*HEADER   RIBONUCLEIC ACID                        04-AUG-98   17RA    
*TITLE    BRANCHPOINT HELIX FROM YEAST AND BINDING SITE FOR PHAGE     
*TITLE   2 GA/MS2 COAT PROTEINS, NMR, 12 STRUCTURES                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: RNA;                                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RBS AND START SITE FOR PHAGE GA REPLICASE GENE;  
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: A5U, A6U                                         
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;             
*SOURCE  4 ORGANISM_COMMON: BAKER'S YEAST;                            
*SOURCE  5 CELLULAR_LOCATION: NUCLEUS;                                
*SOURCE  6 GENE: REPLICASE;                                           
*SOURCE  7 OTHER_DETAILS: IN VITRO SYNTHESIS FROM DNA TEMPLATE USING  
*SOURCE  8 T7 RNA POLYMERASE. HAIRPIN CORRESPONDS TO NT -16 - +5 OF   
*SOURCE  9 PHAGE GA REPLICASE AND THE YEAST PRE-MRNA BRANCHPOINT HELIX
*KEYWDS   BRANCHPOINT HELIX, PHAGE MS2, BULGE, BASE TRIPLE,           
*KEYWDS  2 RIBONUCLEIC ACID                                           
*EXPDTA   NMR, 12 STRUCTURES                                          
*AUTHOR   E.P.NIKONOWICZ,J.S.SMITH                                    
*REVDAT  1   20-APR-99 17RA    0                                      
 
! noe constraints for the ra17 hairpin                                          
! last updated 10.17.97 by jeff s.                                              
!                                                                               
!                                                                               
!         U11  U12              these are the distance restraints i'm using:    
!         /     \                                                               
!       A10     A13             very strong     2.40 2.4 0.6    (0.0 - 3.0 A)   
!         \     /               strong          2.90 2.9 1.1    (0.0 - 4.0 A)   
!         G9 - C14              medium          3.40 3.4 1.6    (0.0 - 5.0 A)   
!         G8 - C15              weak            3.90 3.9 2.1    (0.0 - 6.0 A)   
!       A7                      very weak       4.40 4.4 2.6    (0.0 - 7.0 A)   
!            ? U16                                                              
!       A6                                                                      
!         U5 - A17                                                              
!         G4 - U18                                                              
!         C3 - G19                                                              
!         G2 - C20                                                              
!         G1 - C21                                                              
!        5'       3'                                                            
!                                                                               
!                                                                               
! note: crosspeaks aren't (shouldn't) be duplicated here the other way round,   
!       so to look something up, use this ranking order:                        
!                                                                               
!       H2 > H5 > H6/8 > H1' > H2' > H3' > H4' > H5' > H5"                      
!                                                                               
! note: in all these entries, 5' is the downfield and 5''is the upfield peak    
!                                                                               
! ****************************************************************************  
!                                                                               
!  base to base                                                                 
!                                                                               
! ****************************************************************************  
!                                                                               
assign ( resid  5 and name H6  ) ( resid  6 and name H8  ) 4.40 4.4 2.6         
assign ( resid  6 and name H8  ) ( resid  7 and name H8  ) 4.40 4.4 2.6         
assign ( resid  8 and name H8  ) ( resid  9 and name H8  ) 4.40 4.4 2.6         
assign ( resid  9 and name H8  ) ( resid 10 and name H8  ) 4.40 4.4 2.6         
assign ( resid 10 and name H8  ) ( resid 11 and name H6  ) 4.40 4.4 2.6         
assign ( resid 13 and name H8  ) ( resid 14 and name H6  ) 4.40 4.4 2.6         
assign ( resid 15 and name H6  ) ( resid 16 and name H6  ) 4.40 4.4 2.6         
assign ( resid 16 and name H6  ) ( resid 17 and name H8  ) 4.40 4.4 2.6         
assign ( resid 17 and name H8  ) ( resid 18 and name H6  ) 4.40 4.4 2.6         
assign ( resid 18 and name H6  ) ( resid 19 and name H8  ) 4.40 4.4 2.6         
assign ( resid 19 and name H8  ) ( resid 20 and name H6  ) 4.40 4.4 2.6         
!                                                                               
! noes involving the H2s                                                        
!                                                                               
assign ( resid  6 and name H2  ) ( resid 17 and name H8  ) 4.40 4.4 2.6         
assign ( resid  6 and name H2  ) ( resid 17 and name H2  ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 14 and name H5  ) 3.90 3.9 2.1         
assign ( resid 13 and name H2  ) ( resid 14 and name H5  ) 4.40 4.4 2.6         
assign ( resid 17 and name H2  ) ( resid  6 and name H8  ) 4.40 4.4 2.6         
assign ( resid 17 and name H2  ) ( resid 18 and name H5  ) 4.40 4.4 2.6         
!                                                                               
! noes involving the H5s                                                        
!                                                                               
assign ( resid  5 and name H5  ) ( resid  4 and name H8  ) 3.40 3.4 1.6         
assign ( resid 11 and name H5  ) ( resid 10 and name H8  ) 3.90 3.9 2.1         
assign ( resid 14 and name H5  ) ( resid 13 and name H8  ) 3.90 3.9 2.1         
assign ( resid 14 and name H5  ) ( resid 15 and name H5  ) 3.90 3.9 2.1         
assign ( resid 15 and name H5  ) ( resid 16 and name H6  ) 4.40 4.4 2.6         
assign ( resid 16 and name H5  ) ( resid 15 and name H6  ) 3.90 3.9 2.1         
assign ( resid 16 and name H5  ) ( resid 17 and name H8  ) 4.40 4.4 2.6         
assign ( resid 18 and name H5  ) ( resid 17 and name H8  ) 3.40 3.4 1.6         
assign ( resid 20 and name H5  ) ( resid 19 and name H8  ) 3.40 3.4 1.6         
assign ( resid 20 and name H5  ) ( resid 21 and name H5  ) 4.40 4.4 2.6         
!                                                                               
! ****************************************************************************  
!                                                                               
!                                                                               
!  base to sugar, inter-residue                                                 
!                                                                               
!                                                                               
! ****************************************************************************  
!                                                                               
assign ( resid  2 and name H8  ) ( resid  1 and name H1' ) 3.40 3.4 1.6         
assign ( resid  2 and name H8  ) ( resid  1 and name H2'') 2.40 2.4 0.6         
assign ( resid  3 and name H6  ) ( resid  2 and name H1' ) 3.90 3.9 2.1         
assign ( resid  3 and name H6  ) ( resid  2 and name H2'') 3.90 3.9 2.1         
assign ( resid  4 and name H8  ) ( resid  3 and name H1' ) 3.90 3.9 2.1         
assign ( resid  4 and name H8  ) ( resid  3 and name H2'') 2.40 2.4 0.6         
assign ( resid  4 and name H8  ) ( resid  3 and name H3' ) 4.40 4.4 2.6         
assign ( resid  5 and name H6  ) ( resid  4 and name H1' ) 3.90 3.9 2.1         
assign ( resid  5 and name H6  ) ( resid  4 and name H2'') 2.90 2.9 1.1         
assign ( resid  5 and name H6  ) ( resid  4 and name H3' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  5 and name H1' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  5 and name H2'') 2.40 2.4 0.6         
assign ( resid  6 and name H8  ) ( resid  5 and name H3' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  7 and name H1' ) 4.40 4.4 2.6         
assign ( resid  7 and name H8  ) ( resid  6 and name H1' ) 3.40 3.4 1.6         
assign ( resid  7 and name H8  ) ( resid  6 and name H2'') 2.90 2.9 1.1         
assign ( resid  7 and name H8  ) ( resid  6 and name H3' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  7 and name H1' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  7 and name H2'') 2.90 2.9 1.1         
assign ( resid  8 and name H8  ) ( resid  7 and name H3' ) 4.40 4.4 2.6         
assign ( resid  9 and name H8  ) ( resid  8 and name H1' ) 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  8 and name H2'') 2.40 2.4 0.6         
assign ( resid  9 and name H8  ) ( resid  8 and name H3' ) 2.90 2.9 1.1         
!                                                                               
assign ( resid 10 and name H8  ) ( resid  9 and name H1' ) 3.90 3.9 2.1         
assign ( resid 10 and name H8  ) ( resid  9 and name H2'') 2.90 2.9 1.1         
assign ( resid 10 and name H8  ) ( resid  9 and name H3' ) 2.90 2.9 1.1         
assign ( resid 10 and name H8  ) ( resid  9 and name H4' ) 3.40 3.4 1.6         
assign ( resid 10 and name H8  ) ( resid  9 and name H5' ) 3.90 3.9 2.1         
assign ( resid 10 and name H8  ) ( resid  9 and name H5'') 3.90 3.9 2.1         
assign ( resid 11 and name H6  ) ( resid 10 and name H1' ) 4.40 4.4 2.6         
assign ( resid 11 and name H6  ) ( resid 10 and name H2'') 2.40 2.4 0.6         
assign ( resid 11 and name H6  ) ( resid 10 and name H3' ) 2.90 2.9 1.1         
assign ( resid 11 and name H6  ) ( resid 10 and name H4' ) 4.40 4.4 2.6         
assign ( resid 12 and name H6  ) ( resid 11 and name H1' ) 3.40 3.4 1.6         
assign ( resid 12 and name H6  ) ( resid 11 and name H2'') 4.40 4.4 2.6         
assign ( resid 12 and name H6  ) ( resid 11 and name H3' ) 3.40 3.4 1.6         
assign ( resid 12 and name H6  ) ( resid 11 and name H4' ) 3.90 3.9 2.1         
assign ( resid 13 and name H8  ) ( resid 12 and name H1' ) 3.90 3.9 2.1         
assign ( resid 13 and name H8  ) ( resid 12 and name H2'') 3.40 3.4 1.6         
assign ( resid 13 and name H8  ) ( resid 12 and name H3' ) 3.40 3.4 1.6         
assign ( resid 13 and name H8  ) ( resid 12 and name H4' ) 4.40 4.4 2.6         
assign ( resid 13 and name H8  ) ( resid 12 and name H5' ) 4.40 4.4 2.6         
assign ( resid 13 and name H8  ) ( resid 12 and name H5'') 4.40 4.4 2.6         
assign ( resid 14 and name H6  ) ( resid 13 and name H1' ) 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 13 and name H2'') 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 13 and name H3' ) 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 13 and name H4' ) 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 13 and name H5' ) 3.90 3.9 2.1         
assign ( resid 14 and name H6  ) ( resid 13 and name H5'') 3.90 3.9 2.1         
!                                                                               
assign ( resid 15 and name H6  ) ( resid 14 and name H1' ) 3.40 3.4 1.6         
assign ( resid 15 and name H6  ) ( resid 14 and name H2'') 3.40 3.4 1.6         
assign ( resid 15 and name H6  ) ( resid 14 and name H3' ) 3.90 3.9 2.1         
assign ( resid 16 and name H6  ) ( resid 15 and name H1' ) 3.90 3.9 2.1         
assign ( resid 16 and name H6  ) ( resid 15 and name H2'') 2.40 2.4 0.6         
assign ( resid 16 and name H6  ) ( resid 15 and name H3' ) 2.90 2.9 1.1         
assign ( resid 17 and name H8  ) ( resid 16 and name H1' ) 3.40 3.4 1.6         
assign ( resid 17 and name H8  ) ( resid 16 and name H2'') 2.40 2.4 0.6         
assign ( resid 17 and name H8  ) ( resid 16 and name H3' ) 3.40 3.4 1.6         
assign ( resid 17 and name H8  ) ( resid 16 and name H4' ) 3.90 3.9 2.1         
assign ( resid 17 and name H8  ) ( resid 18 and name H1' ) 4.40 4.4 2.6         
assign ( resid 18 and name H6  ) ( resid 17 and name H1' ) 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 17 and name H2'') 2.40 2.4 0.6         
assign ( resid 18 and name H6  ) ( resid 17 and name H3' ) 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 17 and name H4' ) 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 17 and name H5' ) 4.40 4.4 2.6         
assign ( resid 19 and name H8  ) ( resid 18 and name H1' ) 3.40 3.4 1.6         
assign ( resid 19 and name H8  ) ( resid 18 and name H2'') 2.40 2.4 0.6         
assign ( resid 19 and name H8  ) ( resid 18 and name H3' ) 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 19 and name H1' ) 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 19 and name H2'') 2.40 2.4 0.6         
assign ( resid 20 and name H6  ) ( resid 19 and name H3' ) 2.90 2.9 1.1         
assign ( resid 21 and name H6  ) ( resid 20 and name H2'') 2.40 2.4 0.6         
assign ( resid 21 and name H6  ) ( resid 20 and name H3' ) 3.90 3.9 2.1         
!                                                                               
! noes involving the H2s                                                        
!                                                                               
assign ( resid  6 and name H2  ) ( resid  7 and name H1' ) 4.40 4.4 2.6         
assign ( resid  6 and name H2  ) ( resid 17 and name H1' ) 3.90 3.9 2.1         
assign ( resid  7 and name H2  ) ( resid  8 and name H1' ) 3.40 3.4 1.6         
assign ( resid  7 and name H2  ) ( resid 16 and name H1' ) 3.40 3.4 1.6         
assign ( resid  7 and name H2  ) ( resid 16 and name H2'') 3.40 3.4 1.6         
assign ( resid  7 and name H2  ) ( resid 17 and name H1' ) 3.40 3.4 1.6         
!                                                                               
!assign ( resid 10 and name H2  ) ( resid  9 and name H2'') 4.40 4.4 2.6        
! or is it A10 H2 to A13 H4'?                                                   
assign ( resid 10 and name H2  ) ( resid 11 and name H1' ) 3.40 3.4 1.6         
assign ( resid 10 and name H2  ) ( resid 11 and name H2'') 3.90 3.9 2.1         
assign ( resid 10 and name H2  ) ( resid 11 and name H3' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 11 and name H4' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 11 and name H5' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 11 and name H5'') 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 12 and name H1' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 12 and name H4' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 12 and name H5'') 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 13 and name H1' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 13 and name H2'') 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 14 and name H1' ) 3.40 3.4 1.6         
!assign ( resid 13 and name H2  ) ( resid  9 and name H1' ) 4.40 4.4 2.6        
!this one doesn't make sense..                                                  
!assign ( resid 13 and name H2  ) ( resid 10 and name H2'') 4.40 4.4 2.6        
! could be U11 H3', not sure yet                                                
assign ( resid 13 and name H2  ) ( resid 10 and name H3' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 11 and name H1' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 11 and name H3' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 11 and name H4' ) 3.90 3.9 2.1         
assign ( resid 13 and name H2  ) ( resid 11 and name H5' ) 3.40 3.4 1.6         
assign ( resid 13 and name H2  ) ( resid 11 and name H5'') 3.40 3.4 1.6         
assign ( resid 13 and name H2  ) ( resid 12 and name H1' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 12 and name H4' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 12 and name H5'') 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 14 and name H1' ) 3.90 3.9 2.1         
!                                                                               
assign ( resid 17 and name H2  ) ( resid  6 and name H1' ) 3.40 3.4 1.6         
assign ( resid 17 and name H2  ) ( resid 18 and name H1' ) 2.90 2.9 1.1         
assign ( resid 17 and name H2  ) ( resid 18 and name H2'') 4.40 4.4 2.6         
assign ( resid 17 and name H2  ) ( resid 18 and name H4' ) 4.40 4.4 2.6         
!                                                                               
! noes involving the H5s                                                        
!                                                                               
assign ( resid  3 and name H5  ) ( resid  2 and name H1' ) 4.40 4.4 2.6         
assign ( resid  3 and name H5  ) ( resid  2 and name H2'') 3.40 3.4 1.6         
assign ( resid  3 and name H5  ) ( resid  2 and name H3' ) 3.90 3.9 2.1         
assign ( resid  5 and name H5  ) ( resid  4 and name H1' ) 3.40 3.4 1.6         
assign ( resid  5 and name H5  ) ( resid  4 and name H2'') 3.90 3.9 2.1         
assign ( resid  5 and name H5  ) ( resid  4 and name H3' ) 3.40 3.4 1.6         
assign ( resid  5 and name H5  ) ( resid  4 and name H3' ) 3.90 3.9 2.1         
!                                                                               
assign ( resid 11 and name H5  ) ( resid 10 and name H2'') 3.40 3.4 1.6         
assign ( resid 11 and name H5  ) ( resid 10 and name H3' ) 3.40 3.4 1.6         
assign ( resid 11 and name H5  ) ( resid 10 and name H4' ) 4.40 4.4 2.6         
assign ( resid 11 and name H5  ) ( resid 10 and name H5' ) 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 13 and name H1' ) 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 13 and name H2'') 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 13 and name H3' ) 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 13 and name H4' ) 4.40 4.4 2.6         
!                                                                               
assign ( resid 15 and name H5  ) ( resid 14 and name H1' ) 4.40 4.4 2.6         
assign ( resid 15 and name H5  ) ( resid 14 and name H2'') 3.40 3.4 1.6         
assign ( resid 15 and name H5  ) ( resid 14 and name H3' ) 3.90 3.9 2.1         
assign ( resid 16 and name H5  ) ( resid 15 and name H2'') 3.90 3.9 2.1         
assign ( resid 18 and name H5  ) ( resid 17 and name H1' ) 4.40 4.4 2.6         
assign ( resid 18 and name H5  ) ( resid 17 and name H2'') 3.40 3.4 1.6         
assign ( resid 18 and name H5  ) ( resid 17 and name H3' ) 3.40 3.4 1.6         
assign ( resid 18 and name H5  ) ( resid 17 and name H4' ) 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 19 and name H1' ) 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 19 and name H2'') 3.40 3.4 1.6         
assign ( resid 20 and name H5  ) ( resid 19 and name H3' ) 3.40 3.4 1.6         
assign ( resid 21 and name H5  ) ( resid 20 and name H2'') 3.90 3.9 2.1         
assign ( resid 21 and name H5  ) ( resid 20 and name H3' ) 4.40 4.4 2.6         
!                                                                               
! ****************************************************************************  
!                                                                               
!                                                                               
!  base to sugar, intra-residue                                                 
!                                                                               
!                                                                               
! ****************************************************************************  
!                                                                               
assign ( resid  1 and name H8  ) ( resid  1 and name H1' ) 3.40 3.4 1.6         
assign ( resid  2 and name H8  ) ( resid  2 and name H1' ) 3.40 3.4 1.6         
assign ( resid  2 and name H8  ) ( resid  2 and name H2'') 3.90 3.9 2.1         
assign ( resid  2 and name H8  ) ( resid  2 and name H3' ) 4.40 4.4 2.6         
assign ( resid  2 and name H8  ) ( resid  2 and name H5' ) 4.40 4.4 2.6         
assign ( resid  2 and name H8  ) ( resid  2 and name H5'') 3.40 3.4 1.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H1' ) 3.40 3.4 1.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H2'') 3.40 3.4 1.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H3' ) 3.40 3.4 1.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H4' ) 3.40 3.4 1.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H5' ) 4.40 4.4 2.6         
assign ( resid  3 and name H6  ) ( resid  3 and name H5'') 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H1' ) 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H2'') 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H3' ) 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H4' ) 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H5' ) 3.40 3.4 1.6         
assign ( resid  4 and name H8  ) ( resid  4 and name H5'') 3.40 3.4 1.6         
assign ( resid  5 and name H6  ) ( resid  5 and name H1' ) 3.40 3.4 1.6         
assign ( resid  5 and name H6  ) ( resid  5 and name H2'') 3.40 3.4 1.6         
assign ( resid  5 and name H6  ) ( resid  5 and name H3' ) 2.90 2.9 1.1         
assign ( resid  5 and name H6  ) ( resid  5 and name H5' ) 4.40 4.4 2.6         
assign ( resid  5 and name H6  ) ( resid  5 and name H5'') 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H1' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H2'') 2.40 2.4 0.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H3' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H4' ) 4.40 4.4 2.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H5' ) 3.40 3.4 1.6         
assign ( resid  6 and name H8  ) ( resid  6 and name H5'') 3.40 3.4 1.6         
assign ( resid  7 and name H8  ) ( resid  7 and name H1' ) 3.40 3.4 1.6         
assign ( resid  7 and name H8  ) ( resid  7 and name H2'') 2.90 2.9 1.1         
assign ( resid  7 and name H8  ) ( resid  7 and name H3' ) 4.40 4.4 2.6         
assign ( resid  7 and name H8  ) ( resid  7 and name H4' ) 4.40 4.4 2.6         
assign ( resid  7 and name H8  ) ( resid  7 and name H5' ) 3.40 3.4 1.6         
assign ( resid  7 and name H8  ) ( resid  7 and name H5'') 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H1' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H2'') 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H3' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H4' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H5' ) 3.40 3.4 1.6         
assign ( resid  8 and name H8  ) ( resid  8 and name H5'') 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H1' ) 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H2'') 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H3' ) 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H4' ) 4.40 4.4 2.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H5' ) 3.40 3.4 1.6         
assign ( resid  9 and name H8  ) ( resid  9 and name H5'') 3.40 3.4 1.6         
!                                                                               
assign ( resid 10 and name H8  ) ( resid 10 and name H1' ) 3.40 3.4 1.6         
assign ( resid 10 and name H8  ) ( resid 10 and name H2'') 2.90 2.9 1.1         
assign ( resid 10 and name H8  ) ( resid 10 and name H3' ) 2.90 2.9 1.1         
assign ( resid 10 and name H8  ) ( resid 10 and name H4' ) 3.40 3.4 1.6         
assign ( resid 10 and name H8  ) ( resid 10 and name H5' ) 3.40 3.4 1.6         
assign ( resid 10 and name H8  ) ( resid 10 and name H5'') 3.40 3.4 1.6         
assign ( resid 11 and name H6  ) ( resid 11 and name H1' ) 3.40 3.4 1.6         
assign ( resid 11 and name H6  ) ( resid 11 and name H2'') 2.40 2.4 0.6         
assign ( resid 11 and name H6  ) ( resid 11 and name H3' ) 2.90 2.9 1.1         
assign ( resid 11 and name H6  ) ( resid 11 and name H4' ) 3.90 3.9 2.1         
assign ( resid 11 and name H6  ) ( resid 11 and name H5' ) 3.40 3.4 1.6         
assign ( resid 11 and name H6  ) ( resid 11 and name H5'') 3.40 3.4 1.6         
assign ( resid 12 and name H6  ) ( resid 12 and name H1' ) 2.90 2.9 1.1         
assign ( resid 12 and name H6  ) ( resid 12 and name H2'') 2.40 2.4 0.6         
assign ( resid 12 and name H6  ) ( resid 12 and name H3' ) 3.40 3.4 1.6         
assign ( resid 12 and name H6  ) ( resid 12 and name H4' ) 3.40 3.4 1.6         
assign ( resid 12 and name H6  ) ( resid 12 and name H5' ) 3.90 3.9 2.1         
assign ( resid 12 and name H6  ) ( resid 12 and name H5'') 3.90 3.9 2.1         
assign ( resid 13 and name H8  ) ( resid 13 and name H1' ) 2.90 2.9 1.1         
assign ( resid 13 and name H8  ) ( resid 13 and name H2'') 2.40 2.4 0.6         
assign ( resid 13 and name H8  ) ( resid 13 and name H3' ) 3.40 3.4 1.6         
assign ( resid 13 and name H8  ) ( resid 13 and name H4' ) 3.90 3.9 2.1         
assign ( resid 13 and name H8  ) ( resid 13 and name H5' ) 3.40 3.4 1.6         
assign ( resid 13 and name H8  ) ( resid 13 and name H5'') 3.40 3.4 1.6         
!                                                                               
assign ( resid 14 and name H6  ) ( resid 14 and name H1' ) 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 14 and name H2'') 4.40 4.4 2.6         
assign ( resid 14 and name H6  ) ( resid 14 and name H3' ) 4.40 4.4 2.6         
assign ( resid 14 and name H6  ) ( resid 14 and name H4' ) 3.40 3.4 1.6         
assign ( resid 14 and name H6  ) ( resid 14 and name H5' ) 2.90 2.9 1.1         
assign ( resid 14 and name H6  ) ( resid 14 and name H5'') 2.90 2.9 1.1         
assign ( resid 15 and name H6  ) ( resid 15 and name H1' ) 3.40 3.4 1.6         
assign ( resid 15 and name H6  ) ( resid 15 and name H2'') 2.90 2.9 1.1         
assign ( resid 15 and name H6  ) ( resid 15 and name H3' ) 2.90 2.9 1.1         
assign ( resid 15 and name H6  ) ( resid 15 and name H4' ) 3.40 3.4 1.6         
assign ( resid 15 and name H6  ) ( resid 15 and name H5'') 3.40 3.4 1.6         
assign ( resid 16 and name H6  ) ( resid 16 and name H1' ) 3.90 3.9 2.1         
assign ( resid 16 and name H6  ) ( resid 16 and name H2'') 2.90 2.9 1.1         
assign ( resid 16 and name H6  ) ( resid 16 and name H3' ) 2.90 2.9 1.1         
assign ( resid 16 and name H6  ) ( resid 16 and name H5' ) 4.40 4.4 2.6         
assign ( resid 16 and name H6  ) ( resid 16 and name H5'') 4.40 4.4 2.6         
assign ( resid 17 and name H8  ) ( resid 17 and name H1' ) 3.40 3.4 1.6         
assign ( resid 17 and name H8  ) ( resid 17 and name H2'') 2.90 2.9 1.1         
assign ( resid 17 and name H8  ) ( resid 17 and name H3' ) 2.90 2.9 1.1         
assign ( resid 17 and name H8  ) ( resid 17 and name H4' ) 3.40 3.4 1.6         
assign ( resid 17 and name H8  ) ( resid 17 and name H5' ) 4.40 4.4 2.6         
assign ( resid 17 and name H8  ) ( resid 17 and name H5'') 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 18 and name H1' ) 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 18 and name H2'') 2.90 2.9 1.1         
assign ( resid 18 and name H6  ) ( resid 18 and name H3' ) 2.90 2.9 1.1         
assign ( resid 18 and name H6  ) ( resid 18 and name H4' ) 3.40 3.4 1.6         
assign ( resid 18 and name H6  ) ( resid 18 and name H5' ) 4.40 4.4 2.6         
assign ( resid 18 and name H6  ) ( resid 18 and name H5'') 3.40 3.4 1.6         
assign ( resid 19 and name H8  ) ( resid 19 and name H1' ) 3.40 3.4 1.6         
assign ( resid 19 and name H8  ) ( resid 19 and name H2'') 4.40 4.4 2.6         
assign ( resid 19 and name H8  ) ( resid 19 and name H3' ) 3.40 3.4 1.6         
assign ( resid 19 and name H8  ) ( resid 19 and name H5' ) 4.40 4.4 2.6         
assign ( resid 19 and name H8  ) ( resid 19 and name H5'') 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 20 and name H1' ) 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 20 and name H2'') 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 20 and name H3' ) 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 20 and name H4' ) 3.40 3.4 1.6         
assign ( resid 20 and name H6  ) ( resid 20 and name H5'') 3.40 3.4 1.6         
assign ( resid 21 and name H6  ) ( resid 21 and name H1' ) 3.40 3.4 1.6         
assign ( resid 21 and name H6  ) ( resid 21 and name H2'') 3.40 3.4 1.6         
assign ( resid 21 and name H6  ) ( resid 21 and name H3' ) 3.40 3.4 1.6         
assign ( resid 21 and name H6  ) ( resid 21 and name H5' ) 3.40 3.4 1.6         
!                                                                               
! noes involving the H2s                                                        
!                                                                               
assign ( resid  7 and name H2  ) ( resid  7 and name H1' ) 4.40 4.4 2.6         
assign ( resid  7 and name H2  ) ( resid  7 and name H2'') 4.40 4.4 2.6         
assign ( resid 10 and name H2  ) ( resid 10 and name H1' ) 3.90 3.9 2.1         
assign ( resid 10 and name H2  ) ( resid 10 and name H2'') 3.40 3.4 1.6         
assign ( resid 13 and name H2  ) ( resid 13 and name H1' ) 3.90 3.9 2.1         
assign ( resid 13 and name H2  ) ( resid 13 and name H2'') 4.40 4.4 2.6         
assign ( resid 13 and name H2  ) ( resid 13 and name H4' ) 4.40 4.4 2.6         
assign ( resid 17 and name H2  ) ( resid 17 and name H1' ) 3.90 3.9 2.1         
assign ( resid 17 and name H2  ) ( resid 17 and name H2'') 4.40 4.4 2.6         
!                                                                               
! noes involving the H5s                                                        
!                                                                               
assign ( resid  3 and name H5  ) ( resid  3 and name H1' ) 4.40 4.4 2.6         
assign ( resid  5 and name H5  ) ( resid  5 and name H1' ) 4.40 4.4 2.6         
assign ( resid  5 and name H5  ) ( resid  5 and name H2'') 4.40 4.4 2.6         
assign ( resid  5 and name H5  ) ( resid  5 and name H3' ) 4.40 4.4 2.6         
assign ( resid 11 and name H5  ) ( resid 11 and name H1' ) 4.40 4.4 2.6         
assign ( resid 11 and name H5  ) ( resid 11 and name H2'') 3.90 3.9 2.1         
assign ( resid 12 and name H5  ) ( resid 12 and name H2'') 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 14 and name H1' ) 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 14 and name H2'') 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 14 and name H3' ) 4.40 4.4 2.6         
assign ( resid 14 and name H5  ) ( resid 14 and name H5' ) 3.90 3.9 2.1         
assign ( resid 16 and name H5  ) ( resid 16 and name H2'') 4.40 4.4 2.6         
assign ( resid 16 and name H5  ) ( resid 16 and name H3' ) 4.40 4.4 2.6         
assign ( resid 16 and name H5  ) ( resid 16 and name H5'') 4.40 4.4 2.6         
assign ( resid 18 and name H5  ) ( resid 18 and name H1' ) 4.40 4.4 2.6         
assign ( resid 18 and name H5  ) ( resid 18 and name H2'') 3.90 3.9 2.1         
assign ( resid 18 and name H5  ) ( resid 18 and name H3' ) 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 20 and name H1' ) 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 20 and name H2'') 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 20 and name H5' ) 4.40 4.4 2.6         
assign ( resid 20 and name H5  ) ( resid 20 and name H3' ) 3.90 3.9 2.1         
assign ( resid 21 and name H5  ) ( resid 21 and name H1' ) 4.40 4.4 2.6         
assign ( resid 21 and name H5  ) ( resid 21 and name H2'') 4.40 4.4 2.6         
assign ( resid 21 and name H5  ) ( resid 21 and name H3' ) 3.90 3.9 2.1         
assign ( resid 21 and name H5  ) ( resid 21 and name H5' ) 4.40 4.4 2.6         
assign ( resid 21 and name H5  ) ( resid 21 and name H5'') 4.40 4.4 2.6         
!                                                                               
! ****************************************************************************  
!                                                                               
!                                                                               
!  sugar to sugar, inter-residue                                                
!                                                                               
!                                                                               
! ****************************************************************************  
!                                                                               
assign ( resid  1 and name H1' ) ( resid  2 and name H1' ) 4.40 4.4 2.6         
assign ( resid  1 and name H2'') ( resid  2 and name H1' ) 4.40 4.4 2.6         
assign ( resid  1 and name H2'') ( resid  2 and name H5' ) 3.90 3.9 2.1         
assign ( resid  1 and name H2'') ( resid  2 and name H5'') 3.90 3.9 2.1         
assign ( resid  2 and name H2'') ( resid  3 and name H1' ) 3.40 3.4 1.6         
assign ( resid  3 and name H1' ) ( resid  4 and name H1' ) 4.40 4.4 2.6         
assign ( resid  3 and name H2'') ( resid  4 and name H1' ) 3.40 3.4 1.6         
assign ( resid  3 and name H2'') ( resid  4 and name H5' ) 3.40 3.4 1.6         
assign ( resid  4 and name H1' ) ( resid  5 and name H1' ) 4.40 4.4 2.6         
assign ( resid  4 and name H2'') ( resid  5 and name H1' ) 3.90 3.9 2.1         
assign ( resid  4 and name H2'') ( resid  5 and name H4' ) 4.40 4.4 2.6         
assign ( resid  4 and name H2'') ( resid  5 and name H5' ) 3.40 3.4 1.6         
assign ( resid  5 and name H2'') ( resid  6 and name H1' ) 3.90 3.9 2.1         
assign ( resid  5 and name H2'') ( resid  6 and name H3' ) 3.90 3.9 2.1         
assign ( resid  5 and name H2'') ( resid  6 and name H4' ) 3.90 3.9 2.1         
assign ( resid  5 and name H3' ) ( resid  6 and name H4' ) 4.40 4.4 2.6         
assign ( resid  6 and name H1' ) ( resid  7 and name H1' ) 4.40 4.4 2.6         
assign ( resid  6 and name H1' ) ( resid  7 and name H3' ) 4.40 4.4 2.6         
assign ( resid  6 and name H2'') ( resid  7 and name H1' ) 3.90 3.9 2.1         
assign ( resid  6 and name H3' ) ( resid  7 and name H1' ) 4.40 4.4 2.6         
!assign ( resid  6 and name H4' ) ( resid  7 and name H3' ) 3.90 3.9 2.1        
! could be to A7 H2'' (this one is wierd..)                                     
