*HEADER    RNA                                     06-DEC-01   1KKA              
*TITLE     SOLUTION STRUCTURE OF THE UNMODIFIED ANTICODON STEM-LOOP              
*TITLE    2 FROM E. COLI TRNA(PHE)                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTICODON STEM-LOOP OF TRNA(PHE);                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: T7 RNA POLYMERASE IN VITRO TRANSCRIPTION              
*KEYWDS    RNA STEM-LOOP, TRINUCLEOTIDE LOOP, HAIRPIN                            
*EXPDTA    NMR, 8 STRUCTURES                                                     
*AUTHOR    J.CABELLO-VILLEGAS, M.E.WINKLER, E.P.NIKONOWICZ                       
*REVDAT   1   17-JUL-02 1KKA    0                                                
!
! G1 corresponds to G27 of E.coli tRNA-Phe
!        
!         
!       
!     
!     
!      A9   
!  G8  A10  
!         U7 - A11       
!   U6 - A12  
!   A5 - U13 
!   G4 - C14 
!   G3 - C15 
!   G2 - C16 
!   G1 - C17 
!       5'        3'
! 
!
! Base-pairing constraints for the A37 stemloop
! 
! G1-C17 
! 
assign ( resid 1 and name O6   ) ( resid 17 and name H42  ) 2.00 0.2 0.2
assign ( resid 1 and name O6   ) ( resid 17 and name N4   ) 2.90 0.3 0.3
assign ( resid 1 and name H1   ) ( resid 17 and name N3   ) 2.00 0.2 0.2
assign ( resid 1 and name N1   ) ( resid 17 and name N3   ) 2.90 0.3 0.3
assign ( resid 1 and name H22  ) ( resid 17 and name O2   ) 2.00 0.2 0.2
assign ( resid 1 and name N2   ) ( resid 17 and name O2   ) 2.90 0.3 0.3
! 
! G2-C16 
! 
assign ( resid 2 and name O6   ) ( resid 16 and name H42  ) 2.00 0.2 0.2
assign ( resid 2 and name O6   ) ( resid 16 and name N4   ) 2.90 0.3 0.3
assign ( resid 2 and name H1   ) ( resid 16 and name N3   ) 2.00 0.2 0.2
assign ( resid 2 and name N1   ) ( resid 16 and name N3   ) 2.90 0.3 0.3
assign ( resid 2 and name H22  ) ( resid 16 and name O2   ) 2.00 0.2 0.2
assign ( resid 2 and name N2   ) ( resid 16 and name O2   ) 2.90 0.3 0.3
! 
! G3-C15 
! 
assign ( resid 3 and name O6   ) ( resid 15 and name H42  ) 2.00 0.2 0.2
assign ( resid 3 and name O6   ) ( resid 15 and name N4   ) 2.90 0.3 0.3
assign ( resid 3 and name H1   ) ( resid 15 and name N3   ) 2.00 0.2 0.2
assign ( resid 3 and name N1   ) ( resid 15 and name N3   ) 2.90 0.3 0.3
assign ( resid 3 and name H22  ) ( resid 15 and name O2   ) 2.00 0.2 0.2
assign ( resid 3 and name N2   ) ( resid 15 and name O2   ) 2.90 0.3 0.3
! 
! G4-C14 
! 
assign ( resid 4 and name O6   ) ( resid 14 and name H42  ) 2.00 0.2 0.2
assign ( resid 4 and name O6   ) ( resid 14 and name N4   ) 2.90 0.3 0.3
assign ( resid 4 and name H1   ) ( resid 14 and name N3   ) 2.00 0.2 0.2
assign ( resid 4 and name N1   ) ( resid 14 and name N3   ) 2.90 0.3 0.3
assign ( resid 4 and name H22  ) ( resid 14 and name O2   ) 2.00 0.2 0.2
assign ( resid 4 and name N2   ) ( resid 14 and name O2   ) 2.90 0.3 0.3
! 
! A5-U13
! 
assign ( resid 5 and name H61  ) ( resid 13 and name O4   ) 2.00 0.2 0.2
assign ( resid 5 and name N6   ) ( resid 13 and name O4   ) 2.90 0.3 0.3
assign ( resid 5 and name N1   ) ( resid 13 and name H3   ) 2.00 0.2 0.2
assign ( resid 5 and name N1   ) ( resid 13 and name N3   ) 2.90 0.3 0.3
! 
