151    HE1  TYR  19           HE1      TYR  19  18.529  -0.046   4.416
  152    HE2  TYR  19           HE2      TYR  19  19.789  -3.418   2.072
  153    HH   TYR  19           HH       TYR  19  20.492  -0.176   3.346
  154    H    ARG  20           H        ARG  20  12.429  -1.782   1.994
  155    HA   ARG  20           HA       ARG  20  14.124  -1.077  -0.268
  156   1HB   ARG  20          1HB       ARG  20  11.956  -2.187  -0.632
  157   2HB   ARG  20          2HB       ARG  20  11.126  -0.841   0.148
  158   1HG   ARG  20          1HG       ARG  20  12.756   0.344  -1.810
  159   2HG   ARG  20          2HG       ARG  20  12.049  -1.070  -2.592
  160   1HD   ARG  20          1HD       ARG  20  10.484   1.038  -1.074
  161   2HD   ARG  20          2HD       ARG  20  10.604   0.936  -2.830
  162    HE   ARG  20           HE       ARG  20   9.672  -1.567  -1.765
  163   1HH1  ARG  20          1HH1      ARG  20   8.187   0.962  -0.550
  164   2HH1  ARG  20          2HH1      ARG  20   6.762   0.936  -1.534
  165   1HH2  ARG  20          1HH2      ARG  20   8.077  -1.300  -3.839
  166   2HH2  ARG  20          2HH2      ARG  20   6.697  -0.350  -3.397
  167    H    SER  21           H        SER  21  14.856   0.571   1.778
  168    HA   SER  21           HA       SER  21  13.352   3.072   1.710
  169   1HB   SER  21          1HB       SER  21  14.992   2.065   3.563
  170   2HB   SER  21          2HB       SER  21  16.191   2.969   2.644
  171    HG   SER  21           HG       SER  21  15.140   4.825   3.083
  172    H    VAL  22           H        VAL  22  13.959   2.304  -0.894
  173    HA   VAL  22           HA       VAL  22  16.388   3.683  -1.784
  174    HB   VAL  22           HB       VAL  22  14.060   2.560  -3.376
  175   1HG1  VAL  22          1HG1      VAL  22  16.405   4.130  -4.097
  176   2HG1  VAL  22          2HG1      VAL  22  16.409   2.559  -4.901
  177   3HG1  VAL  22          3HG1      VAL  22  15.035   3.647  -5.098
  178   1HG2  VAL  22          1HG2      VAL  22  16.732   1.425  -2.514
  179   2HG2  VAL  22          2HG2      VAL  22  15.128   0.764  -2.199
  180   3HG2  VAL  22          3HG2      VAL  22  15.789   0.736  -3.834
  181    H    ILE  23           H        ILE  23  13.769   4.985  -0.511
  182    HA   ILE  23           HA       ILE  23  13.074   6.919  -2.608
  183    HB   ILE  23           HB       ILE  23  12.319   7.028   0.322
  184   1HG1  ILE  23          1HG1      ILE  23  10.155   5.925  -0.831
  185   2HG1  ILE  23          2HG1      ILE  23  11.394   5.248  -1.888
  186   1HG2  ILE  23          1HG2      ILE  23  11.915   8.852  -1.656
  187   2HG2  ILE  23          2HG2      ILE  23  10.480   7.846  -1.854
  188   3HG2  ILE  23          3HG2      ILE  23  10.805   8.622  -0.304
  189   1HD1  ILE  23          1HD1      ILE  23  12.151   5.106   0.930
  190   2HD1  ILE  23          2HD1      ILE  23  10.652   4.240   0.595
  191   3HD1  ILE  23          3HD1      ILE  23  12.122   3.831  -0.287
  192    H    LYS  24           H        LYS  24  15.818   6.997  -2.076
  193    HA   LYS  24           HA       LYS  24  16.073   9.765  -1.071
  194   1HB   LYS  24          1HB       LYS  24  17.096   7.372   0.318
  195   2HB   LYS  24          2HB       LYS  24  18.308   8.627   0.050
  196   1HG   LYS  24          1HG       LYS  24  17.194  10.179   1.361
  197   2HG   LYS  24          2HG       LYS  24  15.616   9.448   1.070
  198   1HD   LYS  24          1HD       LYS  24  16.287   9.008   3.373
  199   2HD   LYS  24          2HD       LYS  24  16.308   7.495   2.465
  200   1HE   LYS  24          1HE       LYS  24  18.808   7.954   2.053
  201   2HE   LYS  24          2HE       LYS  24  18.669   9.181   3.329
  202   1HZ   LYS  24          1HZ       LYS  24  17.414   6.619   3.881
  203   2HZ   LYS  24          2HZ       LYS  24  19.112   6.602   3.835
  204   3HZ   LYS  24          3HZ       LYS  24  18.305   7.636   4.910
  205    H    ALA  25           H        ALA  25  18.614  10.321  -1.351
  206    HA   ALA  25           HA       ALA  25  19.566   9.043  -3.872
  207   1HB   ALA  25          1HB       ALA  25  18.676  11.807  -3.470
  208   2HB   ALA  25          2HB       ALA  25  20.301  11.700  -4.146
  209   3HB   ALA  25          3HB       ALA  25  18.949  10.923  -4.972
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -27.978  -4.347   1.591
    2   2H    MET   1          2H        MET   1 -28.215  -6.002   1.311
    3   3H    MET   1          3H        MET   1 -29.291  -5.149   2.309
    4    HA   MET   1           HA       MET   1 -28.024  -5.429   4.112
    5   1HB   MET   1          1HB       MET   1 -27.276  -7.363   2.050
    6   2HB   MET   1          2HB       MET   1 -25.985  -7.124   3.226
    7   1HG   MET   1          1HG       MET   1 -28.248  -7.232   4.814
    8   2HG   MET   1          2HG       MET   1 -28.591  -8.425   3.560
    9   1HE   MET   1          1HE       MET   1 -28.550  -8.908   6.342
   10   2HE   MET   1          2HE       MET   1 -27.341 -10.064   6.918
   11   3HE   MET   1          3HE       MET   1 -27.074  -8.334   7.115
   12    HA   PRO   2           HA       PRO   2 -23.619  -4.009   2.941
   13   1HB   PRO   2          1HB       PRO   2 -22.996  -3.756   0.289
   14   2HB   PRO   2          2HB       PRO   2 -22.794  -5.273   1.189
   15   1HG   PRO   2          1HG       PRO   2 -24.947  -4.462  -0.693
   16   2HG   PRO   2          2HG       PRO   2 -24.188  -6.043  -0.457
   17   1HD   PRO   2          1HD       PRO   2 -26.645  -5.353   0.543
   18   2HD   PRO   2          2HD       PRO   2 -25.599  -6.607   1.246
   19    H    GLY   3           H        GLY   3 -22.764  -1.841   2.358
   20   1HA   GLY   3          1HA       GLY   3 -24.786  -0.003   1.163
   21   2HA   GLY   3          2HA       GLY   3 -24.069   0.390   2.727
   22    H    THR   4           H        THR   4 -22.420   1.824   2.552
   23    HA   THR   4           HA       THR   4 -20.959   2.009  -0.025
   24    HB   THR   4           HB       THR   4 -21.862   4.090   1.001
   25    HG1  THR   4           HG1      THR   4 -19.891   4.055  -0.247
   26   1HG2  THR   4          1HG2      THR   4 -20.607   2.936   3.339
   27   2HG2  THR   4          2HG2      THR   4 -20.001   4.568   3.055
   28   3HG2  THR   4          3HG2      THR   4 -21.733   4.289   3.238
   29    H    ILE   5           H        ILE   5 -20.392  -0.291   1.500
   30    HA   ILE   5           HA       ILE   5 -17.573   0.285   2.302
   31    HB   ILE   5           HB       ILE   5 -19.307  -1.794   3.645
   32   1HG1  ILE   5          1HG1      ILE   5 -19.160   0.059   5.544
   33   2HG1  ILE   5          2HG1      ILE   5 -19.029   1.146   4.161
   34   1HG2  ILE   5          1HG2      ILE   5 -16.529  -0.985   3.753
   35   2HG2  ILE   5          2HG2      ILE   5 -17.291  -0.772   5.330
   36   3HG2  ILE   5          3HG2      ILE   5 -17.317  -2.351   4.544
   37   1HD1  ILE   5          1HD1      ILE   5 -21.085  -0.484   3.371
   38   2HD1  ILE   5          2HD1      ILE   5 -21.348  -0.409   5.114
   39   3HD1  ILE   5          3HD1      ILE   5 -21.301   1.077   4.164
   40    H    LYS   6           H        LYS   6 -17.505  -0.407  -0.114
   41    HA   LYS   6           HA       LYS   6 -17.299  -3.392  -0.219
   42   1HB   LYS   6          1HB       LYS   6 -17.648  -2.887  -2.795
   43   2HB   LYS   6          2HB       LYS   6 -19.038  -3.017  -1.718
   44   1HG   LYS   6          1HG       LYS   6 -19.030  -0.558  -1.427
   45   2HG   LYS   6          2HG       LYS   6 -17.666  -0.439  -2.539
   46   1HD   LYS   6          1HD       LYS   6 -19.916  -1.999  -3.608
   47   2HD   LYS   6          2HD       LYS   6 -20.317  -0.312  -3.282
   48   1HE   LYS   6          1HE       LYS   6 -17.740  -0.925  -4.699
   49   2HE   LYS   6          2HE       LYS   6 -19.260  -0.967  -5.615
   50   1HZ   LYS   6          1HZ       LYS   6 -18.898   1.249  -3.755
   51   2HZ   LYS   6          2HZ       LYS   6 -17.946   1.285  -5.163
   52   3HZ   LYS   6          3HZ       LYS   6 -19.636   1.228  -5.286
   53    H    GLU   7           H        GLU   7 -15.078  -2.237   0.649
   54    HA   GLU   7           HA       GLU   7 -12.823  -1.761   0.173
   55   1HB   GLU   7          1HB       GLU   7 -13.158  -4.126  -0.715
   56   2HB   GLU   7          2HB       GLU   7 -13.335  -3.405  -2.315
   57   1HG   GLU   7          1HG       GLU   7 -11.117  -2.551  -2.297
   58   2HG   GLU   7          2HG       GLU   7 -10.946  -2.819  -0.562
   59    H    ASN   8           H        ASN   8 -13.953   0.483  -0.387
   60    HA   ASN   8           HA       ASN   8 -13.340   1.139  -3.238
   61   1HB   ASN   8          1HB       ASN   8 -15.708   1.498  -2.362
   62   2HB   ASN   8          2HB       ASN   8 -15.039   2.769  -1.339
   63   1HD2  ASN   8          2HD2      ASN   8 -15.163   4.801  -2.285
   64   2HD2  ASN   8          1HD2      ASN   8 -15.119   5.109  -3.953
   65    H    ILE   9           H        ILE   9 -11.168   1.003  -1.488
   66    HA   ILE   9           HA       ILE   9 -10.551   3.895  -1.097
   67    HB   ILE   9           HB       ILE   9  -9.474   1.592   0.543
   68   1HG1  ILE   9          1HG1      ILE   9 -10.874   2.764   2.353
   69   2HG1  ILE   9          2HG1      ILE   9 -11.690   3.592   1.026
   70   1HG2  ILE   9          1HG2      ILE   9  -9.240   4.603   0.848
   71   2HG2  ILE   9          2HG2      ILE   9  -8.618   3.412   1.990
   72   3HG2  ILE   9          3HG2      ILE   9  -7.942   3.512   0.363
   73   1HD1  ILE   9          1HD1      ILE   9 -11.448   0.710   0.577
   74   2HD1  ILE   9          2HD1      ILE   9 -12.372   1.097   2.029
   75   3HD1  ILE   9          3HD1      ILE   9 -12.871   1.747   0.467
   76    H    ILE  10           H        ILE  10  -9.445   0.772  -2.133
   77    HA   ILE  10           HA       ILE  10  -7.346   0.110  -3.050
   78    HB   ILE  10           HB       ILE  10  -8.894   0.744  -4.893
   79   1HG1  ILE  10          1HG1      ILE  10  -6.637   1.618  -6.290