assign ( resid  7 and name H1' ) ( resid  8 and name H1' ) 4.40 4.4 2.6         
assign ( resid  7 and name H2'') ( resid  8 and name H1' ) 3.90 3.9 2.1         
assign ( resid  7 and name H2'') ( resid  8 and name H5' ) 3.90 3.9 2.1         
assign ( resid  7 and name H2'') ( resid  8 and name H5'') 3.90 3.9 2.1         
assign ( resid  8 and name H2'') ( resid  9 and name H1' ) 3.40 3.4 1.6         
assign ( resid  8 and name H2'') ( resid  9 and name H5' ) 3.40 3.4 1.6         
!                                                                               
assign ( resid  9 and name H2'') ( resid 10 and name H4' ) 3.90 3.9 2.1         
assign ( resid  9 and name H2'') ( resid 10 and name H5' ) 3.40 3.4 1.6         
assign ( resid  9 and name H2'') ( resid 10 and name H5'') 3.40 3.4 1.6         
assign ( resid 10 and name H1' ) ( resid 11 and name H5' ) 4.40 4.4 2.6         
assign ( resid 10 and name H2'') ( resid 11 and name H1' ) 3.90 3.9 2.1         
assign ( resid 10 and name H2'') ( resid 11 and name H5' ) 2.90 2.9 1.1         
assign ( resid 10 and name H2'') ( resid 11 and name H5'') 3.40 3.4 1.6         
assign ( resid 10 and name H3' ) ( resid 11 and name H5' ) 3.40 3.4 1.6         
assign ( resid 10 and name H3' ) ( resid 11 and name H5'') 3.40 3.4 1.6         
assign ( resid 10 and name H5' ) ( resid 11 and name H5' ) 4.40 4.4 2.6         
assign ( resid 10 and name H5'') ( resid 11 and name H5' ) 4.40 4.4 2.6         
assign ( resid 11 and name H1' ) ( resid 12 and name H4' ) 3.90 3.9 2.1         
assign ( resid 11 and name H1' ) ( resid 12 and name H3' ) 4.40 4.4 2.6         
assign ( resid 11 and name H1' ) ( resid 12 and name H5'') 3.90 3.9 2.1         
assign ( resid 11 and name H3' ) ( resid 12 and name H4' ) 3.90 3.9 2.1         
assign ( resid 11 and name H3' ) ( resid 12 and name H5' ) 3.90 3.9 2.1         
assign ( resid 11 and name H3' ) ( resid 12 and name H5'') 3.90 3.9 2.1         
assign ( resid 11 and name H4' ) ( resid 12 and name H1' ) 4.40 4.4 2.6         
assign ( resid 11 and name H4' ) ( resid 12 and name H3' ) 3.40 3.4 1.6         
assign ( resid 11 and name H4' ) ( resid 12 and name H4' ) 3.40 3.4 1.6         
assign ( resid 11 and name H4' ) ( resid 12 and name H5' ) 3.40 3.4 1.6         
assign ( resid 11 and name H4' ) ( resid 12 and name H5'') 3.40 3.4 1.6         
assign ( resid 12 and name H4' ) ( resid 13 and name H1' ) 3.90 3.9 2.1         
!assign ( resid 12 and name H4' ) ( resid 13 and name H2'') 4.40 4.4 2.6        
! could be to A13 H3', not sure yet                                             
assign ( resid 13 and name H1' ) ( resid 14 and name H1' ) 3.90 3.9 2.1         
!assign ( resid 13 and name H1' ) ( resid 14 and name H4' ) 3.90 3.9 2.1        
! could be to U12 H3', not sure yet                                             
assign ( resid 13 and name H1' ) ( resid 14 and name H5' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2'') ( resid 14 and name H1' ) 4.40 4.4 2.6         
assign ( resid 13 and name H2'') ( resid 14 and name H5' ) 3.90 3.9 2.1         
!assign ( resid 13 and name H3' ) ( resid 14 and name H4' ) 3.90 3.9 2.1        
! could be to A13 H2'', not sure yet                                            
assign ( resid 13 and name H3' ) ( resid 14 and name H5' ) 3.90 3.9 2.1         
!                                                                               
assign ( resid 14 and name H2'') ( resid 15 and name H1' ) 3.90 3.9 2.1         
assign ( resid 14 and name H2'') ( resid 15 and name H5' ) 3.90 3.9 2.1         
assign ( resid 14 and name H3' ) ( resid 15 and name H5' ) 3.90 3.9 2.1         
assign ( resid 15 and name H2'') ( resid 16 and name H1' ) 3.40 3.4 1.6         
assign ( resid 16 and name H1' ) ( resid 17 and name H1' ) 4.40 4.4 2.6         
assign ( resid 16 and name H2'') ( resid 17 and name H1' ) 3.90 3.9 2.1         
assign ( resid 17 and name H1' ) ( resid 18 and name H1' ) 4.40 4.4 2.6         
assign ( resid 17 and name H1' ) ( resid 18 and name H4' ) 3.90 3.9 2.1         
assign ( resid 17 and name H2'') ( resid 18 and name H1' ) 3.40 3.4 1.6         
assign ( resid 17 and name H2'') ( resid 18 and name H5'') 3.40 3.4 1.6         
assign ( resid 17 and name H3' ) ( resid 18 and name H5'') 3.90 3.9 2.1         
assign ( resid 18 and name H2'') ( resid 19 and name H1' ) 3.40 3.4 1.6         
assign ( resid 19 and name H2'') ( resid 20 and name H1' ) 4.40 4.4 2.6         
assign ( resid 19 and name H2'') ( resid 20 and name H5' ) 3.90 3.9 2.1         
assign ( resid 20 and name H1' ) ( resid 21 and name H4' ) 3.90 3.9 2.1         
assign ( resid 20 and name H2'') ( resid 21 and name H1' ) 3.90 3.9 2.1         
assign ( resid 20 and name H2'') ( resid 21 and name H5' ) 3.90 3.9 2.1         
assign ( resid 20 and name H2'') ( resid 21 and name H5'') 3.90 3.9 2.1         
!                                                                               
! iminos                                                                        
!                                                                               
assign ( resid  1 and name H1  ) ( resid  2 and name H1' ) 4.40 4.4 2.6         
assign ( resid  1 and name H1  ) ( resid 21 and name H42 ) 2.90 2.9 1.1         
assign ( resid  1 and name H1  ) ( resid 21 and name H41 ) 2.90 2.9 1.1         
assign ( resid  1 and name H1  ) ( resid 21 and name H5  ) 4.40 4.4 2.6         
assign ( resid  1 and name H1  ) ( resid 21 and name H6  ) 4.40 4.4 2.6         
!                                                                               
assign ( resid  2 and name H1  ) ( resid 19 and name H1  ) 3.40 3.4 1.6         
assign ( resid  2 and name H1  ) ( resid 20 and name H42 ) 2.90 2.9 1.1         
assign ( resid  2 and name H1  ) ( resid 20 and name H41 ) 2.90 2.9 1.1         
assign ( resid  2 and name H1  ) ( resid 20 and name H5  ) 3.90 3.9 2.1         
assign ( resid  2 and name H1  ) ( resid 20 and name H1' ) 3.90 3.9 2.1         
assign ( resid  2 and name H1  ) ( resid 21 and name H42 ) 3.40 3.4 1.6         
assign ( resid  2 and name H1  ) ( resid 21 and name H5  ) 3.90 3.9 2.1         
assign ( resid  2 and name H1  ) ( resid 21 and name H6  ) 3.90 3.9 2.1         
assign ( resid  2 and name H1  ) ( resid 21 and name H1' ) 3.90 3.9 2.1         
!                                                                               
assign ( resid  4 and name H1  ) ( resid  3 and name H42 ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid  5 and name H3  ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid  5 and name H1' ) 3.90 3.9 2.1         
assign ( resid  4 and name H1  ) ( resid 17 and name H61 ) 3.90 3.9 2.1         
assign ( resid  4 and name H1  ) ( resid 17 and name H62 ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid 17 and name H2  ) 3.90 3.9 2.1         
assign ( resid  4 and name H1  ) ( resid 18 and name H3  ) 2.90 2.9 1.1         
assign ( resid  4 and name H1  ) ( resid 18 and name H5  ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid 18 and name H1' ) 3.90 3.9 2.1         
assign ( resid  4 and name H1  ) ( resid 19 and name H1  ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid 19 and name H8  ) 4.40 4.4 2.6         
assign ( resid  4 and name H1  ) ( resid 19 and name H1' ) 3.90 3.9 2.1         
!                                                                               
assign ( resid  5 and name H3  ) ( resid  4 and name H21 ) 4.40 4.4 2.6         
assign ( resid  5 and name H3  ) ( resid  4 and name H22 ) 4.40 4.4 2.6         
assign ( resid  5 and name H3  ) ( resid 18 and name H3  ) 4.40 4.4 2.6         
assign ( resid  5 and name H3  ) ( resid 17 and name H61 ) 3.40 3.4 1.6         
assign ( resid  5 and name H3  ) ( resid 17 and name H62 ) 3.40 3.4 1.6         
assign ( resid  5 and name H3  ) ( resid 17 and name H2  ) 2.90 2.9 1.1         
!                                                                               
assign ( resid  9 and name H1  ) ( resid 10 and name H1' ) 4.40 4.4 2.6         
assign ( resid  9 and name H1  ) ( resid 14 and name H42 ) 2.90 2.9 1.1         
assign ( resid  9 and name H1  ) ( resid 14 and name H41 ) 2.90 2.9 1.1         
assign ( resid  9 and name H1  ) ( resid 14 and name H5  ) 4.40 4.4 2.6         
assign ( resid  9 and name H1  ) ( resid 15 and name H5  ) 4.40 4.4 2.6         
assign ( resid  9 and name H1  ) ( resid 15 and name H6  ) 4.40 4.4 2.6         
assign ( resid  9 and name H1  ) ( resid 15 and name H1' ) 4.40 4.4 2.6         
!                                                                               
assign ( resid 18 and name H3  ) ( resid  3 and name H42 ) 4.40 4.4 2.6         
assign ( resid 18 and name H3  ) ( resid  4 and name H21 ) 3.40 3.4 1.6         
assign ( resid 18 and name H3  ) ( resid  4 and name H22 ) 4.40 4.4 2.6         
assign ( resid 18 and name H3  ) ( resid 17 and name H62 ) 3.90 3.9 2.1         
assign ( resid 18 and name H3  ) ( resid 17 and name H61 ) 3.90 3.9 2.1         
assign ( resid 18 and name H3  ) ( resid 17 and name H2  ) 3.90 3.9 2.1         
assign ( resid 18 and name H3  ) ( resid 18 and name H1' ) 3.90 3.9 2.1         
assign ( resid 18 and name H3  ) ( resid 19 and name H1  ) 4.40 4.4 2.6         
assign ( resid 18 and name H3  ) ( resid 19 and name H1' ) 4.40 4.4 2.6         
!                                                                               
assign ( resid 19 and name H1  ) ( resid  3 and name H42 ) 2.90 2.9 1.1         
assign ( resid 19 and name H1  ) ( resid  3 and name H41 ) 2.90 2.9 1.1         
assign ( resid 19 and name H1  ) ( resid  4 and name H21 ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid  4 and name H22 ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid  4 and name H8  ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid  4 and name H1' ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid 20 and name H42 ) 3.40 3.4 1.6         
assign ( resid 19 and name H1  ) ( resid 20 and name H5  ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid 20 and name H6  ) 3.90 3.9 2.1         
assign ( resid 19 and name H1  ) ( resid 20 and name H1' ) 3.90 3.9 2.1         
!                                                                               
! aminos                                                                        
!                                                                               
assign ( resid 14 and name H41 ) ( resid 10 and name H2  ) 3.90 3.9 2.1         
assign ( resid 14 and name H42 ) ( resid 10 and name H2  ) 3.90 3.9 2.1         
!                                                                               
assign ( resid 20 and name H41 ) ( resid 21 and name H5  ) 3.90 3.9 2.1         
assign ( resid 20 and name H42 ) ( resid 21 and name H5  ) 3.90 3.9 2.1         
assign ( resid 20 and name H42 ) ( resid 20 and name H1' ) 4.40 4.4 2.6         
!                                                                               
! backbone constraints for the ra17 hairpin                                     
! last updated 1.7.98 by jeff s.                                                
!                                                                               
!                                                                               
!         U11  U12                                                              
!         /     \       the ra17 hairpin!                                       
!       A10     A13                                                             
!         \     /                                                               
!         G9 - C14                                                              
!         G8 - C15                                                              
!       A7                                                                      
!            ? U16                                                              
!       A6                                                                      
!         U5 - A17                                                              
!         G4 - U18                                                              
!         C3 - G19                                                              
!         G2 - C20                                                              
!         G1 - C21                                                              
!       5'        3'                                                            
!                                                                               
!                                                                               
! ****************************************************************************  
!                                                                               
! beta                                                                          
!                                                                               
! ****************************************************************************  
!                                                                               
! note: i'm less confident of these.  for residues with                         
!       P-H5'/5'' crosspeaks in the HetCor spectrum, i'm just                   
!       not constraining them.                                                  
!                                                                               
! G1 - no 5' phosphate                                                          
!                                                                               
!                                                                               
! G2                                                                            
!                                                                               
assign (segid RA17 and resid  2  and name P  )                                  
       (segid RA17 and resid  2  and name O5')                                  
       (segid RA17 and resid  2  and name C5')                                  
       (segid RA17 and resid  2  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! C3                                                                            
!                                                                               
assign (segid RA17 and resid  3  and name P  )                                  
       (segid RA17 and resid  3  and name O5')                                  
       (segid RA17 and resid  3  and name C5')                                  
       (segid RA17 and resid  3  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! G4                                                                            
!                                                                               
assign (segid RA17 and resid  4  and name P  )                                  
       (segid RA17 and resid  4  and name O5')                                  
       (segid RA17 and resid  4  and name C5')                                  
       (segid RA17 and resid  4  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! U5                                                                            
!                                                                               
assign (segid RA17 and resid  5  and name P  )                                  
       (segid RA17 and resid  5  and name O5')                                  
       (segid RA17 and resid  5  and name C5')                                  
       (segid RA17 and resid  5  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! A6 (no P-H5'/5" peak in HetCor)                                               
!                                                                               
assign (segid RA17 and resid  6  and name P  )                                  
       (segid RA17 and resid  6  and name O5')                                  
       (segid RA17 and resid  6  and name C5')                                  
       (segid RA17 and resid  6  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! A7 (no P-H5'/5" peak in HetCor)                                               
!                                                                               
assign (segid RA17 and resid  7  and name P  )                                  
       (segid RA17 and resid  7  and name O5')                                  
       (segid RA17 and resid  7  and name C5')                                  
       (segid RA17 and resid  7  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! G8                                                                            
!                                                                               
!assign (segid RA17 and resid  8  and name P  )                                 
!       (segid RA17 and resid  8  and name O5')                                 
!       (segid RA17 and resid  8  and name C5')                                 
!       (segid RA17 and resid  8  and name C4') 30.0 -180 20.0 2                
!                                                                               
! G9                                                                            
!                                                                               
assign (segid RA17 and resid  9  and name P  )                                  
       (segid RA17 and resid  9  and name O5')                                  
       (segid RA17 and resid  9  and name C5')                                  
       (segid RA17 and resid  9  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! A10 (weak P-H5' peak in HetCor)                                               
!                                                                               
!assign (segid RA17 and resid 10  and name P  )                                 
!       (segid RA17 and resid 10  and name O5')                                 
!       (segid RA17 and resid 10  and name C5')                                 
!       (segid RA17 and resid 10  and name C4') 30.0 -180 20.0 2                
!                                                                               
! U11 (weak P-H5" peak in HetCor)                                               
!                                                                               
!assign (segid RA17 and resid 11  and name P  )                                 
!       (segid RA17 and resid 11  and name O5')                                 
!       (segid RA17 and resid 11  and name C5')                                 
!       (segid RA17 and resid 11  and name C4') 30.0 -180 20.0 2                
!                                                                               
! U12 (P-H5' and P-H5" peaks in HetCor)                                         
!                                                                               
!assign (segid RA17 and resid 12  and name P  )                                 
!       (segid RA17 and resid 12  and name O5')                                 
!       (segid RA17 and resid 12  and name C5')                                 
!       (segid RA17 and resid 12  and name C4') 30.0 -180 20.0 2                
!                                                                               
! A13 (P-H5'/5" peaks in HetCor)                                                
!                                                                               
!assign (segid RA17 and resid 13  and name P  )                                 
!       (segid RA17 and resid 13  and name O5')                                 
!       (segid RA17 and resid 13  and name C5')                                 
!       (segid RA17 and resid 13  and name C4') 30.0 -180 20.0 2                
!                                                                               
! C14 (P-H5'/5" peaks in HetCor)                                                
!                                                                               
!assign (segid RA17 and resid 14  and name P  )                                 
!       (segid RA17 and resid 14  and name O5')                                 
!       (segid RA17 and resid 14  and name C5')                                 
!       (segid RA17 and resid 14  and name C4') 30.0 -180 20.0 2                
!                                                                               
! C15                                                                           
!                                                                               
assign (segid RA17 and resid 15  and name P  )                                  
       (segid RA17 and resid 15  and name O5')                                  
       (segid RA17 and resid 15  and name C5')                                  
       (segid RA17 and resid 15  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! U16 (weak P-H5' peak in HetCor)                                               
!                                                                               
!assign (segid RA17 and resid 16  and name P  )                                 
!       (segid RA17 and resid 16  and name O5')                                 
!       (segid RA17 and resid 16  and name C5')                                 
!       (segid RA17 and resid 16  and name C4') 30.0 -180 20.0 2                
!                                                                               
! A17                                                                           
!                                                                               
!assign (segid RA17 and resid 17  and name P  )                                 
!       (segid RA17 and resid 17  and name O5')                                 
!       (segid RA17 and resid 17  and name C5')                                 
!       (segid RA17 and resid 17  and name C4') 30.0 -180 20.0 2                
!                                                                               
! U18                                                                           
!                                                                               
assign (segid RA17 and resid 18  and name P  )                                  
       (segid RA17 and resid 18  and name O5')                                  
       (segid RA17 and resid 18  and name C5')                                  
       (segid RA17 and resid 18  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! G19                                                                           
!                                                                               
assign (segid RA17 and resid 19  and name P  )                                  
       (segid RA17 and resid 19  and name O5')                                  
       (segid RA17 and resid 19  and name C5')                                  
       (segid RA17 and resid 19  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! C20                                                                           
!                                                                               
assign (segid RA17 and resid 20  and name P  )                                  
       (segid RA17 and resid 20  and name O5')                                  
       (segid RA17 and resid 20  and name C5')                                  
       (segid RA17 and resid 20  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! C21                                                                           
!                                                                               
assign (segid RA17 and resid 21  and name P  )                                  
       (segid RA17 and resid 21  and name O5')                                  
       (segid RA17 and resid 21  and name C5')                                  
       (segid RA17 and resid 21  and name C4') 30.0 -180 20.0 2                 
!                                                                               
! ****************************************************************************  
!                                                                               
! gamma                                                                         
!                                                                               
! ****************************************************************************  
!                                                                               
! note: i'm constraining these to normal a-form limits unless i see a H4' to H5'
!       crosspeak in the DQF-COSY and/or unequal H4' to H5'/5" crosspeaks in the
!       3D 75ms NOESY, in which case i'm leaving them unconstrained.            
!                                                                               
! G1 (doesn't really matter)                                                    
!                                                                               
!assign (segid RA17 and resid  1  and name O5')                                 
!       (segid RA17 and resid  1  and name C5')                                 
!       (segid RA17 and resid  1  and name C4')                                 
!       (segid RA17 and resid  1  and name C3') 30.0 60.0 20.0 2                
!                                                                               
! G2                                                                            
!                                                                               
assign (segid RA17 and resid  2  and name O5')                                  
       (segid RA17 and resid  2  and name C5')                                  
       (segid RA17 and resid  2  and name C4')                                  
       (segid RA17 and resid  2  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! C3                                                                            
!                                                                               
assign (segid RA17 and resid  3  and name O5')                                  
       (segid RA17 and resid  3  and name C5')                                  
       (segid RA17 and resid  3  and name C4')                                  
       (segid RA17 and resid  3  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! G4                                                                            
!                                                                               
assign (segid RA17 and resid  4  and name O5')                                  
       (segid RA17 and resid  4  and name C5')                                  
       (segid RA17 and resid  4  and name C4')                                  
       (segid RA17 and resid  4  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! U5                                                                            
!                                                                               
assign (segid RA17 and resid  5  and name O5')                                  
       (segid RA17 and resid  5  and name C5')                                  
       (segid RA17 and resid  5  and name C4')                                  
       (segid RA17 and resid  5  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! A6 (unequal H4'-H5'/5" peaks in 75ms 3D NOESY?)                               
!                                                                               
!assign (segid RA17 and resid  6  and name O5')                                 
!       (segid RA17 and resid  6  and name C5')                                 
!       (segid RA17 and resid  6  and name C4')                                 
!       (segid RA17 and resid  6  and name C3') 30.0 60.0 20.0 2                
!                                                                               
! A7 (unequal H4'-H5'/5" peaks in 75ms 3D NOESY?)                               
!                                                                               
!assign (segid RA17 and resid  7  and name O5')                                 
!       (segid RA17 and resid  7  and name C5')                                 
!       (segid RA17 and resid  7  and name C4')                                 
!       (segid RA17 and resid  7  and name C3') 30.0 60.0 20.0 2                
!                                                                               
! G8                                                                            
!                                                                               
assign (segid RA17 and resid  8  and name O5')                                  
       (segid RA17 and resid  8  and name C5')                                  
       (segid RA17 and resid  8  and name C4')                                  
       (segid RA17 and resid  8  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! G9                                                                            
!                                                                               
assign (segid RA17 and resid  9  and name O5')                                  
       (segid RA17 and resid  9  and name C5')                                  
       (segid RA17 and resid  9  and name C4')                                  
       (segid RA17 and resid  9  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! A10                                                                           
!                                                                               
assign (segid RA17 and resid 10  and name O5')                                  
       (segid RA17 and resid 10  and name C5')                                  
       (segid RA17 and resid 10  and name C4')                                  
       (segid RA17 and resid 10  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! U11 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,                             
!      weak H4'-H5' peak in DQF-COSY)                                           
!                                                                               
!assign (segid RA17 and resid 11  and name O5')                                 
!       (segid RA17 and resid 11  and name C5')                                 
!       (segid RA17 and resid 11  and name C4')                                 
!       (segid RA17 and resid 11  and name C3') 30.0 -120.0 110.0 2             
!                                                                               
! U12 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,                             
!      H4'-H5' peak in DQF-COSY)                                                
!                                                                               
assign (segid RA17 and resid 12  and name O5')                                  
       (segid RA17 and resid 12  and name C5')                                  
       (segid RA17 and resid 12  and name C4')                                  
       (segid RA17 and resid 12  and name C3') 30.0 -120.0 120.0 2              
!                                                                               
! A13 (unequal H4'-H5'/5" in 3D 75ms NOESY-CT-HSQC,                             
!      H4'-H5' peak in DQF-COSY)                                                
!                                                                               
assign (segid RA17 and resid 13  and name O5')                                  
       (segid RA17 and resid 13  and name C5')                                  
       (segid RA17 and resid 13  and name C4')                                  
       (segid RA17 and resid 13  and name C3') 30.0 -120.0 120.0 2              
!                                                                               
! C14                                                                           
!                                                                               
assign (segid RA17 and resid 14  and name O5')                                  
       (segid RA17 and resid 14  and name C5')                                  
       (segid RA17 and resid 14  and name C4')                                  
       (segid RA17 and resid 14  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! C15                                                                           
!                                                                               
assign (segid RA17 and resid 15  and name O5')                                  
       (segid RA17 and resid 15  and name C5')                                  
       (segid RA17 and resid 15  and name C4')                                  
       (segid RA17 and resid 15  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! U16                                                                           
!                                                                               
assign (segid RA17 and resid 16  and name O5')                                  
       (segid RA17 and resid 16  and name C5')                                  
       (segid RA17 and resid 16  and name C4')                                  
       (segid RA17 and resid 16  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! A17                                                                           
!                                                                               
assign (segid RA17 and resid 17  and name O5')                                  
       (segid RA17 and resid 17  and name C5')                                  
       (segid RA17 and resid 17  and name C4')                                  
       (segid RA17 and resid 17  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! U18                                                                           
!                                                                               
assign (segid RA17 and resid 18  and name O5')                                  
       (segid RA17 and resid 18  and name C5')                                  
       (segid RA17 and resid 18  and name C4')                                  
       (segid RA17 and resid 18  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! G19                                                                           
!                                                                               
assign (segid RA17 and resid 19  and name O5')                                  
       (segid RA17 and resid 19  and name C5')                                  
       (segid RA17 and resid 19  and name C4')                                  
       (segid RA17 and resid 19  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! C20                                                                           
!                                                                               
assign (segid RA17 and resid 20  and name O5')                                  
       (segid RA17 and resid 20  and name C5')                                  
       (segid RA17 and resid 20  and name C4')                                  
       (segid RA17 and resid 20  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! C21                                                                           
!                                                                               
assign (segid RA17 and resid 21  and name O5')                                  
       (segid RA17 and resid 21  and name C5')                                  
       (segid RA17 and resid 21  and name C4')                                  
       (segid RA17 and resid 21  and name C3') 30.0 60.0 20.0 2                 
!                                                                               
! ****************************************************************************  
!                                                                               
! epsilon                                                                       
!                                                                               
! ****************************************************************************  
!                                                                               
! note: for residues where i couldn't measure the C2'-P coupling, i'm           
!       constraining epsilon based on the 3J(H3'-P) > 5Hz, mainly just          
!       to exclude the gauche+ conformation.                                    
!                                                                               
! G1                                                                            
!                                                                               
assign (segid RA17 and resid  1  and name C4')                                  
       (segid RA17 and resid  1  and name C3')                                  
       (segid RA17 and resid  1  and name O3')                                  
       (segid RA17 and resid  2  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! G2                                                                            
!                                                                               
assign (segid RA17 and resid  2  and name C4')                                  
       (segid RA17 and resid  2  and name C3')                                  
       (segid RA17 and resid  2  and name O3')                                  
       (segid RA17 and resid  3  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! C3 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  3  and name C4')                                  
       (segid RA17 and resid  3  and name C3')                                  
       (segid RA17 and resid  3  and name O3')                                  
       (segid RA17 and resid  4  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! G4 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  4  and name C4')                                  
       (segid RA17 and resid  4  and name C3')                                  
       (segid RA17 and resid  4  and name O3')                                  
       (segid RA17 and resid  5  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! U5 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  5  and name C4')                                  
       (segid RA17 and resid  5  and name C3')                                  
       (segid RA17 and resid  5  and name O3')                                  
       (segid RA17 and resid  6  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! A6 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  6  and name C4')                                  
       (segid RA17 and resid  6  and name C3')                                  
       (segid RA17 and resid  6  and name O3')                                  
       (segid RA17 and resid  7  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! A7 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  7  and name C4')                                  
       (segid RA17 and resid  7  and name C3')                                  
       (segid RA17 and resid  7  and name O3')                                  
       (segid RA17 and resid  8  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! G8                                                                            
!                                                                               
assign (segid RA17 and resid  8  and name C4')                                  
       (segid RA17 and resid  8  and name C3')                                  
       (segid RA17 and resid  8  and name O3')                                  
       (segid RA17 and resid  9  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! G9 (trans)                                                                    
!                                                                               
assign (segid RA17 and resid  9  and name C4')                                  
       (segid RA17 and resid  9  and name C3')                                  
       (segid RA17 and resid  9  and name O3')                                  
       (segid RA17 and resid 10  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! A10 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 10  and name C4')                                  
       (segid RA17 and resid 10  and name C3')                                  
       (segid RA17 and resid 10  and name O3')                                  
       (segid RA17 and resid 11  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! U11 (gauche-)                                                                 
!                                                                               
assign (segid RA17 and resid 11  and name C4')                                  
       (segid RA17 and resid 11  and name C3')                                  
       (segid RA17 and resid 11  and name O3')                                  
       (segid RA17 and resid 12  and name P  ) 30.0 -100.0 25.0 2               
!                                                                               
! U12                                                                           
!                                                                               