! U6-A12
! 
assign ( resid 6 and name O4   ) ( resid 12 and name H61  ) 2.00 0.2 0.2
assign ( resid 6 and name O4   ) ( resid 12 and name N6   ) 2.90 0.3 0.3
assign ( resid 6 and name H3   ) ( resid 12 and name N1   ) 2.00 0.2 0.2
assign ( resid 6 and name N3   ) ( resid 12 and name N1   ) 2.90 0.3 0.3
! incluido el 4/16/99
!
!
!U7-A11
!
assign ( resid 7 and name O4   ) ( resid 11 and name H61  ) 2.00 0.2 1.2
assign ( resid 7 and name O4   ) ( resid 11 and name N6   ) 2.90 0.3 1.3
assign ( resid 7 and name H3   ) ( resid 11 and name N1   ) 2.00 0.2 1.2
assign ( resid 7 and name N3   ) ( resid 11 and name N1   ) 2.90 0.3 1.3
! incluido el 5/20/99 y modif 6/06/00

! inter proton distance constraints
assign ( resid 14 and name H42 ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 14 and name H41 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 14 and name H42 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 15 and name H41 ) ( resid 14 and name H5 ) 7 7 0
assign ( resid 16 and name H41 ) ( resid 17 and name H42 ) 6 6 0
assign ( resid 16 and name H41 ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 5 and name H62 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 17 and name H42 ) 5 5 0
assign ( resid 2 and name H1 ) ( resid 17 and name H41 ) 5 5 0
assign ( resid 2 and name H1 ) ( resid 16 and name H42 ) 4 4 0
assign ( resid 2 and name H1 ) ( resid 16 and name H41 ) 4 4 0
assign ( resid 2 and name H1 ) ( resid 15 and name H41 ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 16 and name H41 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 15 and name H42 ) 4 4 0
assign ( resid 3 and name H1 ) ( resid 15 and name H41 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 15 and name H42 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 15 and name H41 ) 6 6 0
assign ( resid 4 and name H1 ) ( resid 14 and name H42 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 14 and name H41 ) 4 4 0
assign ( resid 4 and name H1 ) ( resid 5 and name H62 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H61 ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H1 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 4 and name H1 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 13 and name H3 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 4 and name H8 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H2 ) 6 6 0
assign ( resid 4 and name H1 ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 2 and name H1 ) ( resid 16 and name H2'' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 17 and name H1' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 3 and name H1' ) 6 6 0
assign ( resid 2 and name H1 ) ( resid 2 and name H1' ) 6 6 0
assign ( resid 3 and name H1 ) ( resid 4 and name H1' ) 5 5 0
assign ( resid 3 and name H1 ) ( resid 3 and name H1' ) 7 7 0
assign ( resid 3 and name H1 ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 14 and name H5 ) 5 5 0
assign ( resid 4 and name H1 ) ( resid 14 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 4 and name H1' ) 7 7 0
assign ( resid 4 and name H1 ) ( resid 5 and name H1' ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 5 and name H61 ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 14 and name H41 ) 7 7 0
assign ( resid 13 and name H3 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 13 and name H3 ) ( resid 5 and name H2 ) 4 4 0
assign ( resid 13 and name H3 ) ( resid 5 and name H62 ) 5 5 0
assign ( resid 13 and name H3 ) ( resid 14 and name H42 ) 7 7 0
assign ( resid 6 and name H3 ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 1 and name H8 ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H8 ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H8 ) ( resid 4 and name H8 ) 7 7 0
assign ( resid 4 and name H8 ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H8 ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 7 and name H6 ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 8 and name H8 ) ( resid 9 and name H8 ) 7 7 0
assign ( resid 9 and name H2 ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 10 and name H2 ) ( resid 11 and name H2 ) 7 7 0
assign ( resid 10 and name H2 ) ( resid 11 and name H8 ) 8 8 0
assign ( resid 10 and name H8 ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H8 ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 11 and name H2 ) ( resid 12 and name H2 ) 6 6 0
assign ( resid 12 and name H8 ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H6 ) ( resid 14 and name H6 ) 7 7 0