   80   2HG1  ILE  10          2HG1      ILE  10  -5.987   0.669  -4.955
   81   1HG2  ILE  10          1HG2      ILE  10  -8.792   3.245  -4.109
   82   2HG2  ILE  10          2HG2      ILE  10  -7.364   3.322  -5.139
   83   3HG2  ILE  10          3HG2      ILE  10  -8.928   2.889  -5.829
   84   1HD1  ILE  10          1HD1      ILE  10  -8.338  -0.495  -6.341
   85   2HD1  ILE  10          2HD1      ILE  10  -6.844  -0.440  -7.276
   86   3HD1  ILE  10          3HD1      ILE  10  -6.886  -1.286  -5.729
   87    H    GLY  11           H        GLY  11  -6.690   1.763  -0.918
   88   1HA   GLY  11          1HA       GLY  11  -4.516   3.455  -2.091
   89   2HA   GLY  11          2HA       GLY  11  -5.358   3.889  -0.603
   90    H    VAL  12           H        VAL  12  -4.021   0.769  -1.719
   91    HA   VAL  12           HA       VAL  12  -2.853   0.325   0.932
   92    HB   VAL  12           HB       VAL  12  -3.664  -1.294  -1.269
   93   1HG1  VAL  12          1HG1      VAL  12  -1.272  -1.168  -2.011
   94   2HG1  VAL  12          2HG1      VAL  12  -0.802  -1.867  -0.461
   95   3HG1  VAL  12          3HG1      VAL  12  -1.791  -2.799  -1.586
   96   1HG2  VAL  12          1HG2      VAL  12  -3.997  -1.585   1.226
   97   2HG2  VAL  12          2HG2      VAL  12  -3.540  -3.051   0.358
   98   3HG2  VAL  12          3HG2      VAL  12  -2.335  -2.172   1.298
   99    H    SER  13           H        SER  13  -1.765   1.218  -2.286
  100    HA   SER  13           HA       SER  13   0.925   0.755  -2.221
  101   1HB   SER  13          1HB       SER  13  -0.605   3.156  -3.198
  102   2HB   SER  13          2HB       SER  13   1.149   3.099  -3.343
  103    HG   SER  13           HG       SER  13  -0.593   1.047  -4.245
  104    H    TYR  14           H        TYR  14   1.941   0.824  -0.212
  105    HA   TYR  14           HA       TYR  14   2.122   3.525   1.066
  106   1HB   TYR  14          1HB       TYR  14   1.069   1.272   2.232
  107   2HB   TYR  14          2HB       TYR  14   2.752   1.190   2.753
  108    HD1  TYR  14           HD1      TYR  14   0.232   3.926   2.213
  109    HD2  TYR  14           HD2      TYR  14   3.131   2.147   4.835
  110    HE1  TYR  14           HE1      TYR  14  -0.201   5.698   3.893
  111    HE2  TYR  14           HE2      TYR  14   2.698   3.919   6.516
  112    HH   TYR  14           HH       TYR  14   1.826   6.196   6.600
  113    H    ASP  15           H        ASP  15   3.827   0.428   0.571
  114    HA   ASP  15           HA       ASP  15   6.398   1.862   0.937
  115   1HB   ASP  15          1HB       ASP  15   7.056  -0.776   0.663
  116   2HB   ASP  15          2HB       ASP  15   6.760   0.012   2.207
  117    H    GLU  16           H        GLU  16   5.174   2.504  -1.418
  118    HA   GLU  16           HA       GLU  16   5.489   0.881  -3.665
  119   1HB   GLU  16          1HB       GLU  16   4.553   3.206  -3.668
  120   2HB   GLU  16          2HB       GLU  16   6.198   3.828  -3.534
  121   1HG   GLU  16          1HG       GLU  16   6.804   3.026  -5.671
  122   2HG   GLU  16          2HG       GLU  16   5.437   1.914  -5.737
  123    H    TYR  17           H        TYR  17   7.951   2.266  -1.647
  124    HA   TYR  17           HA       TYR  17  10.018   1.326  -3.592
  125   1HB   TYR  17          1HB       TYR  17  11.172   2.955  -1.526
  126   2HB   TYR  17          2HB       TYR  17  11.115   3.269  -3.257
  127    HD1  TYR  17           HD1      TYR  17   8.915   4.262  -4.212
  128    HD2  TYR  17           HD2      TYR  17   9.926   4.280  -0.035
  129    HE1  TYR  17           HE1      TYR  17   7.284   6.089  -3.825
  130    HE2  TYR  17           HE2      TYR  17   8.294   6.108   0.351
  131    HH   TYR  17           HH       TYR  17   7.176   7.868  -0.899
  132    H    ARG  18           H        ARG  18   8.657  -0.418  -1.791
  133    HA   ARG  18           HA       ARG  18   9.027  -1.892   0.014
  134   1HB   ARG  18          1HB       ARG  18  10.992  -2.117  -2.014
  135   2HB   ARG  18          2HB       ARG  18  11.832  -2.306  -0.475
  136   1HG   ARG  18          1HG       ARG  18   9.434  -3.763  -0.209
  137   2HG   ARG  18          2HG       ARG  18  10.054  -4.158  -1.811
  138   1HD   ARG  18          1HD       ARG  18  11.778  -5.347  -0.959
  139   2HD   ARG  18          2HD       ARG  18  12.161  -4.090   0.219
  140    HE   ARG  18           HE       ARG  18  10.124  -5.093   1.510
  141   1HH1  ARG  18          1HH1      ARG  18  10.476  -7.196  -0.916
  142   2HH1  ARG  18          2HH1      ARG  18  11.033  -8.545   0.017
  143   1HH2  ARG  18          1HH2      ARG  18  11.602  -6.670   2.877
  144   2HH2  ARG  18          2HH2      ARG  18  11.672  -8.246   2.164
  145    H    TYR  19           H        TYR  19   9.426   0.894   0.711
  146    HA   TYR  19           HA       TYR  19  10.140   2.061   2.622
  147   1HB   TYR  19          1HB       TYR  19  10.059  -0.580   3.416
  148   2HB   TYR  19          2HB       TYR  19  11.718  -0.116   3.794
  149    HD1  TYR  19           HD1      TYR  19  12.079   2.082   5.103
  150    HD2  TYR  19           HD2      TYR  19   8.284   0.091   4.812
  151    HE1  TYR  19           HE1      TYR  19  11.277   3.316   7.100
  152    HE2  TYR  19           HE2      TYR  19   7.483   1.324   6.809
  153    HH   TYR  19           HH       TYR  19   8.800   2.459   8.916
  154    H    ARG  20           H        ARG  20  12.141   0.870   0.277
  155    HA   ARG  20           HA       ARG  20  14.434   1.104  -0.213
  156   1HB   ARG  20          1HB       ARG  20  13.397   3.315  -0.674
  157   2HB   ARG  20          2HB       ARG  20  13.772   3.806   0.973
  158   1HG   ARG  20          1HG       ARG  20  15.704   4.595   0.048
  159   2HG   ARG  20          2HG       ARG  20  16.215   2.909   0.129
  160   1HD   ARG  20          1HD       ARG  20  14.617   3.778  -2.243
  161   2HD   ARG  20          2HD       ARG  20  16.313   4.257  -2.161
  162    HE   ARG  20           HE       ARG  20  15.730   1.394  -1.708
  163   1HH1  ARG  20          1HH2      ARG  20  15.146   2.316  -4.563
  164   2HH1  ARG  20          2HH2      ARG  20  16.661   1.986  -5.334
  165   1HH2  ARG  20          1HH1      ARG  20  18.407   1.664  -2.354
  166   2HH2  ARG  20          2HH1      ARG  20  18.508   1.616  -4.082
  167    H    SER  21           H        SER  21  14.055  -0.140   2.313
  168    HA   SER  21           HA       SER  21  15.967   1.184   4.139
  169   1HB   SER  21          1HB       SER  21  13.729  -0.397   4.574
  170   2HB   SER  21          2HB       SER  21  15.064  -1.505   4.877
  171    HG   SER  21           HG       SER  21  15.234  -0.516   6.716
  172    H    VAL  22           H        VAL  22  16.975   0.285   1.622
  173    HA   VAL  22           HA       VAL  22  18.978  -1.677   2.619
  174    HB   VAL  22           HB       VAL  22  17.523  -1.902  -0.034
  175   1HG1  VAL  22          1HG1      VAL  22  20.005  -2.516   0.046
  176   2HG1  VAL  22          2HG1      VAL  22  19.550  -3.801   1.163
  177   3HG1  VAL  22          3HG1      VAL  22  18.910  -3.794  -0.480
  178   1HG2  VAL  22          1HG2      VAL  22  16.281  -2.636   2.058
  179   2HG2  VAL  22          2HG2      VAL  22  16.545  -3.909   0.867
  180   3HG2  VAL  22          3HG2      VAL  22  17.558  -3.827   2.308
  181    H    ILE  23           H        ILE  23  20.092   0.530   2.697
  182    HA   ILE  23           HA       ILE  23  20.951   1.456   0.003
  183    HB   ILE  23           HB       ILE  23  21.745   2.744   2.611
  184   1HG1  ILE  23          1HG1      ILE  23  19.602   4.215   1.826
  185   2HG1  ILE  23          2HG1      ILE  23  19.061   2.606   1.343
  186   1HG2  ILE  23          1HG2      ILE  23  22.532   3.289   0.117
  187   2HG2  ILE  23          2HG2      ILE  23  21.013   4.185   0.097
  188   3HG2  ILE  23          3HG2      ILE  23  22.250   4.573   1.292
  189   1HD1  ILE  23          1HD1      ILE  23  20.205   2.243   3.876
  190   2HD1  ILE  23          2HD1      ILE  23  19.281   3.740   4.008
  191   3HD1  ILE  23          3HD1      ILE  23  18.484   2.254   3.492
  192    H    LYS  24           H        LYS  24  21.938  -1.052   0.753
  193    HA   LYS  24           HA       LYS  24  24.835  -0.428   0.960
  194   1HB   LYS  24          1HB       LYS  24  23.309  -2.339   2.741
  195   2HB   LYS  24          2HB       LYS  24  25.054  -2.455   2.507
  196   1HG   LYS  24          1HG       LYS  24  23.924   0.221   3.199
  197   2HG   LYS  24          2HG       LYS  24  24.009  -0.990   4.480
  198   1HD   LYS  24          1HD       LYS  24  26.152  -0.284   4.736
  199   2HD   LYS  24          2HD       LYS  24  26.477  -1.248   3.294
  200   1HE   LYS  24          1HE       LYS  24  27.233   0.718   2.405
  201   2HE   LYS  24          2HE       LYS  24  25.514   1.118   2.223
  202   1HZ   LYS  24          1HZ       LYS  24  25.892   1.633   4.812
  203   2HZ   LYS  24          2HZ       LYS  24  27.424   2.044   4.203
  204   3HZ   LYS  24          3HZ       LYS  24  26.033   2.808   3.598
  205    H    ALA  25           H        ALA  25  25.432  -1.161  -1.043
  206    HA   ALA  25           HA       ALA  25  25.914  -2.740  -2.718
  207   1HB   ALA  25          1HB       ALA  25  25.461  -4.297  -0.332
  208   2HB   ALA  25          2HB       ALA  25  24.781  -5.139  -1.723
  209   3HB   ALA  25          3HB       ALA  25  26.483  -4.676  -1.719
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -11.573  -4.651  -4.014
    2   2H    MET   1          2H        MET   1 -11.063  -5.669  -2.752
    3   3H    MET   1          3H        MET   1 -12.086  -6.271  -3.963
    4    HA   MET   1           HA       MET   1 -13.570  -5.907  -2.236
    5   1HB   MET   1          1HB       MET   1 -11.537  -4.710  -1.088
    6   2HB   MET   1          2HB       MET   1 -12.297  -3.234  -1.686
    7   1HG   MET   1          1HG       MET   1 -14.105  -3.431  -0.278
    8   2HG   MET   1          2HG       MET   1 -14.066  -5.195  -0.308