assign (segid RA17 and resid 12  and name C4')                                  
       (segid RA17 and resid 12  and name C3')                                  
       (segid RA17 and resid 12  and name O3')                                  
       (segid RA17 and resid 13  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! A13 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 13  and name C4')                                  
       (segid RA17 and resid 13  and name C3')                                  
       (segid RA17 and resid 13  and name O3')                                  
       (segid RA17 and resid 14  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! C14 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 14  and name C4')                                  
       (segid RA17 and resid 14  and name C3')                                  
       (segid RA17 and resid 14  and name O3')                                  
       (segid RA17 and resid 15  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! C15 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 15  and name C4')                                  
       (segid RA17 and resid 15  and name C3')                                  
       (segid RA17 and resid 15  and name O3')                                  
       (segid RA17 and resid 16  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! U16                                                                           
!                                                                               
assign (segid RA17 and resid 16  and name C4')                                  
       (segid RA17 and resid 16  and name C3')                                  
       (segid RA17 and resid 16  and name O3')                                  
       (segid RA17 and resid 17  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! A17                                                                           
!                                                                               
assign (segid RA17 and resid 17  and name C4')                                  
       (segid RA17 and resid 17  and name C3')                                  
       (segid RA17 and resid 17  and name O3')                                  
       (segid RA17 and resid 18  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! U18                                                                           
!                                                                               
assign (segid RA17 and resid 18  and name C4')                                  
       (segid RA17 and resid 18  and name C3')                                  
       (segid RA17 and resid 18  and name O3')                                  
       (segid RA17 and resid 19  and name P  ) 30.0 -120.0 45.0 2               
!                                                                               
! G19 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 19  and name C4')                                  
       (segid RA17 and resid 19  and name C3')                                  
       (segid RA17 and resid 19  and name O3')                                  
       (segid RA17 and resid 20  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! C20 (trans)                                                                   
!                                                                               
assign (segid RA17 and resid 20  and name C4')                                  
       (segid RA17 and resid 20  and name C3')                                  
       (segid RA17 and resid 20  and name O3')                                  
       (segid RA17 and resid 21  and name P  ) 30.0 -145.0 20.0 2               
!                                                                               
! C21 (no constraint: no 3' phosphate in molecular model)                       
!                                                                               
! backbone alpha + zeta constraints for the ra17 hairpin                        
! last updated 11.13.97 by jeff s.                                              
!                                                                               
!                                                                               
!         U11  U12                                                              
!         /     \       the ra17 hairpin!                                       
!       A10     A13                                                             
!         \     /                                                               
!         G9 - C14                                                              
!         G8 - C15                                                              
!       A7                                                                      
!            ? U16                                                              
!       A6                                                                      
!         U5 - A17                                                              
!         G4 - U18                                                              
!         C3 - G19                                                              
!         G2 - C20                                                              
!         G1 - C21                                                              
!       5'        3'                                                            
!                                                                               
!                                                                               
! ****************************************************************************  
!                                                                               
! alpha                                                                         
!                                                                               
! ****************************************************************************  
!                                                                               
! note: since all P31 shifts cluster together, alpha and zeta are being         
!       constrained to within normal a-form values                              
!                                                                               
! G1 (no constraint: no 5' phosphate in molecular model)                        
!                                                                               
!                                                                               
! G2                                                                            
!                                                                               
assign (segid RA17 and resid  1  and name O3')                                  
       (segid RA17 and resid  2  and name P  )                                  
       (segid RA17 and resid  2  and name O5')                                  
       (segid RA17 and resid  2  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! C3                                                                            
!                                                                               
assign (segid RA17 and resid  2  and name O3')                                  
       (segid RA17 and resid  3  and name P  )                                  
       (segid RA17 and resid  3  and name O5')                                  
       (segid RA17 and resid  3  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! G4                                                                            
!                                                                               
assign (segid RA17 and resid  3  and name O3')                                  
       (segid RA17 and resid  4  and name P  )                                  
       (segid RA17 and resid  4  and name O5')                                  
       (segid RA17 and resid  4  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! U5                                                                            
!                                                                               
assign (segid RA17 and resid  4  and name O3')                                  
       (segid RA17 and resid  5  and name P  )                                  
       (segid RA17 and resid  5  and name O5')                                  
       (segid RA17 and resid  5  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! A6                                                                            
!                                                                               
!assign (segid RA17 and resid  5  and name O3')                                 
!       (segid RA17 and resid  6  and name P  )                                 
!       (segid RA17 and resid  6  and name O5')                                 
!       (segid RA17 and resid  6  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! A7                                                                            
!                                                                               
!assign (segid RA17 and resid  6  and name O3')                                 
!       (segid RA17 and resid  7  and name P  )                                 
!       (segid RA17 and resid  7  and name O5')                                 
!       (segid RA17 and resid  7  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! G8                                                                            
!                                                                               
!assign (segid RA17 and resid  7  and name O3')                                 
!       (segid RA17 and resid  8  and name P  )                                 
!       (segid RA17 and resid  8  and name O5')                                 
!       (segid RA17 and resid  8  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! G9                                                                            
!                                                                               
assign (segid RA17 and resid  8  and name O3')                                  
       (segid RA17 and resid  9  and name P  )                                  
       (segid RA17 and resid  9  and name O5')                                  
       (segid RA17 and resid  9  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! A10                                                                           
!                                                                               
!assign (segid RA17 and resid  9  and name O3')                                 
!       (segid RA17 and resid 10  and name P  )                                 
!       (segid RA17 and resid 10  and name O5')                                 
!       (segid RA17 and resid 10  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! U11                                                                           
!                                                                               
!assign (segid RA17 and resid 10  and name O3')                                 
!       (segid RA17 and resid 11  and name P  )                                 
!       (segid RA17 and resid 11  and name O5')                                 
!       (segid RA17 and resid 11  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! U12                                                                           
!                                                                               
!assign (segid RA17 and resid 11  and name O3')                                 
!       (segid RA17 and resid 12  and name P  )                                 
!       (segid RA17 and resid 12  and name O5')                                 
!       (segid RA17 and resid 12  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! A13                                                                           
!                                                                               
!assign (segid RA17 and resid 12  and name O3')                                 
!       (segid RA17 and resid 13  and name P  )                                 
!       (segid RA17 and resid 13  and name O5')                                 
!       (segid RA17 and resid 13  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! C14                                                                           
!                                                                               
!assign (segid RA17 and resid 13  and name O3')                                 
!       (segid RA17 and resid 14  and name P  )                                 
!       (segid RA17 and resid 14  and name O5')                                 
!       (segid RA17 and resid 14  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! C15                                                                           
!                                                                               
assign (segid RA17 and resid 14  and name O3')                                  
       (segid RA17 and resid 15  and name P  )                                  
       (segid RA17 and resid 15  and name O5')                                  
       (segid RA17 and resid 15  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! U16                                                                           
!                                                                               
!assign (segid RA17 and resid 15  and name O3')                                 
!       (segid RA17 and resid 16  and name P  )                                 
!       (segid RA17 and resid 16  and name O5')                                 
!       (segid RA17 and resid 16  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! A17                                                                           
!                                                                               
!assign (segid RA17 and resid 16  and name O3')                                 
!       (segid RA17 and resid 17  and name P  )                                 
!       (segid RA17 and resid 17  and name O5')                                 
!       (segid RA17 and resid 17  and name C5')  30.0  0.0 120.0 2              
!                                                                               
! U18                                                                           
!                                                                               
assign (segid RA17 and resid 17  and name O3')                                  
       (segid RA17 and resid 18  and name P  )                                  
       (segid RA17 and resid 18  and name O5')                                  
       (segid RA17 and resid 18  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! G19                                                                           
!                                                                               
assign (segid RA17 and resid 18  and name O3')                                  
       (segid RA17 and resid 19  and name P  )                                  
       (segid RA17 and resid 19  and name O5')                                  
       (segid RA17 and resid 19  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! C20                                                                           
!                                                                               
assign (segid RA17 and resid 19  and name O3')                                  
       (segid RA17 and resid 20  and name P  )                                  
       (segid RA17 and resid 20  and name O5')                                  
       (segid RA17 and resid 20  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! C21                                                                           
!                                                                               
assign (segid RA17 and resid 20  and name O3')                                  
       (segid RA17 and resid 21  and name P  )                                  
       (segid RA17 and resid 21  and name O5')                                  
       (segid RA17 and resid 21  and name C5')  30.0  0.0 120.0 2               
!                                                                               
! ****************************************************************************  
!                                                                               
! zeta                                                                          
!                                                                               
! ****************************************************************************  
!                                                                               
! note: since all P31 shifts cluster together, alpha and zeta are being         
!       constrained to within normal a-form values                              
!                                                                               
! G1                                                                            
!                                                                               
assign (segid RA17 and resid  1  and name C3')                                  
       (segid RA17 and resid  1  and name O3')                                  
       (segid RA17 and resid  2  and name P  )                                  
       (segid RA17 and resid  2  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! G2                                                                            
!                                                                               
assign (segid RA17 and resid  2  and name C3')                                  
       (segid RA17 and resid  2  and name O3')                                  
       (segid RA17 and resid  3  and name P  )                                  
       (segid RA17 and resid  3  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! C3                                                                            
!                                                                               
assign (segid RA17 and resid  3  and name C3')                                  
       (segid RA17 and resid  3  and name O3')                                  
       (segid RA17 and resid  4  and name P  )                                  
       (segid RA17 and resid  4  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! G4                                                                            
!                                                                               
assign (segid RA17 and resid  4  and name C3')                                  
       (segid RA17 and resid  4  and name O3')                                  
       (segid RA17 and resid  5  and name P  )                                  
       (segid RA17 and resid  5  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! U5                                                                            
!                                                                               
!assign (segid RA17 and resid  5  and name C3')                                 
!       (segid RA17 and resid  5  and name O3')                                 
!       (segid RA17 and resid  6  and name P  )                                 
!       (segid RA17 and resid  6  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! A6                                                                            
!                                                                               
!assign (segid RA17 and resid  6  and name C3')                                 
!       (segid RA17 and resid  6  and name O3')                                 
!       (segid RA17 and resid  7  and name P  )                                 
!       (segid RA17 and resid  7  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! A7                                                                            
!                                                                               
!assign (segid RA17 and resid  7  and name C3')                                 
!       (segid RA17 and resid  7  and name O3')                                 
!       (segid RA17 and resid  8  and name P  )                                 
!       (segid RA17 and resid  8  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! G8                                                                            
!                                                                               
assign (segid RA17 and resid  8  and name C3')                                  
       (segid RA17 and resid  8  and name O3')                                  
       (segid RA17 and resid  9  and name P  )                                  
       (segid RA17 and resid  9  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! G9                                                                            
!                                                                               
!assign (segid RA17 and resid  9  and name C3')                                 
!       (segid RA17 and resid  9  and name O3')                                 
!       (segid RA17 and resid 10  and name P  )                                 
!       (segid RA17 and resid 10  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! A10                                                                           
!                                                                               
!assign (segid RA17 and resid 10  and name C3')                                 
!       (segid RA17 and resid 10  and name O3')                                 
!       (segid RA17 and resid 11  and name P  )                                 
!       (segid RA17 and resid 11  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! U11                                                                           
!                                                                               
!assign (segid RA17 and resid 11  and name C3')                                 
!       (segid RA17 and resid 11  and name O3')                                 
!       (segid RA17 and resid 12  and name P  )                                 
!       (segid RA17 and resid 12  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! U12                                                                           
!                                                                               
!assign (segid RA17 and resid 12  and name C3')                                 
!       (segid RA17 and resid 12  and name O3')                                 
!       (segid RA17 and resid 13  and name P  )                                 
!       (segid RA17 and resid 13  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! A13                                                                           
!                                                                               
!assign (segid RA17 and resid 13  and name C3')                                 
!       (segid RA17 and resid 13  and name O3')                                 
!       (segid RA17 and resid 14  and name P  )                                 
!       (segid RA17 and resid 14  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! C14                                                                           
!                                                                               
assign (segid RA17 and resid 14  and name C3')                                  
       (segid RA17 and resid 14  and name O3')                                  
       (segid RA17 and resid 15  and name P  )                                  
       (segid RA17 and resid 15  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! C15                                                                           
!                                                                               
!assign (segid RA17 and resid 15  and name C3')                                 
!       (segid RA17 and resid 15  and name O3')                                 
!       (segid RA17 and resid 16  and name P  )                                 
!       (segid RA17 and resid 16  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! U16                                                                           
!                                                                               
!assign (segid RA17 and resid 16  and name C3')                                 
!       (segid RA17 and resid 16  and name O3')                                 
!       (segid RA17 and resid 17  and name P  )                                 
!       (segid RA17 and resid 17  and name O5')  30.0  0.0 120.0 2              
!                                                                               
! A17                                                                           
!                                                                               
assign (segid RA17 and resid 17  and name C3')                                  
       (segid RA17 and resid 17  and name O3')                                  
       (segid RA17 and resid 18  and name P  )                                  
       (segid RA17 and resid 18  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! U18                                                                           
!                                                                               
assign (segid RA17 and resid 18  and name C3')                                  
       (segid RA17 and resid 18  and name O3')                                  
       (segid RA17 and resid 19  and name P  )                                  
       (segid RA17 and resid 19  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! G19                                                                           
!                                                                               
assign (segid RA17 and resid 19  and name C3')                                  
       (segid RA17 and resid 19  and name O3')                                  
       (segid RA17 and resid 20  and name P  )                                  
       (segid RA17 and resid 20  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! C20                                                                           
!                                                                               
assign (segid RA17 and resid 20  and name C3')                                  
       (segid RA17 and resid 20  and name O3')                                  
       (segid RA17 and resid 21  and name P  )                                  
       (segid RA17 and resid 21  and name O5')  30.0  0.0 120.0 2               
!                                                                               
! C21 (no constraint: no 3' phosphate in molecular model)                       
!                                                                               
! sugar pucker constraints for the ra17 hairpin                                 
! angles determined from model-built structures                                 
! last updated 10.17.97 by jeff s.                                              
!                                                                               
!                                                                               
!         U11  U12                                                              
!         /     \       the ra17 hairpin!                                       
!       A10     A13                                                             
!         \     /                                                               
!         G9 - C14                                                              
!         G8 - C15                                                              
!       A7                                                                      
!            ? U16                                                              
!       A6                                                                      
!         U5 - A17                                                              
!         G4 - U18                                                              
!         C3 - G19                                                              
!         G2 - C20                                                              
!         G1 - C21                                                              
!       5'        3'                                                            
!                                                                               
!                                                                               
! G1 - intermediate                                                             
!                                                                               
assign (segid RA17 and resid 1  and name O4')                                   
       (segid RA17 and resid 1  and name C4')                                   
       (segid RA17 and resid 1  and name C3')                                   
       (segid RA17 and resid 1  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 1  and name C4')                                   
       (segid RA17 and resid 1  and name C3')                                   
       (segid RA17 and resid 1  and name C2')                                   
       (segid RA17 and resid 1  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 1  and name C3')                                   
       (segid RA17 and resid 1  and name C2')                                   
       (segid RA17 and resid 1  and name C1')                                   
       (segid RA17 and resid 1  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! G2 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 2  and name O4')                                   
       (segid RA17 and resid 2  and name C4')                                   
       (segid RA17 and resid 2  and name C3')                                   
       (segid RA17 and resid 2  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 2  and name C4')                                   
       (segid RA17 and resid 2  and name C3')                                   
       (segid RA17 and resid 2  and name C2')                                   
       (segid RA17 and resid 2  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 2  and name C3')                                   
       (segid RA17 and resid 2  and name C2')                                   
       (segid RA17 and resid 2  and name C1')                                   
       (segid RA17 and resid 2  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! C3 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 3  and name O4')                                   
       (segid RA17 and resid 3  and name C4')                                   
       (segid RA17 and resid 3  and name C3')                                   
       (segid RA17 and resid 3  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 3  and name C4')                                   
       (segid RA17 and resid 3  and name C3')                                   
       (segid RA17 and resid 3  and name C2')                                   
       (segid RA17 and resid 3  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 3  and name C3')                                   
       (segid RA17 and resid 3  and name C2')                                   
       (segid RA17 and resid 3  and name C1')                                   
       (segid RA17 and resid 3  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! G4 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 4  and name O4')                                   
       (segid RA17 and resid 4  and name C4')                                   
       (segid RA17 and resid 4  and name C3')                                   
       (segid RA17 and resid 4  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 4  and name C4')                                   
       (segid RA17 and resid 4  and name C3')                                   
       (segid RA17 and resid 4  and name C2')                                   
       (segid RA17 and resid 4  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 4  and name C3')                                   
       (segid RA17 and resid 4  and name C2')                                   
       (segid RA17 and resid 4  and name C1')                                   
       (segid RA17 and resid 4  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! U5 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 5  and name O4')                                   
       (segid RA17 and resid 5  and name C4')                                   
       (segid RA17 and resid 5  and name C3')                                   
       (segid RA17 and resid 5  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 5  and name C4')                                   
       (segid RA17 and resid 5  and name C3')                                   
       (segid RA17 and resid 5  and name C2')                                   
       (segid RA17 and resid 5  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 5  and name C3')                                   
       (segid RA17 and resid 5  and name C2')                                   
       (segid RA17 and resid 5  and name C1')                                   
       (segid RA17 and resid 5  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! A6 - unsure/intermediate                                                      
!                                                                               
!assign (segid RA17 and resid 6  and name O4')                                  
!       (segid RA17 and resid 6  and name C4')                                  
!       (segid RA17 and resid 6  and name C3')                                  
!       (segid RA17 and resid 6  and name C2') 30.0 -36.1  3.0 2                
!assign (segid RA17 and resid 6  and name C4')                                  
!       (segid RA17 and resid 6  and name C3')                                  
!       (segid RA17 and resid 6  and name C2')                                  
!       (segid RA17 and resid 6  and name C1') 30.0  37.3  3.0 2                
!assign (segid RA17 and resid 6  and name C3')                                  
!       (segid RA17 and resid 6  and name C2')                                  
!       (segid RA17 and resid 6  and name C1')                                  
!       (segid RA17 and resid 6  and name O4') 30.0 -25.8  3.0 2                
!                                                                               
! A7 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 7  and name O4')                                   
       (segid RA17 and resid 7  and name C4')                                   
       (segid RA17 and resid 7  and name C3')                                   
       (segid RA17 and resid 7  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 7  and name C4')                                   
       (segid RA17 and resid 7  and name C3')                                   
       (segid RA17 and resid 7  and name C2')                                   
       (segid RA17 and resid 7  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 7  and name C3')                                   
       (segid RA17 and resid 7  and name C2')                                   
       (segid RA17 and resid 7  and name C1')                                   
       (segid RA17 and resid 7  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! G8 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 8  and name O4')                                   
       (segid RA17 and resid 8  and name C4')                                   
       (segid RA17 and resid 8  and name C3')                                   
       (segid RA17 and resid 8  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 8  and name C4')                                   
       (segid RA17 and resid 8  and name C3')                                   
       (segid RA17 and resid 8  and name C2')                                   
       (segid RA17 and resid 8  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 8  and name C3')                                   
       (segid RA17 and resid 8  and name C2')                                   
       (segid RA17 and resid 8  and name C1')                                   
       (segid RA17 and resid 8  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! G9 - 3' endo                                                                  
!                                                                               
assign (segid RA17 and resid 9  and name O4')                                   
       (segid RA17 and resid 9  and name C4')                                   
       (segid RA17 and resid 9  and name C3')                                   
       (segid RA17 and resid 9  and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 9  and name C4')                                   
       (segid RA17 and resid 9  and name C3')                                   
       (segid RA17 and resid 9  and name C2')                                   
       (segid RA17 and resid 9  and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 9  and name C3')                                   
       (segid RA17 and resid 9  and name C2')                                   
       (segid RA17 and resid 9  and name C1')                                   
       (segid RA17 and resid 9  and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! A10 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 10 and name O4')                                   
       (segid RA17 and resid 10 and name C4')                                   
       (segid RA17 and resid 10 and name C3')                                   
       (segid RA17 and resid 10 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 10 and name C4')                                   
       (segid RA17 and resid 10 and name C3')                                   
       (segid RA17 and resid 10 and name C2')                                   
       (segid RA17 and resid 10 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 10 and name C3')                                   
       (segid RA17 and resid 10 and name C2')                                   
       (segid RA17 and resid 10 and name C1')                                   
       (segid RA17 and resid 10 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! U11 - 2' endo                                                                 
!                                                                               
assign (segid RA17 and resid 11 and name O4')                                   
       (segid RA17 and resid 11 and name C4')                                   
       (segid RA17 and resid 11 and name C3')                                   
       (segid RA17 and resid 11 and name C2') 30.0  33.3  3.0 2                 
assign (segid RA17 and resid 11 and name C4')                                   
       (segid RA17 and resid 11 and name C3')                                   
       (segid RA17 and resid 11 and name C2')                                   
       (segid RA17 and resid 11 and name C1') 30.0 -34.9  3.0 2                 
assign (segid RA17 and resid 11 and name C3')                                   
       (segid RA17 and resid 11 and name C2')                                   
       (segid RA17 and resid 11 and name C1')                                   
       (segid RA17 and resid 11 and name O4') 30.0  24.9  3.0 2                 
!                                                                               
! U12 - 2' endo                                                                 
!                                                                               
assign (segid RA17 and resid 12 and name O4')                                   
       (segid RA17 and resid 12 and name C4')                                   
       (segid RA17 and resid 12 and name C3')                                   
       (segid RA17 and resid 12 and name C2') 30.0  33.3  3.0 2                 
assign (segid RA17 and resid 12 and name C4')                                   
       (segid RA17 and resid 12 and name C3')                                   
       (segid RA17 and resid 12 and name C2')                                   
       (segid RA17 and resid 12 and name C1') 30.0 -34.9  3.0 2                 
assign (segid RA17 and resid 12 and name C3')                                   
       (segid RA17 and resid 12 and name C2')                                   
       (segid RA17 and resid 12 and name C1')                                   
       (segid RA17 and resid 12 and name O4') 30.0  24.9  3.0 2                 