assign ( resid 16 and name H6 ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 1 and name H1' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 1 and name H1' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 2 and name H1' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 2 and name H1' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H1' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H1' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H1' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H1' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H1' ) ( resid 5 and name H8 ) 5 5 0
assign ( resid 5 and name H1' ) ( resid 4 and name H8 ) 8 8 0
assign ( resid 5 and name H1' ) ( resid 5 and name H2 ) 6 6 0
assign ( resid 5 and name H1' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H5 ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 6 and name H5 ) ( resid 7 and name H6 ) 7 7 0
assign ( resid 6 and name H1' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H1' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 6 and name H1' ) ( resid 5 and name H2 ) 4 4 0
assign ( resid 7 and name H5 ) ( resid 6 and name H6 ) 7 7 0
assign ( resid 7 and name H5 ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 7 and name H1' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 7 and name H1' ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 7 and name H1' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 7 and name H1' ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 9 and name H8 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 8 and name H8 ) 4 4 0
assign ( resid 8 and name H1' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H1' ) ( resid 11 and name H2 ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 9 and name H8 ) 5 5 0
assign ( resid 9 and name H1' ) ( resid 10 and name H8 ) 5 5 0
assign ( resid 9 and name H1' ) ( resid 9 and name H2 ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 10 and name H8 ) 4 4 0
assign ( resid 10 and name H1' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 10 and name H1' ) ( resid 9 and name H2 ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H2 ) 7 7 0
assign ( resid 11 and name H1' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 10 and name H2 ) 5 5 0
assign ( resid 11 and name H1' ) ( resid 10 and name H8 ) 8 8 0
assign ( resid 12 and name H1' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H1' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 12 and name H1' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 12 and name H1' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 12 and name H1' ) ( resid 11 and name H2 ) 4 4 0
assign ( resid 13 and name H5 ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 13 and name H1' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H1' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 13 and name H1' ) ( resid 12 and name H2 ) 4 4 0
assign ( resid 14 and name H5 ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 14 and name H1' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 14 and name H1' ) ( resid 14 and name H6 ) 5 5 0
assign ( resid 14 and name H1' ) ( resid 5 and name H2 ) 5 5 0
assign ( resid 16 and name H1' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 17 and name H1' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 1 and name H2'' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 2 and name H2'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H2'' ) ( resid 3 and name H8 ) 4 4 0
assign ( resid 3 and name H2'' ) ( resid 4 and name H8 ) 4 4 0
assign ( resid 4 and name H2'' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H2'' ) ( resid 5 and name H8 ) 3 3 0
assign ( resid 5 and name H2'' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H2'' ) ( resid 6 and name H6 ) 4 4 0
assign ( resid 6 and name H2'' ) ( resid 5 and name H2 ) 7 7 0
assign ( resid 6 and name H2'' ) ( resid 12 and name H2 ) 7 7 0
assign ( resid 6 and name H2'' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H6 ) 4 4 0
assign ( resid 7 and name H2'' ) ( resid 7 and name H6 ) 4 4 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H8 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 8 and name H2'' ) ( resid 8 and name H8 ) 3 3 0
assign ( resid 8 and name H2'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H2'' ) ( resid 9 and name H8 ) 3 3 0
assign ( resid 9 and name H2'' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H2'' ) ( resid 10 and name H8 ) 3 3 0
assign ( resid 10 and name H2'' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H2'' ) ( resid 11 and name H8 ) 3 3 0
assign ( resid 11 and name H2'' ) ( resid 12 and name H8 ) 4 4 0
assign ( resid 12 and name H2'' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H2'' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H2'' ) ( resid 14 and name H6 ) 3 3 0
assign ( resid 14 and name H2'' ) ( resid 15 and name H6 ) 4 4 0