    9   1HE   MET   1          1HE       MET   1 -13.368  -6.562   1.395
   10   2HE   MET   1          2HE       MET   1 -11.738  -6.471   0.711
   11   3HE   MET   1          3HE       MET   1 -11.975  -6.344   2.452
   12    HA   PRO   2           HA       PRO   2 -15.853  -3.544  -5.243
   13   1HB   PRO   2          1HB       PRO   2 -18.334  -4.058  -4.210
   14   2HB   PRO   2          2HB       PRO   2 -17.425  -5.242  -5.173
   15   1HG   PRO   2          1HG       PRO   2 -17.763  -5.062  -2.221
   16   2HG   PRO   2          2HG       PRO   2 -17.723  -6.490  -3.269
   17   1HD   PRO   2          1HD       PRO   2 -15.607  -5.672  -1.755
   18   2HD   PRO   2          2HD       PRO   2 -15.438  -6.588  -3.269
   19    H    GLY   3           H        GLY   3 -14.776  -1.617  -4.023
   20   1HA   GLY   3          1HA       GLY   3 -16.858   0.195  -3.154
   21   2HA   GLY   3          2HA       GLY   3 -15.857  -0.322  -1.796
   22    H    THR   4           H        THR   4 -15.971   2.366  -2.726
   23    HA   THR   4           HA       THR   4 -13.368   2.736  -4.124
   24    HB   THR   4           HB       THR   4 -15.440   3.954  -4.935
   25    HG1  THR   4           HG1      THR   4 -13.727   5.008  -5.600
   26   1HG2  THR   4          1HG2      THR   4 -15.560   4.610  -2.145
   27   2HG2  THR   4          2HG2      THR   4 -15.384   6.100  -3.074
   28   3HG2  THR   4          3HG2      THR   4 -16.721   5.000  -3.415
   29    H    ILE   5           H        ILE   5 -12.842   1.814  -1.705
   30    HA   ILE   5           HA       ILE   5 -12.696   3.969   0.285
   31    HB   ILE   5           HB       ILE   5 -11.272   1.323   0.498
   32   1HG1  ILE   5          1HG1      ILE   5 -13.649   0.812   1.692
   33   2HG1  ILE   5          2HG1      ILE   5 -14.195   1.850   0.375
   34   1HG2  ILE   5          1HG2      ILE   5 -12.157   3.509   2.275
   35   2HG2  ILE   5          2HG2      ILE   5 -12.476   1.888   2.890
   36   3HG2  ILE   5          3HG2      ILE   5 -10.831   2.366   2.473
   37   1HD1  ILE   5          1HD1      ILE   5 -12.218  -0.123  -0.495
   38   2HD1  ILE   5          2HD1      ILE   5 -13.670  -0.866   0.175
   39   3HD1  ILE   5          3HD1      ILE   5 -13.799   0.257  -1.178
   40    H    LYS   6           H        LYS   6 -11.333   4.661  -2.077
   41    HA   LYS   6           HA       LYS   6  -9.200   5.209  -2.934
   42   1HB   LYS   6          1HB       LYS   6  -9.721   6.703  -0.855
   43   2HB   LYS   6          2HB       LYS   6  -8.470   5.743  -0.065
   44   1HG   LYS   6          1HG       LYS   6  -6.810   6.428  -1.617
   45   2HG   LYS   6          2HG       LYS   6  -8.012   7.052  -2.748
   46   1HD   LYS   6          1HD       LYS   6  -8.664   8.740  -0.979
   47   2HD   LYS   6          2HD       LYS   6  -7.264   8.203  -0.048
   48   1HE   LYS   6          1HE       LYS   6  -6.348   8.668  -2.704
   49   2HE   LYS   6          2HE       LYS   6  -7.320  10.074  -2.229
   50   1HZ   LYS   6          1HZ       LYS   6  -5.522   8.906  -0.235
   51   2HZ   LYS   6          2HZ       LYS   6  -4.823   9.836  -1.473
   52   3HZ   LYS   6          3HZ       LYS   6  -5.992  10.522  -0.449
   53    H    GLU   7           H        GLU   7  -9.368   2.428  -2.505
   54    HA   GLU   7           HA       GLU   7  -8.021   0.531  -2.148
   55   1HB   GLU   7          1HB       GLU   7  -6.647   2.282  -3.706
   56   2HB   GLU   7          2HB       GLU   7  -5.531   2.134  -2.348
   57   1HG   GLU   7          1HG       GLU   7  -5.565  -0.318  -2.572
   58   2HG   GLU   7          2HG       GLU   7  -6.694  -0.183  -3.921
   59    H    ASN   8           H        ASN   8  -8.831   1.040   0.236
   60    HA   ASN   8           HA       ASN   8  -6.441   1.529   1.962
   61   1HB   ASN   8          1HB       ASN   8  -8.669   2.924   2.129
   62   2HB   ASN   8          2HB       ASN   8  -9.255   1.510   3.002
   63   1HD2  ASN   8          2HD2      ASN   8  -6.224   3.486   2.957
   64   2HD2  ASN   8          1HD2      ASN   8  -6.075   3.553   4.647
   65    H    ILE   9           H        ILE   9  -6.406  -0.938   0.930
   66    HA   ILE   9           HA       ILE   9  -7.927  -2.866   2.507
   67    HB   ILE   9           HB       ILE   9  -5.431  -3.452   0.931
   68   1HG1  ILE   9          1HG1      ILE   9  -6.738  -2.050  -0.540
   69   2HG1  ILE   9          2HG1      ILE   9  -6.990  -3.719  -1.051
   70   1HG2  ILE   9          1HG2      ILE   9  -6.637  -5.220   2.305
   71   2HG2  ILE   9          2HG2      ILE   9  -8.012  -5.015   1.220
   72   3HG2  ILE   9          3HG2      ILE   9  -6.471  -5.598   0.590
   73   1HD1  ILE   9          1HD1      ILE   9  -8.923  -3.169   0.959
   74   2HD1  ILE   9          2HD1      ILE   9  -8.947  -1.812  -0.167
   75   3HD1  ILE   9          3HD1      ILE   9  -9.203  -3.454  -0.759
   76    H    ILE  10           H        ILE  10  -5.347  -0.920   3.231
   77    HA   ILE  10           HA       ILE  10  -3.722  -0.926   4.884
   78    HB   ILE  10           HB       ILE  10  -6.072  -1.771   5.957
   79   1HG1  ILE  10          1HG1      ILE  10  -4.533  -1.689   8.169
   80   2HG1  ILE  10          2HG1      ILE  10  -3.404  -1.007   7.001
   81   1HG2  ILE  10          1HG2      ILE  10  -4.886  -4.177   5.720
   82   2HG2  ILE  10          2HG2      ILE  10  -4.198  -3.683   7.263
   83   3HG2  ILE  10          3HG2      ILE  10  -5.948  -3.779   7.069
   84   1HD1  ILE  10          1HD1      ILE  10  -5.318   0.524   6.267
   85   2HD1  ILE  10          2HD1      ILE  10  -6.162  -0.004   7.722
   86   3HD1  ILE  10          3HD1      ILE  10  -4.626   0.852   7.856
   87    H    GLY  11           H        GLY  11  -3.358  -2.635   2.600
   88   1HA   GLY  11          1HA       GLY  11  -1.247  -4.364   3.716
   89   2HA   GLY  11          2HA       GLY  11  -2.499  -5.192   2.786
   90    H    VAL  12           H        VAL  12  -2.976  -3.181   0.856
   91    HA   VAL  12           HA       VAL  12  -0.506  -3.459  -0.767
   92    HB   VAL  12           HB       VAL  12  -3.295  -3.634  -1.315
   93   1HG1  VAL  12          1HG1      VAL  12  -1.952  -1.314  -2.714
   94   2HG1  VAL  12          2HG1      VAL  12  -3.384  -2.128  -3.347
   95   3HG1  VAL  12          3HG1      VAL  12  -3.458  -1.289  -1.797
   96   1HG2  VAL  12          1HG2      VAL  12  -0.759  -4.319  -2.451
   97   2HG2  VAL  12          2HG2      VAL  12  -2.335  -5.041  -2.776
   98   3HG2  VAL  12          3HG2      VAL  12  -1.788  -3.655  -3.719
   99    H    SER  13           H        SER  13  -2.339  -1.140   0.989
  100    HA   SER  13           HA       SER  13  -1.813   1.205  -0.423
  101   1HB   SER  13          1HB       SER  13  -2.942   0.626   2.013
  102   2HB   SER  13          2HB       SER  13  -1.483   1.489   2.490
  103    HG   SER  13           HG       SER  13  -3.405   2.364   0.586
  104    H    TYR  14           H        TYR  14  -0.260   2.912   1.097
  105    HA   TYR  14           HA       TYR  14   2.462   1.708   0.790
  106   1HB   TYR  14          1HB       TYR  14   1.403   3.881  -0.535
  107   2HB   TYR  14          2HB       TYR  14   2.273   4.643   0.795
  108    HD1  TYR  14           HD1      TYR  14   2.788   1.758  -1.560
  109    HD2  TYR  14           HD2      TYR  14   4.485   5.202   0.365
  110    HE1  TYR  14           HE1      TYR  14   4.935   1.357  -2.734
  111    HE2  TYR  14           HE2      TYR  14   6.632   4.801  -0.811
  112    HH   TYR  14           HH       TYR  14   7.720   2.413  -1.885
  113    H    ASP  15           H        ASP  15   0.335   2.455   3.139
  114    HA   ASP  15           HA       ASP  15   2.435   3.582   4.946
  115   1HB   ASP  15          1HB       ASP  15  -0.060   4.581   4.500
  116   2HB   ASP  15          2HB       ASP  15  -0.377   3.523   5.874
  117    H    GLU  16           H        GLU  16   2.772   0.939   4.521
  118    HA   GLU  16           HA       GLU  16   2.258  -0.194   7.153
  119   1HB   GLU  16          1HB       GLU  16   0.107  -0.594   5.799
  120   2HB   GLU  16          2HB       GLU  16   1.067  -1.707   4.824
  121   1HG   GLU  16          1HG       GLU  16   1.381  -3.198   6.585
  122   2HG   GLU  16          2HG       GLU  16   1.145  -1.954   7.813
  123    H    TYR  17           H        TYR  17   2.999  -1.224   3.789
  124    HA   TYR  17           HA       TYR  17   5.517  -2.406   4.868
  125   1HB   TYR  17          1HB       TYR  17   3.361  -3.856   3.827
  126   2HB   TYR  17          2HB       TYR  17   4.519  -3.780   2.501
  127    HD1  TYR  17           HD1      TYR  17   4.129  -4.707   6.089
  128    HD2  TYR  17           HD2      TYR  17   6.526  -5.052   2.540
  129    HE1  TYR  17           HE1      TYR  17   5.503  -6.456   7.186
  130    HE2  TYR  17           HE2      TYR  17   7.901  -6.799   3.638
  131    HH   TYR  17           HH       TYR  17   7.069  -8.543   6.049
  132    H    ARG  18           H        ARG  18   4.731   0.109   3.424
  133    HA   ARG  18           HA       ARG  18   5.326   1.315   1.445
  134   1HB   ARG  18          1HB       ARG  18   7.463   0.726   3.227
  135   2HB   ARG  18          2HB       ARG  18   8.110   0.661   1.587
  136   1HG   ARG  18          1HG       ARG  18   8.299   2.943   2.212
  137   2HG   ARG  18          2HG       ARG  18   6.861   2.877   1.193
  138   1HD   ARG  18          1HD       ARG  18   5.485   2.623   3.295
  139   2HD   ARG  18          2HD       ARG  18   6.954   2.941   4.219
  140    HE   ARG  18           HE       ARG  18   5.853   4.921   2.264
  141   1HH1  ARG  18          1HH1      ARG  18   8.559   5.060   3.834
  142   2HH1  ARG  18          2HH1      ARG  18   8.128   6.215   5.052
  143   1HH2  ARG  18          1HH2      ARG  18   4.721   5.963   4.465
  144   2HH2  ARG  18          2HH2      ARG  18   5.957   6.724   5.411
  145    H    TYR  19           H        TYR  19   4.433  -1.225   0.598
  146    HA   TYR  19           HA       TYR  19   4.621  -2.724  -1.206