!                                                                               
! A13 - 2' endo                                                                 
!                                                                               
assign (segid RA17 and resid 13 and name O4')                                   
       (segid RA17 and resid 13 and name C4')                                   
       (segid RA17 and resid 13 and name C3')                                   
       (segid RA17 and resid 13 and name C2') 30.0  33.3  3.0 2                 
assign (segid RA17 and resid 13 and name C4')                                   
       (segid RA17 and resid 13 and name C3')                                   
       (segid RA17 and resid 13 and name C2')                                   
       (segid RA17 and resid 13 and name C1') 30.0 -34.9  3.0 2                 
assign (segid RA17 and resid 13 and name C3')                                   
       (segid RA17 and resid 13 and name C2')                                   
       (segid RA17 and resid 13 and name C1')                                   
       (segid RA17 and resid 13 and name O4') 30.0  24.9  3.0 2                 
!                                                                               
! C14 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 14 and name O4')                                   
       (segid RA17 and resid 14 and name C4')                                   
       (segid RA17 and resid 14 and name C3')                                   
       (segid RA17 and resid 14 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 14 and name C4')                                   
       (segid RA17 and resid 14 and name C3')                                   
       (segid RA17 and resid 14 and name C2')                                   
       (segid RA17 and resid 14 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 14 and name C3')                                   
       (segid RA17 and resid 14 and name C2')                                   
       (segid RA17 and resid 14 and name C1')                                   
       (segid RA17 and resid 14 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! C15 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 15 and name O4')                                   
       (segid RA17 and resid 15 and name C4')                                   
       (segid RA17 and resid 15 and name C3')                                   
       (segid RA17 and resid 15 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 15 and name C4')                                   
       (segid RA17 and resid 15 and name C3')                                   
       (segid RA17 and resid 15 and name C2')                                   
       (segid RA17 and resid 15 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 15 and name C3')                                   
       (segid RA17 and resid 15 and name C2')                                   
       (segid RA17 and resid 15 and name C1')                                   
       (segid RA17 and resid 15 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! U16 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 16 and name O4')                                   
       (segid RA17 and resid 16 and name C4')                                   
       (segid RA17 and resid 16 and name C3')                                   
       (segid RA17 and resid 16 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 16 and name C4')                                   
       (segid RA17 and resid 16 and name C3')                                   
       (segid RA17 and resid 16 and name C2')                                   
       (segid RA17 and resid 16 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 16 and name C3')                                   
       (segid RA17 and resid 16 and name C2')                                   
       (segid RA17 and resid 16 and name C1')                                   
       (segid RA17 and resid 16 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! A17 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 17 and name O4')                                   
       (segid RA17 and resid 17 and name C4')                                   
       (segid RA17 and resid 17 and name C3')                                   
       (segid RA17 and resid 17 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 17 and name C4')                                   
       (segid RA17 and resid 17 and name C3')                                   
       (segid RA17 and resid 17 and name C2')                                   
       (segid RA17 and resid 17 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 17 and name C3')                                   
       (segid RA17 and resid 17 and name C2')                                   
       (segid RA17 and resid 17 and name C1')                                   
       (segid RA17 and resid 17 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! U18 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 18 and name O4')                                   
       (segid RA17 and resid 18 and name C4')                                   
       (segid RA17 and resid 18 and name C3')                                   
       (segid RA17 and resid 18 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 18 and name C4')                                   
       (segid RA17 and resid 18 and name C3')                                   
       (segid RA17 and resid 18 and name C2')                                   
       (segid RA17 and resid 18 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 18 and name C3')                                   
       (segid RA17 and resid 18 and name C2')                                   
       (segid RA17 and resid 18 and name C1')                                   
       (segid RA17 and resid 18 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! G19 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 19 and name O4')                                   
       (segid RA17 and resid 19 and name C4')                                   
       (segid RA17 and resid 19 and name C3')                                   
       (segid RA17 and resid 19 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 19 and name C4')                                   
       (segid RA17 and resid 19 and name C3')                                   
       (segid RA17 and resid 19 and name C2')                                   
       (segid RA17 and resid 19 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 19 and name C3')                                   
       (segid RA17 and resid 19 and name C2')                                   
       (segid RA17 and resid 19 and name C1')                                   
       (segid RA17 and resid 19 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! C20 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 20 and name O4')                                   
       (segid RA17 and resid 20 and name C4')                                   
       (segid RA17 and resid 20 and name C3')                                   
       (segid RA17 and resid 20 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 20 and name C4')                                   
       (segid RA17 and resid 20 and name C3')                                   
       (segid RA17 and resid 20 and name C2')                                   
       (segid RA17 and resid 20 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 20 and name C3')                                   
       (segid RA17 and resid 20 and name C2')                                   
       (segid RA17 and resid 20 and name C1')                                   
       (segid RA17 and resid 20 and name O4') 30.0 -25.8  3.0 2                 
!                                                                               
! C21 - 3' endo                                                                 
!                                                                               
assign (segid RA17 and resid 21 and name O4')                                   
       (segid RA17 and resid 21 and name C4')                                   
       (segid RA17 and resid 21 and name C3')                                   
       (segid RA17 and resid 21 and name C2') 30.0 -36.1  3.0 2                 
assign (segid RA17 and resid 21 and name C4')                                   
       (segid RA17 and resid 21 and name C3')                                   
       (segid RA17 and resid 21 and name C2')                                   
       (segid RA17 and resid 21 and name C1') 30.0  37.3  3.0 2                 
assign (segid RA17 and resid 21 and name C3')                                   
       (segid RA17 and resid 21 and name C2')                                   
       (segid RA17 and resid 21 and name C1')                                   
       (segid RA17 and resid 21 and name O4') 30.0 -25.8  3.0 2                 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  36.434  -5.308  -7.345
    2   2H5*    G   1          2H5*        G   1  37.533  -5.043  -8.723
    3    H4*    G   1           H4*        G   1  36.243  -6.549 -10.082
    4    H3*    G   1           H3*        G   1  34.089  -6.173  -7.960
    5   1H2*    G   1          1H2*        G   1  33.294  -8.345  -8.391
    6   2HO*    G   1          2HO*        G   1  33.856  -9.506 -10.242
    7    H1*    G   1           H1*        G   1  35.757  -9.572  -8.727
    8    H8     G   1           H8         G   1  35.670  -7.179  -5.754
    9    H1     G   1           H1         G   1  33.342 -12.958  -4.361
   10   1H2     G   1          1H2         G   1  33.541 -13.530  -7.800
   11   2H2     G   1          2H2         G   1  33.116 -14.156  -6.224
   12    H5T    G   1           H5T        G   1  35.846  -3.936  -9.762
   13   1H5*    G   2          1H5*        G   2  31.908  -7.466 -11.801
   14   2H5*    G   2          2H5*        G   2  30.337  -6.621 -11.752
   15    H4*    G   2           H4*        G   2  30.320  -9.189 -12.015
   16    H3*    G   2           H3*        G   2  28.882  -7.791  -9.713
   17   1H2*    G   2          1H2*        G   2  28.016  -9.880  -9.045
   18   2HO*    G   2          2HO*        G   2  27.375 -10.684 -11.057
   19    H1*    G   2           H1*        G   2  30.322 -11.357  -9.525
   20    H8     G   2           H8         G   2  31.045  -8.046  -7.786
   21    H1     G   2           H1         G   2  29.191 -12.607  -3.725
   22   1H2     G   2          1H2         G   2  28.437 -14.436  -6.605
   23   2H2     G   2          2H2         G   2  28.464 -14.382  -4.857
   24   1H5*    C   3          1H5*        C   3  24.807  -9.110 -12.148
   25   2H5*    C   3          2H5*        C   3  23.856  -7.730 -11.565
   26    H4*    C   3           H4*        C   3  23.038 -10.170 -11.027
   27    H3*    C   3           H3*        C   3  23.265  -7.915  -8.975
   28   1H2*    C   3          1H2*        C   3  22.294  -9.367  -7.384
   29   2HO*    C   3          2HO*        C   3  20.613 -10.251  -8.558
   30    H1*    C   3           H1*        C   3  23.644 -11.663  -8.184
   31   1H4     C   3          1H4         C   3  27.559  -8.301  -3.985
   32   2H4     C   3          2H4         C   3  26.757  -9.525  -3.028
   33    H5     C   3           H5         C   3  27.069  -7.917  -6.317
   34    H6     C   3           H6         C   3  25.706  -8.619  -8.224
   35   1H5*    G   4          1H5*        G   4  18.796  -9.055  -9.296
   36   2H5*    G   4          2H5*        G   4  17.821  -7.658  -8.769
   37    H4*    G   4           H4*        G   4  17.590 -10.000  -7.571
   38    H3*    G   4           H3*        G   4  17.968  -7.333  -6.126
   39   1H2*    G   4          1H2*        G   4  17.734  -8.483  -4.076
   40   2HO*    G   4          2HO*        G   4  16.922 -10.590  -3.948
   41    H1*    G   4           H1*        G   4  19.178 -10.735  -4.796
   42    H8     G   4           H8         G   4  20.986  -7.595  -5.904
   43    H1     G   4           H1         G   4  21.814  -8.859   0.298
   44   1H2     G   4          1H2         G   4  20.432 -10.478   0.935
   45   2H2     G   4          2H2         G   4  19.309 -11.239  -0.169
   46   1H5*    U   5          1H5*        U   5  13.620  -8.166  -3.803
   47   2H5*    U   5          2H5*        U   5  13.248  -6.464  -4.143
   48    H4*    U   5           H4*        U   5  13.372  -7.270  -1.643
   49    H3*    U   5           H3*        U   5  14.723  -4.785  -2.783
   50   1H2*    U   5          1H2*        U   5  15.521  -4.251  -0.634
   51   2HO*    U   5          2HO*        U   5  14.701  -5.187   1.242
   52    H1*    U   5           H1*        U   5  16.136  -6.836   0.175
   53    H3     U   5           H3         U   5  20.051  -4.441  -0.096
   54    H5     U   5           H5         U   5  19.246  -5.709  -4.036
   55    H6     U   5           H6         U   5  17.062  -6.432  -3.288
   56   1H5*    A   6          1H5*        A   6  12.119  -3.812   0.856
   57   2H5*    A   6          2H5*        A   6  11.489  -2.162   0.668
   58    H4*    A   6           H4*        A   6  12.776  -2.729   2.856
   59    H3*    A   6           H3*        A   6  13.099  -0.339   1.074
   60   1H2*    A   6          1H2*        A   6  15.172   0.211   1.787
   61   2HO*    A   6          2HO*        A   6  14.285  -0.534   4.397
   62    H1*    A   6           H1*        A   6  15.694  -2.126   3.485
   63    H8     A   6           H8         A   6  16.123  -1.811  -0.335
   64   1H6     A   6          1H6         A   6  22.132  -1.008   0.774
   65   2H6     A   6          2H6         A   6  20.918  -1.210  -0.469
   66    H2     A   6           H2         A   6  19.993  -1.143   4.724
   67   1H5*    A   7          1H5*        A   7  12.996   3.918   3.924
   68   2H5*    A   7          2H5*        A   7  13.959   3.027   2.725
   69    H4*    A   7           H4*        A   7  14.622   3.171   5.705
   70    H3*    A   7           H3*        A   7  15.604   4.774   3.305
   71   1H2*    A   7          1H2*        A   7  17.771   4.801   4.215
   72   2HO*    A   7          2HO*        A   7  16.670   3.797   6.655
   73    H1*    A   7           H1*        A   7  17.791   2.203   5.185
   74    H8     A   7           H8         A   7  16.301   2.551   1.679
   75   1H6     A   7          1H6         A   7  22.024   2.006  -0.527
   76   2H6     A   7          2H6         A   7  20.327   2.100  -0.943
   77    H2     A   7           H2         A   7  22.293   2.303   3.948
   78   1H5*    G   8          1H5*        G   8  16.430   7.661   7.074
   79   2H5*    G   8          2H5*        G   8  16.653   9.244   6.283
   80    H4*    G   8           H4*        G   8  18.576   8.179   7.746
   81    H3*    G   8           H3*        G   8  18.960   9.308   4.933
   82   1H2*    G   8          1H2*        G   8  21.274   8.913   5.164
   83   2HO*    G   8          2HO*        G   8  22.250   8.489   7.145
   84    H1*    G   8           H1*        G   8  21.060   6.464   6.449
   85    H8     G   8           H8         G   8  18.671   6.869   3.491
   86    H1     G   8           H1         G   8  24.528   5.030   1.739
   87   1H2     G   8          1H2         G   8  25.377   5.646   5.072
   88   2H2     G   8          2H2         G   8  25.906   5.124   3.488
   89   1H5*    G   9          1H5*        G   9  21.816  11.626   7.453
   90   2H5*    G   9          2H5*        G   9  22.106  13.208   6.687
   91    H4*    G   9           H4*        G   9  24.079  11.487   7.029
   92    H3*    G   9           H3*        G   9  23.471  12.891   4.392
   93   1H2*    G   9          1H2*        G   9  25.472  11.929   3.543
   94   2HO*    G   9          2HO*        G   9  26.061  10.888   6.129
   95    H1*    G   9           H1*        G   9  25.050   9.416   4.600
   96    H8     G   9           H8         G   9  21.675  10.422   3.420
   97    H1     G   9           H1         G   9  25.505   9.184  -1.532
   98   1H2     G   9          1H2         G   9  28.075   9.277   0.832
   99   2H2     G   9          2H2         G   9  27.620   9.060  -0.844
  100   1H5*    A  10          1H5*        A  10  27.271  15.137   5.101
  101   2H5*    A  10          2H5*        A  10  27.130  16.630   4.154
  102    H4*    A  10           H4*        A  10  28.728  14.715   3.315
  103    H3*    A  10           H3*        A  10  26.687  16.215   1.611
  104   1H2*    A  10          1H2*        A  10  27.356  14.965  -0.242
  105   2HO*    A  10          2HO*        A  10  29.611  14.051   1.250
  106    H1*    A  10           H1*        A  10  27.712  12.533   0.999
  107    H8     A  10           H8         A  10  24.467  13.253   2.288
  108   1H6     A  10          1H6         A  10  21.957  13.072  -3.339
  109   2H6     A  10          2H6         A  10  21.624  13.026  -1.622
  110    H2     A  10           H2         A  10  26.420  13.467  -3.792
  111   1H5*    U  11          1H5*        U  11  28.260  15.848  -1.848
  112   2H5*    U  11          2H5*        U  11  29.459  17.145  -1.780
  113    H4*    U  11           H4*        U  11  28.499  17.279  -3.968
  114    H3*    U  11           H3*        U  11  28.293  19.482  -2.333
  115   1H2*    U  11          1H2*        U  11  26.115  19.093  -1.518
  116   2HO*    U  11          2HO*        U  11  25.589  20.443  -3.989
  117    H1*    U  11           H1*        U  11  25.169  18.324  -4.292
  118    H3     U  11           H3         U  11  21.111  17.104  -2.827
  119    H5     U  11           H5         U  11  23.559  16.227   0.491
  120    H6     U  11           H6         U  11  25.464  17.021  -0.780
  121   1H5*    U  12          1H5*        U  12  29.833  17.528  -5.743
  122   2H5*    U  12          2H5*        U  12  30.462  18.191  -7.254
  123    H4*    U  12           H4*        U  12  28.507  16.133  -6.892
  124    H3*    U  12           H3*        U  12  30.355  16.846  -8.759
  125   1H2*    U  12          1H2*        U  12  29.243  18.624  -9.718
  126   2HO*    U  12          2HO*        U  12  28.308  17.983 -11.641
  127    H1*    U  12           H1*        U  12  26.532  17.378  -9.652
  128    H3     U  12           H3         U  12  25.452  21.448 -11.422
  129    H5     U  12           H5         U  12  27.041  22.348  -7.621
  130    H6     U  12           H6         U  12  27.668  20.016  -7.400
  131   1H5*    A  13          1H5*        A  13  31.198  11.713 -10.511
  132   2H5*    A  13          2H5*        A  13  29.625  12.287 -11.095
  133    H4*    A  13           H4*        A  13  30.393  11.224  -8.384
  134    H3*    A  13           H3*        A  13  28.839  10.174 -10.382
  135   1H2*    A  13          1H2*        A  13  27.187  11.875 -10.443
  136   2HO*    A  13          2HO*        A  13  26.029   9.977  -9.998
  137    H1*    A  13           H1*        A  13  27.154  11.948  -7.421
  138    H8     A  13           H8         A  13  26.726  13.980 -10.681
  139   1H6     A  13          1H6         A  13  23.582  17.942  -7.171
  140   2H6     A  13          2H6         A  13  23.957  17.476  -8.815
  141    H2     A  13           H2         A  13  25.718  15.025  -4.491
  142   1H5*    C  14          1H5*        C  14  31.274   8.490  -8.090
  143   2H5*    C  14          2H5*        C  14  31.522   6.955  -7.247
  144    H4*    C  14           H4*        C  14  32.234   8.923  -5.879
  145    H3*    C  14           H3*        C  14  29.919   7.188  -4.929
  146   1H2*    C  14          1H2*        C  14  29.758   8.477  -2.969
  147   2HO*    C  14          2HO*        C  14  31.394   9.875  -2.291
  148    H1*    C  14           H1*        C  14  30.211  10.959  -4.133
  149   1H4     C  14          1H4         C  14  23.788   9.774  -5.140
  150   2H4     C  14          2H4         C  14  23.870  10.216  -3.449
  151    H5     C  14           H5         C  14  25.761   9.508  -6.542
  152    H6     C  14           H6         C  14  28.212   9.392  -6.529
  153   1H5*    C  15          1H5*        C  15  32.980   6.647  -1.757
  154   2H5*    C  15          2H5*        C  15  33.149   4.923  -1.368
  155    H4*    C  15           H4*        C  15  32.651   6.426   0.625
  156    H3*    C  15           H3*        C  15  30.788   4.145  -0.162
  157   1H2*    C  15          1H2*        C  15  29.443   4.608   1.705
  158   2HO*    C  15          2HO*        C  15  30.135   5.881   3.429
  159    H1*    C  15           H1*        C  15  29.590   7.384   1.583
  160   1H4     C  15          1H4         C  15  24.787   5.570  -2.619
  161   2H4     C  15          2H4         C  15  24.052   5.375  -1.044
  162    H5     C  15           H5         C  15  27.120   6.093  -2.932
  163    H6     C  15           H6         C  15  29.245   6.553  -1.807
  164   1H5*    U  16          1H5*        U  16  31.156   2.996   3.868
  165   2H5*    U  16          2H5*        U  16  31.268   1.225   3.908
  166    H4*    U  16           H4*        U  16  29.167   2.371   4.969
  167    H3*    U  16           H3*        U  16  29.068   0.058   2.979
  168   1H2*    U  16          1H2*        U  16  26.719   0.003   3.226
  169   2HO*    U  16          2HO*        U  16  25.648   1.034   4.917
  170    H1*    U  16           H1*        U  16  26.326   2.752   3.326
  171    H3     U  16           H3         U  16  24.300   1.173  -0.483
  172    H5     U  16           H5         U  16  28.385   1.485  -1.479
  173    H6     U  16           H6         U  16  28.857   1.950   0.851
  174   1H5*    A  17          1H5*        A  17  27.226  -0.832   7.205
  175   2H5*    A  17          2H5*        A  17  27.766  -2.471   7.625
  176    H4*    A  17           H4*        A  17  25.363  -2.005   8.231
  177    H3*    A  17           H3*        A  17  26.048  -4.193   6.248
  178   1H2*    A  17          1H2*        A  17  23.755  -4.760   6.138
  179   2HO*    A  17          2HO*        A  17  22.244  -4.013   7.635
  180    H1*    A  17           H1*        A  17  22.748  -2.193   6.109
  181    H8     A  17           H8         A  17  25.758  -2.205   3.865
  182   1H6     A  17          1H6         A  17  22.300  -4.715  -0.565
  183   2H6     A  17          2H6         A  17  23.839  -3.974  -0.191
  184    H2     A  17           H2         A  17  19.938  -4.827   3.262
  185   1H5*    U  18          1H5*        U  18  23.874  -6.478   8.815
  186   2H5*    U  18          2H5*        U  18  24.540  -8.119   8.955
  187    H4*    U  18           H4*        U  18  22.300  -7.993   7.774
  188    H3*    U  18           H3*        U  18  24.765  -9.062   6.325
  189   1H2*    U  18          1H2*        U  18  23.413  -9.576   4.470
  190   2HO*    U  18          2HO*        U  18  21.670 -10.555   5.471
  191    H1*    U  18           H1*        U  18  21.807  -7.309   4.574
  192    H3     U  18           H3         U  18  24.291  -7.293   0.681
  193    H5     U  18           H5         U  18  26.810  -5.631   3.629
  194    H6     U  18           H6         U  18  25.173  -6.258   5.304
  195   1H5*    G  19          1H5*        G  19  22.311 -13.546   6.644
  196   2H5*    G  19          2H5*        G  19  23.894 -14.363   6.569
  197    H4*    G  19           H4*        G  19  21.997 -14.916   4.812
  198    H3*    G  19           H3*        G  19  24.887 -14.248   4.076
  199   1H2*    G  19          1H2*        G  19  24.350 -14.760   1.833
  200   2HO*    G  19          2HO*        G  19  22.486 -15.860   1.246
  201    H1*    G  19           H1*        G  19  21.854 -13.544   1.842
  202    H8     G  19           H8         G  19  24.490 -11.435   3.595
  203    H1     G  19           H1         G  19  24.716 -10.852  -2.751
  204   1H2     G  19          1H2         G  19  22.456 -13.510  -2.777
  205   2H2     G  19          2H2         G  19  23.392 -12.361  -3.708
  206   1H5*    C  20          1H5*        C  20  24.256 -18.244   2.124
  207   2H5*    C  20          2H5*        C  20  25.771 -19.130   2.387
  208    H4*    C  20           H4*        C  20  25.056 -18.999  -0.034
  209    H3*    C  20           H3*        C  20  27.698 -17.695   0.796
  210   1H2*    C  20          1H2*        C  20  28.114 -17.367  -1.514
  211   2HO*    C  20          2HO*        C  20  25.840 -18.999  -2.091
  212    H1*    C  20           H1*        C  20  25.508 -16.645  -2.175
  213   1H4     C  20          1H4         C  20  28.640 -11.200  -0.004
  214   2H4     C  20          2H4         C  20  28.858 -11.212  -1.738
  215    H5     C  20           H5         C  20  27.584 -13.002   1.207
  216    H6     C  20           H6         C  20  26.515 -15.194   1.013
  217   1H5*    C  21          1H5*        C  21  28.504 -20.970  -2.214
  218   2H5*    C  21          2H5*        C  21  30.143 -21.610  -1.978
  219    H4*    C  21           H4*        C  21  29.485 -20.610  -4.318
  220    H3*    C  21           H3*        C  21  32.032 -19.932  -2.770
  221   1H2*    C  21          1H2*        C  21  32.733 -18.626  -4.605
  222   2HO*    C  21          2HO*        C  21  31.753 -18.767  -6.642
  223    H1*    C  21           H1*        C  21  30.237 -17.545  -5.205
  224   1H4     C  21          1H4         C  21  32.994 -13.798  -0.455
  225   2H4     C  21          2H4         C  21  33.376 -13.013  -1.971
  226    H5     C  21           H5         C  21  31.869 -15.929  -0.318
  227    H6     C  21           H6         C  21  30.873 -17.760  -1.601
  228    H3T    C  21           H3T        C  21  32.875 -21.422  -4.267
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  35.579 -10.837 -11.606
    2   2H5*    G   1          2H5*        G   1  35.887 -11.650 -10.048
    3    H4*    G   1           H4*        G   1  34.492 -12.838 -12.516
    4    H3*    G   1           H3*        G   1  33.455 -11.650  -9.907
    5   1H2*    G   1          1H2*        G   1  31.730 -13.248  -9.869
    6   2HO*    G   1          2HO*        G   1  30.920 -14.147 -11.638
    7    H1*    G   1           H1*        G   1  33.214 -15.405 -10.780
    8    H8     G   1           H8         G   1  35.160 -13.430  -8.191
    9    H1     G   1           H1         G   1  30.887 -17.371  -5.548
   10   1H2     G   1          1H2         G   1  29.705 -17.775  -8.809
   11   2H2     G   1          2H2         G   1  29.543 -18.197  -7.120
   12    H5T    G   1           H5T        G   1  36.972 -12.266 -12.601
   13   1H5*    G   2          1H5*        G   2  29.996 -11.836 -12.961
   14   2H5*    G   2          2H5*        G   2  29.003 -10.384 -12.662
   15    H4*    G   2           H4*        G   2  27.820 -12.686 -12.731
   16    H3*    G   2           H3*        G   2  27.622 -10.811 -10.332
   17   1H2*    G   2          1H2*        G   2  26.097 -12.302  -9.333
   18   2HO*    G   2          2HO*        G   2  25.111 -13.992 -10.501
   19    H1*    G   2           H1*        G   2  27.375 -14.649 -10.099
   20    H8     G   2           H8         G   2  29.908 -12.132  -8.849
   21    H1     G   2           H1         G   2  26.879 -15.079  -4.068
   22   1H2     G   2          1H2         G   2  24.757 -16.290  -6.562
   23   2H2     G   2          2H2         G   2  25.155 -16.243  -4.859
   24   1H5*    C   3          1H5*        C   3  23.270 -10.847 -11.985
   25   2H5*    C   3          2H5*        C   3  22.547  -9.319 -11.442
   26    H4*    C   3           H4*        C   3  21.509 -11.590 -10.621
   27    H3*    C   3           H3*        C   3  22.202  -9.229  -8.810
   28   1H2*    C   3          1H2*        C   3  21.254 -10.421  -7.007
   29   2HO*    C   3          2HO*        C   3  20.243 -12.346  -8.859
   30    H1*    C   3           H1*        C   3  22.232 -12.925  -7.721
   31   1H4     C   3          1H4         C   3  26.918  -9.750  -4.223
   32   2H4     C   3          2H4         C   3  26.078 -10.784  -3.088
   33    H5     C   3           H5         C   3  26.246  -9.501  -6.530
   34    H6     C   3           H6         C   3  24.625 -10.180  -8.233
   35   1H5*    G   4          1H5*        G   4  17.777 -10.167  -8.510
   36   2H5*    G   4          2H5*        G   4  16.864  -8.717  -8.020
   37    H4*    G   4           H4*        G   4  16.737 -10.941  -6.601
   38    H3*    G   4           H3*        G   4  17.262  -8.163  -5.442
   39   1H2*    G   4          1H2*        G   4  17.216  -9.122  -3.284
   40   2HO*    G   4          2HO*        G   4  16.390 -11.175  -2.881
   41    H1*    G   4           H1*        G   4  18.578 -11.447  -3.932
   42    H8     G   4           H8         G   4  20.294  -8.449  -5.485
   43    H1     G   4           H1         G   4  21.718  -9.178   0.693
   44   1H2     G   4          1H2         G   4  20.379 -10.694   1.610
   45   2H2     G   4          2H2         G   4  19.138 -11.524   0.697
   46   1H5*    U   5          1H5*        U   5  13.616  -9.031  -2.684
   47   2H5*    U   5          2H5*        U   5  12.744  -7.527  -3.047
   48    H4*    U   5           H4*        U   5  13.212  -7.875  -0.585
   49    H3*    U   5           H3*        U   5  14.368  -5.472  -2.063
   50   1H2*    U   5          1H2*        U   5  15.277  -4.682  -0.042
   51   2HO*    U   5          2HO*        U   5  13.710  -6.639   1.331
   52    H1*    U   5           H1*        U   5  16.058  -7.137   0.990
   53    H3     U   5           H3         U   5  19.849  -4.657   0.218
   54    H5     U   5           H5         U   5  18.863  -6.384  -3.502
   55    H6     U   5           H6         U   5  16.755  -7.083  -2.546
   56   1H5*    A   6          1H5*        A   6  12.007  -4.181   1.637
   57   2H5*    A   6          2H5*        A   6  11.265  -2.607   1.283
   58    H4*    A   6           H4*        A   6  12.697  -2.734   3.414
   59    H3*    A   6           H3*        A   6  12.998  -0.710   1.203
   60   1H2*    A   6          1H2*        A   6  15.020   0.055   1.901
   61   2HO*    A   6          2HO*        A   6  14.170  -0.543   4.561
   62    H1*    A   6           H1*        A   6  15.744  -2.083   3.716
   63    H8     A   6           H8         A   6  15.636  -2.206  -0.137
   64   1H6     A   6          1H6         A   6  21.723  -1.274   0.023
   65   2H6     A   6          2H6         A   6  20.351  -1.610  -1.008
   66    H2     A   6           H2         A   6  20.162  -1.003   4.230
   67   1H5*    A   7          1H5*        A   7  13.083   3.955   3.226
   68   2H5*    A   7          2H5*        A   7  13.992   2.762   2.272
   69    H4*    A   7           H4*        A   7  14.597   3.291   5.212
   70    H3*    A   7           H3*        A   7  15.635   4.706   2.717
   71   1H2*    A   7          1H2*        A   7  17.782   4.792   3.676
   72   2HO*    A   7          2HO*        A   7  16.609   3.987   6.157
   73    H1*    A   7           H1*        A   7  17.756   2.278   4.851
   74    H8     A   7           H8         A   7  16.387   2.290   1.287
   75   1H6     A   7          1H6         A   7  22.196   1.643  -0.663
   76   2H6     A   7          2H6         A   7  20.513   1.657  -1.143
   77    H2     A   7           H2         A   7  22.299   2.386   3.768
   78   1H5*    G   8          1H5*        G   8  16.184   7.101   6.745
   79   2H5*    G   8          2H5*        G   8  16.503   8.818   6.385
   80    H4*    G   8           H4*        G   8  18.138   7.432   7.928
   81    H3*    G   8           H3*        G   8  18.991   9.190   5.586
   82   1H2*    G   8          1H2*        G   8  21.242   8.710   6.074
   83   2HO*    G   8          2HO*        G   8  20.386   7.545   8.538
   84    H1*    G   8           H1*        G   8  20.907   6.036   6.721
   85    H8     G   8           H8         G   8  18.973   7.005   3.590
   86    H1     G   8           H1         G   8  25.150   5.891   2.427
   87   1H2     G   8          1H2         G   8  25.460   5.785   5.906
   88   2H2     G   8          2H2         G   8  26.250   5.655   4.351
   89   1H5*    G   9          1H5*        G   9  21.300  10.595   9.177
   90   2H5*    G   9          2H5*        G   9  21.657  12.330   8.987
   91    H4*    G   9           H4*        G   9  23.608  10.573   9.251
   92    H3*    G   9           H3*        G   9  23.499  12.701   7.070
   93   1H2*    G   9          1H2*        G   9  25.694  12.023   6.448
   94   2HO*    G   9          2HO*        G   9  26.943  10.661   7.715
   95    H1*    G   9           H1*        G   9  25.200   9.313   6.581
   96    H8     G   9           H8         G   9  22.084  10.649   5.073
   97    H1     G   9           H1         G   9  26.900  11.006   0.898
   98   1H2     G   9          1H2         G   9  28.931  10.305   3.654
   99   2H2     G   9          2H2         G   9  28.835  10.632   1.939
  100   1H5*    A  10          1H5*        A  10  26.899  14.662   9.209
  101   2H5*    A  10          2H5*        A  10  26.825  16.367   8.730
  102    H4*    A  10           H4*        A  10  28.704  14.825   7.725
  103    H3*    A  10           H3*        A  10  26.920  16.733   6.143
  104   1H2*    A  10          1H2*        A  10  28.038  16.114   4.190
  105   2HO*    A  10          2HO*        A  10  30.022  14.832   5.791
  106    H1*    A  10           H1*        A  10  28.334  13.427   4.714
  107    H8     A  10           H8         A  10  24.848  13.720   5.467
  108   1H6     A  10          1H6         A  10  23.509  15.125  -0.384
  109   2H6     A  10          2H6         A  10  22.849  14.595   1.147
  110    H2     A  10           H2         A  10  27.943  15.645   0.219
  111   1H5*    U  11          1H5*        U  11  29.236  17.423   3.156
  112   2H5*    U  11          2H5*        U  11  30.267  18.682   3.849
  113    H4*    U  11           H4*        U  11  29.789  19.390   1.610
  114    H3*    U  11           H3*        U  11  29.063  21.050   3.677
  115   1H2*    U  11          1H2*        U  11  26.799  20.406   3.842
  116   2HO*    U  11          2HO*        U  11  25.592  22.066   2.848
  117    H1*    U  11           H1*        U  11  26.534  20.425   0.826
  118    H3     U  11           H3         U  11  22.374  18.759   0.931
  119    H5     U  11           H5         U  11  24.099  17.067   4.386
  120    H6     U  11           H6         U  11  26.165  18.216   3.844
  121   1H5*    U  12          1H5*        U  12  31.417  20.123   0.350
  122   2H5*    U  12          2H5*        U  12  32.337  21.183  -0.719
  123    H4*    U  12           H4*        U  12  30.540  19.074  -1.425
  124    H3*    U  12           H3*        U  12  32.714  20.307  -2.500
  125   1H2*    U  12          1H2*        U  12  31.729  22.258  -3.222
  126   2HO*    U  12          2HO*        U  12  32.366  21.685  -5.193
  127    H1*    U  12           H1*        U  12  29.201  20.993  -4.184
  128    H3     U  12           H3         U  12  28.249  25.377  -5.047
  129    H5     U  12           H5         U  12  28.763  25.218  -0.864
  130    H6     U  12           H6         U  12  29.517  22.924  -1.105
  131   1H5*    A  13          1H5*        A  13  33.931  16.424  -6.218
  132   2H5*    A  13          2H5*        A  13  32.471  16.364  -7.221
  133    H4*    A  13           H4*        A  13  32.986  15.009  -4.730
  134    H3*    A  13           H3*        A  13  31.481  14.517  -6.962
  135   1H2*    A  13          1H2*        A  13  29.767  16.088  -6.540
  136   2HO*    A  13          2HO*        A  13  27.985  14.922  -5.797
  137    H1*    A  13           H1*        A  13  29.736  15.316  -3.619
  138    H8     A  13           H8         A  13  29.582  18.344  -6.068
  139   1H6     A  13          1H6         A  13  25.778  20.764  -1.872
  140   2H6     A  13          2H6         A  13  26.397  20.936  -3.499
  141    H2     A  13           H2         A  13  27.656  17.039  -0.178
  142   1H5*    C  14          1H5*        C  14  33.452  11.553  -5.065
  143   2H5*    C  14          2H5*        C  14  33.235   9.837  -4.691
  144    H4*    C  14           H4*        C  14  34.081  11.268  -2.759
  145    H3*    C  14           H3*        C  14  31.517   9.634  -2.579
  146   1H2*    C  14          1H2*        C  14  31.254  10.295  -0.339
  147   2HO*    C  14          2HO*        C  14  32.922  11.211   0.870
  148    H1*    C  14           H1*        C  14  32.066  12.937  -0.649
  149   1H4     C  14          1H4         C  14  25.720  12.890  -2.489
  150   2H4     C  14          2H4         C  14  25.640  12.718  -0.751
  151    H5     C  14           H5         C  14  27.815  12.905  -3.727
  152    H6     C  14           H6         C  14  30.233  12.508  -3.558
  153   1H5*    C  15          1H5*        C  15  33.858   8.105   0.706
  154   2H5*    C  15          2H5*        C  15  34.015   6.341   0.581
  155    H4*    C  15           H4*        C  15  33.227   7.106   2.841
  156    H3*    C  15           H3*        C  15  31.400   5.389   1.104
  157   1H2*    C  15          1H2*        C  15  29.826   5.334   2.848
  158   2HO*    C  15          2HO*        C  15  30.330   5.925   4.969
  159    H1*    C  15           H1*        C  15  30.127   7.972   3.687
  160   1H4     C  15          1H4         C  15  25.835   8.084  -1.370
  161   2H4     C  15          2H4         C  15  24.888   7.476  -0.031
  162    H5     C  15           H5         C  15  28.218   8.445  -1.247
  163    H6     C  15           H6         C  15  30.201   8.306   0.184
  164   1H5*    U  16          1H5*        U  16  31.393   3.204   4.777
  165   2H5*    U  16          2H5*        U  16  31.482   1.464   4.432
  166    H4*    U  16           H4*        U  16  29.391   2.412   5.717
  167    H3*    U  16           H3*        U  16  29.282   0.519   3.323
  168   1H2*    U  16          1H2*        U  16  26.932   0.424   3.564
  169   2HO*    U  16          2HO*        U  16  26.287   0.279   5.574
  170    H1*    U  16           H1*        U  16  26.554   3.105   4.182
  171    H3     U  16           H3         U  16  24.499   2.333   0.158
  172    H5     U  16           H5         U  16  28.596   2.645  -0.783
  173    H6     U  16           H6         U  16  29.078   2.699   1.589
  174   1H5*    A  17          1H5*        A  17  27.451  -0.815   7.297
  175   2H5*    A  17          2H5*        A  17  27.911  -2.502   7.603
  176    H4*    A  17           H4*        A  17  25.528  -1.907   8.258
  177    H3*    A  17           H3*        A  17  26.119  -4.088   6.237
  178   1H2*    A  17          1H2*        A  17  23.812  -4.551   6.120
  179   2HO*    A  17          2HO*        A  17  22.338  -3.821   7.656
  180    H1*    A  17           H1*        A  17  22.896  -1.943   6.222
  181    H8     A  17           H8         A  17  25.704  -1.843   3.798
  182   1H6     A  17          1H6         A  17  22.086  -4.481  -0.435
  183   2H6     A  17          2H6         A  17  23.607  -3.662  -0.156
  184    H2     A  17           H2         A  17  20.003  -4.767   3.538
  185   1H5*    U  18          1H5*        U  18  23.903  -6.212   8.897
  186   2H5*    U  18          2H5*        U  18  24.473  -7.881   9.105
  187    H4*    U  18           H4*        U  18  22.215  -7.704   7.990
  188    H3*    U  18           H3*        U  18  24.579  -8.932   6.500
  189   1H2*    U  18          1H2*        U  18  23.153  -9.447   4.704
  190   2HO*    U  18          2HO*        U  18  21.407 -10.312   5.833
  191    H1*    U  18           H1*        U  18  21.646  -7.113   4.775
  192    H3     U  18           H3         U  18  24.014  -7.334   0.818
  193    H5     U  18           H5         U  18  26.676  -5.662   3.631
  194    H6     U  18           H6         U  18  25.068  -6.171   5.372
  195   1H5*    G  19          1H5*        G  19  21.699 -12.982   7.229
  196   2H5*    G  19          2H5*        G  19  23.061 -14.131   7.167
  197    H4*    G  19           H4*        G  19  20.985 -14.435   5.577
  198    H3*    G  19           H3*        G  19  23.888 -14.436   4.620
  199   1H2*    G  19          1H2*        G  19  23.095 -15.012   2.471
  200   2HO*    G  19          2HO*        G  19  20.988 -15.731   2.103
  201    H1*    G  19           H1*        G  19  20.886 -13.332   2.498
  202    H8     G  19           H8         G  19  23.908 -11.512   3.860
  203    H1     G  19           H1         G  19  23.976 -11.870  -2.509
  204   1H2     G  19          1H2         G  19  21.324 -14.104  -2.107
  205   2H2     G  19          2H2         G  19  22.390 -13.265  -3.212
  206   1H5*    C  20          1H5*        C  20  22.039 -18.520   3.422
  207   2H5*    C  20          2H5*        C  20  23.399 -19.662   3.428
  208    H4*    C  20           H4*        C  20  22.009 -19.486   1.252
  209    H3*    C  20           H3*        C  20  25.046 -19.104   1.281
  210   1H2*    C  20          1H2*        C  20  24.948 -19.058  -1.085
  211   2HO*    C  20          2HO*        C  20  22.206 -19.849  -0.939
  212    H1*    C  20           H1*        C  20  22.621 -17.539  -1.252
  213   1H4     C  20          1H4         C  20  27.743 -13.361  -0.545
  214   2H4     C  20          2H4         C  20  27.521 -13.549  -2.269
  215    H5     C  20           H5         C  20  26.495 -14.624   1.092
  216    H6     C  20           H6         C  20  24.775 -16.334   1.424
  217   1H5*    C  21          1H5*        C  21  23.999 -22.597  -1.362
  218   2H5*    C  21          2H5*        C  21  25.345 -23.754  -1.392