assign ( resid 15 and name H2'' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H2'' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H2'' ) ( resid 17 and name H6 ) 3 3 0
assign ( resid 17 and name H2'' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 2 and name H3' ) ( resid 2 and name H8 ) 5 5 0
assign ( resid 2 and name H3' ) ( resid 3 and name H8 ) 5 5 0
assign ( resid 3 and name H3' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 4 and name H3' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H3' ) ( resid 5 and name H8 ) 5 5 0
assign ( resid 5 and name H3' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H3' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 6 and name H3' ) ( resid 6 and name H6 ) 4 4 0
assign ( resid 6 and name H3' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H3' ) ( resid 7 and name H6 ) 5 5 0
assign ( resid 7 and name H3' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H3' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H3' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 9 and name H3' ) ( resid 9 and name H8 ) 5 5 0
assign ( resid 9 and name H3' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H3' ) ( resid 10 and name H8 ) 5 5 0
assign ( resid 10 and name H3' ) ( resid 10 and name H2 ) 8 8 0
assign ( resid 11 and name H3' ) ( resid 11 and name H8 ) 4 4 0
assign ( resid 11 and name H3' ) ( resid 12 and name H8 ) 5 5 0
assign ( resid 12 and name H3' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H3' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 13 and name H3' ) ( resid 13 and name H6 ) 5 5 0
assign ( resid 16 and name H3' ) ( resid 16 and name H6 ) 5 5 0
assign ( resid 16 and name H3' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 17 and name H3' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 2 and name H4' ) ( resid 2 and name H8 ) 7 7 0
assign ( resid 3 and name H4' ) ( resid 3 and name H8 ) 7 7 0
assign ( resid 4 and name H4' ) ( resid 4 and name H8 ) 6 6 0
assign ( resid 4 and name H4' ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 5 and name H4' ) ( resid 5 and name H8 ) 7 7 0
assign ( resid 5 and name H4' ) ( resid 6 and name H6 ) 7 7 0
assign ( resid 6 and name H4' ) ( resid 6 and name H6 ) 5 5 0
assign ( resid 7 and name H4' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H4' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H4' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H4' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H4' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 10 and name H4' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H4' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H4' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 11 and name H4' ) ( resid 11 and name H8 ) 6 6 0
assign ( resid 11 and name H4' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H4' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H4' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H4' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 16 and name H4' ) ( resid 16 and name H6 ) 7 7 0
assign ( resid 17 and name H4' ) ( resid 17 and name H6 ) 5 5 0
assign ( resid 1 and name H5' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 1 and name H5'' ) ( resid 1 and name H8 ) 5 5 0
assign ( resid 1 and name H5' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 1 and name H5'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H5' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 2 and name H5'' ) ( resid 2 and name H8 ) 6 6 0
assign ( resid 3 and name H5' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 3 and name H5'' ) ( resid 3 and name H8 ) 6 6 0
assign ( resid 4 and name H5' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 4 and name H5'' ) ( resid 4 and name H8 ) 5 5 0
assign ( resid 5 and name H5' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 5 and name H5'' ) ( resid 5 and name H8 ) 6 6 0
assign ( resid 6 and name H5' ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 6 and name H5'' ) ( resid 6 and name H6 ) 6 6 0
assign ( resid 7 and name H5' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H5'' ) ( resid 7 and name H6 ) 6 6 0
assign ( resid 7 and name H5'' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 7 and name H5' ) ( resid 8 and name H8 ) 7 7 0
assign ( resid 8 and name H5' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H5'' ) ( resid 8 and name H8 ) 5 5 0
assign ( resid 8 and name H5' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H5'' ) ( resid 10 and name H2 ) 7 7 0
assign ( resid 8 and name H5' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 8 and name H5'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5'' ) ( resid 9 and name H8 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H2 ) 6 6 0