  147   1HB   TYR  19          1HB       TYR  19   4.606  -0.528  -2.410
  148   2HB   TYR  19          2HB       TYR  19   6.369  -0.522  -2.342
  149    HD1  TYR  19           HD1      TYR  19   3.502  -2.685  -3.416
  150    HD2  TYR  19           HD2      TYR  19   7.593  -1.542  -4.054
  151    HE1  TYR  19           HE1      TYR  19   3.589  -4.123  -5.435
  152    HE2  TYR  19           HE2      TYR  19   7.680  -2.980  -6.074
  153    HH   TYR  19           HH       TYR  19   4.915  -4.251  -7.543
  154    H    ARG  20           H        ARG  20   6.407  -3.257   0.887
  155    HA   ARG  20           HA       ARG  20   8.494  -4.225   1.384
  156   1HB   ARG  20          1HB       ARG  20   7.353  -6.055   0.261
  157   2HB   ARG  20          2HB       ARG  20   7.814  -5.414  -1.315
  158   1HG   ARG  20          1HG       ARG  20   9.944  -6.219  -1.161
  159   2HG   ARG  20          2HG       ARG  20  10.061  -5.843   0.558
  160   1HD   ARG  20          1HD       ARG  20   9.599  -7.977   1.096
  161   2HD   ARG  20          2HD       ARG  20   8.099  -7.914   0.173
  162    HE   ARG  20           HE       ARG  20  10.253  -9.435  -0.643
  163   1HH1  ARG  20          1HH2      ARG  20   7.901  -9.235  -2.402
  164   2HH1  ARG  20          2HH2      ARG  20   8.531  -8.456  -3.814
  165   1HH2  ARG  20          1HH1      ARG  20  11.396  -7.315  -2.231
  166   2HH2  ARG  20          2HH1      ARG  20  10.514  -7.376  -3.720
  167    H    SER  21           H        SER  21   8.882  -1.650   0.402
  168    HA   SER  21           HA       SER  21  11.572  -1.890  -0.706
  169   1HB   SER  21          1HB       SER  21   9.272  -0.929  -2.382
  170   2HB   SER  21          2HB       SER  21  10.860  -0.197  -2.595
  171    HG   SER  21           HG       SER  21  11.694  -2.254  -3.007
  172    H    VAL  22           H        VAL  22  10.757  -0.883   1.712
  173    HA   VAL  22           HA       VAL  22  10.052   1.804   1.928
  174    HB   VAL  22           HB       VAL  22  10.313   0.488   3.920
  175   1HG1  VAL  22          1HG1      VAL  22  12.671  -0.393   2.600
  176   2HG1  VAL  22          2HG1      VAL  22  13.165   0.302   4.145
  177   3HG1  VAL  22          3HG1      VAL  22  11.981  -1.003   4.104
  178   1HG2  VAL  22          1HG2      VAL  22  11.651   3.004   3.567
  179   2HG2  VAL  22          2HG2      VAL  22  10.872   2.372   5.016
  180   3HG2  VAL  22          3HG2      VAL  22  12.574   2.028   4.708
  181    H    ILE  23           H        ILE  23  13.002   0.457   0.740
  182    HA   ILE  23           HA       ILE  23  14.386   3.069   0.831
  183    HB   ILE  23           HB       ILE  23  15.222   0.307  -0.099
  184   1HG1  ILE  23          1HG1      ILE  23  16.852   0.533   1.727
  185   2HG1  ILE  23          2HG1      ILE  23  16.272   2.164   2.063
  186   1HG2  ILE  23          1HG2      ILE  23  16.300   2.942  -0.820
  187   2HG2  ILE  23          2HG2      ILE  23  17.500   1.878  -0.088
  188   3HG2  ILE  23          3HG2      ILE  23  16.629   1.363  -1.531
  189   1HD1  ILE  23          1HD1      ILE  23  14.476  -0.270   2.155
  190   2HD1  ILE  23          2HD1      ILE  23  15.330   0.347   3.569
  191   3HD1  ILE  23          3HD1      ILE  23  14.127   1.349   2.760
  192    H    LYS  24           H        LYS  24  12.148   3.387  -0.607
  193    HA   LYS  24           HA       LYS  24  12.522   2.782  -3.428
  194   1HB   LYS  24          1HB       LYS  24  10.319   3.253  -3.499
  195   2HB   LYS  24          2HB       LYS  24  10.381   3.616  -1.781
  196   1HG   LYS  24          1HG       LYS  24  11.107   5.702  -3.849
  197   2HG   LYS  24          2HG       LYS  24   9.439   5.438  -3.354
  198   1HD   LYS  24          1HD       LYS  24   9.937   5.965  -1.066
  199   2HD   LYS  24          2HD       LYS  24  11.673   5.962  -1.380
  200   1HE   LYS  24          1HE       LYS  24  11.569   8.165  -1.890
  201   2HE   LYS  24          2HE       LYS  24  10.437   7.800  -3.208
  202   1HZ   LYS  24          1HZ       LYS  24   9.549   7.816  -0.390
  203   2HZ   LYS  24          2HZ       LYS  24   9.594   9.252  -1.291
  204   3HZ   LYS  24          3HZ       LYS  24   8.611   7.963  -1.799
  205    H    ALA  25           H        ALA  25  13.054   4.284  -5.086
  206    HA   ALA  25           HA       ALA  25  13.921   6.995  -4.333
  207   1HB   ALA  25          1HB       ALA  25  15.789   4.773  -4.669
  208   2HB   ALA  25          2HB       ALA  25  16.123   6.098  -5.784
  209   3HB   ALA  25          3HB       ALA  25  16.083   6.397  -4.046
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -14.187 -10.900  -5.060
    2   2H    MET   1          2H        MET   1 -15.681 -10.428  -4.411
    3   3H    MET   1          3H        MET   1 -15.399 -10.290  -6.081
    4    HA   MET   1           HA       MET   1 -14.145  -8.405  -5.878
    5   1HB   MET   1          1HB       MET   1 -16.520  -8.294  -4.892
    6   2HB   MET   1          2HB       MET   1 -15.742  -8.311  -3.309
    7   1HG   MET   1          1HG       MET   1 -15.209  -6.131  -3.482
    8   2HG   MET   1          2HG       MET   1 -14.441  -6.396  -5.047
    9   1HE   MET   1          1HE       MET   1 -15.710  -3.969  -4.043
   10   2HE   MET   1          2HE       MET   1 -15.525  -3.731  -5.780
   11   3HE   MET   1          3HE       MET   1 -17.073  -3.387  -4.997
   12    HA   PRO   2           HA       PRO   2 -10.958  -9.687  -2.869
   13   1HB   PRO   2          1HB       PRO   2  -8.844  -8.977  -4.450
   14   2HB   PRO   2          2HB       PRO   2  -9.675 -10.539  -4.595
   15   1HG   PRO   2          1HG       PRO   2  -9.907  -8.106  -6.282
   16   2HG   PRO   2          2HG       PRO   2  -9.978  -9.813  -6.743
   17   1HD   PRO   2          1HD       PRO   2 -12.175  -8.177  -6.465
   18   2HD   PRO   2          2HD       PRO   2 -12.216  -9.951  -6.351
   19    H    GLY   3           H        GLY   3 -11.674  -7.812  -1.556
   20   1HA   GLY   3          1HA       GLY   3 -10.187  -5.962  -0.574
   21   2HA   GLY   3          2HA       GLY   3 -10.210  -5.287  -2.203
   22    H    THR   4           H        THR   4 -11.364  -4.447   0.566
   23    HA   THR   4           HA       THR   4 -14.222  -4.184  -0.169
   24    HB   THR   4           HB       THR   4 -13.634  -4.796   2.169
   25    HG1  THR   4           HG1      THR   4 -15.525  -3.615   1.786
   26   1HG2  THR   4          1HG2      THR   4 -11.938  -2.396   1.847
   27   2HG2  THR   4          2HG2      THR   4 -12.794  -2.508   3.385
   28   3HG2  THR   4          3HG2      THR   4 -11.711  -3.806   2.882
   29    H    ILE   5           H        ILE   5 -12.278  -2.831  -1.765
   30    HA   ILE   5           HA       ILE   5 -11.573  -0.662  -2.427
   31    HB   ILE   5           HB       ILE   5 -13.844  -1.129  -3.382
   32   1HG1  ILE   5          1HG1      ILE   5 -14.276   1.219  -4.009
   33   2HG1  ILE   5          2HG1      ILE   5 -13.236   1.763  -2.694
   34   1HG2  ILE   5          1HG2      ILE   5 -14.982  -1.028  -1.107
   35   2HG2  ILE   5          2HG2      ILE   5 -14.845   0.727  -1.210
   36   3HG2  ILE   5          3HG2      ILE   5 -15.799  -0.154  -2.402
   37   1HD1  ILE   5          1HD1      ILE   5 -12.048  -0.228  -4.545
   38   2HD1  ILE   5          2HD1      ILE   5 -12.342   1.373  -5.222
   39   3HD1  ILE   5          3HD1      ILE   5 -11.317   1.191  -3.798
   40    H    LYS   6           H        LYS   6 -10.938  -0.786   0.242
   41    HA   LYS   6           HA       LYS   6 -11.903   1.851   1.278
   42   1HB   LYS   6          1HB       LYS   6 -12.226  -0.553   2.531
   43   2HB   LYS   6          2HB       LYS   6 -10.676  -0.038   3.196
   44   1HG   LYS   6          1HG       LYS   6 -12.301   0.886   4.663
   45   2HG   LYS   6          2HG       LYS   6 -11.802   2.230   3.634
   46   1HD   LYS   6          1HD       LYS   6 -13.836   1.167   2.151
   47   2HD   LYS   6          2HD       LYS   6 -14.407   0.843   3.788
   48   1HE   LYS   6          1HE       LYS   6 -13.864   3.298   4.313
   49   2HE   LYS   6          2HE       LYS   6 -13.717   3.523   2.559
   50   1HZ   LYS   6          1HZ       LYS   6 -16.038   2.108   3.707
   51   2HZ   LYS   6          2HZ       LYS   6 -16.027   3.802   3.628
   52   3HZ   LYS   6          3HZ       LYS   6 -15.901   2.887   2.202
   53    H    GLU   7           H        GLU   7  -9.816   1.887  -0.510
   54    HA   GLU   7           HA       GLU   7  -7.402   2.139   1.206
   55   1HB   GLU   7          1HB       GLU   7  -6.220   1.132  -0.419
   56   2HB   GLU   7          2HB       GLU   7  -7.750   0.793  -1.219
   57   1HG   GLU   7          1HG       GLU   7  -7.506   3.217  -2.133
   58   2HG   GLU   7          2HG       GLU   7  -5.809   3.017  -1.714
   59    H    ASN   8           H        ASN   8  -9.640   4.036   0.841
   60    HA   ASN   8           HA       ASN   8  -8.200   6.312  -0.431
   61   1HB   ASN   8          1HB       ASN   8 -10.577   5.827  -1.109
   62   2HB   ASN   8          2HB       ASN   8 -11.069   6.212   0.541
   63   1HD2  ASN   8          2HD2      ASN   8  -9.380   7.647  -2.291
   64   2HD2  ASN   8          1HD2      ASN   8  -9.797   9.249  -1.919
   65    H    ILE   9           H        ILE   9  -7.271   5.369   2.080
   66    HA   ILE   9           HA       ILE   9  -7.927   7.731   3.768
   67    HB   ILE   9           HB       ILE   9  -7.553   4.869   4.661
   68   1HG1  ILE   9          1HG1      ILE   9  -9.821   5.642   5.811
   69   2HG1  ILE   9          2HG1      ILE   9  -9.833   6.803   4.482
   70   1HG2  ILE   9          1HG2      ILE   9  -7.134   7.430   6.058
   71   2HG2  ILE   9          2HG2      ILE   9  -8.222   6.323   6.896
   72   3HG2  ILE   9          3HG2      ILE   9  -6.584   5.811   6.489
   73   1HD1  ILE   9          1HD1      ILE   9  -9.490   4.901   2.888
   74   2HD1  ILE   9          2HD1      ILE   9  -9.661   3.789   4.246
   75   3HD1  ILE   9          3HD1      ILE   9 -11.018   4.809   3.767