  219    H4*    C  21           H4*        C  21  24.502 -22.712  -3.654
  220    H3*    C  21           H3*        C  21  27.425 -22.882  -2.777
  221   1H2*    C  21          1H2*        C  21  28.048 -22.003  -4.876
  222   2HO*    C  21          2HO*        C  21  26.713 -23.255  -6.208
  223    H1*    C  21           H1*        C  21  25.977 -20.150  -5.077
  224   1H4     C  21          1H4         C  21  30.870 -17.368  -1.539
  225   2H4     C  21          2H4         C  21  31.124 -16.859  -3.193
  226    H5     C  21           H5         C  21  29.165 -18.946  -0.892
  227    H6     C  21           H6         C  21  27.342 -20.373  -1.686
  228    H3T    C  21           H3T        C  21  27.352 -24.670  -4.145
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  34.058  -3.216  -9.003
    2   2H5*    G   1          2H5*        G   1  34.258  -3.681  -7.293
    3    H4*    G   1           H4*        G   1  35.086  -5.307  -9.766
    4    H3*    G   1           H3*        G   1  32.689  -5.445  -7.886
    5   1H2*    G   1          1H2*        G   1  32.707  -7.791  -8.041
    6   2HO*    G   1          2HO*        G   1  32.944  -8.050 -10.258
    7    H1*    G   1           H1*        G   1  35.456  -8.135  -8.004
    8    H8     G   1           H8         G   1  34.326  -5.570  -5.432
    9    H1     G   1           H1         G   1  33.646 -11.574  -3.378
   10   1H2     G   1          1H2         G   1  34.354 -12.464  -6.677
   11   2H2     G   1          2H2         G   1  33.966 -12.998  -5.057
   12    H5T    G   1           H5T        G   1  36.257  -3.079  -9.214
   13   1H5*    G   2          1H5*        G   2  31.093  -7.598 -11.722
   14   2H5*    G   2          2H5*        G   2  29.398  -7.043 -11.800
   15    H4*    G   2           H4*        G   2  29.785  -9.574 -11.837
   16    H3*    G   2           H3*        G   2  28.139  -8.264  -9.629
   17   1H2*    G   2          1H2*        G   2  27.650 -10.394  -8.757
   18   2HO*    G   2          2HO*        G   2  28.011 -12.299  -9.931
   19    H1*    G   2           H1*        G   2  30.162 -11.512  -9.163
   20    H8     G   2           H8         G   2  30.427  -7.998  -7.749
   21    H1     G   2           H1         G   2  29.186 -12.346  -3.246
   22   1H2     G   2          1H2         G   2  28.662 -14.523  -5.928
   23   2H2     G   2          2H2         G   2  28.689 -14.300  -4.194
   24   1H5*    C   3          1H5*        C   3  24.164 -10.308 -11.801
   25   2H5*    C   3          2H5*        C   3  23.154  -8.926 -11.331
   26    H4*    C   3           H4*        C   3  22.510 -11.329 -10.483
   27    H3*    C   3           H3*        C   3  22.704  -8.860  -8.686
   28   1H2*    C   3          1H2*        C   3  21.837 -10.198  -6.936
   29   2HO*    C   3          2HO*        C   3  20.192 -11.239  -8.172
   30    H1*    C   3           H1*        C   3  23.299 -12.482  -7.556
   31   1H4     C   3          1H4         C   3  27.097  -8.496  -3.815
   32   2H4     C   3          2H4         C   3  26.354  -9.632  -2.710
   33    H5     C   3           H5         C   3  26.572  -8.410  -6.172
   34    H6     C   3           H6         C   3  25.220  -9.385  -7.964
   35   1H5*    G   4          1H5*        G   4  18.220 -10.116  -8.717
   36   2H5*    G   4          2H5*        G   4  17.269  -8.676  -8.264
   37    H4*    G   4           H4*        G   4  17.115 -10.902  -6.852
   38    H3*    G   4           H3*        G   4  17.572  -8.123  -5.661
   39   1H2*    G   4          1H2*        G   4  17.430  -9.103  -3.514
   40   2HO*    G   4          2HO*        G   4  16.605 -11.566  -4.687
   41    H1*    G   4           H1*        G   4  18.841 -11.407  -4.122
   42    H8     G   4           H8         G   4  20.571  -8.349  -5.555
   43    H1     G   4           H1         G   4  21.774  -9.198   0.655
   44   1H2     G   4          1H2         G   4  20.429 -10.761   1.484
   45   2H2     G   4          2H2         G   4  19.239 -11.590   0.505
   46   1H5*    U   5          1H5*        U   5  13.481  -8.824  -3.003
   47   2H5*    U   5          2H5*        U   5  12.976  -7.180  -3.445
   48    H4*    U   5           H4*        U   5  13.291  -7.732  -0.914
   49    H3*    U   5           H3*        U   5  14.525  -5.333  -2.337
   50   1H2*    U   5          1H2*        U   5  15.419  -4.603  -0.287
   51   2HO*    U   5          2HO*        U   5  14.713  -5.374   1.703
   52    H1*    U   5           H1*        U   5  16.126  -7.099   0.706
   53    H3     U   5           H3         U   5  19.958  -4.644   0.035
   54    H5     U   5           H5         U   5  19.033  -6.339  -3.714
   55    H6     U   5           H6         U   5  16.897  -7.019  -2.808
   56   1H5*    A   6          1H5*        A   6  12.053  -4.090   1.335
   57   2H5*    A   6          2H5*        A   6  11.373  -2.481   1.017
   58    H4*    A   6           H4*        A   6  12.736  -2.782   3.200
   59    H3*    A   6           H3*        A   6  13.036  -0.603   1.149
   60   1H2*    A   6          1H2*        A   6  15.084   0.072   1.845
   61   2HO*    A   6          2HO*        A   6  15.568   0.057   4.179
   62    H1*    A   6           H1*        A   6  15.706  -2.128   3.657
   63    H8     A   6           H8         A   6  15.896  -2.121  -0.192
   64   1H6     A   6          1H6         A   6  21.942  -1.134   0.465
   65   2H6     A   6          2H6         A   6  20.658  -1.452  -0.679
   66    H2     A   6           H2         A   6  20.056  -0.995   4.543
   67   1H5*    A   7          1H5*        A   7  13.042   3.932   3.512
   68   2H5*    A   7          2H5*        A   7  13.979   2.875   2.432
   69    H4*    A   7           H4*        A   7  14.637   3.266   5.389
   70    H3*    A   7           H3*        A   7  15.612   4.738   2.903
   71   1H2*    A   7          1H2*        A   7  17.779   4.821   3.812
   72   2HO*    A   7          2HO*        A   7  16.670   3.964   6.304
   73    H1*    A   7           H1*        A   7  17.804   2.283   4.935
   74    H8     A   7           H8         A   7  16.336   2.351   1.413
   75   1H6     A   7          1H6         A   7  22.090   1.811  -0.723
   76   2H6     A   7          2H6         A   7  20.394   1.816  -1.153
   77    H2     A   7           H2         A   7  22.321   2.462   3.716
   78   1H5*    G   8          1H5*        G   8  16.277   7.336   6.899
   79   2H5*    G   8          2H5*        G   8  16.574   9.009   6.353
   80    H4*    G   8           H4*        G   8  18.301   7.768   7.922
   81    H3*    G   8           H3*        G   8  19.006   9.282   5.369
   82   1H2*    G   8          1H2*        G   8  21.283   8.836   5.757
   83   2HO*    G   8          2HO*        G   8  22.051   8.082   7.761
   84    H1*    G   8           H1*        G   8  20.987   6.240   6.684
   85    H8     G   8           H8         G   8  18.875   7.021   3.595
   86    H1     G   8           H1         G   8  24.890   5.428   2.167
   87   1H2     G   8          1H2         G   8  25.424   5.616   5.617
   88   2H2     G   8          2H2         G   8  26.101   5.300   4.035
   89   1H5*    G   9          1H5*        G   9  21.611  11.088   8.492
   90   2H5*    G   9          2H5*        G   9  21.942  12.781   8.043
   91    H4*    G   9           H4*        G   9  23.907  11.029   8.256
   92    H3*    G   9           H3*        G   9  23.510  12.875   5.858
   93   1H2*    G   9          1H2*        G   9  25.593  12.079   5.039
   94   2HO*    G   9          2HO*        G   9  26.998  10.850   6.303
   95    H1*    G   9           H1*        G   9  25.143   9.417   5.643
   96    H8     G   9           H8         G   9  21.887  10.567   4.273
   97    H1     G   9           H1         G   9  26.254  10.153  -0.366
   98   1H2     G   9          1H2         G   9  28.551   9.874   2.253
   99   2H2     G   9          2H2         G   9  28.284   9.922   0.525
  100   1H5*    A  10          1H5*        A  10  27.176  15.075   7.161
  101   2H5*    A  10          2H5*        A  10  27.000  16.688   6.449
  102    H4*    A  10           H4*        A  10  28.711  14.986   5.397
  103    H3*    A  10           H3*        A  10  26.673  16.657   3.854
  104   1H2*    A  10          1H2*        A  10  27.460  15.728   1.859
  105   2HO*    A  10          2HO*        A  10  29.700  14.720   3.316
  106    H1*    A  10           H1*        A  10  27.867  13.147   2.739
  107    H8     A  10           H8         A  10  24.533  13.708   4.009
  108   1H6     A  10          1H6         A  10  22.274  13.914  -1.724
  109   2H6     A  10          2H6         A  10  21.865  13.739  -0.032
  110    H2     A  10           H2         A  10  26.748  14.376  -1.936
  111   1H5*    U  11          1H5*        U  11  28.867  16.886   0.531
  112   2H5*    U  11          2H5*        U  11  29.840  18.315   0.903
  113    H4*    U  11           H4*        U  11  29.149  18.538  -1.404
  114    H3*    U  11           H3*        U  11  28.530  20.540   0.375
  115   1H2*    U  11          1H2*        U  11  26.323  19.854   0.881
  116   2HO*    U  11          2HO*        U  11  26.147  21.985   0.099
  117    H1*    U  11           H1*        U  11  25.778  19.310  -2.040
  118    H3     U  11           H3         U  11  21.742  17.532  -1.246
  119    H5     U  11           H5         U  11  23.770  16.788   2.374
  120    H6     U  11           H6         U  11  25.742  17.814   1.411
  121   1H5*    U  12          1H5*        U  12  31.070  19.841  -2.765
  122   2H5*    U  12          2H5*        U  12  31.631  20.682  -4.218
  123    H4*    U  12           H4*        U  12  29.998  18.331  -4.020
  124    H3*    U  12           H3*        U  12  31.752  19.427  -5.775
  125   1H2*    U  12          1H2*        U  12  30.424  21.040  -6.739
  126   2HO*    U  12          2HO*        U  12  30.897  19.762  -8.513
  127    H1*    U  12           H1*        U  12  27.963  19.335  -6.799
  128    H3     U  12           H3         U  12  26.189  23.165  -8.514
  129    H5     U  12           H5         U  12  27.538  24.274  -4.676
  130    H6     U  12           H6         U  12  28.572  22.089  -4.477
  131   1H5*    A  13          1H5*        A  13  32.935  14.792  -8.430
  132   2H5*    A  13          2H5*        A  13  31.459  14.479  -9.361
  133    H4*    A  13           H4*        A  13  32.122  13.585  -6.705
  134    H3*    A  13           H3*        A  13  30.597  12.651  -8.776
  135   1H2*    A  13          1H2*        A  13  28.805  14.171  -8.555
  136   2HO*    A  13          2HO*        A  13  27.113  13.050  -7.578
  137    H1*    A  13           H1*        A  13  28.889  13.893  -5.545
  138    H8     A  13           H8         A  13  28.535  16.473  -8.443
  139   1H6     A  13          1H6         A  13  24.684  19.348  -4.592
  140   2H6     A  13          2H6         A  13  25.278  19.298  -6.236
  141    H2     A  13           H2         A  13  26.742  16.008  -2.386
  142   1H5*    C  14          1H5*        C  14  32.760  10.149  -6.442
  143   2H5*    C  14          2H5*        C  14  32.643   8.503  -5.802
  144    H4*    C  14           H4*        C  14  33.410  10.270  -4.129
  145    H3*    C  14           H3*        C  14  30.958   8.522  -3.665
  146   1H2*    C  14          1H2*        C  14  30.658   9.504  -1.552
  147   2HO*    C  14          2HO*        C  14  33.241  10.699  -1.834
  148    H1*    C  14           H1*        C  14  31.285  12.112  -2.276
  149   1H4     C  14          1H4         C  14  24.959  11.357  -4.017
  150   2H4     C  14          2H4         C  14  24.895  11.407  -2.269
  151    H5     C  14           H5         C  14  27.052  11.365  -5.273
  152    H6     C  14           H6         C  14  29.493  11.166  -5.073
  153   1H5*    C  15          1H5*        C  15  33.482   7.627  -0.241
  154   2H5*    C  15          2H5*        C  15  33.711   5.872  -0.087
  155    H4*    C  15           H4*        C  15  32.935   6.978   2.041
  156    H3*    C  15           H3*        C  15  31.188   4.890   0.671
  157   1H2*    C  15          1H2*        C  15  29.648   5.038   2.437
  158   2HO*    C  15          2HO*        C  15  30.151   6.053   4.410
  159    H1*    C  15           H1*        C  15  29.790   7.793   2.808
  160   1H4     C  15          1H4         C  15  25.462   6.767  -2.115
  161   2H4     C  15          2H4         C  15  24.565   6.338  -0.676
  162    H5     C  15           H5         C  15  27.817   7.291  -2.097
  163    H6     C  15           H6         C  15  29.813   7.528  -0.700
  164   1H5*    U  16          1H5*        U  16  31.267   3.145   4.575
  165   2H5*    U  16          2H5*        U  16  31.372   1.384   4.373
  166    H4*    U  16           H4*        U  16  29.233   2.418   5.499
  167    H3*    U  16           H3*        U  16  29.207   0.350   3.252
  168   1H2*    U  16          1H2*        U  16  26.850   0.266   3.434
  169   2HO*    U  16          2HO*        U  16  26.217   0.237   5.465
  170    H1*    U  16           H1*        U  16  26.458   2.985   3.832
  171    H3     U  16           H3         U  16  24.507   1.922  -0.173
  172    H5     U  16           H5         U  16  28.627   2.171  -1.031
  173    H6     U  16           H6         U  16  29.049   2.384   1.344
  174   1H5*    A  17          1H5*        A  17  27.272  -0.780   7.302
  175   2H5*    A  17          2H5*        A  17  27.706  -2.463   7.663
  176    H4*    A  17           H4*        A  17  25.306  -1.809   8.227
  177    H3*    A  17           H3*        A  17  25.951  -4.088   6.335
  178   1H2*    A  17          1H2*        A  17  23.648  -4.543   6.147
  179   2HO*    A  17          2HO*        A  17  23.157  -2.734   8.298
  180    H1*    A  17           H1*        A  17  22.748  -1.930   6.077
  181    H8     A  17           H8         A  17  25.686  -1.981   3.800
  182   1H6     A  17          1H6         A  17  22.222  -4.709  -0.505
  183   2H6     A  17          2H6         A  17  23.744  -3.906  -0.181
  184    H2     A  17           H2         A  17  19.947  -4.807   3.372
  185   1H5*    U  18          1H5*        U  18  23.591  -6.117   8.934
  186   2H5*    U  18          2H5*        U  18  24.145  -7.781   9.204
  187    H4*    U  18           H4*        U  18  21.953  -7.625   7.961
  188    H3*    U  18           H3*        U  18  24.391  -8.873   6.611
  189   1H2*    U  18          1H2*        U  18  23.041  -9.439   4.769
  190   2HO*    U  18          2HO*        U  18  20.744  -8.707   6.304
  191    H1*    U  18           H1*        U  18  21.544  -7.095   4.723
  192    H3     U  18           H3         U  18  24.091  -7.400   0.882
  193    H5     U  18           H5         U  18  26.630  -5.692   3.783
  194    H6     U  18           H6         U  18  24.941  -6.158   5.457
  195   1H5*    G  19          1H5*        G  19  22.497 -13.516   7.349
  196   2H5*    G  19          2H5*        G  19  24.200 -14.044   7.369
  197    H4*    G  19           H4*        G  19  22.505 -14.996   5.583
  198    H3*    G  19           H3*        G  19  25.248 -13.841   4.863
  199   1H2*    G  19          1H2*        G  19  24.858 -14.630   2.664
  200   2HO*    G  19          2HO*        G  19  22.510 -15.969   3.581
  201    H1*    G  19           H1*        G  19  22.184 -13.880   2.580
  202    H8     G  19           H8         G  19  24.402 -11.191   4.116
  203    H1     G  19           H1         G  19  24.548 -11.172  -2.261
  204   1H2     G  19          1H2         G  19  22.768 -14.159  -2.015
  205   2H2     G  19          2H2         G  19  23.498 -12.959  -3.059
  206   1H5*    C  20          1H5*        C  20  25.440 -18.116   3.298
  207   2H5*    C  20          2H5*        C  20  27.104 -18.628   3.647
  208    H4*    C  20           H4*        C  20  26.417 -18.926   1.233
  209    H3*    C  20           H3*        C  20  28.705 -16.997   1.880
  210   1H2*    C  20          1H2*        C  20  29.080 -16.877  -0.459
  211   2HO*    C  20          2HO*        C  20  28.081 -18.313  -1.915
  212    H1*    C  20           H1*        C  20  26.390 -16.801  -1.167
  213   1H4     C  20          1H4         C  20  28.324 -10.610   0.280
  214   2H4     C  20          2H4         C  20  28.540 -10.788  -1.445
  215    H5     C  20           H5         C  20  27.657 -12.429   1.722
  216    H6     C  20           H6         C  20  27.059 -14.802   1.813
  217   1H5*    C  21          1H5*        C  21  30.349 -20.208  -0.753
  218   2H5*    C  21          2H5*        C  21  32.072 -20.435  -0.394
  219    H4*    C  21           H4*        C  21  31.349 -19.772  -2.832
  220    H3*    C  21           H3*        C  21  33.572 -18.410  -1.234
  221   1H2*    C  21          1H2*        C  21  34.078 -17.135  -3.156
  222   2HO*    C  21          2HO*        C  21  34.022 -18.726  -4.738
  223    H1*    C  21           H1*        C  21  31.441 -16.702  -3.943
  224   1H4     C  21          1H4         C  21  32.966 -12.050   0.549
  225   2H4     C  21          2H4         C  21  33.336 -11.348  -1.009
  226    H5     C  21           H5         C  21  32.277 -14.350   0.830
  227    H6     C  21           H6         C  21  31.798 -16.457  -0.321
  228    H3T    C  21           H3T        C  21  33.525 -20.296  -3.397
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  37.700  -9.275  -9.922
    2   2H5*    G   1          2H5*        G   1  38.669  -9.286 -11.417
    3    H4*    G   1           H4*        G   1  36.680  -9.758 -12.719
    4    H3*    G   1           H3*        G   1  35.195  -9.007 -10.165
    5   1H2*    G   1          1H2*        G   1  33.480 -10.512 -10.732
    6   2HO*    G   1          2HO*        G   1  34.649 -10.755 -13.330
    7    H1*    G   1           H1*        G   1  35.094 -12.527 -11.745
    8    H8     G   1           H8         G   1  36.493 -11.112  -8.505
    9    H1     G   1           H1         G   1  31.863 -15.394  -7.530
   10   1H2     G   1          1H2         G   1  31.328 -15.149 -10.971
   11   2H2     G   1          2H2         G   1  30.852 -15.878  -9.453
   12    H5T    G   1           H5T        G   1  38.306  -7.173 -10.749
   13   1H5*    G   2          1H5*        G   2  32.161  -8.422 -13.603
   14   2H5*    G   2          2H5*        G   2  31.229  -6.980 -13.117
   15    H4*    G   2           H4*        G   2  29.922  -9.129 -13.707
   16    H3*    G   2           H3*        G   2  29.630  -7.738 -11.006
   17   1H2*    G   2          1H2*        G   2  27.943  -9.280 -10.437
   18   2HO*    G   2          2HO*        G   2  27.940 -10.183 -13.151
   19    H1*    G   2           H1*        G   2  29.144 -11.521 -11.561
   20    H8     G   2           H8         G   2  31.682  -9.471  -9.634
   21    H1     G   2           H1         G   2  28.104 -13.123  -5.813
   22   1H2     G   2          1H2         G   2  26.170 -13.677  -8.668
   23   2H2     G   2          2H2         G   2  26.412 -13.998  -6.965
   24   1H5*    C   3          1H5*        C   3  25.443  -7.181 -13.002
   25   2H5*    C   3          2H5*        C   3  24.724  -5.756 -12.223
   26    H4*    C   3           H4*        C   3  23.521  -8.084 -12.002
   27    H3*    C   3           H3*        C   3  24.090  -6.173  -9.688
   28   1H2*    C   3          1H2*        C   3  22.949  -7.657  -8.250
   29   2HO*    C   3          2HO*        C   3  21.605  -9.296  -9.008
   30    H1*    C   3           H1*        C   3  23.903 -10.018  -9.368
   31   1H4     C   3          1H4         C   3  28.357  -7.858  -4.922
   32   2H4     C   3          2H4         C   3  27.398  -9.071  -4.104
   33    H5     C   3           H5         C   3  27.890  -7.097  -7.163
   34    H6     C   3           H6         C   3  26.408  -7.331  -9.097
   35   1H5*    G   4          1H5*        G   4  19.635  -7.024 -10.218
   36   2H5*    G   4          2H5*        G   4  18.620  -5.733  -9.523
   37    H4*    G   4           H4*        G   4  18.320  -8.247  -8.770
   38    H3*    G   4           H3*        G   4  18.560  -5.863  -6.878
   39   1H2*    G   4          1H2*        G   4  18.255  -7.326  -5.052
   40   2HO*    G   4          2HO*        G   4  16.510  -8.526  -5.841
   41    H1*    G   4           H1*        G   4  19.759  -9.434  -6.034
   42    H8     G   4           H8         G   4  21.564  -6.134  -6.545
   43    H1     G   4           H1         G   4  22.180  -8.390  -0.604
   44   1H2     G   4          1H2         G   4  20.793 -10.097  -0.292
   45   2H2     G   4          2H2         G   4  19.719 -10.676  -1.547
   46   1H5*    U   5          1H5*        U   5  14.157  -7.313  -4.946
   47   2H5*    U   5          2H5*        U   5  13.701  -5.598  -4.976
   48    H4*    U   5           H4*        U   5  13.761  -6.867  -2.669
   49    H3*    U   5           H3*        U   5  14.998  -4.138  -3.245
   50   1H2*    U   5          1H2*        U   5  15.684  -3.981  -1.001
   51   2HO*    U   5          2HO*        U   5  14.841  -5.258   0.632
   52    H1*    U   5           H1*        U   5  16.426  -6.633  -0.656
   53    H3     U   5           H3         U   5  20.180  -3.987  -0.308
   54    H5     U   5           H5         U   5  19.621  -4.614  -4.441
   55    H6     U   5           H6         U   5  17.461  -5.578  -3.936
   56   1H5*    A   6          1H5*        A   6  12.300  -3.828   0.555
   57   2H5*    A   6          2H5*        A   6  11.576  -2.211   0.426
   58    H4*    A   6           H4*        A   6  12.768  -2.754   2.640
   59    H3*    A   6           H3*        A   6  13.245  -0.340   0.909
   60   1H2*    A   6          1H2*        A   6  15.201   0.251   1.891
   61   2HO*    A   6          2HO*        A   6  14.098  -0.742   4.329
   62    H1*    A   6           H1*        A   6  15.723  -2.176   3.408
   63    H8     A   6           H8         A   6  16.135  -1.598  -0.390
   64   1H6     A   6          1H6         A   6  22.147  -0.899   0.759
   65   2H6     A   6          2H6         A   6  20.930  -1.009  -0.492
   66    H2     A   6           H2         A   6  20.018  -1.322   4.695
   67   1H5*    A   7          1H5*        A   7  12.950   3.894   3.781
   68   2H5*    A   7          2H5*        A   7  14.003   3.040   2.633
   69    H4*    A   7           H4*        A   7  14.443   3.135   5.658
   70    H3*    A   7           H3*        A   7  15.616   4.754   3.355
   71   1H2*    A   7          1H2*        A   7  17.705   4.762   4.431
   72   2HO*    A   7          2HO*        A   7  16.408   3.744   6.766
   73    H1*    A   7           H1*        A   7  17.639   2.153   5.365
   74    H8     A   7           H8         A   7  16.410   2.543   1.765
   75   1H6     A   7          1H6         A   7  22.275   2.005  -0.023
   76   2H6     A   7          2H6         A   7  20.612   2.101  -0.559
   77    H2     A   7           H2         A   7  22.222   2.264   4.463
   78   1H5*    G   8          1H5*        G   8  16.370   7.900   6.919
   79   2H5*    G   8          2H5*        G   8  16.515   9.380   5.933
   80    H4*    G   8           H4*        G   8  18.528   8.535   7.426
   81    H3*    G   8           H3*        G   8  18.803   9.287   4.470
   82   1H2*    G   8          1H2*        G   8  21.141   9.046   4.752
   83   2HO*    G   8          2HO*        G   8  22.119   8.924   6.763
   84    H1*    G   8           H1*        G   8  20.996   6.758   6.320
   85    H8     G   8           H8         G   8  18.602   6.672   3.351
   86    H1     G   8           H1         G   8  24.568   5.048   1.769
   87   1H2     G   8          1H2         G   8  25.381   6.096   4.999
   88   2H2     G   8          2H2         G   8  25.940   5.436   3.479
   89   1H5*    G   9          1H5*        G   9  21.694  12.293   6.188
   90   2H5*    G   9          2H5*        G   9  21.659  13.639   5.019
   91    H4*    G   9           H4*        G   9  23.874  12.258   5.428
   92    H3*    G   9           H3*        G   9  22.726  12.828   2.654
   93   1H2*    G   9          1H2*        G   9  24.732  11.897   1.782
   94   2HO*    G   9          2HO*        G   9  25.789  11.716   4.421
   95    H1*    G   9           H1*        G   9  24.840   9.771   3.558
   96    H8     G   9           H8         G   9  21.262  10.017   2.518
   97    H1     G   9           H1         G   9  24.858   7.664  -2.202
   98   1H2     G   9          1H2         G   9  27.558   8.727  -0.256
   99   2H2     G   9          2H2         G   9  27.016   7.957  -1.730
  100   1H5*    A  10          1H5*        A  10  26.158  15.628   1.969
  101   2H5*    A  10          2H5*        A  10  25.588  16.713   0.688
  102    H4*    A  10           H4*        A  10  27.342  14.836   0.111
  103    H3*    A  10           H3*        A  10  24.807  15.456  -1.477
  104   1H2*    A  10          1H2*        A  10  25.381  13.768  -2.993
  105   2HO*    A  10          2HO*        A  10  27.598  14.349  -3.227
  106    H1*    A  10           H1*        A  10  26.364  11.926  -1.190
  107    H8     A  10           H8         A  10  23.253  12.795   0.436
  108   1H6     A  10          1H6         A  10  20.027  10.156  -4.108
  109   2H6     A  10          2H6         A  10  19.952  10.769  -2.470
  110    H2     A  10           H2         A  10  24.262  10.741  -5.517
  111   1H5*    U  11          1H5*        U  11  26.352  14.303  -4.980
  112   2H5*    U  11          2H5*        U  11  27.078  15.821  -5.525
  113    H4*    U  11           H4*        U  11  25.980  14.835  -7.447
  114    H3*    U  11           H3*        U  11  25.324  17.392  -6.686
  115   1H2*    U  11          1H2*        U  11  23.396  16.868  -5.417
  116   2HO*    U  11          2HO*        U  11  21.593  17.380  -6.774
  117    H1*    U  11           H1*        U  11  22.467  14.946  -7.554
  118    H3     U  11           H3         U  11  18.997  13.500  -5.113
  119    H5     U  11           H5         U  11  21.730  14.717  -2.142
  120    H6     U  11           H6         U  11  23.295  15.288  -3.902
  121   1H5*    U  12          1H5*        U  12  27.349  15.520  -9.636
  122   2H5*    U  12          2H5*        U  12  27.529  15.610 -11.395
  123    H4*    U  12           H4*        U  12  26.409  13.498  -9.810
  124    H3*    U  12           H3*        U  12  27.652  13.787 -12.203
  125   1H2*    U  12          1H2*        U  12  25.920  14.597 -13.476
  126   2HO*    U  12          2HO*        U  12  25.030  12.919 -14.682
  127    H1*    U  12           H1*        U  12  23.837  12.846 -12.228
  128    H3     U  12           H3         U  12  21.182  15.208 -15.085
  129    H5     U  12           H5         U  12  22.816  18.132 -12.524
  130    H6     U  12           H6         U  12  24.246  16.413 -11.580
  131   1H5*    A  13          1H5*        A  13  29.332   8.610 -12.655
  132   2H5*    A  13          2H5*        A  13  27.834   7.713 -12.959
  133    H4*    A  13           H4*        A  13  29.054   8.353 -10.429
  134    H3*    A  13           H3*        A  13  27.470   6.346 -11.403
  135   1H2*    A  13          1H2*        A  13  25.453   7.565 -11.514
  136   2HO*    A  13          2HO*        A  13  24.200   6.929  -9.739
  137    H1*    A  13           H1*        A  13  26.033   8.848  -8.839
  138    H8     A  13           H8         A  13  24.748   9.590 -12.447
  139   1H6     A  13          1H6         A  13  20.987  13.569  -9.624
  140   2H6     A  13          2H6         A  13  21.340  12.776 -11.143
  141    H2     A  13           H2         A  13  23.961  11.987  -6.637
  142   1H5*    C  14          1H5*        C  14  30.479   5.753  -8.740
  143   2H5*    C  14          2H5*        C  14  30.865   4.610  -7.446
  144    H4*    C  14           H4*        C  14  31.358   7.032  -6.886
  145    H3*    C  14           H3*        C  14  29.415   5.367  -5.230
  146   1H2*    C  14          1H2*        C  14  29.118   7.184  -3.767
  147   2HO*    C  14          2HO*        C  14  31.269   7.798  -3.488
  148    H1*    C  14           H1*        C  14  29.088   9.197  -5.679
  149   1H4     C  14          1H4         C  14  22.924   6.822  -5.649
  150   2H4     C  14          2H4         C  14  23.020   7.736  -4.160
  151    H5     C  14           H5         C  14  24.835   6.472  -7.120
  152    H6     C  14           H6         C  14  27.269   6.737  -7.322
  153   1H5*    C  15          1H5*        C  15  32.942   5.732  -2.176
  154   2H5*    C  15          2H5*        C  15  33.100   4.093  -1.508
  155    H4*    C  15           H4*        C  15  32.678   5.938   0.211
  156    H3*    C  15           H3*        C  15  30.803   3.553  -0.099
  157   1H2*    C  15          1H2*        C  15  29.515   4.338   1.698
  158   2HO*    C  15          2HO*        C  15  31.044   4.865   3.206
  159    H1*    C  15           H1*        C  15  29.628   7.045   1.076
  160   1H4     C  15          1H4         C  15  24.766   4.422  -2.607
  161   2H4     C  15          2H4         C  15  24.066   4.520  -1.008
  162    H5     C  15           H5         C  15  27.082   4.909  -3.068
  163    H6     C  15           H6         C  15  29.221   5.601  -2.099
  164   1H5*    U  16          1H5*        U  16  31.255   2.785   4.190
  165   2H5*    U  16          2H5*        U  16  31.270   1.010   4.233
  166    H4*    U  16           H4*        U  16  29.242   2.301   5.301
  167    H3*    U  16           H3*        U  16  29.006  -0.060   3.378
  168   1H2*    U  16          1H2*        U  16  26.662   0.006   3.661
  169   2HO*    U  16          2HO*        U  16  27.041   1.860   5.803
  170    H1*    U  16           H1*        U  16  26.408   2.771   3.675
  171    H3     U  16           H3         U  16  24.259   1.192  -0.062
  172    H5     U  16           H5         U  16  28.346   1.213  -1.099
  173    H6     U  16           H6         U  16  28.867   1.731   1.208
  174   1H5*    A  17          1H5*        A  17  27.112  -1.228   7.606
  175   2H5*    A  17          2H5*        A  17  27.634  -2.915   7.804
  176    H4*    A  17           H4*        A  17  25.188  -2.491   8.332
  177    H3*    A  17           H3*        A  17  25.994  -4.449   6.158
  178   1H2*    A  17          1H2*        A  17  23.707  -5.006   5.906
  179   2HO*    A  17          2HO*        A  17  22.138  -4.413   7.416
  180    H1*    A  17           H1*        A  17  22.699  -2.444   6.121
  181    H8     A  17           H8         A  17  25.744  -2.205   3.955
  182   1H6     A  17          1H6         A  17  22.421  -4.331  -0.770
  183   2H6     A  17          2H6         A  17  23.939  -3.605  -0.292
  184    H2     A  17           H2         A  17  19.983  -4.845   2.975
  185   1H5*    U  18          1H5*        U  18  23.691  -6.995   8.245
  186   2H5*    U  18          2H5*        U  18  24.371  -8.635   8.268
  187    H4*    U  18           H4*        U  18  22.234  -8.429   6.936
  188    H3*    U  18           H3*        U  18  24.828  -9.251   5.549
  189   1H2*    U  18          1H2*        U  18  23.605  -9.605   3.570
  190   2HO*    U  18          2HO*        U  18  21.378  -9.799   3.523
  191    H1*    U  18           H1*        U  18  21.926  -7.403   3.819
  192    H3     U  18           H3         U  18  24.639  -6.913   0.112
  193    H5     U  18           H5         U  18  26.905  -5.480   3.370
  194    H6     U  18           H6         U  18  25.197  -6.333   4.863
  195   1H5*    G  19          1H5*        G  19  21.959 -13.139   5.144
  196   2H5*    G  19          2H5*        G  19  23.187 -14.410   4.903
  197    H4*    G  19           H4*        G  19  21.259 -14.043   3.138
  198    H3*    G  19           H3*        G  19  24.226 -14.228   2.416
  199   1H2*    G  19          1H2*        G  19  23.568 -14.211   0.144
  200   2HO*    G  19          2HO*        G  19  21.828 -15.319  -0.309
  201    H1*    G  19           H1*        G  19  21.592 -12.284   0.426
  202    H8     G  19           H8         G  19  24.719 -11.308   2.338
  203    H1     G  19           H1         G  19  25.211 -10.115  -3.911
  204   1H2     G  19          1H2         G  19  22.261 -11.958  -4.185
  205   2H2     G  19          2H2         G  19  23.510 -11.047  -5.000
  206   1H5*    C  20          1H5*        C  20  22.068 -17.597   0.134
  207   2H5*    C  20          2H5*        C  20  23.297 -18.838  -0.181
  208    H4*    C  20           H4*        C  20  22.053 -17.755  -2.215
  209    H3*    C  20           H3*        C  20  25.099 -17.990  -2.021
  210   1H2*    C  20          1H2*        C  20  25.185 -17.206  -4.254
  211   2HO*    C  20          2HO*        C  20  22.343 -17.418  -4.420
  212    H1*    C  20           H1*        C  20  23.182 -15.292  -3.968
  213   1H4     C  20          1H4         C  20  28.897 -12.587  -1.917
  214   2H4     C  20          2H4         C  20  28.785 -12.212  -3.620
  215    H5     C  20           H5         C  20  27.320 -14.011  -0.772
  216    H6     C  20           H6         C  20  25.300 -15.373  -1.015
  217   1H5*    C  21          1H5*        C  21  23.739 -20.153  -5.661
  218   2H5*    C  21          2H5*        C  21  24.805 -21.533  -5.989
  219    H4*    C  21           H4*        C  21  24.489 -19.693  -7.838
  220    H3*    C  21           H3*        C  21  27.179 -20.805  -6.910
  221   1H2*    C  21          1H2*        C  21  28.224 -19.513  -8.586
  222   2HO*    C  21          2HO*        C  21  26.858 -19.941 -10.323
  223    H1*    C  21           H1*        C  21  26.625 -17.252  -8.292
  224   1H4     C  21          1H4         C  21  31.525 -16.860  -3.816
  225   2H4     C  21          2H4         C  21  32.088 -15.984  -5.222
  226    H5     C  21           H5         C  21  29.448 -18.097  -3.774
  227    H6     C  21           H6         C  21  27.475 -18.754  -5.068
  228    H3T    C  21           H3T        C  21  25.769 -22.243  -7.988
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  35.862 -18.308  -6.169
    2   2H5*    G   1          2H5*        G   1  34.979 -16.885  -6.781
    3    H4*    G   1           H4*        G   1  33.834 -19.115  -7.167
    4    H3*    G   1           H3*        G   1  32.527 -17.018  -5.381
    5   1H2*    G   1          1H2*        G   1  30.655 -18.417  -5.123
    6   2HO*    G   1          2HO*        G   1  30.262 -20.192  -6.465
    7    H1*    G   1           H1*        G   1  32.029 -20.819  -4.929
    8    H8     G   1           H8         G   1  33.806 -18.273  -2.804
    9    H1     G   1           H1         G   1  28.504 -20.442   0.016
   10   1H2     G   1          1H2         G   1  27.791 -21.843  -3.102
   11   2H2     G   1          2H2         G   1  27.291 -21.606  -1.443
   12    H5T    G   1           H5T        G   1  34.609 -16.231  -4.787
   13   1H5*    G   2          1H5*        G   2  29.470 -17.957  -8.654
   14   2H5*    G   2          2H5*        G   2  28.570 -16.442  -8.930
   15    H4*    G   2           H4*        G   2  27.256 -18.599  -8.291
   16    H3*    G   2           H3*        G   2  27.000 -15.972  -6.757
   17   1H2*    G   2          1H2*        G   2  25.312 -16.954  -5.439
   18   2HO*    G   2          2HO*        G   2  24.097 -17.964  -7.046
   19    H1*    G   2           H1*        G   2  26.503 -19.453  -5.188
   20    H8     G   2           H8         G   2  29.084 -16.734  -4.686
   21    H1     G   2           H1         G   2  25.486 -17.628   0.510
   22   1H2     G   2          1H2         G   2  23.508 -19.608  -1.580
   23   2H2     G   2          2H2         G   2  23.764 -18.954   0.022
   24   1H5*    C   3          1H5*        C   3  22.739 -15.824  -9.009
   25   2H5*    C   3          2H5*        C   3  22.481 -14.067  -9.037
   26    H4*    C   3           H4*        C   3  20.786 -15.592  -7.728
   27    H3*    C   3           H3*        C   3  22.066 -13.047  -6.625
   28   1H2*    C   3          1H2*        C   3  20.767 -13.307  -4.673
   29   2HO*    C   3          2HO*        C   3  19.288 -15.362  -5.999
   30    H1*    C   3           H1*        C   3  20.985 -16.073  -4.483
   31   1H4     C   3          1H4         C   3  26.303 -13.348  -1.558
   32   2H4     C   3          2H4         C   3  25.166 -13.697  -0.277
   33    H5     C   3           H5         C   3  25.795 -13.672  -3.898
   34    H6     C   3           H6         C   3  24.093 -14.391  -5.501
   35   1H5*    G   4          1H5*        G   4  17.578 -12.814  -6.646
   36   2H5*    G   4          2H5*        G   4  16.973 -11.139  -6.721
   37    H4*    G   4           H4*        G   4  16.255 -12.756  -4.757
   38    H3*    G   4           H3*        G   4  17.277  -9.900  -4.390
   39   1H2*    G   4          1H2*        G   4  16.891 -10.111  -2.072
   40   2HO*    G   4          2HO*        G   4  14.847 -11.051  -2.097
   41    H1*    G   4           H1*        G   4  17.762 -12.728  -1.820
   42    H8     G   4           H8         G   4  20.168 -10.738  -3.967
   43    H1     G   4           H1         G   4  21.010  -9.700   2.275
   44   1H2     G   4          1H2         G   4  19.332 -10.589   3.427
   45   2H2     G   4          2H2         G   4  18.008 -11.434   2.656
   46   1H5*    U   5          1H5*        U   5  13.063  -9.215  -2.080
   47   2H5*    U   5          2H5*        U   5  12.787  -7.660  -2.891
   48    H4*    U   5           H4*        U   5  12.852  -7.637  -0.305
   49    H3*    U   5           H3*        U   5  14.590  -5.844  -2.055
   50   1H2*    U   5          1H2*        U   5  15.466  -4.819  -0.127
   51   2HO*    U   5          2HO*        U   5  13.428  -6.129   1.391
   52    H1*    U   5           H1*        U   5  15.648  -7.097   1.447
   53    H3     U   5           H3         U   5  19.914  -5.577   0.681
   54    H5     U   5           H5         U   5  18.910  -7.854  -2.722
   55    H6     U   5           H6         U   5  16.631  -7.927  -1.919
   56   1H5*    A   6          1H5*        A   6  11.874  -3.735   0.918
   57   2H5*    A   6          2H5*        A   6  11.498  -2.060   0.466
   58    H4*    A   6           H4*        A   6  12.564  -2.600   2.834
   59    H3*    A   6           H3*        A   6  12.935  -0.330   0.961
   60   1H2*    A   6          1H2*        A   6  15.102   0.091   1.427
   61   2HO*    A   6          2HO*        A   6  15.663   0.306   3.758
   62    H1*    A   6           H1*        A   6  15.500  -1.958   3.530
   63    H8     A   6           H8         A   6  16.101  -2.331  -0.239
   64   1H6     A   6          1H6         A   6  22.053  -1.220   0.904
   65   2H6     A   6          2H6         A   6  20.889  -1.676  -0.320
   66    H2     A   6           H2         A   6  19.767  -0.641   4.731
   67   1H5*    A   7          1H5*        A   7  12.939   4.042   4.069
   68   2H5*    A   7          2H5*        A   7  13.824   3.355   2.688
   69    H4*    A   7           H4*        A   7  14.733   3.325   5.610
   70    H3*    A   7           H3*        A   7  15.579   4.907   3.143
   71   1H2*    A   7          1H2*        A   7  17.812   4.849   3.880
   72   2HO*    A   7          2HO*        A   7  16.854   3.896   6.399
   73    H1*    A   7           H1*        A   7  17.813   2.246   4.850
   74    H8     A   7           H8         A   7  16.081   2.596   1.466
   75   1H6     A   7          1H6         A   7  21.617   1.887  -1.144
   76   2H6     A   7          2H6         A   7  19.896   1.996  -1.435
   77    H2     A   7           H2         A   7  22.224   2.295   3.291
   78   1H5*    G   8          1H5*        G   8  16.582   7.240   7.231
   79   2H5*    G   8          2H5*        G   8  16.953   8.926   6.783
   80    H4*    G   8           H4*        G   8  18.680   7.480   8.165
   81    H3*    G   8           H3*        G   8  19.337   9.137   5.692
   82   1H2*    G   8          1H2*        G   8  21.599   8.531   5.897
   83   2HO*    G   8          2HO*        G   8  21.006   7.453   8.476
   84    H1*    G   8           H1*        G   8  21.202   5.888   6.634
   85    H8     G   8           H8         G   8  18.923   7.027   3.788
   86    H1     G   8           H1         G   8  24.714   5.261   1.775
   87   1H2     G   8          1H2         G   8  25.527   5.182   5.173
   88   2H2     G   8          2H2         G   8  26.063   4.955   3.524
   89   1H5*    G   9          1H5*        G   9  22.283  10.773   8.497
   90   2H5*    G   9          2H5*        G   9  22.590  12.469   8.036
   91    H4*    G   9           H4*        G   9  24.499  10.653   7.862
   92    H3*    G   9           H3*        G   9  23.761  12.606   5.641
   93   1H2*    G   9          1H2*        G   9  25.564  11.744   4.380
   94   2HO*    G   9          2HO*        G   9  27.191  10.485   5.283
   95    H1*    G   9           H1*        G   9  25.207   9.076   5.058
   96    H8     G   9           H8         G   9  21.782  10.268   4.275
   97    H1     G   9           H1         G   9  25.275   9.756  -1.038
   98   1H2     G   9          1H2         G   9  27.996   9.571   1.139
   99   2H2     G   9          2H2         G   9  27.431   9.583  -0.517
  100   1H5*    A  10          1H5*        A  10  27.785  14.207   6.148
  101   2H5*    A  10          2H5*        A  10  27.757  15.883   5.569
  102    H4*    A  10           H4*        A  10  28.877  14.015   4.083
  103    H3*    A  10           H3*        A  10  26.901  16.135   3.125
  104   1H2*    A  10          1H2*        A  10  27.050  15.273   0.960
  105   2HO*    A  10          2HO*        A  10  28.715  13.932   0.269
  106    H1*    A  10           H1*        A  10  27.160  12.591   1.584
  107    H8     A  10           H8         A  10  24.337  13.431   3.599