assign ( resid 9 and name H5' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H8 ) 7 7 0
assign ( resid 10 and name H5'' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H5' ) ( resid 10 and name H8 ) 6 6 0
assign ( resid 10 and name H5' ) ( resid 9 and name H8 ) 8 8 0
assign ( resid 10 and name H5'' ) ( resid 9 and name H8 ) 8 8 0
assign ( resid 10 and name H5' ) ( resid 11 and name H8 ) 7 7 0
assign ( resid 10 and name H5'' ) ( resid 11 and name H8 ) 7 7 0
assign ( resid 11 and name H5' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 11 and name H5'' ) ( resid 11 and name H8 ) 5 5 0
assign ( resid 12 and name H5' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H5'' ) ( resid 12 and name H8 ) 6 6 0
assign ( resid 12 and name H5' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 12 and name H5'' ) ( resid 13 and name H6 ) 7 7 0
assign ( resid 13 and name H5' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 13 and name H5'' ) ( resid 13 and name H6 ) 6 6 0
assign ( resid 14 and name H5' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 14 and name H5'' ) ( resid 14 and name H6 ) 6 6 0
assign ( resid 15 and name H5' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 15 and name H5'' ) ( resid 15 and name H6 ) 6 6 0
assign ( resid 16 and name H5' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 16 and name H5'' ) ( resid 17 and name H6 ) 7 7 0
assign ( resid 17 and name H5' ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 17 and name H5'' ) ( resid 17 and name H6 ) 6 6 0
assign ( resid 4 and name H1' ) ( resid 5 and name H1' ) 7 7 0
assign ( resid 5 and name H2'' ) ( resid 6 and name H5 ) 6 6 0
assign ( resid 5 and name H3' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 5 and name H1' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 5 and name H1' ) ( resid 6 and name H1' ) 7 7 0
assign ( resid 6 and name H5 ) ( resid 6 and name H2'' ) 6 6 0
assign ( resid 6 and name H5 ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H5 ) 5 5 0
assign ( resid 6 and name H2'' ) ( resid 7 and name H1' ) 5 5 0
assign ( resid 6 and name H3' ) ( resid 6 and name H5 ) 7 7 0
assign ( resid 6 and name H3' ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 7 and name H5 ) 6 6 0
assign ( resid 7 and name H3' ) ( resid 7 and name H5 ) 7 7 0
assign ( resid 8 and name H1' ) ( resid 9 and name H5' ) 6 6 0
assign ( resid 8 and name H1' ) ( resid 9 and name H5'' ) 6 6 0
assign ( resid 9 and name H1' ) ( resid 10 and name H2'' ) 7 7 0
assign ( resid 9 and name H5' ) ( resid 10 and name H1' ) 7 7 0
assign ( resid 9 and name H5'' ) ( resid 10 and name H1' ) 7 7 0
assign ( resid 9 and name H1' ) ( resid 10 and name H5'' ) 8 5 0
assign ( resid 9 and name H1' ) ( resid 10 and name H5' ) 8 5 0
assign ( resid 9 and name H4' ) ( resid 10 and name H1' ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 11 and name H1' ) 6 6 0
assign ( resid 10 and name H1' ) ( resid 11 and name H4' ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H5' ) 7 7 0
assign ( resid 10 and name H1' ) ( resid 11 and name H5'' ) 7 7 0
assign ( resid 11 and name H2'' ) ( resid 12 and name H1' ) 6 6 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H1' ) 6 6 0
assign ( resid 12 and name H1' ) ( resid 13 and name H1' ) 7 7 0
assign ( resid 12 and name H1' ) ( resid 13 and name H5 ) 7 7 0
assign ( resid 12 and name H2'' ) ( resid 13 and name H5 ) 5 5 0
assign ( resid 12 and name H3' ) ( resid 13 and name H5 ) 7 7 0
assign ( resid 13 and name H5 ) ( resid 14 and name H5 ) 6 6 0
assign ( resid 16 and name H1' ) ( resid 17 and name H2'' ) 7 7 0
assign ( resid 16 and name H2'' ) ( resid 17 and name H1' ) 7 7 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H5'' ) 6 6 0
assign ( resid 7 and name H2'' ) ( resid 8 and name H5' ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H5' ) 6 6 0
assign ( resid 9 and name H4' ) ( resid 10 and name H5'' ) 6 6 0
! backbone alpha + zeta constraints para A37
!
!
!      A9  
!  G8     A10   
!  U7  A11   
!   U6 - A12   
!   A5 - U13
!   G4 - C14
!   G3 - C15
!   G2 - C16
!   G1 - C17
!       5'        3'
! 
! 
! ****************************************************************************
! 
! alpha 
! 
! ****************************************************************************
! 
! note: since all P31 shifts cluster together, alpha and zeta are being 
!       constrained to exclude the trans conformation
!
! G1 (no constraint: no 5' phosphate in molecular model)
! 
! 
! G2 
! 
assign (segid ACSL and resid  1  and name O3') 
       (segid ACSL and resid  2  and name P  ) 
       (segid ACSL and resid  2  and name O5')
       (segid ACSL and resid  2  and name C5')  20.0  0.0 120.0 2
! 