   76    H    ILE  10           H        ILE  10  -5.676   5.030   3.755
   77    HA   ILE  10           HA       ILE  10  -3.367   6.774   3.328
   78    HB   ILE  10           HB       ILE  10  -4.054   5.643   6.025
   79   1HG1  ILE  10          1HG1      ILE  10  -2.395   7.945   6.109
   80   2HG1  ILE  10          2HG1      ILE  10  -3.577   8.215   4.828
   81   1HG2  ILE  10          1HG2      ILE  10  -1.391   5.558   4.726
   82   2HG2  ILE  10          2HG2      ILE  10  -1.418   6.262   6.342
   83   3HG2  ILE  10          3HG2      ILE  10  -2.009   4.621   6.087
   84   1HD1  ILE  10          1HD1      ILE  10  -4.820   6.996   7.154
   85   2HD1  ILE  10          2HD1      ILE  10  -4.008   8.502   7.583
   86   3HD1  ILE  10          3HD1      ILE  10  -5.241   8.494   6.323
   87    H    GLY  11           H        GLY  11  -3.289   5.237   1.507
   88   1HA   GLY  11          1HA       GLY  11  -1.471   3.090   1.905
   89   2HA   GLY  11          2HA       GLY  11  -3.097   2.412   1.833
   90    H    VAL  12           H        VAL  12  -0.590   4.030   0.014
   91    HA   VAL  12           HA       VAL  12  -2.244   4.007  -2.451
   92    HB   VAL  12           HB       VAL  12   0.586   4.970  -1.944
   93   1HG1  VAL  12          1HG1      VAL  12  -1.049   4.627  -4.391
   94   2HG1  VAL  12          2HG1      VAL  12  -0.249   6.191  -4.230
   95   3HG1  VAL  12          3HG1      VAL  12   0.704   4.708  -4.209
   96   1HG2  VAL  12          1HG2      VAL  12  -1.579   6.139  -0.982
   97   2HG2  VAL  12          2HG2      VAL  12  -0.281   7.092  -1.700
   98   3HG2  VAL  12          3HG2      VAL  12  -1.726   6.722  -2.641
   99    H    SER  13           H        SER  13   1.071   3.018  -1.603
  100    HA   SER  13           HA       SER  13   1.569   1.418  -3.790
  101   1HB   SER  13          1HB       SER  13   3.384   0.596  -2.619
  102   2HB   SER  13          2HB       SER  13   2.981   1.965  -1.588
  103    HG   SER  13           HG       SER  13   2.890   0.422  -0.136
  104    H    TYR  14           H        TYR  14   1.807  -1.151  -3.543
  105    HA   TYR  14           HA       TYR  14  -0.935  -2.115  -2.923
  106   1HB   TYR  14          1HB       TYR  14   0.083  -2.544  -5.186
  107   2HB   TYR  14          2HB       TYR  14   1.293  -3.552  -4.392
  108    HD1  TYR  14           HD1      TYR  14  -2.327  -3.184  -5.109
  109    HD2  TYR  14           HD2      TYR  14   0.758  -5.748  -3.575
  110    HE1  TYR  14           HE1      TYR  14  -3.910  -5.095  -5.120
  111    HE2  TYR  14           HE2      TYR  14  -0.824  -7.659  -3.586
  112    HH   TYR  14           HH       TYR  14  -2.836  -8.373  -4.409
  113    H    ASP  15           H        ASP  15   1.994  -1.914  -1.373
  114    HA   ASP  15           HA       ASP  15   1.591  -4.516   0.030
  115   1HB   ASP  15          1HB       ASP  15   3.886  -3.646  -1.072
  116   2HB   ASP  15          2HB       ASP  15   4.042  -2.894   0.516
  117    H    GLU  16           H        GLU  16   0.073  -2.044   0.466
  118    HA   GLU  16           HA       GLU  16  -0.773  -0.813   2.273
  119   1HB   GLU  16          1HB       GLU  16   0.743  -2.777   4.004
  120   2HB   GLU  16          2HB       GLU  16  -0.702  -1.860   4.428
  121   1HG   GLU  16          1HG       GLU  16  -1.559  -3.161   2.187
  122   2HG   GLU  16          2HG       GLU  16  -0.444  -4.351   2.860
  123    H    TYR  17           H        TYR  17   2.339  -0.618   1.391
  124    HA   TYR  17           HA       TYR  17   4.053   0.865   1.947
  125   1HB   TYR  17          1HB       TYR  17   1.623   2.047   3.090
  126   2HB   TYR  17          2HB       TYR  17   3.089   2.495   3.962
  127    HD1  TYR  17           HD1      TYR  17   5.181   2.826   2.164
  128    HD2  TYR  17           HD2      TYR  17   1.014   3.583   1.445
  129    HE1  TYR  17           HE1      TYR  17   5.782   4.411   0.354
  130    HE2  TYR  17           HE2      TYR  17   1.615   5.169  -0.366
  131    HH   TYR  17           HH       TYR  17   5.029   5.840  -1.162
  132    H    ARG  18           H        ARG  18   4.075  -1.619   3.188
  133    HA   ARG  18           HA       ARG  18   4.436  -1.267   6.073
  134   1HB   ARG  18          1HB       ARG  18   4.160  -3.479   4.279
  135   2HB   ARG  18          2HB       ARG  18   5.699  -3.658   5.124
  136   1HG   ARG  18          1HG       ARG  18   3.221  -2.922   6.661
  137   2HG   ARG  18          2HG       ARG  18   3.529  -4.607   6.239
  138   1HD   ARG  18          1HD       ARG  18   4.526  -4.325   8.377
  139   2HD   ARG  18          2HD       ARG  18   5.871  -4.256   7.239
  140    HE   ARG  18           HE       ARG  18   5.692  -1.728   7.454
  141   1HH1  ARG  18          1HH2      ARG  18   6.730  -3.107   9.970
  142   2HH1  ARG  18          2HH2      ARG  18   5.811  -2.299  11.196
  143   1HH2  ARG  18          1HH1      ARG  18   3.497  -0.990   8.970
  144   2HH2  ARG  18          2HH1      ARG  18   3.979  -1.102  10.630
  145    H    TYR  19           H        TYR  19   5.962   0.596   4.805
  146    HA   TYR  19           HA       TYR  19   8.128   1.468   4.923
  147   1HB   TYR  19          1HB       TYR  19   8.258  -0.913   6.587
  148   2HB   TYR  19          2HB       TYR  19   9.776  -0.641   5.733
  149    HD1  TYR  19           HD1      TYR  19   7.181   1.695   7.113
  150    HD2  TYR  19           HD2      TYR  19  11.282   0.420   7.157
  151    HE1  TYR  19           HE1      TYR  19   7.736   3.528   8.691
  152    HE2  TYR  19           HE2      TYR  19  11.837   2.251   8.734
  153    HH   TYR  19           HH       TYR  19   9.923   4.860   9.265
  154    H    ARG  20           H        ARG  20   7.149   0.476   2.522
  155    HA   ARG  20           HA       ARG  20   9.444  -1.021   1.356
  156   1HB   ARG  20          1HB       ARG  20   7.156  -1.940   0.962
  157   2HB   ARG  20          2HB       ARG  20   6.721  -0.434   0.152
  158   1HG   ARG  20          1HG       ARG  20   9.077  -1.130  -1.109
  159   2HG   ARG  20          2HG       ARG  20   8.310  -2.694  -0.841
  160   1HD   ARG  20          1HD       ARG  20   7.154  -2.214  -2.738
  161   2HD   ARG  20          2HD       ARG  20   6.183  -1.186  -1.685
  162    HE   ARG  20           HE       ARG  20   8.174   0.523  -2.385
  163   1HH1  ARG  20          1HH1      ARG  20   5.328  -0.112  -3.726
  164   2HH1  ARG  20          2HH1      ARG  20   5.779   0.106  -5.384
  165   1HH2  ARG  20          1HH2      ARG  20   9.184   0.123  -4.730
  166   2HH2  ARG  20          2HH2      ARG  20   7.963   0.242  -5.952
  167    H    SER  21           H        SER  21   9.688   1.738   2.077
  168    HA   SER  21           HA       SER  21   9.927   2.967  -0.637
  169   1HB   SER  21          1HB       SER  21   8.866   4.036   1.900
  170   2HB   SER  21          2HB       SER  21  10.001   5.104   1.081
  171    HG   SER  21           HG       SER  21   8.676   4.600  -0.858
  172    H    VAL  22           H        VAL  22  11.834   1.274   0.736
  173    HA   VAL  22           HA       VAL  22  13.961   3.145   1.614
  174    HB   VAL  22           HB       VAL  22  13.888   0.116   1.453
  175   1HG1  VAL  22          1HG1      VAL  22  16.053   2.071   2.006
  176   2HG1  VAL  22          2HG1      VAL  22  15.939   0.712   3.123
  177   3HG1  VAL  22          3HG1      VAL  22  16.157   0.420   1.399
  178   1HG2  VAL  22          1HG2      VAL  22  12.977   2.062   3.401
  179   2HG2  VAL  22          2HG2      VAL  22  12.781   0.309   3.410
  180   3HG2  VAL  22          3HG2      VAL  22  14.236   1.037   4.091
  181    H    ILE  23           H        ILE  23  13.291   3.552  -1.032
  182    HA   ILE  23           HA       ILE  23  14.007   3.281  -3.284
  183    HB   ILE  23           HB       ILE  23  16.236   4.165  -1.493
  184   1HG1  ILE  23          1HG1      ILE  23  14.178   5.556  -2.007
  185   2HG1  ILE  23          2HG1      ILE  23  15.718   6.328  -2.387
  186   1HG2  ILE  23          1HG2      ILE  23  16.463   3.318  -4.300
  187   2HG2  ILE  23          2HG2      ILE  23  17.001   4.976  -4.029
  188   3HG2  ILE  23          3HG2      ILE  23  17.737   3.651  -3.127
  189   1HD1  ILE  23          1HD1      ILE  23  13.981   4.843  -4.381
  190   2HD1  ILE  23          2HD1      ILE  23  14.068   6.599  -4.224
  191   3HD1  ILE  23          3HD1      ILE  23  15.487   5.687  -4.741
  192    H    LYS  24           H        LYS  24  13.646   0.791  -2.865
  193    HA   LYS  24           HA       LYS  24  15.474  -0.708  -4.320
  194   1HB   LYS  24          1HB       LYS  24  16.547  -0.090  -1.735
  195   2HB   LYS  24          2HB       LYS  24  16.208  -1.819  -1.795
  196   1HG   LYS  24          1HG       LYS  24  17.324  -1.312  -4.283
  197   2HG   LYS  24          2HG       LYS  24  18.264  -0.285  -3.199
  198   1HD   LYS  24          1HD       LYS  24  19.170  -2.065  -2.074
  199   2HD   LYS  24          2HD       LYS  24  17.713  -3.045  -2.245
  200   1HE   LYS  24          1HE       LYS  24  18.312  -3.809  -4.372
  201   2HE   LYS  24          2HE       LYS  24  19.355  -2.407  -4.687
  202   1HZ   LYS  24          1HZ       LYS  24  20.517  -3.353  -2.515
  203   2HZ   LYS  24          2HZ       LYS  24  19.905  -4.814  -3.129
  204   3HZ   LYS  24          3HZ       LYS  24  20.955  -3.872  -4.071
  205    H    ALA  25           H        ALA  25  15.451  -3.190  -3.012
  206    HA   ALA  25           HA       ALA  25  12.563  -3.608  -2.374
  207   1HB   ALA  25          1HB       ALA  25  14.082  -4.641  -4.634
  208   2HB   ALA  25          2HB       ALA  25  13.416  -5.946  -3.654
  209   3HB   ALA  25          3HB       ALA  25  12.346  -4.717  -4.330
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -15.382  -7.723  -8.683
    2   2H    MET   1          2H        MET   1 -14.007  -8.709  -8.571
    3   3H    MET   1          3H        MET   1 -14.792  -8.186  -7.158
    4    HA   MET   1           HA       MET   1 -12.819  -6.865  -7.435