  108   1H6     A  10          1H6         A  10  20.960  14.853  -1.361
  109   2H6     A  10          2H6         A  10  20.904  14.474   0.346
  110    H2     A  10           H2         A  10  25.295  14.710  -2.580
  111   1H5*    U  11          1H5*        U  11  28.698  16.266  -0.564
  112   2H5*    U  11          2H5*        U  11  29.990  17.411  -0.165
  113    H4*    U  11           H4*        U  11  29.147  17.921  -2.416
  114    H3*    U  11           H3*        U  11  29.355  19.832  -0.447
  115   1H2*    U  11          1H2*        U  11  27.139  19.828   0.271
  116   2HO*    U  11          2HO*        U  11  26.164  21.676  -0.599
  117    H1*    U  11           H1*        U  11  26.108  19.699  -2.567
  118    H3     U  11           H3         U  11  21.886  19.417  -1.046
  119    H5     U  11           H5         U  11  24.016  17.089   1.751
  120    H6     U  11           H6         U  11  26.058  17.643   0.564
  121   1H5*    U  12          1H5*        U  12  30.150  20.049  -6.087
  122   2H5*    U  12          2H5*        U  12  28.878  20.384  -4.900
  123    H4*    U  12           H4*        U  12  29.156  17.513  -5.192
  124    H3*    U  12           H3*        U  12  29.869  18.669  -7.543
  125   1H2*    U  12          1H2*        U  12  28.051  20.057  -7.880
  126   2HO*    U  12          2HO*        U  12  26.680  19.110  -9.385
  127    H1*    U  12           H1*        U  12  25.995  18.097  -6.960
  128    H3     U  12           H3         U  12  23.351  21.737  -7.794
  129    H5     U  12           H5         U  12  25.929  22.985  -4.697
  130    H6     U  12           H6         U  12  27.166  20.915  -4.976
  131   1H5*    A  13          1H5*        A  13  30.312  14.060 -10.597
  132   2H5*    A  13          2H5*        A  13  28.596  13.731 -10.853
  133    H4*    A  13           H4*        A  13  30.362  12.702  -8.840
  134    H3*    A  13           H3*        A  13  28.143  11.783 -10.126
  135   1H2*    A  13          1H2*        A  13  26.552  13.222  -9.054
  136   2HO*    A  13          2HO*        A  13  25.493  11.947  -7.481
  137    H1*    A  13           H1*        A  13  27.923  12.723  -6.405
  138    H8     A  13           H8         A  13  26.039  15.352  -8.559
  139   1H6     A  13          1H6         A  13  24.778  17.992  -3.153
  140   2H6     A  13          2H6         A  13  24.378  17.954  -4.854
  141    H2     A  13           H2         A  13  27.854  14.764  -2.480
  142   1H5*    C  14          1H5*        C  14  31.162   9.602  -7.707
  143   2H5*    C  14          2H5*        C  14  31.200   8.091  -6.787
  144    H4*    C  14           H4*        C  14  31.872  10.265  -5.544
  145    H3*    C  14           H3*        C  14  29.795   8.276  -4.541
  146   1H2*    C  14          1H2*        C  14  29.543   9.553  -2.576
  147   2HO*    C  14          2HO*        C  14  31.691   9.976  -2.080
  148    H1*    C  14           H1*        C  14  29.597  12.054  -3.759
  149   1H4     C  14          1H4         C  14  23.434   9.801  -4.630
  150   2H4     C  14          2H4         C  14  23.500  10.191  -2.925
  151    H5     C  14           H5         C  14  25.384   9.889  -6.086
  152    H6     C  14           H6         C  14  27.805  10.343  -6.187
  153   1H5*    C  15          1H5*        C  15  33.007   7.542  -1.387
  154   2H5*    C  15          2H5*        C  15  33.183   5.775  -1.313
  155    H4*    C  15           H4*        C  15  32.580   6.899   0.897
  156    H3*    C  15           H3*        C  15  30.802   4.763  -0.359
  157   1H2*    C  15          1H2*        C  15  29.381   4.871   1.503
  158   2HO*    C  15          2HO*        C  15  29.980   5.821   3.452
  159    H1*    C  15           H1*        C  15  29.476   7.625   1.882
  160   1H4     C  15          1H4         C  15  24.827   6.502  -2.713
  161   2H4     C  15          2H4         C  15  24.066   5.990  -1.223
  162    H5     C  15           H5         C  15  27.149   7.141  -2.858
  163    H6     C  15           H6         C  15  29.235   7.440  -1.607
  164   1H5*    U  16          1H5*        U  16  31.157   3.209   3.555
  165   2H5*    U  16          2H5*        U  16  31.304   1.442   3.494
  166    H4*    U  16           H4*        U  16  29.214   2.516   4.680
  167    H3*    U  16           H3*        U  16  29.113   0.248   2.639
  168   1H2*    U  16          1H2*        U  16  26.773   0.119   2.959
  169   2HO*    U  16          2HO*        U  16  25.732   1.099   4.707
  170    H1*    U  16           H1*        U  16  26.309   2.848   3.141
  171    H3     U  16           H3         U  16  24.180   1.401  -0.643
  172    H5     U  16           H5         U  16  28.243   1.624  -1.740
  173    H6     U  16           H6         U  16  28.785   2.072   0.577
  174   1H5*    A  17          1H5*        A  17  27.609  -0.497   6.923
  175   2H5*    A  17          2H5*        A  17  27.918  -2.167   7.440
  176    H4*    A  17           H4*        A  17  25.604  -1.190   8.013
  177    H3*    A  17           H3*        A  17  25.994  -3.793   6.509
  178   1H2*    A  17          1H2*        A  17  23.654  -4.087   6.472
  179   2HO*    A  17          2HO*        A  17  22.378  -3.341   8.000
  180    H1*    A  17           H1*        A  17  22.946  -1.458   5.992
  181    H8     A  17           H8         A  17  25.785  -2.115   3.680
  182   1H6     A  17          1H6         A  17  21.982  -5.233  -0.022
  183   2H6     A  17          2H6         A  17  23.569  -4.513   0.133
  184    H2     A  17           H2         A  17  19.834  -4.499   3.862
  185   1H5*    U  18          1H5*        U  18  23.634  -5.045   9.599
  186   2H5*    U  18          2H5*        U  18  24.057  -6.657  10.211
  187    H4*    U  18           H4*        U  18  21.790  -6.530   9.081
  188    H3*    U  18           H3*        U  18  23.990  -8.344   7.998
  189   1H2*    U  18          1H2*        U  18  22.506  -9.155   6.367
  190   2HO*    U  18          2HO*        U  18  20.691  -9.515   7.657
  191    H1*    U  18           H1*        U  18  21.245  -6.744   5.798
  192    H3     U  18           H3         U  18  23.600  -8.312   2.122
  193    H5     U  18           H5         U  18  26.353  -6.056   4.387
  194    H6     U  18           H6         U  18  24.709  -5.934   6.164
  195   1H5*    G  19          1H5*        G  19  20.383 -11.123   9.585
  196   2H5*    G  19          2H5*        G  19  21.216 -12.617  10.090
  197    H4*    G  19           H4*        G  19  19.161 -12.816   8.519
  198    H3*    G  19           H3*        G  19  21.890 -13.991   7.830
  199   1H2*    G  19          1H2*        G  19  20.965 -14.929   5.882
  200   2HO*    G  19          2HO*        G  19  18.373 -14.242   6.871
  201    H1*    G  19           H1*        G  19  19.348 -12.781   5.200
  202    H8     G  19           H8         G  19  22.749 -11.523   6.248
  203    H1     G  19           H1         G  19  22.794 -13.878   0.321
  204   1H2     G  19          1H2         G  19  19.605 -15.068   1.093
  205   2H2     G  19          2H2         G  19  20.883 -14.941  -0.095
  206   1H5*    C  20          1H5*        C  20  19.088 -17.543   7.571
  207   2H5*    C  20          2H5*        C  20  20.051 -18.945   8.080
  208    H4*    C  20           H4*        C  20  19.004 -19.045   5.724
  209    H3*    C  20           H3*        C  20  22.010 -19.398   6.173
  210   1H2*    C  20          1H2*        C  20  22.178 -19.962   3.880
  211   2HO*    C  20          2HO*        C  20  19.326 -20.014   3.722
  212    H1*    C  20           H1*        C  20  20.378 -18.045   2.968
  213   1H4     C  20          1H4         C  20  26.332 -15.148   3.549
  214   2H4     C  20          2H4         C  20  26.253 -15.738   1.905
  215    H5     C  20           H5         C  20  24.626 -15.596   5.196
  216    H6     C  20           H6         C  20  22.481 -16.698   5.617
  217   1H5*    C  21          1H5*        C  21  20.318 -23.115   4.274
  218   2H5*    C  21          2H5*        C  21  21.285 -24.528   4.744
  219    H4*    C  21           H4*        C  21  20.995 -23.969   2.193
  220    H3*    C  21           H3*        C  21  23.655 -24.595   3.561
  221   1H2*    C  21          1H2*        C  21  24.696 -24.504   1.445
  222   2HO*    C  21          2HO*        C  21  23.237 -25.701   0.225
  223    H1*    C  21           H1*        C  21  23.250 -22.333   0.470
  224   1H4     C  21          1H4         C  21  28.363 -19.959   3.992
  225   2H4     C  21          2H4         C  21  28.905 -20.005   2.329
  226    H5     C  21           H5         C  21  26.232 -20.833   4.710
  227    H6     C  21           H6         C  21  24.169 -21.937   3.991
  228    H3T    C  21           H3T        C  21  22.155 -26.295   3.461
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  36.388  -7.934  -7.117
    2   2H5*    G   1          2H5*        G   1  37.404  -8.001  -8.580
    3    H4*    G   1           H4*        G   1  35.827  -9.464  -9.649
    4    H3*    G   1           H3*        G   1  33.901  -8.512  -7.487
    5   1H2*    G   1          1H2*        G   1  32.782 -10.579  -7.587
    6   2HO*    G   1          2HO*        G   1  33.032 -12.023  -9.294
    7    H1*    G   1           H1*        G   1  35.021 -12.186  -7.887
    8    H8     G   1           H8         G   1  35.451  -9.459  -5.245
    9    H1     G   1           H1         G   1  32.471 -14.648  -3.017
   10   1H2     G   1          1H2         G   1  32.384 -15.655  -6.360
   11   2H2     G   1          2H2         G   1  31.977 -16.021  -4.698
   12    H5T    G   1           H5T        G   1  35.807  -6.796  -9.655
   13   1H5*    G   2          1H5*        G   2  31.452  -9.926 -11.165
   14   2H5*    G   2          2H5*        G   2  29.917  -9.018 -11.126
   15    H4*    G   2           H4*        G   2  29.853 -11.624 -11.176
   16    H3*    G   2           H3*        G   2  28.409  -9.936  -9.085
   17   1H2*    G   2          1H2*        G   2  27.489 -11.896  -8.164
   18   2HO*    G   2          2HO*        G   2  28.433 -13.330 -10.452
   19    H1*    G   2           H1*        G   2  29.746 -13.497  -8.428
   20    H8     G   2           H8         G   2  30.540 -10.005  -7.116
   21    H1     G   2           H1         G   2  28.598 -13.993  -2.526
   22   1H2     G   2          1H2         G   2  27.814 -16.150  -5.159
   23   2H2     G   2          2H2         G   2  27.840 -15.881  -3.431
   24   1H5*    C   3          1H5*        C   3  24.274 -11.177 -11.454
   25   2H5*    C   3          2H5*        C   3  23.451  -9.660 -11.039
   26    H4*    C   3           H4*        C   3  22.434 -11.938 -10.211
   27    H3*    C   3           H3*        C   3  22.883  -9.482  -8.450
   28   1H2*    C   3          1H2*        C   3  21.835 -10.639  -6.680
   29   2HO*    C   3          2HO*        C   3  21.040 -12.652  -8.547
   30    H1*    C   3           H1*        C   3  22.962 -13.127  -7.203
   31   1H4     C   3          1H4         C   3  27.234  -9.626  -3.494
   32   2H4     C   3          2H4         C   3  26.362 -10.663  -2.388
   33    H5     C   3           H5         C   3  26.720  -9.476  -5.849
   34    H6     C   3           H6         C   3  25.264 -10.288  -7.640
   35   1H5*    G   4          1H5*        G   4  18.368 -10.464  -8.523
   36   2H5*    G   4          2H5*        G   4  17.466  -8.971  -8.150
   37    H4*    G   4           H4*        G   4  17.145 -11.148  -6.691
   38    H3*    G   4           H3*        G   4  17.662  -8.355  -5.566
   39   1H2*    G   4          1H2*        G   4  17.417  -9.245  -3.394
   40   2HO*    G   4          2HO*        G   4  16.479 -11.684  -4.547
   41    H1*    G   4           H1*        G   4  18.747 -11.631  -3.861
   42    H8     G   4           H8         G   4  20.660  -8.721  -5.359
   43    H1     G   4           H1         G   4  21.581  -9.299   0.930
   44   1H2     G   4          1H2         G   4  20.143 -10.766   1.776
   45   2H2     G   4          2H2         G   4  18.961 -11.597   0.789
   46   1H5*    U   5          1H5*        U   5  13.348  -8.713  -3.086
   47   2H5*    U   5          2H5*        U   5  13.034  -7.046  -3.612
   48    H4*    U   5           H4*        U   5  13.186  -7.565  -1.038
   49    H3*    U   5           H3*        U   5  14.606  -5.284  -2.480
   50   1H2*    U   5          1H2*        U   5  15.472  -4.539  -0.422
   51   2HO*    U   5          2HO*        U   5  14.653  -5.200   1.561
   52    H1*    U   5           H1*        U   5  16.002  -7.038   0.668
   53    H3     U   5           H3         U   5  19.998  -4.849   0.057
   54    H5     U   5           H5         U   5  19.073  -6.559  -3.686
   55    H6     U   5           H6         U   5  16.875  -7.090  -2.828
   56   1H5*    A   6          1H5*        A   6  12.061  -3.880   1.073
   57   2H5*    A   6          2H5*        A   6  11.476  -2.236   0.751
   58    H4*    A   6           H4*        A   6  12.749  -2.684   2.987
   59    H3*    A   6           H3*        A   6  13.046  -0.410   1.066
   60   1H2*    A   6          1H2*        A   6  15.154   0.148   1.658
   61   2HO*    A   6          2HO*        A   6  14.272  -0.299   4.334
   62    H1*    A   6           H1*        A   6  15.666  -2.034   3.569
   63    H8     A   6           H8         A   6  16.113  -2.066  -0.258
   64   1H6     A   6          1H6         A   6  22.114  -1.125   0.782
   65   2H6     A   6          2H6         A   6  20.904  -1.448  -0.440
   66    H2     A   6           H2         A   6  19.968  -0.911   4.724
   67   1H5*    A   7          1H5*        A   7  12.981   3.998   3.970
   68   2H5*    A   7          2H5*        A   7  13.906   3.189   2.686
   69    H4*    A   7           H4*        A   7  14.695   3.280   5.639
   70    H3*    A   7           H3*        A   7  15.607   4.849   3.190
   71   1H2*    A   7          1H2*        A   7  17.807   4.852   4.023
   72   2HO*    A   7          2HO*        A   7  18.302   4.343   6.167
   73    H1*    A   7           H1*        A   7  17.821   2.262   5.021
   74    H8     A   7           H8         A   7  16.231   2.559   1.559
   75   1H6     A   7          1H6         A   7  21.883   1.901  -0.803
   76   2H6     A   7          2H6         A   7  20.175   1.992  -1.170
   77    H2     A   7           H2         A   7  22.291   2.326   3.651
   78   1H5*    G   8          1H5*        G   8  16.434   7.421   7.121
   79   2H5*    G   8          2H5*        G   8  16.766   9.089   6.583
   80    H4*    G   8           H4*        G   8  18.548   7.741   7.992
   81    H3*    G   8           H3*        G   8  19.131   9.274   5.418
   82   1H2*    G   8          1H2*        G   8  21.405   8.710   5.630
   83   2HO*    G   8          2HO*        G   8  20.852   7.786   8.278
   84    H1*    G   8           H1*        G   8  21.054   6.114   6.534
   85    H8     G   8           H8         G   8  18.758   7.016   3.623
   86    H1     G   8           H1         G   8  24.601   5.271   1.733
   87   1H2     G   8          1H2         G   8  25.395   5.394   5.134
   88   2H2     G   8          2H2         G   8  25.943   5.082   3.503
   89   1H5*    G   9          1H5*        G   9  22.067  10.856   8.292
   90   2H5*    G   9          2H5*        G   9  22.508  12.523   7.838
   91    H4*    G   9           H4*        G   9  24.312  10.587   7.815
   92    H3*    G   9           H3*        G   9  23.852  12.537   5.512
   93   1H2*    G   9          1H2*        G   9  25.741  11.568   4.447
   94   2HO*    G   9          2HO*        G   9  27.154  11.386   6.185
   95    H1*    G   9           H1*        G   9  25.104   8.944   5.039
   96    H8     G   9           H8         G   9  21.844  10.431   4.066
   97    H1     G   9           H1         G   9  25.630   9.800  -1.033
   98   1H2     G   9          1H2         G   9  28.161   9.236   1.308
   99   2H2     G   9          2H2         G   9  27.717   9.370  -0.379
  100   1H5*    A  10          1H5*        A  10  27.836  14.260   6.363
  101   2H5*    A  10          2H5*        A  10  27.764  15.919   5.741
  102    H4*    A  10           H4*        A  10  29.093  14.085   4.395
  103    H3*    A  10           H3*        A  10  27.085  16.064   3.224
  104   1H2*    A  10          1H2*        A  10  27.465  15.160   1.102
  105   2HO*    A  10          2HO*        A  10  29.250  13.888   0.597
  106    H1*    A  10           H1*        A  10  27.671  12.505   1.815
  107    H8     A  10           H8         A  10  24.641  13.323   3.569
  108   1H6     A  10          1H6         A  10  21.640  14.192  -1.745
  109   2H6     A  10          2H6         A  10  21.454  13.931  -0.024
  110    H2     A  10           H2         A  10  26.062  14.213  -2.584
  111   1H5*    U  11          1H5*        U  11  28.872  16.264  -0.343
  112   2H5*    U  11          2H5*        U  11  30.058  17.536  -0.018
  113    H4*    U  11           H4*        U  11  29.133  17.986  -2.211
  114    H3*    U  11           H3*        U  11  29.017  19.930  -0.271
  115   1H2*    U  11          1H2*        U  11  26.816  19.510   0.479
  116   2HO*    U  11          2HO*        U  11  26.438  21.286  -1.737
  117    H1*    U  11           H1*        U  11  25.845  19.233  -2.369
  118    H3     U  11           H3         U  11  21.728  17.982  -1.111
  119    H5     U  11           H5         U  11  24.090  16.634   2.110
  120    H6     U  11           H6         U  11  26.045  17.477   0.951
  121   1H5*    U  12          1H5*        U  12  31.037  19.034  -3.762
  122   2H5*    U  12          2H5*        U  12  31.519  19.872  -5.247
  123    H4*    U  12           H4*        U  12  29.588  17.772  -4.918
  124    H3*    U  12           H3*        U  12  31.244  18.695  -6.864
  125   1H2*    U  12          1H2*        U  12  30.054  20.546  -7.557
  126   2HO*    U  12          2HO*        U  12  30.025  19.501  -9.470
  127    H1*    U  12           H1*        U  12  27.376  19.234  -7.337
  128    H3     U  12           H3         U  12  25.989  23.373  -8.629
  129    H5     U  12           H5         U  12  28.021  24.053  -4.997
  130    H6     U  12           H6         U  12  28.717  21.730  -5.026
  131   1H5*    A  13          1H5*        A  13  32.024  13.692  -9.035
  132   2H5*    A  13          2H5*        A  13  30.503  14.346  -9.668
  133    H4*    A  13           H4*        A  13  31.032  12.820  -7.135
  134    H3*    A  13           H3*        A  13  29.590  12.215  -9.386
  135   1H2*    A  13          1H2*        A  13  27.991  13.967  -9.239
  136   2HO*    A  13          2HO*        A  13  26.760  12.059  -9.228
  137    H1*    A  13           H1*        A  13  27.751  13.480  -6.264
  138    H8     A  13           H8         A  13  27.598  16.081  -9.110
  139   1H6     A  13          1H6         A  13  24.358  19.471  -5.120
  140   2H6     A  13          2H6         A  13  24.836  19.306  -6.795
  141    H2     A  13           H2         A  13  26.188  16.007  -2.912
  142   1H5*    C  14          1H5*        C  14  31.769  10.014  -7.269
  143   2H5*    C  14          2H5*        C  14  31.882   8.344  -6.696
  144    H4*    C  14           H4*        C  14  32.560  10.018  -4.957
  145    H3*    C  14           H3*        C  14  30.137   8.230  -4.494
  146   1H2*    C  14          1H2*        C  14  29.866   9.159  -2.351
  147   2HO*    C  14          2HO*        C  14  32.009   9.081  -1.644
  148    H1*    C  14           H1*        C  14  30.483  11.787  -3.008
  149   1H4     C  14          1H4         C  14  24.098  11.086  -4.557
  150   2H4     C  14          2H4         C  14  24.099  11.232  -2.813
  151    H5     C  14           H5         C  14  26.147  10.994  -5.887
  152    H6     C  14           H6         C  14  28.588  10.748  -5.762
  153   1H5*    C  15          1H5*        C  15  33.170   6.955  -1.470
  154   2H5*    C  15          2H5*        C  15  33.273   5.189  -1.322
  155    H4*    C  15           H4*        C  15  32.810   6.424   0.860
  156    H3*    C  15           H3*        C  15  30.884   4.332  -0.243
  157   1H2*    C  15          1H2*        C  15  29.529   4.587   1.656
  158   2HO*    C  15          2HO*        C  15  30.233   5.501   3.555
  159    H1*    C  15           H1*        C  15  29.767   7.346   1.918
  160   1H4     C  15          1H4         C  15  24.966   6.306  -2.540
  161   2H4     C  15          2H4         C  15  24.205   5.901  -1.017
  162    H5     C  15           H5         C  15  27.317   6.798  -2.750
  163    H6     C  15           H6         C  15  29.438   7.026  -1.550
  164   1H5*    U  16          1H5*        U  16  31.329   2.816   3.715
  165   2H5*    U  16          2H5*        U  16  31.360   1.042   3.642
  166    H4*    U  16           H4*        U  16  29.379   2.238   4.892
  167    H3*    U  16           H3*        U  16  29.086  -0.004   2.845
  168   1H2*    U  16          1H2*        U  16  26.752   0.015   3.197
  169   2HO*    U  16          2HO*        U  16  26.281   0.152   5.270
  170    H1*    U  16           H1*        U  16  26.457   2.767   3.415
  171    H3     U  16           H3         U  16  24.194   1.425  -0.344
  172    H5     U  16           H5         U  16  28.237   1.604  -1.527
  173    H6     U  16           H6         U  16  28.838   1.959   0.793
  174   1H5*    A  17          1H5*        A  17  27.387  -0.798   7.108
  175   2H5*    A  17          2H5*        A  17  27.781  -2.479   7.523
  176    H4*    A  17           H4*        A  17  25.424  -1.713   8.147
  177    H3*    A  17           H3*        A  17  25.933  -4.103   6.353
  178   1H2*    A  17          1H2*        A  17  23.605  -4.505   6.281
  179   2HO*    A  17          2HO*        A  17  22.154  -3.379   7.681
  180    H1*    A  17           H1*        A  17  22.792  -1.886   6.030
  181    H8     A  17           H8         A  17  25.756  -2.197   3.792
  182   1H6     A  17          1H6         A  17  22.210  -4.982  -0.402
  183   2H6     A  17          2H6         A  17  23.766  -4.241  -0.100
  184    H2     A  17           H2         A  17  19.886  -4.749   3.444
  185   1H5*    U  18          1H5*        U  18  23.630  -5.962   9.099
  186   2H5*    U  18          2H5*        U  18  24.170  -7.622   9.426
  187    H4*    U  18           H4*        U  18  21.948  -7.467   8.219
  188    H3*    U  18           H3*        U  18  24.332  -8.860   6.923
  189   1H2*    U  18          1H2*        U  18  22.963  -9.474   5.114
  190   2HO*    U  18          2HO*        U  18  20.696  -8.619   6.629
  191    H1*    U  18           H1*        U  18  21.522  -7.103   4.948
  192    H3     U  18           H3         U  18  24.052  -7.704   1.126
  193    H5     U  18           H5         U  18  26.621  -5.846   3.908
  194    H6     U  18           H6         U  18  24.930  -6.183   5.612
  195   1H5*    G  19          1H5*        G  19  21.543 -13.046   7.700
  196   2H5*    G  19          2H5*        G  19  23.040 -14.013   7.767
  197    H4*    G  19           H4*        G  19  21.127 -14.594   6.040
  198    H3*    G  19           H3*        G  19  24.078 -14.289   5.295
  199   1H2*    G  19          1H2*        G  19  23.511 -15.043   3.126
  200   2HO*    G  19          2HO*        G  19  21.523 -16.003   2.655
  201    H1*    G  19           H1*        G  19  21.141 -13.606   2.935
  202    H8     G  19           H8         G  19  23.915 -11.496   4.435
  203    H1     G  19           H1         G  19  24.314 -11.876  -1.920
  204   1H2     G  19          1H2         G  19  21.847 -14.326  -1.628
  205   2H2     G  19          2H2         G  19  22.889 -13.402  -2.687
  206   1H5*    C  20          1H5*        C  20  23.179 -18.480   3.870
  207   2H5*    C  20          2H5*        C  20  24.599 -19.417   4.377
  208    H4*    C  20           H4*        C  20  24.073 -19.646   1.927
  209    H3*    C  20           H3*        C  20  26.718 -18.323   2.719
  210   1H2*    C  20          1H2*        C  20  27.296 -18.400   0.421
  211   2HO*    C  20          2HO*        C  20  26.139 -19.628  -1.079
  212    H1*    C  20           H1*        C  20  24.777 -17.691  -0.528
  213   1H4     C  20          1H4         C  20  28.036 -12.097   0.976
  214   2H4     C  20          2H4         C  20  28.377 -12.403  -0.710
  215    H5     C  20           H5         C  20  26.803 -13.631   2.374
  216    H6     C  20           H6         C  20  25.637 -15.782   2.451
  217   1H5*    C  21          1H5*        C  21  27.506 -22.105   0.349
  218   2H5*    C  21          2H5*        C  21  29.098 -22.761   0.780
  219    H4*    C  21           H4*        C  21  28.595 -22.170  -1.731
  220    H3*    C  21           H3*        C  21  31.103 -21.323  -0.202
  221   1H2*    C  21          1H2*        C  21  31.944 -20.419  -2.215
  222   2HO*    C  21          2HO*        C  21  31.003 -20.883  -4.235
  223    H1*    C  21           H1*        C  21  29.530 -19.362  -3.118
  224   1H4     C  21          1H4         C  21  32.304 -14.922   0.978
  225   2H4     C  21          2H4         C  21  32.781 -14.452  -0.637
  226    H5     C  21           H5         C  21  31.066 -16.938   1.455
  227    H6     C  21           H6         C  21  30.023 -18.930   0.489
  228    H3T    C  21           H3T        C  21  31.934 -23.104  -1.339
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  38.200  -1.169  -8.859
    2   2H5*    G   1          2H5*        G   1  36.633  -0.332  -8.699
    3    H4*    G   1           H4*        G   1  36.702  -2.143 -10.467
    4    H3*    G   1           H3*        G   1  34.872  -2.458  -8.049
    5   1H2*    G   1          1H2*        G   1  34.039  -4.463  -8.955
    6   2HO*    G   1          2HO*        G   1  34.331  -5.046 -11.111
    7    H1*    G   1           H1*        G   1  36.438  -5.432  -9.952
    8    H8     G   1           H8         G   1  36.747  -3.968  -6.438
    9    H1     G   1           H1         G   1  34.699 -10.017  -6.447
   10   1H2     G   1          1H2         G   1  34.433  -9.595  -9.905
   11   2H2     G   1          2H2         G   1  34.237 -10.658  -8.530
   12    H5T    G   1           H5T        G   1  37.570  -0.878  -6.679
   13   1H5*    G   2          1H5*        G   2  32.344  -2.635 -11.922
   14   2H5*    G   2          2H5*        G   2  30.706  -2.070 -11.501
   15    H4*    G   2           H4*        G   2  31.042  -4.426 -12.610
   16    H3*    G   2           H3*        G   2  29.429  -3.925 -10.070
   17   1H2*    G   2          1H2*        G   2  28.829  -6.198 -10.026
   18   2HO*    G   2          2HO*        G   2  29.912  -6.460 -12.660
   19    H1*    G   2           H1*        G   2  31.290  -7.217 -10.821
   20    H8     G   2           H8         G   2  31.793  -4.506  -8.235
   21    H1     G   2           H1         G   2  30.027 -10.045  -5.601
   22   1H2     G   2          1H2         G   2  29.382 -11.046  -8.884
   23   2H2     G   2          2H2         G   2  29.380 -11.468  -7.186
   24   1H5*    C   3          1H5*        C   3  25.504  -4.680 -12.937
   25   2H5*    C   3          2H5*        C   3  24.449  -3.585 -12.020
   26    H4*    C   3           H4*        C   3  23.798  -6.123 -12.218
   27    H3*    C   3           H3*        C   3  23.851  -4.542  -9.604
   28   1H2*    C   3          1H2*        C   3  22.958  -6.446  -8.527
   29   2HO*    C   3          2HO*        C   3  21.356  -7.058  -9.955
   30    H1*    C   3           H1*        C   3  24.474  -8.328  -9.906
   31   1H4     C   3          1H4         C   3  28.088  -6.062  -4.798
   32   2H4     C   3          2H4         C   3  27.315  -7.525  -4.230
   33    H5     C   3           H5         C   3  27.649  -5.093  -6.967
   34    H6     C   3           H6         C   3  26.372  -5.315  -9.042
   35   1H5*    G   4          1H5*        G   4  19.476  -5.826 -10.411
   36   2H5*    G   4          2H5*        G   4  18.392  -4.702  -9.549
   37    H4*    G   4           H4*        G   4  18.286  -7.300  -9.095
   38    H3*    G   4           H3*        G   4  18.432  -5.150  -6.931
   39   1H2*    G   4          1H2*        G   4  18.244  -6.846  -5.300
   40   2HO*    G   4          2HO*        G   4  17.563  -8.937  -5.790
   41    H1*    G   4           H1*        G   4  19.855  -8.713  -6.567
   42    H8     G   4           H8         G   4  21.485  -5.298  -6.685
   43    H1     G   4           H1         G   4  22.271  -8.206  -1.056
   44   1H2     G   4          1H2         G   4  20.971 -10.002  -0.941
   45   2H2     G   4          2H2         G   4  19.911 -10.478  -2.249
   46   1H5*    U   5          1H5*        U   5  14.111  -6.794  -5.094
   47   2H5*    U   5          2H5*        U   5  13.647  -5.084  -4.972
   48    H4*    U   5           H4*        U   5  13.787  -6.526  -2.779
   49    H3*    U   5           H3*        U   5  15.007  -3.758  -3.177
   50   1H2*    U   5          1H2*        U   5  15.765  -3.785  -0.948
   51   2HO*    U   5          2HO*        U   5  14.974  -5.210   0.596
   52    H1*    U   5           H1*        U   5  16.502  -6.453  -0.843
   53    H3     U   5           H3         U   5  20.346  -4.031  -0.369
   54    H5     U   5           H5         U   5  19.589  -4.064  -4.515
   55    H6     U   5           H6         U   5  17.418  -5.022  -4.046
   56   1H5*    A   6          1H5*        A   6  12.793  -3.697   0.892
   57   2H5*    A   6          2H5*        A   6  11.819  -2.224   0.716
   58    H4*    A   6           H4*        A   6  13.024  -2.165   2.854
   59    H3*    A   6           H3*        A   6  13.943  -0.262   0.676
   60   1H2*    A   6          1H2*        A   6  15.632   0.575   2.014
   61   2HO*    A   6          2HO*        A   6  13.953   0.705   3.847
   62    H1*    A   6           H1*        A   6  16.200  -1.741   3.511
   63    H8     A   6           H8         A   6  16.095  -1.383  -0.340
   64   1H6     A   6          1H6         A   6  22.228  -1.047  -0.142
   65   2H6     A   6          2H6         A   6  20.825  -1.093  -1.184
   66    H2     A   6           H2         A   6  20.716  -1.291   4.088
   67   1H5*    A   7          1H5*        A   7  12.480   2.801   4.444
   68   2H5*    A   7          2H5*        A   7  12.892   4.301   3.584
   69    H4*    A   7           H4*        A   7  14.185   3.458   5.831
   70    H3*    A   7           H3*        A   7  15.337   4.944   3.417
   71   1H2*    A   7          1H2*        A   7  17.402   4.998   4.575
   72   2HO*    A   7          2HO*        A   7  17.577   4.501   6.772
   73    H1*    A   7           H1*        A   7  17.243   2.409   5.573
   74    H8     A   7           H8         A   7  16.277   3.047   1.885
   75   1H6     A   7          1H6         A   7  22.142   1.749   0.523
   76   2H6     A   7          2H6         A   7  20.565   2.119  -0.136
   77    H2     A   7           H2         A   7  21.731   1.766   4.999
   78   1H5*    G   8          1H5*        G   8  16.373   8.070   6.821
   79   2H5*    G   8          2H5*        G   8  16.592   9.534   5.826
   80    H4*    G   8           H4*        G   8  18.589   8.547   7.250
   81    H3*    G   8           H3*        G   8  18.818   9.266   4.283
   82   1H2*    G   8          1H2*        G   8  21.146   8.875   4.499
   83   2HO*    G   8          2HO*        G   8  22.156   8.649   6.501
   84    H1*    G   8           H1*        G   8  20.886   6.599   6.072
   85    H8     G   8           H8         G   8  18.405   6.683   3.177
   86    H1     G   8           H1         G   8  24.205   4.705   1.399
   87   1H2     G   8          1H2         G   8  25.178   5.663   4.613
   88   2H2     G   8          2H2         G   8  25.650   4.987   3.071
   89   1H5*    G   9          1H5*        G   9  21.926  12.189   5.956
   90   2H5*    G   9          2H5*        G   9  21.905  13.511   4.763
   91    H4*    G   9           H4*        G   9  24.103  12.121   5.198
   92    H3*    G   9           H3*        G   9  22.961  12.625   2.411
   93   1H2*    G   9          1H2*        G   9  24.987  11.686   1.581
   94   2HO*    G   9          2HO*        G   9  26.489  12.628   2.965
   95    H1*    G   9           H1*        G   9  25.052   9.584   3.381
   96    H8     G   9           H8         G   9  21.480   9.877   2.329
   97    H1     G   9           H1         G   9  25.041   7.397  -2.353
   98   1H2     G   9          1H2         G   9  27.757   8.417  -0.407
   99   2H2     G   9          2H2         G   9  27.202   7.643  -1.874
  100   1H5*    A  10          1H5*        A  10  26.399  15.451   1.868
  101   2H5*    A  10          2H5*        A  10  25.927  16.517   0.533
  102    H4*    A  10           H4*        A  10  27.722  14.640   0.113
  103    H3*    A  10           H3*        A  10  25.307  15.215  -1.667
  104   1H2*    A  10          1H2*        A  10  26.031  13.525  -3.112
  105   2HO*    A  10          2HO*        A  10  28.218  14.050  -3.267
  106    H1*    A  10           H1*        A  10  26.888  11.718  -1.219
  107    H8     A  10           H8         A  10  23.660  12.452   0.163
  108   1H6     A  10          1H6         A  10  20.824   9.954  -4.710
  109   2H6     A  10          2H6         A  10  20.622  10.492  -3.057
  110    H2     A  10           H2         A  10  25.132  10.685  -5.805
  111   1H5*    U  11          1H5*        U  11  26.717  13.893  -4.999
  112   2H5*    U  11          2H5*        U  11  27.653  15.303  -5.514
  113    H4*    U  11           H4*        U  11  26.566  14.494  -7.488
  114    H3*    U  11           H3*        U  11  26.049  17.075  -6.698
  115   1H2*    U  11          1H2*        U  11  24.025  16.672  -5.550
  116   2HO*    U  11          2HO*        U  11  23.554  18.193  -7.205
  117    H1*    U  11           H1*        U  11  23.090  14.833  -7.768
  118    H3     U  11           H3         U  11  19.422  13.555  -5.531
  119    H5     U  11           H5         U  11  22.114  14.423  -2.405
  120    H6     U  11           H6         U  11  23.779  14.986  -4.074
  121   1H5*    U  12          1H5*        U  12  27.717  14.296  -9.336
  122   2H5*    U  12          2H5*        U  12  28.177  14.478 -11.029
  123    H4*    U  12           H4*        U  12  26.663  12.379  -9.816
  124    H3*    U  12           H3*        U  12  28.291  12.697 -11.971
  125   1H2*    U  12          1H2*        U  12  26.843  13.797 -13.384
  126   2HO*    U  12          2HO*        U  12  27.112  12.139 -14.723
  127    H1*    U  12           H1*        U  12  24.426  12.204 -12.651
  128    H3     U  12           H3         U  12  22.551  15.134 -15.612
  129    H5     U  12           H5         U  12  24.011  17.578 -12.500
  130    H6     U  12           H6         U  12  25.080  15.619 -11.547
  131   1H5*    A  13          1H5*        A  13  29.297   7.355 -12.876
  132   2H5*    A  13          2H5*        A  13  27.682   6.691 -13.180
  133    H4*    A  13           H4*        A  13  28.980   7.148 -10.648
  134    H3*    A  13           H3*        A  13  27.117   5.391 -11.617
  135   1H2*    A  13          1H2*        A  13  25.296   6.891 -11.722
  136   2HO*    A  13          2HO*        A  13  23.975   6.452  -9.929
  137    H1*    A  13           H1*        A  13  26.064   8.069  -9.050
  138    H8     A  13           H8         A  13  24.834   8.960 -12.641
  139   1H6     A  13          1H6         A  13  21.697  13.433  -9.798
  140   2H6     A  13          2H6         A  13  21.899  12.574 -11.308
  141    H2     A  13           H2         A  13  24.535  11.534  -6.863
  142   1H5*    C  14          1H5*        C  14  30.007   4.274  -9.042
  143   2H5*    C  14          2H5*        C  14  30.227   3.125  -7.714
  144    H4*    C  14           H4*        C  14  31.165   5.446  -7.279
  145    H3*    C  14           H3*        C  14  29.044   4.197  -5.482
  146   1H2*    C  14          1H2*        C  14  29.137   6.079  -4.074
  147   2HO*    C  14          2HO*        C  14  31.482   6.910  -5.483
  148    H1*    C  14           H1*        C  14  29.370   8.009  -6.060
  149   1H4     C  14          1H4         C  14  22.889   6.794  -5.716
  150   2H4     C  14          2H4         C  14  23.206   7.733  -4.274
  151    H5     C  14           H5         C  14  24.643   6.032  -7.216
  152    H6     C  14           H6         C  14  27.071   5.843  -7.514
  153   1H5*    C  15          1H5*        C  15  32.511   4.208  -2.600
  154   2H5*    C  15          2H5*        C  15  32.554   2.608  -1.831
  155    H4*    C  15           H4*        C  15  32.298   4.530  -0.202
  156    H3*    C  15           H3*        C  15  30.138   2.391  -0.441
  157   1H2*    C  15          1H2*        C  15  28.954   3.404   1.318
  158   2HO*    C  15          2HO*        C  15  29.881   4.916   2.706
  159    H1*    C  15           H1*        C  15  29.426   6.048   0.584
  160   1H4     C  15          1H4         C  15  24.243   3.922  -2.986
  161   2H4     C  15          2H4         C  15  23.564   4.270  -1.413
  162    H5     C  15           H5         C  15  26.608   3.997  -3.448
  163    H6     C  15           H6         C  15  28.827   4.430  -2.508
  164   1H5*    U  16          1H5*        U  16  30.824   2.266   3.816
  165   2H5*    U  16          2H5*        U  16  30.908   0.558   4.293
  166    H4*    U  16           H4*        U  16  29.085   2.070   5.401
  167    H3*    U  16           H3*        U  16  28.450  -0.611   4.067
  168   1H2*    U  16          1H2*        U  16  26.265  -0.397   4.964
  169   2HO*    U  16          2HO*        U  16  26.740   0.327   7.044
  170    H1*    U  16           H1*        U  16  26.020   2.317   4.398
  171    H3     U  16           H3         U  16  23.076  -0.300   1.903
  172    H5     U  16           H5         U  16  26.642  -0.055  -0.339
  173    H6     U  16           H6         U  16  27.714   0.956   1.583
  174   1H5*    A  17          1H5*        A  17  27.224  -2.125   8.285
  175   2H5*    A  17          2H5*        A  17  27.737  -3.813   8.075
  176    H4*    A  17           H4*        A  17  25.215  -3.354   8.484
  177    H3*    A  17           H3*        A  17  26.204  -5.010   6.129
  178   1H2*    A  17          1H2*        A  17  23.920  -5.534   5.741
  179   2HO*    A  17          2HO*        A  17  23.202  -4.232   8.171
  180    H1*    A  17           H1*        A  17  22.952  -2.981   6.237
  181    H8     A  17           H8         A  17  26.052  -2.683   4.123
  182   1H6     A  17          1H6         A  17  22.612  -4.013  -0.814
  183   2H6     A  17          2H6         A  17  24.172  -3.442  -0.262
  184    H2     A  17           H2         A  17  20.138  -4.808   2.856
  185   1H5*    U  18          1H5*        U  18  23.855  -7.852   7.885
  186   2H5*    U  18          2H5*        U  18  24.511  -9.484   7.639
  187    H4*    U  18           H4*        U  18  22.342  -9.011   6.401
  188    H3*    U  18           H3*        U  18  24.882  -9.720   4.854
  189   1H2*    U  18          1H2*        U  18  23.594  -9.776   2.883
  190   2HO*    U  18          2HO*        U  18  21.230  -9.562   4.470
  191    H1*    U  18           H1*        U  18  22.021  -7.560   3.473
  192    H3     U  18           H3         U  18  24.701  -6.737  -0.212
  193    H5     U  18           H5         U  18  27.066  -5.796   3.153
  194    H6     U  18           H6         U  18  25.338  -6.745   4.565
  195   1H5*    G  19          1H5*        G  19  22.754 -14.246   3.795
  196   2H5*    G  19          2H5*        G  19  24.423 -14.858   3.672
  197    H4*    G  19           H4*        G  19  22.754 -15.055   1.635
  198    H3*    G  19           H3*        G  19  25.584 -13.911   1.400
  199   1H2*    G  19          1H2*        G  19  25.247 -13.898  -0.946
  200   2HO*    G  19          2HO*        G  19  22.786 -15.296  -0.589
  201    H1*    G  19           H1*        G  19  22.627 -12.983  -0.837
  202    H8     G  19           H8         G  19  24.965 -11.157   1.566
  203    H1     G  19           H1         G  19  25.304  -8.921  -4.397
  204   1H2     G  19          1H2         G  19  23.316 -11.665  -5.222
  205   2H2     G  19          2H2         G  19  24.160 -10.236  -5.776
  206   1H5*    C  20          1H5*        C  20  25.623 -17.469  -1.534
  207   2H5*    C  20          2H5*        C  20  27.290 -18.069  -1.410
  208    H4*    C  20           H4*        C  20  26.480 -17.454  -3.766
  209    H3*    C  20           H3*        C  20  28.957 -16.115  -2.566
  210   1H2*    C  20          1H2*        C  20  29.323 -15.182  -4.717
  211   2HO*    C  20          2HO*        C  20  28.239 -15.905  -6.553
  212    H1*    C  20           H1*        C  20  26.648 -14.607  -5.229
  213   1H4     C  20          1H4         C  20  29.167  -9.565  -1.710
  214   2H4     C  20          2H4         C  20  29.402  -9.132  -3.388
  215    H5     C  20           H5         C  20  28.301 -11.706  -1.007
  216    H6     C  20           H6         C  20  27.476 -13.882  -1.762
  217   1H5*    C  21          1H5*        C  21  30.055 -18.432  -6.281
  218   2H5*    C  21          2H5*        C  21  31.746 -18.963  -6.189
  219    H4*    C  21           H4*        C  21  30.974 -17.499  -8.230
  220    H3*    C  21           H3*        C  21  33.470 -16.987  -6.544
  221   1H2*    C  21          1H2*        C  21  34.036 -15.228  -8.010
  222   2HO*    C  21          2HO*        C  21  33.657 -16.218  -9.992
  223    H1*    C  21           H1*        C  21  31.449 -14.255  -8.358