! G3 
! 
assign (segid ACSL and resid  2  and name O3') 
       (segid ACSL and resid  3  and name P  ) 
       (segid ACSL and resid  3  and name O5')
       (segid ACSL and resid  3  and name C5')  20.0  0.0 120.0 2
! 
! G4 
! 
assign (segid ACSL and resid  3  and name O3') 
       (segid ACSL and resid  4  and name P  ) 
       (segid ACSL and resid  4  and name O5')
       (segid ACSL and resid  4  and name C5')  20.0  0.0 120.0 2
! 
! A5 
! 
assign (segid ACSL and resid  4  and name O3') 
       (segid ACSL and resid  5  and name P  ) 
       (segid ACSL and resid  5  and name O5')
       (segid ACSL and resid  5  and name C5')  20.0  0.0 120.0 2
! 
! U6 
! 
assign (segid ACSL and resid  5  and name O3') 
       (segid ACSL and resid  6  and name P  ) 
       (segid ACSL and resid  6  and name O5')
       (segid ACSL and resid  6  and name C5')  20.0  0.0 120.0 2
! 
! U13 
! 
assign (segid ACSL and resid 12  and name O3') 
       (segid ACSL and resid 13  and name P  ) 
       (segid ACSL and resid 13  and name O5')
       (segid ACSL and resid 13  and name C5')  20.0  0.0 120.0 2
! 
! C14 
! 
assign (segid ACSL and resid 13  and name O3') 
       (segid ACSL and resid 14  and name P  ) 
       (segid ACSL and resid 14  and name O5')
       (segid ACSL and resid 14  and name C5')  20.0  0.0 120.0 2
! 
! C15 
! 
assign (segid ACSL and resid 14  and name O3') 
       (segid ACSL and resid 15  and name P  ) 
       (segid ACSL and resid 15  and name O5')
       (segid ACSL and resid 15  and name C5')  20.0  0.0 120.0 2
! 
! C16 
! 
assign (segid ACSL and resid 15  and name O3') 
       (segid ACSL and resid 16  and name P  ) 
       (segid ACSL and resid 16  and name O5')
       (segid ACSL and resid 16  and name C5')  20.0  0.0 120.0 2
! 
! C17 
! 
assign (segid ACSL and resid 16  and name O3') 
       (segid ACSL and resid 17  and name P  ) 
       (segid ACSL and resid 17  and name O5')
       (segid ACSL and resid 17  and name C5')  20.0  0.0 120.0 2
! 
! ****************************************************************************
! 
! zeta 
! 
! ****************************************************************************
! 
! note: since all P31 shifts cluster together, alpha and zeta are being 
!       constrained to within exclude the trans conformation
!
! G1 
! 
assign (segid ACSL and resid  1  and name C3') 
       (segid ACSL and resid  1  and name O3') 
       (segid ACSL and resid  2  and name P  )
       (segid ACSL and resid  2  and name O5')  20.0  0.0 120.0 2
! 
! G2 
! 
assign (segid ACSL and resid  2  and name C3') 
       (segid ACSL and resid  2  and name O3') 
       (segid ACSL and resid  3  and name P  )
       (segid ACSL and resid  3  and name O5')  20.0  0.0 120.0 2
! 
! G3 
! 
assign (segid ACSL and resid  3  and name C3') 
       (segid ACSL and resid  3  and name O3') 
       (segid ACSL and resid  4  and name P  )
       (segid ACSL and resid  4  and name O5')  20.0  0.0 120.0 2
! 
! G4 
! 
assign (segid ACSL and resid  4  and name C3') 
       (segid ACSL and resid  4  and name O3') 
       (segid ACSL and resid  5  and name P  )
       (segid ACSL and resid  5  and name O5')  20.0  0.0 120.0 2
! 
! A5 
! 
assign (segid ACSL and resid  5  and name C3') 
       (segid ACSL and resid  5  and name O3') 
       (segid ACSL and resid  6  and name P  )
       (segid ACSL and resid  6  and name O5')  20.0  0.0 120.0 2
! 