    5   1HB   MET   1          1HB       MET   1 -13.420  -7.412 -10.110
    6   2HB   MET   1          2HB       MET   1 -13.632  -5.667  -9.970
    7   1HG   MET   1          1HG       MET   1 -11.282  -6.376  -8.515
    8   2HG   MET   1          2HG       MET   1 -11.185  -7.139 -10.102
    9   1HE   MET   1          1HE       MET   1  -9.229  -5.995 -10.661
   10   2HE   MET   1          2HE       MET   1  -9.029  -4.296 -11.079
   11   3HE   MET   1          3HE       MET   1  -9.016  -4.802  -9.383
   12    HA   PRO   2           HA       PRO   2 -16.296  -4.104  -6.247
   13   1HB   PRO   2          1HB       PRO   2 -15.387  -3.660  -3.705
   14   2HB   PRO   2          2HB       PRO   2 -16.391  -5.058  -4.140
   15   1HG   PRO   2          1HG       PRO   2 -13.455  -4.898  -3.701
   16   2HG   PRO   2          2HG       PRO   2 -14.591  -6.190  -3.286
   17   1HD   PRO   2          1HD       PRO   2 -12.912  -6.257  -5.451
   18   2HD   PRO   2          2HD       PRO   2 -14.441  -7.157  -5.348
   19    H    GLY   3           H        GLY   3 -15.885  -1.841  -4.949
   20   1HA   GLY   3          1HA       GLY   3 -13.581  -0.578  -6.357
   21   2HA   GLY   3          2HA       GLY   3 -15.023   0.279  -5.806
   22    H    THR   4           H        THR   4 -12.116   0.725  -5.198
   23    HA   THR   4           HA       THR   4 -12.120   0.247  -2.258
   24    HB   THR   4           HB       THR   4 -10.129  -0.474  -3.592
   25    HG1  THR   4           HG1      THR   4  -9.346  -0.086  -1.689
   26   1HG2  THR   4          1HG2      THR   4 -10.219   2.422  -4.342
   27   2HG2  THR   4          2HG2      THR   4  -8.644   1.643  -4.188
   28   3HG2  THR   4          3HG2      THR   4  -9.829   1.018  -5.334
   29    H    ILE   5           H        ILE   5 -13.896   2.228  -3.138
   30    HA   ILE   5           HA       ILE   5 -12.492   4.806  -2.730
   31    HB   ILE   5           HB       ILE   5 -14.354   4.288  -4.515
   32   1HG1  ILE   5          1HG1      ILE   5 -15.212   6.712  -4.125
   33   2HG1  ILE   5          2HG1      ILE   5 -14.068   6.734  -2.780
   34   1HG2  ILE   5          1HG2      ILE   5 -15.860   3.564  -2.446
   35   2HG2  ILE   5          2HG2      ILE   5 -16.204   5.293  -2.389
   36   3HG2  ILE   5          3HG2      ILE   5 -16.568   4.369  -3.847
   37   1HD1  ILE   5          1HD1      ILE   5 -13.241   5.873  -5.554
   38   2HD1  ILE   5          2HD1      ILE   5 -13.196   7.564  -5.055
   39   3HD1  ILE   5          3HD1      ILE   5 -12.210   6.370  -4.212
   40    H    LYS   6           H        LYS   6 -12.563   3.076  -0.493
   41    HA   LYS   6           HA       LYS   6 -13.897   4.836   1.434
   42   1HB   LYS   6          1HB       LYS   6 -14.663   1.903   1.379
   43   2HB   LYS   6          2HB       LYS   6 -15.307   3.155   2.441
   44   1HG   LYS   6          1HG       LYS   6 -16.197   4.346   0.435
   45   2HG   LYS   6          2HG       LYS   6 -15.642   3.006  -0.569
   46   1HD   LYS   6          1HD       LYS   6 -17.195   2.066   1.707
   47   2HD   LYS   6          2HD       LYS   6 -18.117   3.190   0.707
   48   1HE   LYS   6          1HE       LYS   6 -17.607   1.858  -1.302
   49   2HE   LYS   6          2HE       LYS   6 -16.641   0.737  -0.321
   50   1HZ   LYS   6          1HZ       LYS   6 -19.381   1.385   0.520
   51   2HZ   LYS   6          2HZ       LYS   6 -19.158   0.259  -0.732
   52   3HZ   LYS   6          3HZ       LYS   6 -18.477  -0.023   0.799
   53    H    GLU   7           H        GLU   7 -11.265   4.624   1.300
   54    HA   GLU   7           HA       GLU   7 -10.338   2.426   3.053
   55   1HB   GLU   7          1HB       GLU   7  -9.132   4.102   1.043
   56   2HB   GLU   7          2HB       GLU   7  -8.241   4.271   2.555
   57   1HG   GLU   7          1HG       GLU   7  -7.909   1.888   2.715
   58   2HG   GLU   7          2HG       GLU   7  -8.998   1.594   1.359
   59    H    ASN   8           H        ASN   8 -12.097   4.059   4.403
   60    HA   ASN   8           HA       ASN   8 -10.531   6.073   5.886
   61   1HB   ASN   8          1HB       ASN   8 -12.917   6.490   5.274
   62   2HB   ASN   8          2HB       ASN   8 -13.387   5.151   6.321
   63   1HD2  ASN   8          2HD2      ASN   8 -11.972   8.419   6.327
   64   2HD2  ASN   8          1HD2      ASN   8 -12.218   8.705   7.983
   65    H    ILE   9           H        ILE   9  -9.487   3.489   6.179
   66    HA   ILE   9           HA       ILE   9  -9.839   3.123   9.086
   67    HB   ILE   9           HB       ILE   9 -10.366   0.999   7.012
   68   1HG1  ILE   9          1HG1      ILE   9 -12.200   0.619   8.916
   69   2HG1  ILE   9          2HG1      ILE   9 -11.839   2.313   9.260
   70   1HG2  ILE   9          1HG2      ILE   9  -9.470   0.682   9.884
   71   2HG2  ILE   9          2HG2      ILE   9 -10.391  -0.571   9.049
   72   3HG2  ILE   9          3HG2      ILE   9  -8.806  -0.089   8.443
   73   1HD1  ILE   9          1HD1      ILE   9 -12.150   1.745   6.394
   74   2HD1  ILE   9          2HD1      ILE   9 -13.610   1.429   7.334
   75   3HD1  ILE   9          3HD1      ILE   9 -12.866   3.028   7.369
   76    H    ILE  10           H        ILE  10  -8.252   1.762   6.247
   77    HA   ILE  10           HA       ILE  10  -5.609   2.314   7.409
   78    HB   ILE  10           HB       ILE  10  -6.646  -0.483   6.911
   79   1HG1  ILE  10          1HG1      ILE  10  -5.475   0.990   9.287
   80   2HG1  ILE  10          2HG1      ILE  10  -7.104   0.329   9.133
   81   1HG2  ILE  10          1HG2      ILE  10  -4.140   0.356   6.151
   82   2HG2  ILE  10          2HG2      ILE  10  -3.854  -0.138   7.817
   83   3HG2  ILE  10          3HG2      ILE  10  -4.525  -1.286   6.660
   84   1HD1  ILE  10          1HD1      ILE  10  -5.198  -1.757   8.617
   85   2HD1  ILE  10          2HD1      ILE  10  -4.794  -0.972  10.143
   86   3HD1  ILE  10          3HD1      ILE  10  -6.400  -1.659   9.903
   87    H    GLY  11           H        GLY  11  -5.660   3.691   5.470
   88   1HA   GLY  11          1HA       GLY  11  -5.872   2.469   2.837
   89   2HA   GLY  11          2HA       GLY  11  -5.375   4.127   3.170
   90    H    VAL  12           H        VAL  12  -3.460   2.332   5.135
   91    HA   VAL  12           HA       VAL  12  -1.143   2.682   3.414
   92    HB   VAL  12           HB       VAL  12  -1.513   1.354   6.110
   93   1HG1  VAL  12          1HG1      VAL  12   0.859   1.520   4.282
   94   2HG1  VAL  12          2HG1      VAL  12   1.119   1.666   6.020
   95   3HG1  VAL  12          3HG1      VAL  12   0.370   0.213   5.361
   96   1HG2  VAL  12          1HG2      VAL  12  -1.718   3.827   5.962
   97   2HG2  VAL  12          2HG2      VAL  12  -0.333   3.307   6.924
   98   3HG2  VAL  12          3HG2      VAL  12  -0.094   3.887   5.276
   99    H    SER  13           H        SER  13  -1.407  -0.267   5.214
  100    HA   SER  13           HA       SER  13  -0.710  -2.379   4.455
  101   1HB   SER  13          1HB       SER  13  -3.079  -2.477   2.705
  102   2HB   SER  13          2HB       SER  13  -2.659  -3.484   4.088
  103    HG   SER  13           HG       SER  13  -4.372  -1.484   3.996
  104    H    TYR  14           H        TYR  14   1.116  -2.241   3.099
  105    HA   TYR  14           HA       TYR  14   0.778  -1.474   0.292
  106   1HB   TYR  14          1HB       TYR  14   3.329  -2.732   0.941
  107   2HB   TYR  14          2HB       TYR  14   2.997  -1.117   0.341
  108    HD1  TYR  14           HD1      TYR  14   2.660   0.772   1.856
  109    HD2  TYR  14           HD2      TYR  14   3.515  -3.168   3.340
  110    HE1  TYR  14           HE1      TYR  14   3.174   1.724   4.088
  111    HE2  TYR  14           HE2      TYR  14   4.028  -2.216   5.572
  112    HH   TYR  14           HH       TYR  14   3.772  -0.340   6.872
  113    H    ASP  15           H        ASP  15   2.018  -4.380   1.970
  114    HA   ASP  15           HA       ASP  15   2.214  -6.583   1.146
  115   1HB   ASP  15          1HB       ASP  15  -0.055  -6.545   2.024
  116   2HB   ASP  15          2HB       ASP  15  -0.654  -5.835   0.527
  117    H    GLU  16           H        GLU  16   3.208  -4.713  -0.742
  118    HA   GLU  16           HA       GLU  16   3.156  -6.310  -3.130
  119   1HB   GLU  16          1HB       GLU  16   0.959  -4.582  -2.896
  120   2HB   GLU  16          2HB       GLU  16   2.065  -3.759  -3.998
  121   1HG   GLU  16          1HG       GLU  16   1.841  -6.640  -4.517
  122   2HG   GLU  16          2HG       GLU  16   0.317  -5.774  -4.715
  123    H    TYR  17           H        TYR  17   3.801  -3.162  -1.643
  124    HA   TYR  17           HA       TYR  17   6.197  -2.951  -3.417
  125   1HB   TYR  17          1HB       TYR  17   4.913  -0.621  -1.989
  126   2HB   TYR  17          2HB       TYR  17   6.019  -0.585  -3.365
  127    HD1  TYR  17           HD1      TYR  17   5.013  -2.426  -5.284
  128    HD2  TYR  17           HD2      TYR  17   2.785   0.103  -2.617
  129    HE1  TYR  17           HE1      TYR  17   3.081  -2.489  -6.838
  130    HE2  TYR  17           HE2      TYR  17   0.855   0.039  -4.173
  131    HH   TYR  17           HH       TYR  17  -0.035  -1.233  -5.945
  132    H    ARG  18           H        ARG  18   5.952  -4.403  -0.922
  133    HA   ARG  18           HA       ARG  18   6.858  -4.486   1.280
  134   1HB   ARG  18          1HB       ARG  18   8.678  -4.783  -0.745
  135   2HB   ARG  18          2HB       ARG  18   9.435  -3.527   0.236
  136   1HG   ARG  18          1HG       ARG  18  10.175  -5.660   1.095
  137   2HG   ARG  18          2HG       ARG  18   9.035  -4.982   2.260
  138   1HD   ARG  18          1HD       ARG  18   8.117  -7.081   2.092
  139   2HD   ARG  18          2HD       ARG  18   7.296  -6.337   0.719
  140    HE   ARG  18           HE       ARG  18   9.374  -7.285  -0.597
  141   1HH1  ARG  18          1HH2      ARG  18   6.855  -8.964   0.417
  142   2HH1  ARG  18          2HH2      ARG  18   7.659 -10.461   0.751