  224   1H4     C  21          1H4         C  21  33.919 -11.533  -2.820
  225   2H4     C  21          2H4         C  21  34.240 -10.386  -4.100
  226    H5     C  21           H5         C  21  32.964 -13.714  -3.208
  227    H6     C  21           H6         C  21  32.113 -15.260  -4.901
  228    H3T    C  21           H3T        C  21  33.008 -18.053  -9.168
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  39.436  -5.118  -7.899
    2   2H5*    G   1          2H5*        G   1  38.163  -3.875  -7.771
    3    H4*    G   1           H4*        G   1  37.928  -5.415  -9.758
    4    H3*    G   1           H3*        G   1  35.813  -5.467  -7.564
    5   1H2*    G   1          1H2*        G   1  34.574  -7.039  -8.799
    6   2HO*    G   1          2HO*        G   1  34.967  -7.453 -10.989
    7    H1*    G   1           H1*        G   1  36.713  -8.541  -9.724
    8    H8     G   1           H8         G   1  37.342  -7.854  -6.095
    9    H1     G   1           H1         G   1  32.879 -12.348  -6.885
   10   1H2     G   1          1H2         G   1  32.899 -11.352 -10.231
   11   2H2     G   1          2H2         G   1  32.230 -12.415  -9.012
   12    H5T    G   1           H5T        G   1  38.656  -4.903  -5.770
   13   1H5*    G   2          1H5*        G   2  33.549  -4.550 -11.399
   14   2H5*    G   2          2H5*        G   2  32.170  -3.514 -10.945
   15    H4*    G   2           H4*        G   2  31.729  -5.786 -12.161
   16    H3*    G   2           H3*        G   2  30.391  -4.964  -9.548
   17   1H2*    G   2          1H2*        G   2  29.126  -6.947  -9.588
   18   2HO*    G   2          2HO*        G   2  28.469  -6.936 -11.744
   19    H1*    G   2           H1*        G   2  31.134  -8.627 -10.518
   20    H8     G   2           H8         G   2  32.560  -6.384  -7.846
   21    H1     G   2           H1         G   2  29.112 -11.142  -5.361
   22   1H2     G   2          1H2         G   2  28.063 -11.694  -8.644
   23   2H2     G   2          2H2         G   2  27.969 -12.177  -6.964
   24   1H5*    C   3          1H5*        C   3  26.521  -4.685 -12.433
   25   2H5*    C   3          2H5*        C   3  25.589  -3.476 -11.527
   26    H4*    C   3           H4*        C   3  24.569  -5.871 -11.884
   27    H3*    C   3           H3*        C   3  24.685  -4.378  -9.225
   28   1H2*    C   3          1H2*        C   3  23.533  -6.161  -8.207
   29   2HO*    C   3          2HO*        C   3  22.997  -7.201 -10.815
   30    H1*    C   3           H1*        C   3  24.798  -8.228  -9.568
   31   1H4     C   3          1H4         C   3  28.567  -6.581  -4.340
   32   2H4     C   3          2H4         C   3  27.638  -7.980  -3.851
   33    H5     C   3           H5         C   3  28.261  -5.468  -6.457
   34    H6     C   3           H6         C   3  27.013  -5.462  -8.560
   35   1H5*    G   4          1H5*        G   4  20.284  -5.241 -10.365
   36   2H5*    G   4          2H5*        G   4  19.220  -4.073  -9.539
   37    H4*    G   4           H4*        G   4  18.879  -6.672  -9.224
   38    H3*    G   4           H3*        G   4  18.991  -4.624  -6.963
   39   1H2*    G   4          1H2*        G   4  18.578  -6.354  -5.416
   40   2HO*    G   4          2HO*        G   4  17.955  -8.071  -7.616
   41    H1*    G   4           H1*        G   4  20.141  -8.293  -6.628
   42    H8     G   4           H8         G   4  21.991  -4.988  -6.500
   43    H1     G   4           H1         G   4  22.217  -8.161  -0.967
   44   1H2     G   4          1H2         G   4  20.799  -9.872  -1.016
   45   2H2     G   4          2H2         G   4  19.804 -10.227  -2.411
   46   1H5*    U   5          1H5*        U   5  14.502  -6.216  -5.488
   47   2H5*    U   5          2H5*        U   5  14.066  -4.501  -5.340
   48    H4*    U   5           H4*        U   5  14.002  -6.009  -3.193
   49    H3*    U   5           H3*        U   5  15.333  -3.273  -3.406
   50   1H2*    U   5          1H2*        U   5  15.929  -3.394  -1.134
   51   2HO*    U   5          2HO*        U   5  14.174  -5.637  -0.897
   52    H1*    U   5           H1*        U   5  16.567  -6.085  -1.056
   53    H3     U   5           H3         U   5  20.456  -3.824  -0.234
   54    H5     U   5           H5         U   5  19.988  -3.702  -4.425
   55    H6     U   5           H6         U   5  17.758  -4.590  -4.137
   56   1H5*    A   6          1H5*        A   6  12.771  -3.502   0.328
   57   2H5*    A   6          2H5*        A   6  11.806  -2.013   0.323
   58    H4*    A   6           H4*        A   6  12.851  -2.378   2.535
   59    H3*    A   6           H3*        A   6  13.653  -0.034   0.824
   60   1H2*    A   6          1H2*        A   6  15.417   0.592   2.150
   61   2HO*    A   6          2HO*        A   6  15.491   0.063   4.407
   62    H1*    A   6           H1*        A   6  16.093  -1.881   3.340
   63    H8     A   6           H8         A   6  15.887  -1.039  -0.431
   64   1H6     A   6          1H6         A   6  22.017  -0.649  -0.344
   65   2H6     A   6          2H6         A   6  20.586  -0.582  -1.347
   66    H2     A   6           H2         A   6  20.620  -1.425   3.863
   67   1H5*    A   7          1H5*        A   7  12.901   4.234   3.809
   68   2H5*    A   7          2H5*        A   7  14.064   3.501   2.680
   69    H4*    A   7           H4*        A   7  14.225   3.393   5.731
   70    H3*    A   7           H3*        A   7  15.701   5.022   3.617
   71   1H2*    A   7          1H2*        A   7  17.672   4.861   4.898
   72   2HO*    A   7          2HO*        A   7  16.772   5.343   6.935
   73    H1*    A   7           H1*        A   7  17.352   2.226   5.702
   74    H8     A   7           H8         A   7  16.560   2.965   2.014
   75   1H6     A   7          1H6         A   7  22.490   1.777   0.853
   76   2H6     A   7          2H6         A   7  20.931   2.129   0.141
   77    H2     A   7           H2         A   7  21.927   1.772   5.307
   78   1H5*    G   8          1H5*        G   8  16.472   8.259   6.832
   79   2H5*    G   8          2H5*        G   8  16.633   9.663   5.744
   80    H4*    G   8           H4*        G   8  18.711   8.744   7.098
   81    H3*    G   8           H3*        G   8  18.753   9.307   4.089
   82   1H2*    G   8          1H2*        G   8  21.089   8.899   4.169
   83   2HO*    G   8          2HO*        G   8  22.229   8.755   6.101
   84    H1*    G   8           H1*        G   8  20.917   6.688   5.825
   85    H8     G   8           H8         G   8  18.159   6.537   3.242
   86    H1     G   8           H1         G   8  23.826   4.893   0.824
   87   1H2     G   8          1H2         G   8  25.116   6.083   3.841
   88   2H2     G   8          2H2         G   8  25.442   5.365   2.280
   89   1H5*    G   9          1H5*        G   9  22.140  12.081   5.364
   90   2H5*    G   9          2H5*        G   9  22.078  13.365   4.133
   91    H4*    G   9           H4*        G   9  24.228  11.864   4.413
   92    H3*    G   9           H3*        G   9  22.846  12.378   1.741
   93   1H2*    G   9          1H2*        G   9  24.676  11.263   0.714
   94   2HO*    G   9          2HO*        G   9  26.558  10.740   1.848
   95    H1*    G   9           H1*        G   9  24.813   9.199   2.562
   96    H8     G   9           H8         G   9  21.168   9.831   1.900
   97    H1     G   9           H1         G   9  23.879   6.618  -2.901
   98   1H2     G   9          1H2         G   9  26.897   7.440  -1.342
   99   2H2     G   9          2H2         G   9  26.097   6.642  -2.678
  100   1H5*    A  10          1H5*        A  10  26.396  15.054   0.625
  101   2H5*    A  10          2H5*        A  10  25.684  16.046  -0.657
  102    H4*    A  10           H4*        A  10  27.434  14.185  -1.287
  103    H3*    A  10           H3*        A  10  24.734  14.588  -2.668
  104   1H2*    A  10          1H2*        A  10  25.350  12.896  -4.167
  105   2HO*    A  10          2HO*        A  10  27.497  13.541  -4.577
  106    H1*    A  10           H1*        A  10  26.497  11.199  -2.335
  107    H8     A  10           H8         A  10  23.448  11.995  -0.574
  108   1H6     A  10          1H6         A  10  20.062   9.154  -4.868
  109   2H6     A  10          2H6         A  10  20.061   9.809  -3.245
  110    H2     A  10           H2         A  10  24.187   9.819  -6.542
  111   1H5*    U  11          1H5*        U  11  24.590  13.933  -5.464
  112   2H5*    U  11          2H5*        U  11  26.099  13.416  -6.232
  113    H4*    U  11           H4*        U  11  25.247  13.624  -8.366
  114    H3*    U  11           H3*        U  11  24.564  16.202  -7.699
  115   1H2*    U  11          1H2*        U  11  22.607  15.710  -6.488
  116   2HO*    U  11          2HO*        U  11  21.619  15.814  -9.172
  117    H1*    U  11           H1*        U  11  21.717  13.712  -8.579
  118    H3     U  11           H3         U  11  18.150  12.564  -6.102
  119    H5     U  11           H5         U  11  21.048  13.413  -3.161
  120    H6     U  11           H6         U  11  22.612  13.939  -4.937
  121   1H5*    U  12          1H5*        U  12  26.277  13.418 -10.353
  122   2H5*    U  12          2H5*        U  12  26.621  13.444 -12.085
  123    H4*    U  12           H4*        U  12  25.119  11.510 -10.596
  124    H3*    U  12           H3*        U  12  26.612  11.591 -12.872
  125   1H2*    U  12          1H2*        U  12  25.111  12.630 -14.277
  126   2HO*    U  12          2HO*        U  12  24.113   9.964 -14.414
  127    H1*    U  12           H1*        U  12  22.698  11.187 -13.260
  128    H3     U  12           H3         U  12  20.727  13.919 -16.344
  129    H5     U  12           H5         U  12  22.438  16.561 -13.538
  130    H6     U  12           H6         U  12  23.512  14.654 -12.489
  131   1H5*    A  13          1H5*        A  13  27.436   6.186 -13.291
  132   2H5*    A  13          2H5*        A  13  25.824   5.532 -13.635
  133    H4*    A  13           H4*        A  13  27.040   6.033 -11.069
  134    H3*    A  13           H3*        A  13  25.202   4.255 -12.046
  135   1H2*    A  13          1H2*        A  13  23.388   5.778 -12.268
  136   2HO*    A  13          2HO*        A  13  22.617   4.170 -10.862
  137    H1*    A  13           H1*        A  13  24.083   7.005  -9.601
  138    H8     A  13           H8         A  13  23.080   7.912 -13.258
  139   1H6     A  13          1H6         A  13  19.843  12.415 -10.555
  140   2H6     A  13          2H6         A  13  20.156  11.603 -12.073
  141    H2     A  13           H2         A  13  22.351  10.321  -7.452
  142   1H5*    C  14          1H5*        C  14  28.276   3.794  -9.975
  143   2H5*    C  14          2H5*        C  14  28.948   2.685  -8.777
  144    H4*    C  14           H4*        C  14  29.638   5.026  -8.331
  145    H3*    C  14           H3*        C  14  27.801   3.633  -6.341
  146   1H2*    C  14          1H2*        C  14  27.874   5.536  -4.959
  147   2HO*    C  14          2HO*        C  14  29.974   6.578  -6.592
  148    H1*    C  14           H1*        C  14  27.753   7.453  -6.966
  149   1H4     C  14          1H4         C  14  21.459   5.748  -6.046
  150   2H4     C  14          2H4         C  14  21.831   6.727  -4.645
  151    H5     C  14           H5         C  14  23.131   5.113  -7.709
  152    H6     C  14           H6         C  14  25.538   5.081  -8.195
  153   1H5*    C  15          1H5*        C  15  31.802   3.586  -3.737
  154   2H5*    C  15          2H5*        C  15  31.725   1.939  -3.073
  155    H4*    C  15           H4*        C  15  31.819   3.866  -1.359
  156    H3*    C  15           H3*        C  15  29.621   1.752  -1.387
  157   1H2*    C  15          1H2*        C  15  28.669   2.717   0.527
  158   2HO*    C  15          2HO*        C  15  29.777   4.215   1.821
  159    H1*    C  15           H1*        C  15  29.074   5.381  -0.161
  160   1H4     C  15          1H4         C  15  23.475   3.478  -3.173
  161   2H4     C  15          2H4         C  15  23.002   3.662  -1.499
  162    H5     C  15           H5         C  15  25.763   3.632  -3.923
  163    H6     C  15           H6         C  15  28.082   4.016  -3.234
  164   1H5*    U  16          1H5*        U  16  31.068   1.554   2.753
  165   2H5*    U  16          2H5*        U  16  30.979  -0.129   3.312
  166    H4*    U  16           H4*        U  16  29.549   1.714   4.540
  167    H3*    U  16           H3*        U  16  28.462  -0.982   3.586
  168   1H2*    U  16          1H2*        U  16  26.419  -0.441   4.673
  169   2HO*    U  16          2HO*        U  16  26.242   1.337   6.076
  170    H1*    U  16           H1*        U  16  26.344   2.195   3.835
  171    H3     U  16           H3         U  16  22.997  -0.331   1.831
  172    H5     U  16           H5         U  16  26.399  -0.765  -0.624
  173    H6     U  16           H6         U  16  27.703   0.345   1.086
  174   1H5*    A  17          1H5*        A  17  27.586  -2.248   8.117
  175   2H5*    A  17          2H5*        A  17  28.017  -3.941   7.797
  176    H4*    A  17           H4*        A  17  25.562  -3.373   8.521
  177    H3*    A  17           H3*        A  17  26.287  -5.126   6.144
  178   1H2*    A  17          1H2*        A  17  23.966  -5.568   5.897
  179   2HO*    A  17          2HO*        A  17  23.057  -5.877   7.809
  180    H1*    A  17           H1*        A  17  23.106  -2.984   6.335
  181    H8     A  17           H8         A  17  26.191  -2.821   4.178
  182   1H6     A  17          1H6         A  17  22.692  -4.193  -0.693
  183   2H6     A  17          2H6         A  17  24.274  -3.670  -0.162
  184    H2     A  17           H2         A  17  20.201  -4.778   3.004
  185   1H5*    U  18          1H5*        U  18  23.866  -7.923   8.029
  186   2H5*    U  18          2H5*        U  18  24.512  -9.545   7.707
  187    H4*    U  18           H4*        U  18  22.271  -8.964   6.584
  188    H3*    U  18           H3*        U  18  24.718  -9.893   5.017
  189   1H2*    U  18          1H2*        U  18  23.442  -9.868   3.044
  190   2HO*    U  18          2HO*        U  18  21.580 -10.903   3.795
  191    H1*    U  18           H1*        U  18  22.004  -7.550   3.579
  192    H3     U  18           H3         U  18  24.811  -7.025  -0.091
  193    H5     U  18           H5         U  18  27.104  -5.999   3.296
  194    H6     U  18           H6         U  18  25.314  -6.839   4.696
  195   1H5*    G  19          1H5*        G  19  21.700 -13.686   4.057
  196   2H5*    G  19          2H5*        G  19  23.018 -14.846   3.744
  197    H4*    G  19           H4*        G  19  21.194 -14.338   1.901
  198    H3*    G  19           H3*        G  19  24.210 -14.307   1.405
  199   1H2*    G  19          1H2*        G  19  23.759 -13.959  -0.884
  200   2HO*    G  19          2HO*        G  19  20.988 -14.428  -0.391
  201    H1*    G  19           H1*        G  19  21.665 -12.178  -0.528
  202    H8     G  19           H8         G  19  24.593 -11.461   1.797
  203    H1     G  19           H1         G  19  25.490  -9.131  -4.073
  204   1H2     G  19          1H2         G  19  22.643 -10.962  -4.912
  205   2H2     G  19          2H2         G  19  23.914  -9.886  -5.446
  206   1H5*    C  20          1H5*        C  20  22.670 -17.268  -1.724
  207   2H5*    C  20          2H5*        C  20  24.058 -18.327  -2.040
  208    H4*    C  20           H4*        C  20  23.080 -16.887  -4.006
  209    H3*    C  20           H3*        C  20  26.055 -17.003  -3.294
  210   1H2*    C  20          1H2*        C  20  26.454 -15.747  -5.261
  211   2HO*    C  20          2HO*        C  20  23.713 -16.067  -5.994
  212    H1*    C  20           H1*        C  20  24.270 -14.045  -4.963
  213   1H4     C  20          1H4         C  20  29.305 -11.601  -1.373
  214   2H4     C  20          2H4         C  20  29.453 -10.866  -2.953
  215    H5     C  20           H5         C  20  27.679 -13.310  -0.859
  216    H6     C  20           H6         C  20  25.851 -14.673  -1.749
  217   1H5*    C  21          1H5*        C  21  25.477 -18.423  -7.539
  218   2H5*    C  21          2H5*        C  21  26.764 -19.574  -7.950
  219    H4*    C  21           H4*        C  21  26.456 -17.419  -9.423
  220    H3*    C  21           H3*        C  21  29.117 -18.409  -8.293
  221   1H2*    C  21          1H2*        C  21  30.201 -16.677  -9.470
  222   2HO*    C  21          2HO*        C  21  27.749 -16.133 -10.835
  223    H1*    C  21           H1*        C  21  28.273 -14.719  -9.010
  224   1H4     C  21          1H4         C  21  32.358 -14.813  -3.766
  225   2H4     C  21          2H4         C  21  32.972 -13.568  -4.831
  226    H5     C  21           H5         C  21  30.518 -16.264  -4.352
  227    H6     C  21           H6         C  21  28.876 -16.825  -6.076
  228    H3T    C  21           H3T        C  21  27.884 -18.447 -10.883
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  37.629  -6.012 -10.837
    2   2H5*    G   1          2H5*        G   1  37.543  -7.240  -9.546
    3    H4*    G   1           H4*        G   1  36.953  -7.638 -12.537
    4    H3*    G   1           H3*        G   1  35.176  -7.253 -10.090
    5   1H2*    G   1          1H2*        G   1  33.613  -8.761 -10.990
    6   2HO*    G   1          2HO*        G   1  33.371  -8.211 -13.080
    7    H1*    G   1           H1*        G   1  35.426 -10.581 -12.031
    8    H8     G   1           H8         G   1  36.513  -9.524  -8.565
    9    H1     G   1           H1         G   1  31.854 -13.884  -8.415
   10   1H2     G   1          1H2         G   1  31.581 -13.266 -11.840
   11   2H2     G   1          2H2         G   1  30.998 -14.157 -10.452
   12    H5T    G   1           H5T        G   1  39.206  -8.357 -10.568
   13   1H5*    G   2          1H5*        G   2  32.397  -6.276 -13.732
   14   2H5*    G   2          2H5*        G   2  31.434  -4.910 -13.113
   15    H4*    G   2           H4*        G   2  30.165  -6.933 -14.091
   16    H3*    G   2           H3*        G   2  29.702  -5.940 -11.244
   17   1H2*    G   2          1H2*        G   2  27.991  -7.536 -10.990
   18   2HO*    G   2          2HO*        G   2  27.066  -8.623 -12.743
   19    H1*    G   2           H1*        G   2  29.250  -9.610 -12.346
   20    H8     G   2           H8         G   2  31.687  -7.864 -10.032
   21    H1     G   2           H1         G   2  27.923 -11.974  -6.922
   22   1H2     G   2          1H2         G   2  26.119 -12.110  -9.909
   23   2H2     G   2          2H2         G   2  26.280 -12.664  -8.258
   24   1H5*    C   3          1H5*        C   3  25.610  -5.135 -13.291
   25   2H5*    C   3          2H5*        C   3  24.858  -3.841 -12.335
   26    H4*    C   3           H4*        C   3  23.689  -6.193 -12.455
   27    H3*    C   3           H3*        C   3  24.203  -4.625  -9.883
   28   1H2*    C   3          1H2*        C   3  23.035  -6.306  -8.705
   29   2HO*    C   3          2HO*        C   3  22.214  -7.426 -11.201
   30    H1*    C   3           H1*        C   3  24.045  -8.470 -10.131
   31   1H4     C   3          1H4         C   3  28.344  -6.942  -5.288
   32   2H4     C   3          2H4         C   3  27.393  -8.284  -4.696
   33    H5     C   3           H5         C   3  27.918  -5.851  -7.399
   34    H6     C   3           H6         C   3  26.491  -5.812  -9.385
   35   1H5*    G   4          1H5*        G   4  19.795  -5.421 -10.550
   36   2H5*    G   4          2H5*        G   4  18.758  -4.244  -9.703
   37    H4*    G   4           H4*        G   4  18.494  -6.838  -9.278
   38    H3*    G   4           H3*        G   4  18.694  -4.713  -7.095
   39   1H2*    G   4          1H2*        G   4  18.396  -6.406  -5.476
   40   2HO*    G   4          2HO*        G   4  16.672  -7.516  -6.423
   41    H1*    G   4           H1*        G   4  19.930  -8.350  -6.716
   42    H8     G   4           H8         G   4  21.737  -5.021  -6.786
   43    H1     G   4           H1         G   4  22.305  -8.016  -1.176
   44   1H2     G   4          1H2         G   4  20.890  -9.729  -1.085
   45   2H2     G   4          2H2         G   4  19.814 -10.129  -2.404
   46   1H5*    U   5          1H5*        U   5  14.268  -6.405  -5.446
   47   2H5*    U   5          2H5*        U   5  13.819  -4.701  -5.228
   48    H4*    U   5           H4*        U   5  13.874  -6.290  -3.128
   49    H3*    U   5           H3*        U   5  15.113  -3.507  -3.306
   50   1H2*    U   5          1H2*        U   5  15.809  -3.680  -1.064
   51   2HO*    U   5          2HO*        U   5  14.978  -5.216   0.359
   52    H1*    U   5           H1*        U   5  16.533  -6.350  -1.105
   53    H3     U   5           H3         U   5  20.376  -3.971  -0.386
   54    H5     U   5           H5         U   5  19.724  -3.758  -4.545
   55    H6     U   5           H6         U   5  17.540  -4.731  -4.188
   56   1H5*    A   6          1H5*        A   6  12.938  -3.838   0.647
   57   2H5*    A   6          2H5*        A   6  11.821  -2.459   0.601
   58    H4*    A   6           H4*        A   6  12.956  -2.502   2.767
   59    H3*    A   6           H3*        A   6  13.626  -0.307   0.816
   60   1H2*    A   6          1H2*        A   6  15.398   0.501   2.025
   61   2HO*    A   6          2HO*        A   6  14.226  -0.662   4.355
   62    H1*    A   6           H1*        A   6  16.129  -1.819   3.493
   63    H8     A   6           H8         A   6  16.002  -1.319  -0.348
   64   1H6     A   6          1H6         A   6  22.136  -0.954  -0.151
   65   2H6     A   6          2H6         A   6  20.730  -0.979  -1.191
   66    H2     A   6           H2         A   6  20.636  -1.326   4.075
   67   1H5*    A   7          1H5*        A   7  12.653   4.152   3.461
   68   2H5*    A   7          2H5*        A   7  13.863   3.382   2.407
   69    H4*    A   7           H4*        A   7  13.987   3.564   5.456
   70    H3*    A   7           H3*        A   7  15.443   5.005   3.200
   71   1H2*    A   7          1H2*        A   7  17.408   5.022   4.498
   72   2HO*    A   7          2HO*        A   7  17.409   4.600   6.716
   73    H1*    A   7           H1*        A   7  17.152   2.476   5.563
   74    H8     A   7           H8         A   7  16.385   2.947   1.811
   75   1H6     A   7          1H6         A   7  22.301   1.585   0.800
   76   2H6     A   7          2H6         A   7  20.759   1.930   0.049
   77    H2     A   7           H2         A   7  21.678   1.821   5.244
   78   1H5*    G   8          1H5*        G   8  16.259   8.226   6.586
   79   2H5*    G   8          2H5*        G   8  16.523   9.631   5.519
   80    H4*    G   8           H4*        G   8  18.455   8.729   7.081
   81    H3*    G   8           H3*        G   8  18.815   9.274   4.090
   82   1H2*    G   8          1H2*        G   8  21.132   8.901   4.430
   83   2HO*    G   8          2HO*        G   8  21.438  10.040   6.359
   84    H1*    G   8           H1*        G   8  20.797   6.715   6.113
   85    H8     G   8           H8         G   8  18.443   6.679   3.105
   86    H1     G   8           H1         G   8  24.256   4.438   1.737
   87   1H2     G   8          1H2         G   8  25.116   5.582   4.923
   88   2H2     G   8          2H2         G   8  25.635   4.797   3.448
   89   1H5*    G   9          1H5*        G   9  21.435  13.119   4.978
   90   2H5*    G   9          2H5*        G   9  20.893  13.988   3.521
   91    H4*    G   9           H4*        G   9  23.419  13.289   3.818
   92    H3*    G   9           H3*        G   9  21.796  12.687   1.301
   93   1H2*    G   9          1H2*        G   9  23.856  11.993   0.326
   94   2HO*    G   9          2HO*        G   9  25.256  12.825   2.661
   95    H1*    G   9           H1*        G   9  24.717  10.572   2.538
   96    H8     G   9           H8         G   9  21.055   9.853   2.200
   97    H1     G   9           H1         G   9  24.420   6.802  -2.280
   98   1H2     G   9          1H2         G   9  27.069   8.827  -1.236
   99   2H2     G   9          2H2         G   9  26.513   7.568  -2.317
  100   1H5*    A  10          1H5*        A  10  24.239  15.863  -0.747
  101   2H5*    A  10          2H5*        A  10  23.256  16.339  -2.142
  102    H4*    A  10           H4*        A  10  25.401  14.865  -2.516
  103    H3*    A  10           H3*        A  10  22.645  14.327  -3.718
  104   1H2*    A  10          1H2*        A  10  23.539  12.474  -4.827
  105   2HO*    A  10          2HO*        A  10  25.737  12.149  -5.131
  106    H1*    A  10           H1*        A  10  25.192  11.563  -2.819
  107    H8     A  10           H8         A  10  22.163  12.007  -0.920
  108   1H6     A  10          1H6         A  10  19.348   7.539  -4.105
  109   2H6     A  10          2H6         A  10  19.282   8.527  -2.662
  110    H2     A  10           H2         A  10  23.051   8.765  -6.360
  111   1H5*    U  11          1H5*        U  11  23.816  12.389  -6.891
  112   2H5*    U  11          2H5*        U  11  24.120  13.744  -7.989
  113    H4*    U  11           H4*        U  11  22.956  12.080  -9.285
  114    H3*    U  11           H3*        U  11  21.867  14.598  -9.081
  115   1H2*    U  11          1H2*        U  11  20.345  14.156  -7.328
  116   2HO*    U  11          2HO*        U  11  18.290  13.979  -8.303
  117    H1*    U  11           H1*        U  11  19.555  11.537  -8.624
  118    H3     U  11           H3         U  11  17.052  10.179  -5.166
  119    H5     U  11           H5         U  11  19.768  12.820  -3.316
  120    H6     U  11           H6         U  11  20.825  13.148  -5.471
  121   1H5*    U  12          1H5*        U  12  23.672  11.510 -11.307
  122   2H5*    U  12          2H5*        U  12  23.657  11.247 -13.052
  123    H4*    U  12           H4*        U  12  23.161   9.358 -10.969
  124    H3*    U  12           H3*        U  12  24.076   9.342 -13.529
  125   1H2*    U  12          1H2*        U  12  22.073   9.594 -14.640
  126   2HO*    U  12          2HO*        U  12  21.364   7.608 -15.403
  127    H1*    U  12           H1*        U  12  20.486   7.815 -12.841
  128    H3     U  12           H3         U  12  17.167   9.159 -15.673
  129    H5     U  12           H5         U  12  18.503  12.724 -13.861
  130    H6     U  12           H6         U  12  20.313  11.462 -12.852
  131   1H5*    A  13          1H5*        A  13  27.275   4.888 -12.909
  132   2H5*    A  13          2H5*        A  13  25.570   4.405 -12.928
  133    H4*    A  13           H4*        A  13  27.235   5.487 -10.669
  134    H3*    A  13           H3*        A  13  26.115   3.026 -11.111
  135   1H2*    A  13          1H2*        A  13  23.847   3.705 -11.180
  136   2HO*    A  13          2HO*        A  13  23.968   2.185  -9.483
  137    H1*    A  13           H1*        A  13  24.303   5.531  -8.818
  138    H8     A  13           H8         A  13  22.311   4.896 -12.066
  139   1H6     A  13          1H6         A  13  18.299   8.968  -9.785
  140   2H6     A  13          2H6         A  13  18.544   7.730 -10.995
  141    H2     A  13           H2         A  13  22.084   9.163  -7.360
  142   1H5*    C  14          1H5*        C  14  29.401   3.388  -8.897
  143   2H5*    C  14          2H5*        C  14  30.129   2.724  -7.426
  144    H4*    C  14           H4*        C  14  30.239   5.256  -7.633
  145    H3*    C  14           H3*        C  14  28.867   3.898  -5.273
  146   1H2*    C  14          1H2*        C  14  28.479   6.012  -4.314
  147   2HO*    C  14          2HO*        C  14  30.229   7.144  -6.270
  148    H1*    C  14           H1*        C  14  27.851   7.361  -6.663
  149   1H4     C  14          1H4         C  14  22.237   4.440  -4.750
  150   2H4     C  14          2H4         C  14  22.342   5.878  -3.760
  151    H5     C  14           H5         C  14  23.995   3.754  -6.287
  152    H6     C  14           H6         C  14  26.292   4.209  -7.021
  153   1H5*    C  15          1H5*        C  15  32.633   4.833  -2.164
  154   2H5*    C  15          2H5*        C  15  32.426   3.148  -1.643
  155    H4*    C  15           H4*        C  15  32.025   5.085   0.091
  156    H3*    C  15           H3*        C  15  30.104   2.759  -0.394
  157   1H2*    C  15          1H2*        C  15  28.821   3.544   1.424
  158   2HO*    C  15          2HO*        C  15  29.586   5.087   2.877
  159    H1*    C  15           H1*        C  15  29.033   6.246   0.792
  160   1H4     C  15          1H4         C  15  24.157   3.610  -2.890
  161   2H4     C  15          2H4         C  15  23.434   3.815  -1.310
  162    H5     C  15           H5         C  15  26.491   4.016  -3.336
  163    H6     C  15           H6         C  15  28.630   4.712  -2.374
  164   1H5*    U  16          1H5*        U  16  30.746   2.432   3.908
  165   2H5*    U  16          2H5*        U  16  30.842   0.706   4.309
  166    H4*    U  16           H4*        U  16  28.987   2.186   5.443
  167    H3*    U  16           H3*        U  16  28.420  -0.498   4.087
  168   1H2*    U  16          1H2*        U  16  26.230  -0.338   4.988
  169   2HO*    U  16          2HO*        U  16  26.713   0.385   7.074
  170    H1*    U  16           H1*        U  16  25.926   2.372   4.443
  171    H3     U  16           H3         U  16  23.028  -0.314   1.967
  172    H5     U  16           H5         U  16  26.565   0.032  -0.309
  173    H6     U  16           H6         U  16  27.628   1.066   1.607
  174   1H5*    A  17          1H5*        A  17  27.270  -2.176   8.322
  175   2H5*    A  17          2H5*        A  17  27.776  -3.847   7.995
  176    H4*    A  17           H4*        A  17  25.246  -3.361   8.473
  177    H3*    A  17           H3*        A  17  26.216  -4.994   6.094
  178   1H2*    A  17          1H2*        A  17  23.924  -5.501   5.711
  179   2HO*    A  17          2HO*        A  17  23.046  -5.939   7.649
  180    H1*    A  17           H1*        A  17  22.978  -2.947   6.234
  181    H8     A  17           H8         A  17  26.076  -2.633   4.124
  182   1H6     A  17          1H6         A  17  22.665  -3.962  -0.827
  183   2H6     A  17          2H6         A  17  24.223  -3.398  -0.266
  184    H2     A  17           H2         A  17  20.168  -4.755   2.827
  185   1H5*    U  18          1H5*        U  18  23.849  -7.943   7.820
  186   2H5*    U  18          2H5*        U  18  24.533  -9.541   7.459
  187    H4*    U  18           H4*        U  18  22.309  -8.970   6.306
  188    H3*    U  18           H3*        U  18  24.807  -9.761   4.738
  189   1H2*    U  18          1H2*        U  18  23.537  -9.706   2.759
  190   2HO*    U  18          2HO*        U  18  21.701 -10.816   3.436
  191    H1*    U  18           H1*        U  18  22.030  -7.454   3.382
  192    H3     U  18           H3         U  18  24.786  -6.691  -0.275
  193    H5     U  18           H5         U  18  27.095  -5.770   3.134
  194    H6     U  18           H6         U  18  25.334  -6.705   4.515
  195   1H5*    G  19          1H5*        G  19  21.665 -13.481   3.747
  196   2H5*    G  19          2H5*        G  19  22.920 -14.698   3.398
  197    H4*    G  19           H4*        G  19  21.022 -14.169   1.640
  198    H3*    G  19           H3*        G  19  24.007 -14.261   0.988
  199   1H2*    G  19          1H2*        G  19  23.448 -13.958  -1.283
  200   2HO*    G  19          2HO*        G  19  20.694 -14.329  -0.623
  201    H1*    G  19           H1*        G  19  21.435 -12.096  -0.867
  202    H8     G  19           H8         G  19  24.452 -11.326   1.295
  203    H1     G  19           H1         G  19  25.243  -9.426  -4.745
  204   1H2     G  19          1H2         G  19  22.328 -11.242  -5.373
  205   2H2     G  19          2H2         G  19  23.606 -10.237  -6.018
  206   1H5*    C  20          1H5*        C  20  21.882 -17.331  -1.797
  207   2H5*    C  20          2H5*        C  20  23.135 -18.525  -2.193
  208    H4*    C  20           H4*        C  20  21.957 -17.270  -4.155
  209    H3*    C  20           H3*        C  20  24.996 -17.456  -3.856
  210   1H2*    C  20          1H2*        C  20  25.169 -16.422  -5.976
  211   2HO*    C  20          2HO*        C  20  22.346 -16.699  -6.314
  212    H1*    C  20           H1*        C  20  23.099 -14.600  -5.597
  213   1H4     C  20          1H4         C  20  28.624 -12.003  -2.968
  214   2H4     C  20          2H4         C  20  28.535 -11.383  -4.600
  215    H5     C  20           H5         C  20  27.084 -13.640  -2.091
  216    H6     C  20           H6         C  20  25.132 -15.029  -2.589
  217   1H5*    C  21          1H5*        C  21  23.922 -19.254  -7.819
  218   2H5*    C  21          2H5*        C  21  25.108 -20.514  -8.215
  219    H4*    C  21           H4*        C  21  24.798 -18.486  -9.857
  220    H3*    C  21           H3*        C  21  27.483 -19.536  -8.846
  221   1H2*    C  21          1H2*        C  21  28.563 -17.983 -10.252
  222   2HO*    C  21          2HO*        C  21  26.044 -17.422 -11.482
  223    H1*    C  21           H1*        C  21  26.790 -15.876  -9.837
  224   1H4     C  21          1H4         C  21  31.258 -15.750  -4.917
  225   2H4     C  21          2H4         C  21  31.864 -14.662  -6.145
  226    H5     C  21           H5         C  21  29.290 -17.118  -5.221
  227    H6     C  21           H6         C  21  27.488 -17.730  -6.762
  228    H3T    C  21           H3T        C  21  26.290 -20.916 -10.204
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  37.605  -2.984  -5.558
    2   2H5*    G   1          2H5*        G   1  38.783  -2.296  -6.706
    3    H4*    G   1           H4*        G   1  37.461  -3.051  -8.565
    4    H3*    G   1           H3*        G   1  35.235  -3.344  -6.504
    5   1H2*    G   1          1H2*        G   1  34.311  -5.103  -7.765
    6   2HO*    G   1          2HO*        G   1  34.314  -4.442  -9.834
    7    H1*    G   1           H1*        G   1  36.696  -6.303  -8.508
    8    H8     G   1           H8         G   1  36.642  -5.276  -4.835
    9    H1     G   1           H1         G   1  33.821 -10.904  -5.882
   10   1H2     G   1          1H2         G   1  34.128 -10.087  -9.262
   11   2H2     G   1          2H2         G   1  33.586 -11.246  -8.068
   12    H5T    G   1           H5T        G   1  37.468  -0.703  -5.716
   13   1H5*    G   2          1H5*        G   2  33.071  -2.690 -10.565
   14   2H5*    G   2          2H5*        G   2  31.512  -1.939 -10.131
   15    H4*    G   2           H4*        G   2  31.559  -4.209 -11.453
   16    H3*    G   2           H3*        G   2  29.934  -3.709  -8.920
   17   1H2*    G   2          1H2*        G   2  29.033  -5.875  -9.087
   18   2HO*    G   2          2HO*        G   2  28.524  -5.900 -11.287
   19    H1*    G   2           H1*        G   2  31.353  -7.161  -9.916
   20    H8     G   2           H8         G   2  32.103  -4.753  -7.088
   21    H1     G   2           H1         G   2  29.648 -10.261  -4.995
   22   1H2     G   2          1H2         G   2  28.991 -10.894  -8.366
   23   2H2     G   2          2H2         G   2  28.891 -11.458  -6.713
   24   1H5*    C   3          1H5*        C   3  26.398  -3.852 -12.124
   25   2H5*    C   3          2H5*        C   3  25.187  -2.780 -11.390
   26    H4*    C   3           H4*        C   3  24.541  -5.277 -11.799
   27    H3*    C   3           H3*        C   3  24.191  -3.818  -9.140
   28   1H2*    C   3          1H2*        C   3  23.170  -5.747  -8.257
   29   2HO*    C   3          2HO*        C   3  23.060  -6.802 -10.912
   30    H1*    C   3           H1*        C   3  24.842  -7.610  -9.469
   31   1H4     C   3          1H4         C   3  27.749  -5.496  -3.868
   32   2H4     C   3          2H4         C   3  26.894  -6.959  -3.442
   33    H5     C   3           H5         C   3  27.615  -4.478  -6.050
   34    H6     C   3           H6         C   3  26.634  -4.643  -8.284
   35   1H5*    G   4          1H5*        G   4  19.944  -5.259 -10.393
   36   2H5*    G   4          2H5*        G   4  18.809  -4.161  -9.563
   37    H4*    G   4           H4*        G   4  18.704  -6.766  -9.163
   38    H3*    G   4           H3*        G   4  18.752  -4.682  -6.925
   39   1H2*    G   4          1H2*        G   4  18.429  -6.457  -5.391
   40   2HO*    G   4          2HO*        G   4  16.809  -7.606  -6.459
   41    H1*    G   4           H1*        G   4  20.114  -8.264  -6.648
   42    H8     G   4           H8         G   4  21.741  -4.846  -6.450
   43    H1     G   4           H1         G   4  22.225  -8.153  -1.011
   44   1H2     G   4          1H2         G   4  20.908  -9.944  -1.092
   45   2H2     G   4          2H2         G   4  19.918 -10.317  -2.484
   46   1H5*    U   5          1H5*        U   5  14.366  -6.374  -5.351
   47   2H5*    U   5          2H5*        U   5  13.884  -4.671  -5.204
   48    H4*    U   5           H4*        U   5  13.927  -6.166  -3.046
   49    H3*    U   5           H3*        U   5  15.172  -3.393  -3.312
   50   1H2*    U   5          1H2*        U   5  15.826  -3.485  -1.052
   51   2HO*    U   5          2HO*        U   5  14.158  -5.788  -0.760
   52    H1*    U   5           H1*        U   5  16.546  -6.157  -0.985
   53    H3     U   5           H3         U   5  20.382  -3.782  -0.263
   54    H5     U   5           H5         U   5  19.807  -3.676  -4.439
   55    H6     U   5           H6         U   5  17.614  -4.634  -4.097
   56   1H5*    A   6          1H5*        A   6  12.795  -3.622   0.501
   57   2H5*    A   6          2H5*        A   6  11.777  -2.167   0.508
   58    H4*    A   6           H4*        A   6  12.946  -2.431   2.670
   59    H3*    A   6           H3*        A   6  13.605  -0.114   0.857
   60   1H2*    A   6          1H2*        A   6  15.402   0.591   2.095
   61   2HO*    A   6          2HO*        A   6  15.552   0.112   4.379
   62    H1*    A   6           H1*        A   6  16.127  -1.837   3.380
   63    H8     A   6           H8         A   6  15.951  -1.093  -0.415
   64   1H6     A   6          1H6         A   6  22.076  -0.602  -0.259
   65   2H6     A   6          2H6         A   6  20.658  -0.579  -1.281
   66    H2     A   6           H2         A   6  20.637  -1.306   3.946
   67   1H5*    A   7          1H5*        A   7  12.925   4.179   3.713
   68   2H5*    A   7          2H5*        A   7  14.080   3.330   2.658
   69    H4*    A   7           H4*        A   7  14.180   3.314   5.713
   70    H3*    A   7           H3*        A   7  15.659   4.973   3.626
   71   1H2*    A   7          1H2*        A   7  17.612   4.847   4.941
   72   2HO*    A   7          2HO*        A   7  17.583   4.171   7.102
   73    H1*    A   7           H1*        A   7  17.341   2.203   5.721
   74    H8     A   7           H8         A   7  16.577   3.023   2.036
   75   1H6     A   7          1H6         A   7  22.528   1.911   0.910
   76   2H6     A   7          2H6         A   7  20.978   2.290   0.192
   77    H2     A   7           H2         A   7  21.899   1.699   5.351
   78   1H5*    G   8          1H5*        G   8  16.380   8.059   6.873
   79   2H5*    G   8          2H5*        G   8  16.540   9.537   5.888
   80    H4*    G   8           H4*        G   8  18.620   8.522   7.169
   81    H3*    G   8           H3*        G   8  18.665   9.291   4.205
   82   1H2*    G   8          1H2*        G   8  20.997   8.880   4.267
   83   2HO*    G   8          2HO*        G   8  22.051   9.384   6.019
   84    H1*    G   8           H1*        G   8  20.826   6.584   5.819
   85    H8     G   8           H8         G   8  18.140   6.465   3.175
   86    H1     G   8           H1         G   8  23.913   5.189   0.781
   87   1H2     G   8          1H2         G   8  25.099   6.276   3.877
   88   2H2     G   8          2H2         G   8  25.482   5.653   2.289
   89   1H5*    G   9          1H5*        G   9  21.964  11.759   5.962
   90   2H5*    G   9          2H5*        G   9  22.167  13.183   4.913
   91    H4*    G   9           H4*        G   9  24.138  11.460   5.255
   92    H3*    G   9           H3*        G   9  23.181  12.402   2.510
   93   1H2*    G   9          1H2*        G   9  25.086  11.277   1.627
   94   2HO*    G   9          2HO*        G   9  26.731  10.480   2.944
   95    H1*    G   9           H1*        G   9  24.790   9.011   3.190
   96    H8     G   9           H8         G   9  21.333   9.930   2.109
   97    H1     G   9           H1         G   9  24.642   7.402  -2.728
   98   1H2     G   9          1H2         G   9  27.417   7.831  -0.650
   99   2H2     G   9          2H2         G   9  26.803   7.292  -2.197
  100   1H5*    A  10          1H5*        A  10  27.005  14.742   2.345
  101   2H5*    A  10          2H5*        A  10  26.726  16.007   1.136
  102    H4*    A  10           H4*        A  10  28.266  13.963   0.533
  103    H3*    A  10           H3*        A  10  26.012  15.067  -1.208
  104   1H2*    A  10          1H2*        A  10  26.531  13.467  -2.826
  105   2HO*    A  10          2HO*        A  10  28.954  12.919  -1.419
  106    H1*    A  10           H1*        A  10  27.082  11.352  -1.151
  107    H8     A  10           H8         A  10  23.948  12.331   0.274
  108   1H6     A  10          1H6         A  10  20.936  10.883  -4.908
  109   2H6     A  10          2H6         A  10  20.763  11.224  -3.200
  110    H2     A  10           H2         A  10  25.329  11.179  -5.859
  111   1H5*    U  11          1H5*        U  11  27.296  13.974  -4.661
  112   2H5*    U  11          2H5*        U  11  28.442  15.282  -4.984