! A12 
! 
assign (segid ACSL and resid 12  and name C3') 
       (segid ACSL and resid 12  and name O3') 
       (segid ACSL and resid 13  and name P  )
       (segid ACSL and resid 13  and name O5')  20.0  0.0 120.0 2
 
! U13 
! 
assign (segid ACSL and resid 13  and name C3') 
       (segid ACSL and resid 13  and name O3') 
       (segid ACSL and resid 14  and name P  )
       (segid ACSL and resid 14  and name O5')  20.0  0.0 120.0 2

! C14 
! 
assign (segid ACSL and resid 14  and name C3') 
       (segid ACSL and resid 14  and name O3') 
       (segid ACSL and resid 15  and name P  )
       (segid ACSL and resid 15  and name O5')  20.0  0.0 120.0 2
! 
! C15 
! 
assign (segid ACSL and resid 15  and name C3') 
       (segid ACSL and resid 15  and name O3') 
       (segid ACSL and resid 16  and name P  )
       (segid ACSL and resid 16  and name O5')  20.0  0.0 120.0 2
! 
! C16 
! 
assign (segid ACSL and resid 16  and name C3') 
       (segid ACSL and resid 16  and name O3') 
       (segid ACSL and resid 17  and name P  )
       (segid ACSL and resid 17  and name O5')  20.0  0.0 120.0 2
!
!Beta torsion angle constraints
!G3
assign (segid ACSL and resid 3  and name P  )
       (segid ACSL and resid 3  and name O5')
       (segid ACSL and resid 3  and name C5')
       (segid ACSL and resid 3  and name C4') 20.0 180.0  40.0  2

!G4
assign (segid ACSL and resid 4  and name P  )
       (segid ACSL and resid 4  and name O5')
       (segid ACSL and resid 4  and name C5')
       (segid ACSL and resid 4  and name C4') 20.0 180.0  40.0  2

!A5
assign (segid ACSL and resid 5  and name P  )
       (segid ACSL and resid 5  and name O5')
       (segid ACSL and resid 5  and name C5')
       (segid ACSL and resid 5  and name C4') 20.0 180.0  40.0  2
!
!Gamma torsion angle constraints
!A8  4/17/01
assign (segid ACSL and resid 8  and name O5')
       (segid ACSL and resid 8  and name C5')
       (segid ACSL and resid 8  and name C4')
       (segid ACSL and resid 8  and name C3') 20.0 120.0  120.0  2

!A10 4/17/01
assign (segid ACSL and resid 10  and name O5')
       (segid ACSL and resid 10  and name C5')
       (segid ACSL and resid 10  and name C4')
       (segid ACSL and resid 10  and name C3') 20.0 120.0  120.0  2

!C14
assign (segid ACSL and resid 14  and name O5')
       (segid ACSL and resid 14  and name C5')
       (segid ACSL and resid 14  and name C4')
       (segid ACSL and resid 14  and name C3') 20.0 60.0  20.0  2

!C15 4/17/01
assign (segid ACSL and resid 15  and name O5')
       (segid ACSL and resid 15  and name C5')
       (segid ACSL and resid 15  and name C4')
       (segid ACSL and resid 15  and name C3') 20.0 60.0  20.0  2

!C16 4/17/01
assign (segid ACSL and resid 16  and name O5')
       (segid ACSL and resid 16  and name C5')
       (segid ACSL and resid 16  and name C4')
       (segid ACSL and resid 16  and name C3') 20.0 60.0  20.0  2

! Epsilon torsion angles
!trans o gauche-
!   