  143   1HH2  ARG  18          1HH1      ARG  18  10.843  -9.097   0.572
  144   2HH2  ARG  18          2HH1      ARG  18   9.918 -10.536   0.841
  145    H    TYR  19           H        TYR  19   5.547  -2.079   1.240
  146    HA   TYR  19           HA       TYR  19   5.556   0.076   2.183
  147   1HB   TYR  19          1HB       TYR  19   6.166  -1.238   4.172
  148   2HB   TYR  19          2HB       TYR  19   7.867  -1.165   3.710
  149    HD1  TYR  19           HD1      TYR  19   5.358   1.569   3.389
  150    HD2  TYR  19           HD2      TYR  19   8.782   0.087   5.520
  151    HE1  TYR  19           HE1      TYR  19   5.579   3.749   4.550
  152    HE2  TYR  19           HE2      TYR  19   9.002   2.267   6.681
  153    HH   TYR  19           HH       TYR  19   6.874   4.998   5.881
  154    H    ARG  20           H        ARG  20   6.932  -0.057  -0.280
  155    HA   ARG  20           HA       ARG  20   8.582   1.012  -1.550
  156   1HB   ARG  20          1HB       ARG  20   7.241   2.933  -0.898
  157   2HB   ARG  20          2HB       ARG  20   8.071   3.021   0.653
  158   1HG   ARG  20          1HG       ARG  20  10.200   3.111  -1.035
  159   2HG   ARG  20          2HG       ARG  20   8.976   3.900  -2.031
  160   1HD   ARG  20          1HD       ARG  20   8.564   5.058   0.440
  161   2HD   ARG  20          2HD       ARG  20  10.318   4.873   0.393
  162    HE   ARG  20           HE       ARG  20   8.987   6.116  -1.955
  163   1HH1  ARG  20          1HH2      ARG  20   9.526   7.406   0.968
  164   2HH1  ARG  20          2HH2      ARG  20  10.821   8.467   0.521
  165   1HH2  ARG  20          1HH1      ARG  20  11.282   7.019  -2.597
  166   2HH2  ARG  20          2HH1      ARG  20  11.815   8.247  -1.498
  167    H    SER  21           H        SER  21   9.967  -0.830  -0.492
  168    HA   SER  21           HA       SER  21  11.990   0.237   1.378
  169   1HB   SER  21          1HB       SER  21  10.902  -2.188   1.350
  170   2HB   SER  21          2HB       SER  21  12.171  -2.498   0.167
  171    HG   SER  21           HG       SER  21  12.441  -1.570   2.836
  172    H    VAL  22           H        VAL  22  11.748   1.236  -1.356
  173    HA   VAL  22           HA       VAL  22  13.983   0.138  -2.884
  174    HB   VAL  22           HB       VAL  22  12.052   1.213  -3.996
  175   1HG1  VAL  22          1HG1      VAL  22  11.928   2.967  -2.058
  176   2HG1  VAL  22          2HG1      VAL  22  13.077   3.876  -3.041
  177   3HG1  VAL  22          3HG1      VAL  22  11.489   3.467  -3.691
  178   1HG2  VAL  22          1HG2      VAL  22  14.416   1.236  -4.973
  179   2HG2  VAL  22          2HG2      VAL  22  13.308   2.449  -5.614
  180   3HG2  VAL  22          3HG2      VAL  22  14.523   2.909  -4.421
  181    H    ILE  23           H        ILE  23  13.922   1.903  -0.103
  182    HA   ILE  23           HA       ILE  23  16.086   3.777  -0.784
  183    HB   ILE  23           HB       ILE  23  15.038   3.173   1.973
  184   1HG1  ILE  23          1HG1      ILE  23  13.810   4.793  -0.267
  185   2HG1  ILE  23          2HG1      ILE  23  13.048   3.546   0.722
  186   1HG2  ILE  23          1HG2      ILE  23  16.978   4.921   0.939
  187   2HG2  ILE  23          2HG2      ILE  23  15.567   5.936   1.237
  188   3HG2  ILE  23          3HG2      ILE  23  16.259   4.982   2.549
  189   1HD1  ILE  23          1HD1      ILE  23  13.982   5.430   2.560
  190   2HD1  ILE  23          2HD1      ILE  23  13.312   6.388   1.239
  191   3HD1  ILE  23          3HD1      ILE  23  12.307   5.193   2.058
  192    H    LYS  24           H        LYS  24  16.876   1.105  -1.219
  193    HA   LYS  24           HA       LYS  24  18.377   0.236   1.156
  194   1HB   LYS  24          1HB       LYS  24  18.785  -1.753   0.018
  195   2HB   LYS  24          2HB       LYS  24  17.263  -1.255  -0.713
  196   1HG   LYS  24          1HG       LYS  24  19.983  -0.613  -1.892
  197   2HG   LYS  24          2HG       LYS  24  19.005  -1.997  -2.374
  198   1HD   LYS  24          1HD       LYS  24  18.156   0.910  -2.550
  199   2HD   LYS  24          2HD       LYS  24  18.643  -0.106  -3.907
  200   1HE   LYS  24          1HE       LYS  24  16.699  -1.663  -2.735
  201   2HE   LYS  24          2HE       LYS  24  16.068  -0.025  -2.474
  202   1HZ   LYS  24          1HZ       LYS  24  17.137  -1.017  -5.064
  203   2HZ   LYS  24          2HZ       LYS  24  15.483  -0.944  -4.683
  204   3HZ   LYS  24          3HZ       LYS  24  16.393   0.484  -4.780
  205    H    ALA  25           H        ALA  25  20.456   0.810   1.574
  206    HA   ALA  25           HA       ALA  25  22.616   1.670   1.253
  207   1HB   ALA  25          1HB       ALA  25  22.160   0.133  -0.975
  208   2HB   ALA  25          2HB       ALA  25  22.487   1.711  -1.691
  209   3HB   ALA  25          3HB       ALA  25  23.678   0.962  -0.627
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -23.412  -0.491   0.639
    2   2H    MET   1          2H        MET   1 -24.110  -1.867  -0.072
    3   3H    MET   1          3H        MET   1 -24.956  -1.006   1.122
    4    HA   MET   1           HA       MET   1 -23.827  -1.935   2.826
    5   1HB   MET   1          1HB       MET   1 -24.819  -3.780   1.692
    6   2HB   MET   1          2HB       MET   1 -23.578  -3.775   0.441
    7   1HG   MET   1          1HG       MET   1 -21.940  -4.661   1.889
    8   2HG   MET   1          2HG       MET   1 -22.856  -4.228   3.333
    9   1HE   MET   1          1HE       MET   1 -21.392  -6.581   1.819
   10   2HE   MET   1          2HE       MET   1 -21.920  -7.544   3.205
   11   3HE   MET   1          3HE       MET   1 -22.339  -8.045   1.569
   12    HA   PRO   2           HA       PRO   2 -19.305  -2.436   1.395
   13   1HB   PRO   2          1HB       PRO   2 -18.631  -1.598  -1.116
   14   2HB   PRO   2          2HB       PRO   2 -19.168  -3.251  -0.763
   15   1HG   PRO   2          1HG       PRO   2 -20.644  -1.013  -2.012
   16   2HG   PRO   2          2HG       PRO   2 -20.781  -2.754  -2.289
   17   1HD   PRO   2          1HD       PRO   2 -22.524  -1.217  -0.780
   18   2HD   PRO   2          2HD       PRO   2 -22.380  -2.984  -0.707
   19    H    GLY   3           H        GLY   3 -17.476  -0.707   0.684
   20   1HA   GLY   3          1HA       GLY   3 -18.580   2.010   1.286
   21   2HA   GLY   3          2HA       GLY   3 -17.058   1.432   1.968
   22    H    THR   4           H        THR   4 -17.255   3.802   0.388
   23    HA   THR   4           HA       THR   4 -16.146   3.030  -2.255
   24    HB   THR   4           HB       THR   4 -17.880   4.853  -2.057
   25    HG1  THR   4           HG1      THR   4 -15.666   4.784  -3.466
   26   1HG2  THR   4          1HG2      THR   4 -15.948   5.789  -0.109
   27   2HG2  THR   4          2HG2      THR   4 -16.260   7.024  -1.328
   28   3HG2  THR   4          3HG2      THR   4 -17.596   6.346  -0.399
   29    H    ILE   5           H        ILE   5 -14.424   2.255  -0.294
   30    HA   ILE   5           HA       ILE   5 -12.474   4.400   0.219
   31    HB   ILE   5           HB       ILE   5 -11.975   1.471   0.713
   32   1HG1  ILE   5          1HG1      ILE   5 -14.232   1.855   1.557
   33   2HG1  ILE   5          2HG1      ILE   5 -13.119   1.782   2.923
   34   1HG2  ILE   5          1HG2      ILE   5 -10.992   4.104   1.700
   35   2HG2  ILE   5          2HG2      ILE   5 -11.089   2.797   2.880
   36   3HG2  ILE   5          3HG2      ILE   5 -10.108   2.603   1.428
   37   1HD1  ILE   5          1HD1      ILE   5 -12.983   4.406   2.500
   38   2HD1  ILE   5          2HD1      ILE   5 -14.572   4.134   1.785
   39   3HD1  ILE   5          3HD1      ILE   5 -14.279   3.707   3.471
   40    H    LYS   6           H        LYS   6 -12.868   4.044  -2.527
   41    HA   LYS   6           HA       LYS   6 -11.698   3.617  -4.518
   42   1HB   LYS   6          1HB       LYS   6  -9.525   3.941  -2.456
   43   2HB   LYS   6          2HB       LYS   6  -9.118   3.542  -4.125
   44   1HG   LYS   6          1HG       LYS   6 -11.038   5.626  -4.234
   45   2HG   LYS   6          2HG       LYS   6  -9.849   6.096  -3.018
   46   1HD   LYS   6          1HD       LYS   6  -8.157   5.202  -4.893
   47   2HD   LYS   6          2HD       LYS   6  -9.494   5.660  -5.948
   48   1HE   LYS   6          1HE       LYS   6  -9.074   7.873  -5.659
   49   2HE   LYS   6          2HE       LYS   6  -8.941   7.687  -3.899
   50   1HZ   LYS   6          1HZ       LYS   6  -6.746   6.726  -4.197
   51   2HZ   LYS   6          2HZ       LYS   6  -6.864   6.909  -5.880
   52   3HZ   LYS   6          3HZ       LYS   6  -6.803   8.282  -4.879
   53    H    GLU   7           H        GLU   7 -12.876   1.353  -3.588
   54    HA   GLU   7           HA       GLU   7 -12.733  -0.993  -3.576
   55   1HB   GLU   7          1HB       GLU   7 -10.265  -0.676  -5.280
   56   2HB   GLU   7          2HB       GLU   7 -11.521  -1.912  -5.378
   57   1HG   GLU   7          1HG       GLU   7 -13.143  -0.188  -6.105
   58   2HG   GLU   7          2HG       GLU   7 -11.863   1.024  -6.052
   59    H    ASN   8           H        ASN   8 -11.861  -0.328  -1.246
   60    HA   ASN   8           HA       ASN   8  -9.043  -1.204  -0.929
   61   1HB   ASN   8          1HB       ASN   8 -10.053   0.911   0.193
   62   2HB   ASN   8          2HB       ASN   8 -10.808  -0.228   1.310
   63   1HD2  ASN   8          2HD2      ASN   8  -9.548  -0.677   3.115
   64   2HD2  ASN   8          1HD2      ASN   8  -7.854  -0.591   3.174
   65    H    ILE   9           H        ILE   9 -10.967  -3.196  -1.628
   66    HA   ILE   9           HA       ILE   9 -11.692  -4.633   0.816
   67    HB   ILE   9           HB       ILE   9 -11.645  -5.595  -2.063
   68   1HG1  ILE   9          1HG1      ILE   9 -13.139  -3.626  -1.619
   69   2HG1  ILE   9          2HG1      ILE   9 -14.025  -5.080  -2.078
   70   1HG2  ILE   9          1HG2      ILE   9 -12.989  -6.693   0.427
   71   2HG2  ILE   9          2HG2      ILE   9 -13.214  -7.320  -1.207