  113    H4*    U  11           H4*        U  11  27.304  14.898  -7.056
  114    H3*    U  11           H3*        U  11  27.150  17.407  -5.941
  115   1H2*    U  11          1H2*        U  11  25.059  17.173  -4.872
  116   2HO*    U  11          2HO*        U  11  24.818  18.947  -6.270
  117    H1*    U  11           H1*        U  11  23.921  15.787  -7.312
  118    H3     U  11           H3         U  11  20.047  14.821  -5.277
  119    H5     U  11           H5         U  11  22.771  14.809  -2.060
  120    H6     U  11           H6         U  11  24.539  15.335  -3.632
  121   1H5*    U  12          1H5*        U  12  28.468  14.762  -8.937
  122   2H5*    U  12          2H5*        U  12  28.962  15.074 -10.603
  123    H4*    U  12           H4*        U  12  27.110  13.124  -9.636
  124    H3*    U  12           H3*        U  12  28.789  13.424 -11.760
  125   1H2*    U  12          1H2*        U  12  27.548  14.922 -12.999
  126   2HO*    U  12          2HO*        U  12  26.567  13.859 -14.666
  127    H1*    U  12           H1*        U  12  24.894  13.678 -12.434
  128    H3     U  12           H3         U  12  23.541  17.214 -14.987
  129    H5     U  12           H5         U  12  25.374  18.989 -11.628
  130    H6     U  12           H6         U  12  26.101  16.780 -10.936
  131   1H5*    A  13          1H5*        A  13  29.692   8.044 -12.418
  132   2H5*    A  13          2H5*        A  13  28.063   8.437 -12.997
  133    H4*    A  13           H4*        A  13  29.036   7.941 -10.195
  134    H3*    A  13           H3*        A  13  27.368   6.516 -11.838
  135   1H2*    A  13          1H2*        A  13  25.684   8.163 -12.105
  136   2HO*    A  13          2HO*        A  13  23.960   7.542 -10.750
  137    H1*    A  13           H1*        A  13  25.850   8.816  -9.158
  138    H8     A  13           H8         A  13  25.126  10.143 -12.708
  139   1H6     A  13          1H6         A  13  22.221  14.747  -9.833
  140   2H6     A  13          2H6         A  13  22.459  13.948 -11.372
  141    H2     A  13           H2         A  13  24.635  12.457  -6.807
  142   1H5*    C  14          1H5*        C  14  29.963   5.285  -9.419
  143   2H5*    C  14          2H5*        C  14  30.270   3.937  -8.316
  144    H4*    C  14           H4*        C  14  31.055   6.124  -7.395
  145    H3*    C  14           H3*        C  14  28.809   4.619  -5.990
  146   1H2*    C  14          1H2*        C  14  28.773   6.262  -4.308
  147   2HO*    C  14          2HO*        C  14  30.993   6.454  -3.939
  148    H1*    C  14           H1*        C  14  29.148   8.472  -5.951
  149   1H4     C  14          1H4         C  14  22.670   7.205  -6.252
  150   2H4     C  14          2H4         C  14  22.875   8.000  -4.706
  151    H5     C  14           H5         C  14  24.536   6.610  -7.698
  152    H6     C  14           H6         C  14  26.982   6.461  -7.835
  153   1H5*    C  15          1H5*        C  15  32.381   3.984  -3.031
  154   2H5*    C  15          2H5*        C  15  32.252   2.297  -2.489
  155    H4*    C  15           H4*        C  15  32.225   4.060  -0.632
  156    H3*    C  15           H3*        C  15  29.953   2.063  -1.017
  157   1H2*    C  15          1H2*        C  15  28.884   2.925   0.886
  158   2HO*    C  15          2HO*        C  15  31.309   4.316   1.483
  159    H1*    C  15           H1*        C  15  29.465   5.611   0.451
  160   1H4     C  15          1H4         C  15  24.042   4.268  -3.128
  161   2H4     C  15          2H4         C  15  23.445   4.358  -1.485
  162    H5     C  15           H5         C  15  26.392   4.337  -3.686
  163    H6     C  15           H6         C  15  28.664   4.526  -2.790
  164   1H5*    U  16          1H5*        U  16  31.095   1.604   3.139
  165   2H5*    U  16          2H5*        U  16  31.003  -0.097   3.640
  166    H4*    U  16           H4*        U  16  29.520   1.697   4.880
  167    H3*    U  16           H3*        U  16  28.490  -0.976   3.805
  168   1H2*    U  16          1H2*        U  16  26.408  -0.494   4.832
  169   2HO*    U  16          2HO*        U  16  27.088   0.295   6.821
  170    H1*    U  16           H1*        U  16  26.348   2.186   4.115
  171    H3     U  16           H3         U  16  23.040  -0.261   1.944
  172    H5     U  16           H5         U  16  26.486  -0.563  -0.470
  173    H6     U  16           H6         U  16  27.756   0.470   1.313
  174   1H5*    A  17          1H5*        A  17  27.484  -2.365   8.233
  175   2H5*    A  17          2H5*        A  17  27.933  -4.052   7.901
  176    H4*    A  17           H4*        A  17  25.448  -3.503   8.528
  177    H3*    A  17           H3*        A  17  26.279  -5.207   6.148
  178   1H2*    A  17          1H2*        A  17  23.978  -5.647   5.795
  179   2HO*    A  17          2HO*        A  17  22.400  -5.174   7.340
  180    H1*    A  17           H1*        A  17  23.074  -3.083   6.328
  181    H8     A  17           H8         A  17  26.154  -2.833   4.175
  182   1H6     A  17          1H6         A  17  22.636  -4.025  -0.735
  183   2H6     A  17          2H6         A  17  24.217  -3.506  -0.190
  184    H2     A  17           H2         A  17  20.173  -4.785   2.948
  185   1H5*    U  18          1H5*        U  18  23.799  -7.970   7.957
  186   2H5*    U  18          2H5*        U  18  24.412  -9.615   7.691
  187    H4*    U  18           H4*        U  18  22.226  -9.071   6.502
  188    H3*    U  18           H3*        U  18  24.713  -9.917   4.950
  189   1H2*    U  18          1H2*        U  18  23.458  -9.884   2.964
  190   2HO*    U  18          2HO*        U  18  21.091  -9.615   4.540
  191    H1*    U  18           H1*        U  18  21.963  -7.610   3.530
  192    H3     U  18           H3         U  18  24.730  -6.866  -0.106
  193    H5     U  18           H5         U  18  27.069  -6.027   3.300
  194    H6     U  18           H6         U  18  25.295  -6.936   4.675
  195   1H5*    G  19          1H5*        G  19  21.948 -13.956   3.826
  196   2H5*    G  19          2H5*        G  19  23.420 -14.933   3.584
  197    H4*    G  19           H4*        G  19  21.652 -14.639   1.641
  198    H3*    G  19           H3*        G  19  24.662 -14.211   1.313
  199   1H2*    G  19          1H2*        G  19  24.286 -13.922  -1.002
  200   2HO*    G  19          2HO*        G  19  22.861 -15.606  -1.418
  201    H1*    G  19           H1*        G  19  21.971 -12.417  -0.747
  202    H8     G  19           H8         G  19  24.703 -11.406   1.715
  203    H1     G  19           H1         G  19  25.518  -8.835  -4.063
  204   1H2     G  19          1H2         G  19  22.920 -10.947  -5.043
  205   2H2     G  19          2H2         G  19  24.078  -9.719  -5.507
  206   1H5*    C  20          1H5*        C  20  23.970 -17.472  -1.928
  207   2H5*    C  20          2H5*        C  20  25.562 -18.255  -1.943
  208    H4*    C  20           H4*        C  20  24.683 -17.100  -4.133
  209    H3*    C  20           H3*        C  20  27.468 -16.618  -2.957
  210   1H2*    C  20          1H2*        C  20  27.949 -15.413  -4.942
  211   2HO*    C  20          2HO*        C  20  25.459 -16.264  -6.046
  212    H1*    C  20           H1*        C  20  25.477 -14.142  -5.099
  213   1H4     C  20          1H4         C  20  29.350 -10.613  -1.006
  214   2H4     C  20          2H4         C  20  29.660  -9.973  -2.603
  215    H5     C  20           H5         C  20  27.954 -12.540  -0.604
  216    H6     C  20           H6         C  20  26.557 -14.258  -1.645
  217   1H5*    C  21          1H5*        C  21  27.879 -18.335  -7.113
  218   2H5*    C  21          2H5*        C  21  29.411 -19.223  -7.229
  219    H4*    C  21           H4*        C  21  28.948 -17.246  -8.896
  220    H3*    C  21           H3*        C  21  31.525 -17.625  -7.297
  221   1H2*    C  21          1H2*        C  21  32.435 -15.770  -8.436
  222   2HO*    C  21          2HO*        C  21  30.181 -15.801 -10.195
  223    H1*    C  21           H1*        C  21  30.118 -14.224  -8.434
  224   1H4     C  21          1H4         C  21  33.225 -13.203  -2.649
  225   2H4     C  21          2H4         C  21  33.763 -11.926  -3.715
  226    H5     C  21           H5         C  21  31.813 -15.024  -3.375
  227    H6     C  21           H6         C  21  30.616 -16.002  -5.273
  228    H3T    C  21           H3T        C  21  32.197 -18.438  -9.314
   
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  37.691  -9.406  -7.261
    2   2H5*    G   1          2H5*        G   1  38.717  -9.349  -8.717
    3    H4*    G   1           H4*        G   1  36.817  -9.859 -10.108
    4    H3*    G   1           H3*        G   1  35.176  -9.093  -7.657
    5   1H2*    G   1          1H2*        G   1  33.498 -10.603  -8.318
    6   2HO*    G   1          2HO*        G   1  33.371 -11.459 -10.395
    7    H1*    G   1           H1*        G   1  35.164 -12.626  -9.217
    8    H8     G   1           H8         G   1  36.344 -11.152  -5.910
    9    H1     G   1           H1         G   1  31.730 -15.500  -5.169
   10   1H2     G   1          1H2         G   1  31.426 -15.322  -8.642
   11   2H2     G   1          2H2         G   1  30.864 -16.038  -7.147
   12    H5T    G   1           H5T        G   1  36.870  -7.449  -7.742
   13   1H5*    G   2          1H5*        G   2  32.501  -8.577 -11.353
   14   2H5*    G   2          2H5*        G   2  31.348  -7.272 -10.968
   15    H4*    G   2           H4*        G   2  30.446  -9.620 -11.680
   16    H3*    G   2           H3*        G   2  29.576  -8.152  -9.152
   17   1H2*    G   2          1H2*        G   2  28.049  -9.884  -8.692
   18   2HO*    G   2          2HO*        G   2  28.523 -10.877 -11.333
   19    H1*    G   2           H1*        G   2  29.667 -12.000  -9.486
   20    H8     G   2           H8         G   2  31.631  -9.513  -7.407
   21    H1     G   2           H1         G   2  28.093 -13.422  -3.810
   22   1H2     G   2          1H2         G   2  26.642 -14.393  -6.835
   23   2H2     G   2          2H2         G   2  26.695 -14.584  -5.096
   24   1H5*    C   3          1H5*        C   3  25.741  -8.395 -11.724
   25   2H5*    C   3          2H5*        C   3  24.700  -7.043 -11.232
   26    H4*    C   3           H4*        C   3  23.839  -9.510 -10.911
   27    H3*    C   3           H3*        C   3  23.748  -7.330  -8.772
   28   1H2*    C   3          1H2*        C   3  22.580  -8.835  -7.380
   29   2HO*    C   3          2HO*        C   3  21.075  -9.791  -8.621
   30    H1*    C   3           H1*        C   3  24.058 -11.096  -8.041
   31   1H4     C   3          1H4         C   3  27.312  -7.775  -3.281
   32   2H4     C   3          2H4         C   3  26.313  -8.943  -2.448
   33    H5     C   3           H5         C   3  27.227  -7.429  -5.668
   34    H6     C   3           H6         C   3  26.169  -8.129  -7.760
   35   1H5*    G   4          1H5*        G   4  19.325  -8.551  -9.419
   36   2H5*    G   4          2H5*        G   4  18.369  -7.135  -8.907
   37    H4*    G   4           H4*        G   4  18.036  -9.482  -7.749
   38    H3*    G   4           H3*        G   4  18.455  -6.862  -6.226
   39   1H2*    G   4          1H2*        G   4  18.059  -8.073  -4.232
   40   2HO*    G   4          2HO*        G   4  17.265 -10.327  -5.794
   41    H1*    G   4           H1*        G   4  19.459 -10.348  -4.969
   42    H8     G   4           H8         G   4  21.449  -7.238  -5.825
   43    H1     G   4           H1         G   4  21.922  -8.865   0.329
   44   1H2     G   4          1H2         G   4  20.428 -10.441   0.815
   45   2H2     G   4          2H2         G   4  19.323 -11.084  -0.379
   46   1H5*    U   5          1H5*        U   5  14.016  -7.632  -4.083
   47   2H5*    U   5          2H5*        U   5  13.692  -5.915  -4.394
   48    H4*    U   5           H4*        U   5  13.724  -6.781  -1.908
   49    H3*    U   5           H3*        U   5  15.140  -4.294  -2.962
   50   1H2*    U   5          1H2*        U   5  15.909  -3.812  -0.792
   51   2HO*    U   5          2HO*        U   5  14.113  -5.809   0.189
   52    H1*    U   5           H1*        U   5  16.447  -6.411  -0.007
   53    H3     U   5           H3         U   5  20.449  -4.182  -0.114
   54    H5     U   5           H5         U   5  19.713  -5.334  -4.105
   55    H6     U   5           H6         U   5  17.476  -5.969  -3.441
   56   1H5*    A   6          1H5*        A   6  12.570  -3.648   0.643
   57   2H5*    A   6          2H5*        A   6  11.690  -2.111   0.528
   58    H4*    A   6           H4*        A   6  12.799  -2.415   2.749
   59    H3*    A   6           H3*        A   6  13.489  -0.157   0.890
   60   1H2*    A   6          1H2*        A   6  15.346   0.524   2.035
   61   2HO*    A   6          2HO*        A   6  15.541   0.197   4.327
   62    H1*    A   6           H1*        A   6  16.033  -1.855   3.428
   63    H8     A   6           H8         A   6  15.802  -1.328  -0.390
   64   1H6     A   6          1H6         A   6  21.936  -0.938  -0.379
   65   2H6     A   6          2H6         A   6  20.500  -0.959  -1.375
   66    H2     A   6           H2         A   6  20.563  -1.333   3.888
   67   1H5*    A   7          1H5*        A   7  12.789   4.209   3.807
   68   2H5*    A   7          2H5*        A   7  13.911   3.491   2.627
   69    H4*    A   7           H4*        A   7  14.243   3.480   5.667
   70    H3*    A   7           H3*        A   7  15.575   5.032   3.406
   71   1H2*    A   7          1H2*        A   7  17.624   4.933   4.564
   72   2HO*    A   7          2HO*        A   7  17.768   4.389   6.747
   73    H1*    A   7           H1*        A   7  17.384   2.332   5.494
   74    H8     A   7           H8         A   7  16.357   2.947   1.838
   75   1H6     A   7          1H6         A   7  22.200   1.701   0.344
   76   2H6     A   7          2H6         A   7  20.603   2.046  -0.279
   77    H2     A   7           H2         A   7  21.908   1.797   4.826
   78   1H5*    G   8          1H5*        G   8  16.456   8.144   6.888
   79   2H5*    G   8          2H5*        G   8  16.722   9.596   5.887
   80    H4*    G   8           H4*        G   8  18.672   8.582   7.359
   81    H3*    G   8           H3*        G   8  18.954   9.301   4.399
   82   1H2*    G   8          1H2*        G   8  21.268   8.836   4.610
   83   2HO*    G   8          2HO*        G   8  20.928   8.505   7.423
   84    H1*    G   8           H1*        G   8  20.953   6.541   6.122
   85    H8     G   8           H8         G   8  18.373   6.777   3.325
   86    H1     G   8           H1         G   8  24.015   4.622   1.280
   87   1H2     G   8          1H2         G   8  25.160   5.483   4.461
   88   2H2     G   8          2H2         G   8  25.540   4.822   2.887
   89   1H5*    G   9          1H5*        G   9  22.138  12.193   5.865
   90   2H5*    G   9          2H5*        G   9  22.069  13.470   4.627
   91    H4*    G   9           H4*        G   9  24.244  12.012   4.949
   92    H3*    G   9           H3*        G   9  22.896  12.483   2.250
   93   1H2*    G   9          1H2*        G   9  24.787  11.414   1.270
   94   2HO*    G   9          2HO*        G   9  26.019  11.237   3.831
   95    H1*    G   9           H1*        G   9  24.877   9.336   3.081
   96    H8     G   9           H8         G   9  21.238   9.925   2.438
   97    H1     G   9           H1         G   9  23.998   7.008  -2.518
   98   1H2     G   9          1H2         G   9  27.004   7.847  -0.946
   99   2H2     G   9          2H2         G   9  26.215   7.089  -2.313
  100   1H5*    A  10          1H5*        A  10  26.460  15.109   1.412
  101   2H5*    A  10          2H5*        A  10  25.964  16.176   0.086
  102    H4*    A  10           H4*        A  10  27.652  14.220  -0.397
  103    H3*    A  10           H3*        A  10  25.173  14.877  -2.057
  104   1H2*    A  10          1H2*        A  10  25.745  13.139  -3.508
  105   2HO*    A  10          2HO*        A  10  27.924  13.530  -3.825
  106    H1*    A  10           H1*        A  10  26.623  11.319  -1.644
  107    H8     A  10           H8         A  10  23.554  12.041  -0.053
  108   1H6     A  10          1H6         A  10  20.270   9.966  -4.840
  109   2H6     A  10          2H6         A  10  20.217  10.380  -3.141
  110    H2     A  10           H2         A  10  24.486  10.716  -6.238
  111   1H5*    U  11          1H5*        U  11  25.849  13.454  -5.416
  112   2H5*    U  11          2H5*        U  11  27.045  14.635  -5.956
  113    H4*    U  11           H4*        U  11  25.757  14.232  -7.903
  114    H3*    U  11           H3*        U  11  25.637  16.781  -6.862
  115   1H2*    U  11          1H2*        U  11  23.626  16.631  -5.697
  116   2HO*    U  11          2HO*        U  11  22.768  17.183  -8.375
  117    H1*    U  11           H1*        U  11  22.314  15.033  -7.906
  118    H3     U  11           H3         U  11  18.678  14.401  -5.362
  119    H5     U  11           H5         U  11  21.803  14.127  -2.546
  120    H6     U  11           H6         U  11  23.376  14.573  -4.336
  121   1H5*    U  12          1H5*        U  12  27.140  14.127 -11.727
  122   2H5*    U  12          2H5*        U  12  25.707  15.162 -11.732
  123    H4*    U  12           H4*        U  12  25.657  12.524 -10.248
  124    H3*    U  12           H3*        U  12  26.273  12.597 -12.888
  125   1H2*    U  12          1H2*        U  12  24.503  13.820 -13.714
  126   2HO*    U  12          2HO*        U  12  24.131  12.003 -14.872
  127    H1*    U  12           H1*        U  12  22.454  12.545 -11.963
  128    H3     U  12           H3         U  12  19.790  15.568 -14.082
  129    H5     U  12           H5         U  12  22.646  17.933 -12.075
  130    H6     U  12           H6         U  12  23.828  15.898 -11.493
  131   1H5*    A  13          1H5*        A  13  27.432   7.173 -12.957
  132   2H5*    A  13          2H5*        A  13  25.706   7.415 -13.281
  133    H4*    A  13           H4*        A  13  27.170   7.294 -10.653
  134    H3*    A  13           H3*        A  13  25.381   5.590 -11.842
  135   1H2*    A  13          1H2*        A  13  23.541   7.070 -11.958
  136   2HO*    A  13          2HO*        A  13  22.132   6.484 -10.268
  137    H1*    A  13           H1*        A  13  24.147   8.054  -9.163
  138    H8     A  13           H8         A  13  22.739   8.950 -12.647
  139   1H6     A  13          1H6         A  13  19.844  13.523  -9.703
  140   2H6     A  13          2H6         A  13  19.916  12.603 -11.190
  141    H2     A  13           H2         A  13  22.945  11.770  -6.954
  142   1H5*    C  14          1H5*        C  14  28.428   4.848  -9.818
  143   2H5*    C  14          2H5*        C  14  29.065   3.628  -8.706
  144    H4*    C  14           H4*        C  14  29.755   5.936  -8.063
  145    H3*    C  14           H3*        C  14  27.923   4.355  -6.213
  146   1H2*    C  14          1H2*        C  14  27.984   6.120  -4.658
  147   2HO*    C  14          2HO*        C  14  30.201   6.546  -4.668
  148    H1*    C  14           H1*        C  14  27.863   8.214  -6.481
  149   1H4     C  14          1H4         C  14  21.577   6.362  -5.696
  150   2H4     C  14          2H4         C  14  21.930   7.271  -4.244
  151    H5     C  14           H5         C  14  23.256   5.827  -7.370
  152    H6     C  14           H6         C  14  25.657   5.890  -7.878
  153   1H5*    C  15          1H5*        C  15  31.806   4.193  -3.612
  154   2H5*    C  15          2H5*        C  15  31.799   2.525  -3.001
  155    H4*    C  15           H4*        C  15  31.746   4.400  -1.231
  156    H3*    C  15           H3*        C  15  29.658   2.181  -1.375
  157   1H2*    C  15          1H2*        C  15  28.630   3.035   0.556
  158   2HO*    C  15          2HO*        C  15  29.641   4.538   1.915
  159    H1*    C  15           H1*        C  15  28.916   5.737  -0.048
  160   1H4     C  15          1H4         C  15  23.463   3.623  -3.193
  161   2H4     C  15          2H4         C  15  22.954   3.771  -1.526
  162    H5     C  15           H5         C  15  25.754   3.893  -3.902
  163    H6     C  15           H6         C  15  28.040   4.372  -3.171
  164   1H5*    U  16          1H5*        U  16  30.907   2.046   2.689
  165   2H5*    U  16          2H5*        U  16  30.986   0.379   3.296
  166    H4*    U  16           H4*        U  16  29.321   2.086   4.422
  167    H3*    U  16           H3*        U  16  28.550  -0.732   3.510
  168   1H2*    U  16          1H2*        U  16  26.450  -0.379   4.557
  169   2HO*    U  16          2HO*        U  16  26.075   1.340   5.964
  170    H1*    U  16           H1*        U  16  26.156   2.246   3.698
  171    H3     U  16           H3         U  16  22.952  -0.497   1.774
  172    H5     U  16           H5         U  16  26.365  -0.827  -0.685
  173    H6     U  16           H6         U  16  27.615   0.408   0.982
  174   1H5*    A  17          1H5*        A  17  27.446  -1.259   7.823
  175   2H5*    A  17          2H5*        A  17  27.969  -2.925   8.145
  176    H4*    A  17           H4*        A  17  25.485  -2.488   8.486
  177    H3*    A  17           H3*        A  17  26.417  -4.572   6.476
  178   1H2*    A  17          1H2*        A  17  24.139  -5.167   6.209
  179   2HO*    A  17          2HO*        A  17  22.535  -4.511   7.640
  180    H1*    A  17           H1*        A  17  23.124  -2.590   6.252
  181    H8     A  17           H8         A  17  26.249  -2.772   4.106
  182   1H6     A  17          1H6         A  17  22.696  -4.716  -0.535
  183   2H6     A  17          2H6         A  17  24.295  -4.168  -0.081
  184    H2     A  17           H2         A  17  20.197  -4.690   3.205
  185   1H5*    U  18          1H5*        U  18  24.046  -6.925   8.957
  186   2H5*    U  18          2H5*        U  18  24.665  -8.585   9.070
  187    H4*    U  18           H4*        U  18  22.428  -8.373   7.890
  188    H3*    U  18           H3*        U  18  24.866  -9.503   6.444
  189   1H2*    U  18          1H2*        U  18  23.526  -9.939   4.564
  190   2HO*    U  18          2HO*        U  18  21.751 -10.874   5.635
  191    H1*    U  18           H1*        U  18  21.985  -7.629   4.681
  192    H3     U  18           H3         U  18  24.529  -7.608   0.824
  193    H5     U  18           H5         U  18  27.042  -6.072   3.841
  194    H6     U  18           H6         U  18  25.366  -6.690   5.477
  195   1H5*    G  19          1H5*        G  19  21.789 -13.319   6.648
  196   2H5*    G  19          2H5*        G  19  22.975 -14.637   6.442
  197    H4*    G  19           H4*        G  19  20.936 -14.376   4.782
  198    H3*    G  19           H3*        G  19  23.846 -14.754   3.947
  199   1H2*    G  19          1H2*        G  19  23.165 -14.814   1.697
  200   2HO*    G  19          2HO*        G  19  20.462 -15.001   2.607
  201    H1*    G  19           H1*        G  19  21.254 -12.813   1.860
  202    H8     G  19           H8         G  19  24.445 -11.906   3.720
  203    H1     G  19           H1         G  19  24.920 -10.924  -2.563
  204   1H2     G  19          1H2         G  19  21.873 -12.611  -2.756
  205   2H2     G  19          2H2         G  19  23.161 -11.792  -3.610
  206   1H5*    C  20          1H5*        C  20  21.748 -18.112   1.723
  207   2H5*    C  20          2H5*        C  20  22.969 -19.396   1.600
  208    H4*    C  20           H4*        C  20  22.007 -18.414  -0.609
  209    H3*    C  20           H3*        C  20  25.015 -18.571  -0.053
  210   1H2*    C  20          1H2*        C  20  25.325 -17.914  -2.312
  211   2HO*    C  20          2HO*        C  20  23.635 -17.910  -3.814
  212    H1*    C  20           H1*        C  20  23.279 -16.026  -2.336
  213   1H4     C  20          1H4         C  20  28.713 -13.110   0.147
  214   2H4     C  20          2H4         C  20  28.782 -12.837  -1.578
  215    H5     C  20           H5         C  20  27.037 -14.492   1.198
  216    H6     C  20           H6         C  20  25.072 -15.902   0.821
  217   1H5*    C  21          1H5*        C  21  24.024 -21.038  -3.705
  218   2H5*    C  21          2H5*        C  21  25.225 -22.334  -3.883
  219    H4*    C  21           H4*        C  21  24.891 -20.621  -5.847
  220    H3*    C  21           H3*        C  21  27.590 -21.447  -4.676
  221   1H2*    C  21          1H2*        C  21  28.646 -20.145  -6.337
  222   2HO*    C  21          2HO*        C  21  27.534 -19.365  -8.155
  223    H1*    C  21           H1*        C  21  26.845 -18.022  -6.280
  224   1H4     C  21          1H4         C  21  31.338 -17.019  -1.482
  225   2H4     C  21          2H4         C  21  31.908 -16.120  -2.871
  226    H5     C  21           H5         C  21  29.402 -18.458  -1.545
  227    H6     C  21           H6         C  21  27.602 -19.343  -2.946
  228    H3T    C  21           H3T        C  21  26.385 -23.047  -5.776
   
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  36.712  -6.574  -8.552
    2   2H5*    G   1          2H5*        G   1  36.885  -7.251  -6.911
    3    H4*    G   1           H4*        G   1  36.740  -8.813  -9.554
    4    H3*    G   1           H3*        G   1  34.687  -8.189  -7.388
    5   1H2*    G   1          1H2*        G   1  33.746 -10.324  -7.670
    6   2HO*    G   1          2HO*        G   1  35.315 -10.594 -10.045
    7    H1*    G   1           H1*        G   1  36.118 -11.721  -8.014
    8    H8     G   1           H8         G   1  36.331  -9.190  -5.176
    9    H1     G   1           H1         G   1  33.565 -14.664  -3.403
   10   1H2     G   1          1H2         G   1  33.581 -15.418  -6.812
   11   2H2     G   1          2H2         G   1  33.164 -15.928  -5.192
   12    H5T    G   1           H5T        G   1  38.901  -8.032  -7.488
   13   1H5*    G   2          1H5*        G   2  32.352  -9.550 -11.138
   14   2H5*    G   2          2H5*        G   2  30.888  -8.531 -11.161
   15    H4*    G   2           H4*        G   2  30.562 -11.077 -11.334
   16    H3*    G   2           H3*        G   2  29.291  -9.450  -9.086
   17   1H2*    G   2          1H2*        G   2  28.193 -11.395  -8.341
   18   2HO*    G   2          2HO*        G   2  28.007 -13.251  -9.603
   19    H1*    G   2           H1*        G   2  30.303 -13.154  -8.764
   20    H8     G   2           H8         G   2  31.492  -9.928  -7.153
   21    H1     G   2           H1         G   2  28.951 -13.976  -2.923
   22   1H2     G   2          1H2         G   2  27.925 -15.782  -5.732
   23   2H2     G   2          2H2         G   2  27.960 -15.664  -3.988
   24   1H5*    C   3          1H5*        C   3  25.186 -10.158 -11.586
   25   2H5*    C   3          2H5*        C   3  24.373  -8.657 -11.092
   26    H4*    C   3           H4*        C   3  23.283 -10.966 -10.473
   27    H3*    C   3           H3*        C   3  23.711  -8.664  -8.508
   28   1H2*    C   3          1H2*        C   3  22.545  -9.934  -6.891
   29   2HO*    C   3          2HO*        C   3  20.808 -10.675  -8.084
   30    H1*    C   3           H1*        C   3  23.654 -12.396  -7.562
   31   1H4     C   3          1H4         C   3  27.819  -9.314  -3.388
   32   2H4     C   3          2H4         C   3  26.833 -10.365  -2.398
   33    H5     C   3           H5         C   3  27.458  -9.010  -5.756
   34    H6     C   3           H6         C   3  26.077  -9.645  -7.674
   35   1H5*    G   4          1H5*        G   4  19.179  -9.378  -8.959
   36   2H5*    G   4          2H5*        G   4  18.306  -7.882  -8.534
   37    H4*    G   4           H4*        G   4  17.815 -10.146  -7.265
   38    H3*    G   4           H3*        G   4  18.343  -7.459  -5.911
   39   1H2*    G   4          1H2*        G   4  17.942  -8.488  -3.824
   40   2HO*    G   4          2HO*        G   4  16.077  -9.651  -4.327
   41    H1*    G   4           H1*        G   4  19.219 -10.883  -4.378
   42    H8     G   4           H8         G   4  21.310  -7.941  -5.547
   43    H1     G   4           H1         G   4  21.860  -9.037   0.717
   44   1H2     G   4          1H2         G   4  20.327 -10.511   1.368
   45   2H2     G   4          2H2         G   4  19.177 -11.216   0.257
   46   1H5*    U   5          1H5*        U   5  13.924  -7.951  -3.645
   47   2H5*    U   5          2H5*        U   5  13.635  -6.257  -4.089
   48    H4*    U   5           H4*        U   5  13.679  -6.922  -1.544
   49    H3*    U   5           H3*        U   5  15.142  -4.562  -2.804
   50   1H2*    U   5          1H2*        U   5  15.946  -3.930  -0.688
   51   2HO*    U   5          2HO*        U   5  15.085  -4.772   1.243
   52    H1*    U   5           H1*        U   5  16.431  -6.471   0.296
   53    H3     U   5           H3         U   5  20.477  -4.340  -0.037
   54    H5     U   5           H5         U   5  19.683  -5.839  -3.899
   55    H6     U   5           H6         U   5  17.437  -6.356  -3.165
   56   1H5*    A   6          1H5*        A   6  12.503  -3.628   0.703
   57   2H5*    A   6          2H5*        A   6  11.694  -2.057   0.533
   58    H4*    A   6           H4*        A   6  12.777  -2.404   2.785
   59    H3*    A   6           H3*        A   6  13.408  -0.136   0.937
   60   1H2*    A   6          1H2*        A   6  15.334   0.522   1.959
   61   2HO*    A   6          2HO*        A   6  15.610   0.254   4.270
   62    H1*    A   6           H1*        A   6  16.017  -1.813   3.451
   63    H8     A   6           H8         A   6  15.798  -1.419  -0.383
   64   1H6     A   6          1H6         A   6  21.930  -1.038  -0.374
   65   2H6     A   6          2H6         A   6  20.495  -1.094  -1.370
   66    H2     A   6           H2         A   6  20.550  -1.268   3.903
   67   1H5*    A   7          1H5*        A   7  12.769   4.186   3.976
   68   2H5*    A   7          2H5*        A   7  13.852   3.523   2.730
   69    H4*    A   7           H4*        A   7  14.317   3.462   5.751
   70    H3*    A   7           H3*        A   7  15.537   5.046   3.450
   71   1H2*    A   7          1H2*        A   7  17.639   4.942   4.509
   72   2HO*    A   7          2HO*        A   7  17.059   5.476   6.610
   73    H1*    A   7           H1*        A   7  17.457   2.332   5.424
   74    H8     A   7           H8         A   7  16.260   2.996   1.826
   75   1H6     A   7          1H6         A   7  22.023   1.753   0.046
   76   2H6     A   7          2H6         A   7  20.401   2.119  -0.498
   77    H2     A   7           H2         A   7  21.931   1.769   4.539
   78   1H5*    G   8          1H5*        G   8  16.603   7.806   7.137
   79   2H5*    G   8          2H5*        G   8  16.901   9.368   6.328
   80    H4*    G   8           H4*        G   8  18.829   8.135   7.653
   81    H3*    G   8           H3*        G   8  19.090   9.259   4.825
   82   1H2*    G   8          1H2*        G   8  21.367   8.653   4.841
   83   2HO*    G   8          2HO*        G   8  22.475   8.117   6.723
   84    H1*    G   8           H1*        G   8  21.055   6.216   6.127
   85    H8     G   8           H8         G   8  18.433   6.860   3.425
   86    H1     G   8           H1         G   8  23.915   4.604   1.074
   87   1H2     G   8          1H2         G   8  25.149   5.092   4.302
   88   2H2     G   8          2H2         G   8  25.470   4.565   2.665
   89   1H5*    G   9          1H5*        G   9  22.555  11.323   6.766
   90   2H5*    G   9          2H5*        G   9  22.739  12.843   5.853
   91    H4*    G   9           H4*        G   9  24.650  11.018   5.845
   92    H3*    G   9           H3*        G   9  23.519  12.290   3.307
   93   1H2*    G   9          1H2*        G   9  25.260  11.182   2.135
   94   2HO*    G   9          2HO*        G   9  26.389  10.337   4.609
   95    H1*    G   9           H1*        G   9  25.044   8.788   3.525
   96    H8     G   9           H8         G   9  21.551   9.907   2.768
   97    H1     G   9           H1         G   9  24.430   7.647  -2.464
   98   1H2     G   9          1H2         G   9  27.347   7.803  -0.546
   99   2H2     G   9          2H2         G   9  26.612   7.406  -2.083
  100   1H5*    A  10          1H5*        A  10  27.402  14.508   2.903
  101   2H5*    A  10          2H5*        A  10  27.008  15.883   1.855
  102    H4*    A  10           H4*        A  10  28.375  13.860   0.876
  103    H3*    A  10           H3*        A  10  25.956  15.178  -0.443
  104   1H2*    A  10          1H2*        A  10  26.184  13.708  -2.248
  105   2HO*    A  10          2HO*        A  10  28.053  12.537  -2.665
  106    H1*    A  10           H1*        A  10  26.868  11.439  -0.838
  107    H8     A  10           H8         A  10  23.989  12.537   1.067
  108   1H6     A  10          1H6         A  10  20.262  11.273  -3.678
  109   2H6     A  10          2H6         A  10  20.330  11.607  -1.962
  110    H2     A  10           H2         A  10  24.504  11.367  -5.184
  111   1H5*    U  11          1H5*        U  11  27.136  14.342  -4.163
  112   2H5*    U  11          2H5*        U  11  28.142  15.758  -4.493
  113    H4*    U  11           H4*        U  11  26.833  15.371  -6.486
  114    H3*    U  11           H3*        U  11  26.683  17.820  -5.249
  115   1H2*    U  11          1H2*        U  11  24.718  17.427  -3.990
  116   2HO*    U  11          2HO*        U  11  24.283  19.264  -5.263
  117    H1*    U  11           H1*        U  11  23.403  16.125  -6.378
  118    H3     U  11           H3         U  11  19.779  14.872  -4.060
  119    H5     U  11           H5         U  11  22.732  15.069  -1.058
  120    H6     U  11           H6         U  11  24.344  15.664  -2.765
  121   1H5*    U  12          1H5*        U  12  28.284  16.194  -8.606
  122   2H5*    U  12          2H5*        U  12  28.421  16.567 -10.331
  123    H4*    U  12           H4*        U  12  26.956  14.454  -9.059
  124    H3*    U  12           H3*        U  12  28.155  14.923 -11.447
  125   1H2*    U  12          1H2*        U  12  26.578  16.270 -12.444
  126   2HO*    U  12          2HO*        U  12  25.332  15.036 -13.855
  127    H1*    U  12           H1*        U  12  24.234  14.744 -11.373
  128    H3     U  12           H3         U  12  21.980  18.025 -13.592
  129    H5     U  12           H5         U  12  24.257  20.095 -10.708
  130    H6     U  12           H6         U  12  25.359  18.002 -10.169
  131   1H5*    A  13          1H5*        A  13  28.704   9.678 -12.916
  132   2H5*    A  13          2H5*        A  13  27.042   9.212 -13.317
  133    H4*    A  13           H4*        A  13  28.393   9.011 -10.782
  134    H3*    A  13           H3*        A  13  26.395   7.651 -12.065
  135   1H2*    A  13          1H2*        A  13  24.698   9.272 -11.804
  136   2HO*    A  13          2HO*        A  13  23.798   7.487 -10.799
  137    H1*    A  13           H1*        A  13  25.570   9.789  -8.957
  138    H8     A  13           H8         A  13  24.415  11.522 -12.249
  139   1H6     A  13          1H6         A  13  21.691  15.541  -8.462
  140   2H6     A  13          2H6         A  13  21.822  15.017 -10.126
  141    H2     A  13           H2         A  13  24.322  12.802  -6.047
  142   1H5*    C  14          1H5*        C  14  29.143   5.736  -9.802
  143   2H5*    C  14          2H5*        C  14  29.233   4.321  -8.745
  144    H4*    C  14           H4*        C  14  30.377   6.423  -7.857
  145    H3*    C  14           H3*        C  14  28.182   4.969  -6.324
  146   1H2*    C  14          1H2*        C  14  28.427   6.483  -4.541
  147   2HO*    C  14          2HO*        C  14  30.219   7.857  -4.347
  148    H1*    C  14           H1*        C  14  28.781   8.778  -6.061
  149   1H4     C  14          1H4         C  14  22.237   7.981  -5.860
  150   2H4     C  14          2H4         C  14  22.632   8.485  -4.233
  151    H5     C  14           H5         C  14  23.926   7.523  -7.558
  152    H6     C  14           H6         C  14  26.335   7.237  -7.946
  153   1H5*    C  15          1H5*        C  15  31.811   4.152  -3.747
  154   2H5*    C  15          2H5*        C  15  31.754   2.472  -3.179
  155    H4*    C  15           H4*        C  15  31.777   4.277  -1.352
  156    H3*    C  15           H3*        C  15  29.575   2.178  -1.568
  157   1H2*    C  15          1H2*        C  15  28.581   3.032   0.381
  158   2HO*    C  15          2HO*        C  15  29.655   4.371   1.821
  159    H1*    C  15           H1*        C  15  29.019   5.732  -0.133
  160   1H4     C  15          1H4         C  15  23.469   4.088  -3.374
  161   2H4     C  15          2H4         C  15  22.960   4.181  -1.702
  162    H5     C  15           H5         C  15  25.774   4.255  -4.063
  163    H6     C  15           H6         C  15  28.082   4.555  -3.303
  164   1H5*    U  16          1H5*        U  16  30.907   1.936   2.485
  165   2H5*    U  16          2H5*        U  16  30.956   0.262   3.070
  166    H4*    U  16           H4*        U  16  29.409   2.008   4.293
  167    H3*    U  16           H3*        U  16  28.539  -0.781   3.396
  168   1H2*    U  16          1H2*        U  16  26.463  -0.406   4.459
  169   2HO*    U  16          2HO*        U  16  27.524   1.986   5.602
  170    H1*    U  16           H1*        U  16  26.181   2.243   3.667
  171    H3     U  16           H3         U  16  22.949  -0.513   1.755
  172    H5     U  16           H5         U  16  26.281  -0.633  -0.835
  173    H6     U  16           H6         U  16  27.560   0.543   0.850
  174   1H5*    A  17          1H5*        A  17  27.578  -1.157   7.708
  175   2H5*    A  17          2H5*        A  17  27.992  -2.834   8.116
  176    H4*    A  17           H4*        A  17  25.543  -2.187   8.453
  177    H3*    A  17           H3*        A  17  26.331  -4.484   6.626
  178   1H2*    A  17          1H2*        A  17  24.026  -4.950   6.366
  179   2HO*    A  17          2HO*        A  17  23.445  -3.072   8.431
  180    H1*    A  17           H1*        A  17  23.163  -2.322   6.205
  181    H8     A  17           H8         A  17  26.274  -2.765   4.101
  182   1H6     A  17          1H6         A  17  22.694  -4.962  -0.404
  183   2H6     A  17          2H6         A  17  24.301  -4.412   0.015
  184    H2     A  17           H2         A  17  20.189  -4.627   3.316
  185   1H5*    U  18          1H5*        U  18  23.808  -6.509   9.222
  186   2H5*    U  18          2H5*        U  18  24.334  -8.191   9.448
  187    H4*    U  18           H4*        U  18  22.138  -7.931   8.200
  188    H3*    U  18           H3*        U  18  24.543  -9.271   6.883
  189   1H2*    U  18          1H2*        U  18  23.216  -9.752   5.003
  190   2HO*    U  18          2HO*        U  18  20.966  -9.642   5.033
  191    H1*    U  18           H1*        U  18  21.804  -7.358   4.947
  192    H3     U  18           H3         U  18  24.405  -7.687   1.150
  193    H5     U  18           H5         U  18  26.975  -6.176   4.134
  194    H6     U  18           H6         U  18  25.234  -6.591   5.767
  195   1H5*    G  19          1H5*        G  19  21.697 -13.500   7.277
  196   2H5*    G  19          2H5*        G  19  23.206 -14.452   7.314
  197    H4*    G  19           H4*        G  19  21.351 -14.921   5.491
  198    H3*    G  19           H3*        G  19  24.317 -14.523   4.862
  199   1H2*    G  19          1H2*        G  19  23.826 -15.108   2.624
  200   2HO*    G  19          2HO*        G  19  22.484 -16.868   2.880
  201    H1*    G  19           H1*        G  19  21.445 -13.690   2.470
  202    H8     G  19           H8         G  19  24.188 -11.720   4.227
  203    H1     G  19           H1         G  19  24.688 -11.485  -2.126
  204   1H2     G  19          1H2         G  19  22.205 -13.934  -2.115
  205   2H2     G  19          2H2         G  19  23.270 -12.918  -3.062
  206   1H5*    C  20          1H5*        C  20  23.577 -18.862   3.236
  207   2H5*    C  20          2H5*        C  20  25.178 -19.587   3.487
  208    H4*    C  20           H4*        C  20  24.224 -19.587   1.075
  209    H3*    C  20           H3*        C  20  26.984 -18.437   1.736
  210   1H2*    C  20          1H2*        C  20  27.318 -18.256  -0.605
  211   2HO*    C  20          2HO*        C  20  24.889 -19.692  -1.042
  212    H1*    C  20           H1*        C  20  24.741 -17.372  -1.184
  213   1H4     C  20          1H4         C  20  28.367 -12.086   0.571
  214   2H4     C  20          2H4         C  20  28.546 -12.223  -1.162
  215    H5     C  20           H5         C  20  27.194 -13.717   1.910
  216    H6     C  20           H6         C  20  25.947 -15.822   1.871
  217   1H5*    C  21          1H5*        C  21  29.074 -22.561  -0.921
  218   2H5*    C  21          2H5*        C  21  27.502 -21.779  -1.178
  219    H4*    C  21           H4*        C  21  28.522 -21.545  -3.281
  220    H3*    C  21           H3*        C  21  31.111 -21.069  -1.728
  221   1H2*    C  21          1H2*        C  21  31.937 -19.875  -3.589
  222   2HO*    C  21          2HO*        C  21  30.957 -19.970  -5.625
  223    H1*    C  21           H1*        C  21  29.553 -18.579  -4.219
  224   1H4     C  21          1H4         C  21  32.614 -15.007   0.477
  225   2H4     C  21          2H4         C  21  33.128 -14.328  -1.050
  226    H5     C  21           H5         C  21  31.248 -16.991   0.646
  227    H6     C  21           H6         C  21  30.086 -18.742  -0.610
  228    H3T    C  21           H3T        C  21  31.823 -22.640  -3.246
   
   
  No H/Q in entry =         228