   72   3HG2  ILE   9          3HG2      ILE   9 -11.634  -7.428  -0.429
   73   1HD1  ILE   9          1HD1      ILE   9 -13.546  -4.237   0.793
   74   2HD1  ILE   9          2HD1      ILE   9 -15.017  -3.869  -0.107
   75   3HD1  ILE   9          3HD1      ILE   9 -14.586  -5.545   0.230
   76    H    ILE  10           H        ILE  10  -8.889  -4.192  -0.988
   77    HA   ILE  10           HA       ILE  10  -7.498  -6.308   0.524
   78    HB   ILE  10           HB       ILE  10  -7.461  -6.123  -2.505
   79   1HG1  ILE  10          1HG1      ILE  10  -9.430  -7.290  -1.463
   80   2HG1  ILE  10          2HG1      ILE  10  -8.425  -8.352  -2.448
   81   1HG2  ILE  10          1HG2      ILE  10  -5.603  -7.275  -0.526
   82   2HG2  ILE  10          2HG2      ILE  10  -6.085  -8.394  -1.802
   83   3HG2  ILE  10          3HG2      ILE  10  -5.327  -6.856  -2.218
   84   1HD1  ILE  10          1HD1      ILE  10  -7.219  -9.033  -0.339
   85   2HD1  ILE  10          2HD1      ILE  10  -8.425  -8.122   0.571
   86   3HD1  ILE  10          3HD1      ILE  10  -8.914  -9.517  -0.391
   87    H    GLY  11           H        GLY  11  -7.277  -3.644   1.021
   88   1HA   GLY  11          1HA       GLY  11  -5.033  -2.550  -0.560
   89   2HA   GLY  11          2HA       GLY  11  -5.913  -1.700   0.709
   90    H    VAL  12           H        VAL  12  -4.697  -4.937   1.256
   91    HA   VAL  12           HA       VAL  12  -3.386  -4.351   3.655
   92    HB   VAL  12           HB       VAL  12  -3.516  -6.575   1.827
   93   1HG1  VAL  12          1HG1      VAL  12  -0.782  -6.134   3.065
   94   2HG1  VAL  12          2HG1      VAL  12  -1.323  -7.611   2.266
   95   3HG1  VAL  12          3HG1      VAL  12  -1.140  -6.123   1.337
   96   1HG2  VAL  12          1HG2      VAL  12  -4.206  -6.336   4.277
   97   2HG2  VAL  12          2HG2      VAL  12  -3.392  -7.838   3.840
   98   3HG2  VAL  12          3HG2      VAL  12  -2.501  -6.560   4.668
   99    H    SER  13           H        SER  13  -1.973  -4.431   0.387
  100    HA   SER  13           HA       SER  13   0.661  -3.861   0.915
  101   1HB   SER  13          1HB       SER  13   0.763  -2.703  -1.234
  102   2HB   SER  13          2HB       SER  13  -0.317  -4.087  -1.370
  103    HG   SER  13           HG       SER  13  -0.901  -1.679  -2.011
  104    H    TYR  14           H        TYR  14   1.606  -2.336   2.175
  105    HA   TYR  14           HA       TYR  14   0.104   0.048   2.992
  106   1HB   TYR  14          1HB       TYR  14   2.209  -1.491   4.080
  107   2HB   TYR  14          2HB       TYR  14   2.889   0.103   3.758
  108    HD1  TYR  14           HD1      TYR  14   0.501   1.828   4.093
  109    HD2  TYR  14           HD2      TYR  14   1.876  -1.511   6.419
  110    HE1  TYR  14           HE1      TYR  14  -0.670   2.731   6.084
  111    HE2  TYR  14           HE2      TYR  14   0.706  -0.607   8.410
  112    HH   TYR  14           HH       TYR  14  -1.317   2.305   8.186
  113    H    ASP  15           H        ASP  15   2.730  -0.758   0.806
  114    HA   ASP  15           HA       ASP  15   4.055   0.612  -0.580
  115   1HB   ASP  15          1HB       ASP  15   1.970   0.533  -1.828
  116   2HB   ASP  15          2HB       ASP  15   1.299   1.833  -0.847
  117    H    GLU  16           H        GLU  16   4.428   1.370   2.044
  118    HA   GLU  16           HA       GLU  16   4.122   4.322   2.125
  119   1HB   GLU  16          1HB       GLU  16   3.534   3.128   4.173
  120   2HB   GLU  16          2HB       GLU  16   5.108   2.330   4.193
  121   1HG   GLU  16          1HG       GLU  16   5.919   4.904   4.074
  122   2HG   GLU  16          2HG       GLU  16   4.390   5.118   4.928
  123    H    TYR  17           H        TYR  17   6.667   1.851   2.502
  124    HA   TYR  17           HA       TYR  17   8.564   3.223   0.869
  125   1HB   TYR  17          1HB       TYR  17   8.523   3.897   3.776
  126   2HB   TYR  17          2HB       TYR  17  10.101   3.639   3.035
  127    HD1  TYR  17           HD1      TYR  17   9.885   4.677   0.365
  128    HD2  TYR  17           HD2      TYR  17   8.118   6.179   3.979
  129    HE1  TYR  17           HE1      TYR  17   9.777   6.945  -0.632
  130    HE2  TYR  17           HE2      TYR  17   8.010   8.448   2.985
  131    HH   TYR  17           HH       TYR  17   8.804   9.744   1.276
  132    H    ARG  18           H        ARG  18   7.534   0.571   1.458
  133    HA   ARG  18           HA       ARG  18   8.260  -1.607   2.058
  134   1HB   ARG  18          1HB       ARG  18   9.583  -0.542  -0.142
  135   2HB   ARG  18          2HB       ARG  18  10.886  -1.215   0.839
  136   1HG   ARG  18          1HG       ARG  18  10.290  -3.133  -0.285
  137   2HG   ARG  18          2HG       ARG  18   9.138  -3.242   1.046
  138   1HD   ARG  18          1HD       ARG  18   7.345  -2.540  -0.266
  139   2HD   ARG  18          2HD       ARG  18   8.384  -1.701  -1.417
  140    HE   ARG  18           HE       ARG  18   7.888  -4.631  -1.360
  141   1HH1  ARG  18          1HH2      ARG  18   7.534  -2.393  -3.564
  142   2HH1  ARG  18          2HH2      ARG  18   8.753  -2.911  -4.679
  143   1HH2  ARG  18          1HH1      ARG  18  10.264  -5.077  -2.431
  144   2HH2  ARG  18          2HH1      ARG  18  10.301  -4.430  -4.037
  145    H    TYR  19           H        TYR  19   8.846   0.359   4.092
  146    HA   TYR  19           HA       TYR  19  10.154   0.615   6.021
  147   1HB   TYR  19          1HB       TYR  19   9.754  -2.151   5.543
  148   2HB   TYR  19          2HB       TYR  19  11.432  -1.962   6.053
  149    HD1  TYR  19           HD1      TYR  19   7.901  -1.387   7.002
  150    HD2  TYR  19           HD2      TYR  19  11.999  -1.194   8.273
  151    HE1  TYR  19           HE1      TYR  19   7.159  -1.062   9.346
  152    HE2  TYR  19           HE2      TYR  19  11.258  -0.870  10.617
  153    HH   TYR  19           HH       TYR  19   7.938  -0.252  11.427
  154    H    ARG  20           H        ARG  20  11.428   1.059   3.278
  155    HA   ARG  20           HA       ARG  20  14.064   1.644   4.230
  156   1HB   ARG  20          1HB       ARG  20  14.134  -0.880   3.966
  157   2HB   ARG  20          2HB       ARG  20  13.953  -0.620   2.233
  158   1HG   ARG  20          1HG       ARG  20  16.316  -0.816   2.692
  159   2HG   ARG  20          2HG       ARG  20  15.981   0.875   2.319
  160   1HD   ARG  20          1HD       ARG  20  15.710   1.184   4.874
  161   2HD   ARG  20          2HD       ARG  20  16.516  -0.379   5.010
  162    HE   ARG  20           HE       ARG  20  18.535   0.680   4.402
  163   1HH1  ARG  20          1HH2      ARG  20  17.677   3.225   5.553
  164   2HH1  ARG  20          2HH2      ARG  20  17.781   4.327   4.221
  165   1HH2  ARG  20          1HH1      ARG  20  17.865   1.832   1.817
  166   2HH2  ARG  20          2HH1      ARG  20  17.887   3.538   2.107
  167    H    SER  21           H        SER  21  12.591   3.444   3.086
  168    HA   SER  21           HA       SER  21  12.186   4.775   1.166
  169   1HB   SER  21          1HB       SER  21  14.576   5.212   1.920
  170   2HB   SER  21          2HB       SER  21  15.093   4.099   0.656
  171    HG   SER  21           HG       SER  21  14.802   5.649  -0.722
  172    H    VAL  22           H        VAL  22  10.954   2.677   0.377
  173    HA   VAL  22           HA       VAL  22  10.547   1.092  -1.317
  174    HB   VAL  22           HB       VAL  22   9.989   3.232  -2.349
  175   1HG1  VAL  22          1HG1      VAL  22  12.917   3.250  -3.120
  176   2HG1  VAL  22          2HG1      VAL  22  11.711   4.315  -3.842
  177   3HG1  VAL  22          3HG1      VAL  22  12.069   4.429  -2.119
  178   1HG2  VAL  22          1HG2      VAL  22  11.167   0.986  -3.894
  179   2HG2  VAL  22          2HG2      VAL  22   9.546   1.676  -3.976
  180   3HG2  VAL  22          3HG2      VAL  22  10.888   2.475  -4.795
  181    H    ILE  23           H        ILE  23  12.663   0.085  -0.207
  182    HA   ILE  23           HA       ILE  23  14.789  -0.897  -0.465
  183    HB   ILE  23           HB       ILE  23  13.024  -2.315  -1.649
  184   1HG1  ILE  23          1HG1      ILE  23  14.731  -3.823  -2.548
  185   2HG1  ILE  23          2HG1      ILE  23  15.897  -2.500  -2.602
  186   1HG2  ILE  23          1HG2      ILE  23  13.868  -0.585  -3.847
  187   2HG2  ILE  23          2HG2      ILE  23  14.048  -2.290  -4.241
  188   3HG2  ILE  23          3HG2      ILE  23  12.481  -1.661  -3.739
  189   1HD1  ILE  23          1HD1      ILE  23  14.540  -2.997   0.002
  190   2HD1  ILE  23          2HD1      ILE  23  15.745  -4.178  -0.509
  191   3HD1  ILE  23          3HD1      ILE  23  16.196  -2.483  -0.323
  192    H    LYS  24           H        LYS  24  15.113   1.786  -1.057
  193    HA   LYS  24           HA       LYS  24  16.684   1.797  -3.593
  194   1HB   LYS  24          1HB       LYS  24  14.890   3.567  -3.158
  195   2HB   LYS  24          2HB       LYS  24  15.961   4.200  -1.907
  196   1HG   LYS  24          1HG       LYS  24  16.684   5.460  -3.705
  197   2HG   LYS  24          2HG       LYS  24  17.755   4.067  -3.868
  198   1HD   LYS  24          1HD       LYS  24  15.490   3.249  -5.225
  199   2HD   LYS  24          2HD       LYS  24  15.584   4.965  -5.623
  200   1HE   LYS  24          1HE       LYS  24  17.466   4.689  -6.887
  201   2HE   LYS  24          2HE       LYS  24  18.177   3.538  -5.738
  202   1HZ   LYS  24          1HZ       LYS  24  15.807   2.851  -7.375
  203   2HZ   LYS  24          2HZ       LYS  24  17.382   2.603  -7.953
  204   3HZ   LYS  24          3HZ       LYS  24  16.858   1.802  -6.550
  205    H    ALA  25           H        ALA  25  18.892   2.010  -3.509
  206    HA   ALA  25           HA       ALA  25  20.227   3.098  -1.142
  207   1HB   ALA  25          1HB       ALA  25  20.352   0.149  -1.814
  208   2HB   ALA  25          2HB       ALA  25  21.593   0.954  -0.852
  209   3HB   ALA  25          3HB       ALA  25  19.929   0.890  -0.271