!G1 trans
assign (segid ACSL and resid 1  and name C4') 
       (segid ACSL and resid 1  and name C3') 
       (segid ACSL and resid 1  and name O3') 
       (segid ACSL and resid 2  and name P  )  20.0  210.0 40.0 2
!G2 trans
assign (segid ACSL and resid 2  and name C4')
       (segid ACSL and resid 2  and name C3') 
       (segid ACSL and resid 2  and name O3') 
       (segid ACSL and resid 3  and name P  )  20.0  210.0 40.0 2
!G3 trans
assign (segid ACSL and resid 3  and name C4')
       (segid ACSL and resid 3  and name C3') 
       (segid ACSL and resid 3  and name O3') 
       (segid ACSL and resid 4  and name P  )  20.0  210.0 40.0 2
!G4 trans
assign (segid ACSL and resid 4  and name C4')
       (segid ACSL and resid 4  and name C3') 
       (segid ACSL and resid 4  and name O3') 
       (segid ACSL and resid 5  and name P  )  20.0  210.0 40.0 2
!A5 trans
assign (segid ACSL and resid 5  and name C4')
       (segid ACSL and resid 5  and name C3') 
       (segid ACSL and resid 5  and name O3') 
       (segid ACSL and resid 6  and name P  )  20.0  210.0 40.0 2
!U6 trans
assign (segid ACSL and resid 6  and name C4')
       (segid ACSL and resid 6  and name C3') 
       (segid ACSL and resid 6  and name O3') 
       (segid ACSL and resid 7  and name P  )  20.0  210.0 40.0 2
!U7 trans
assign (segid ACSL and resid 7  and name C4')
       (segid ACSL and resid 7  and name C3') 
       (segid ACSL and resid 7  and name O3') 
       (segid ACSL and resid 8  and name P  )  20.0  210.0 40.0 2
!G8 trans o gauche-
assign (segid ACSL and resid 8  and name C4')
       (segid ACSL and resid 8  and name C3') 
       (segid ACSL and resid 8  and name O3') 
       (segid ACSL and resid 9  and name P  )  20.0  235.0 65.0 2
!A9 gauche- SOLO 48ms LOWER DA <5Hz puesto 7/2/00
assign (segid ACSL and resid 9  and name C4')
       (segid ACSL and resid 9  and name C3') 
       (segid ACSL and resid 9  and name O3') 
       (segid ACSL and resid 10 and name P  )  20.0  260.0 40.0 2
!A10 trans? o gauche- 
assign (segid ACSL and resid 10 and name C4')
       (segid ACSL and resid 10 and name C3') 
       (segid ACSL and resid 10 and name O3') 
       (segid ACSL and resid 11 and name P  )  20.0  235.0 65.0 2
!A11 trans
assign (segid ACSL and resid 11 and name C4')
       (segid ACSL and resid 11 and name C3') 
       (segid ACSL and resid 11 and name O3') 
       (segid ACSL and resid 12 and name P  )  20.0  210.0 40.0 2
!U12 trans
assign (segid ACSL and resid 12 and name C4')
       (segid ACSL and resid 12 and name C3') 
       (segid ACSL and resid 12 and name O3') 
       (segid ACSL and resid 13 and name P  )  20.0  210.0 40.0 2
!C13 trans
assign (segid ACSL and resid 13 and name C4')
       (segid ACSL and resid 13 and name C3') 
       (segid ACSL and resid 13 and name O3') 
       (segid ACSL and resid 14 and name P  )  20.0  210.0 40.0 2
!C14 trans
assign (segid ACSL and resid 14 and name C4')
       (segid ACSL and resid 14 and name C3') 
       (segid ACSL and resid 14 and name O3') 
       (segid ACSL and resid 15 and name P  )  20.0  210.0 40.0 2
!C15 trans
assign (segid ACSL and resid 15 and name C4')
       (segid ACSL and resid 15 and name C3')
       (segid ACSL and resid 15 and name O3')
       (segid ACSL and resid 16 and name P  )  20.0  210.0 40.0 2
!C16 trans
assign (segid ACSL and resid 16 and name C4')
       (segid ACSL and resid 16 and name C3') 
       (segid ACSL and resid 16 and name O3') 
       (segid ACSL and resid 17 and name P  )  20.0  210.0 40.0 2



! Torsion angle constraints about delta and nu 0 
! to apply c3 or c2 prime endo sugar pucker 
! Angles determined from model built A-form/B-form ribose 
!
!  3'ENDO SUGAR CONSTRAINTS (for residues 1,2,3,4,5,6,12,13,14,15,16,17)
assign (segid ACSL and resid 2  and name C2') 
       (segid ACSL and resid 2  and name C1') 
       (segid ACSL and resid 2  and name O4') 
       (segid ACSL and resid 2  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 2  and name O4') 
       (segid ACSL and resid 2  and name C4') 
       (segid ACSL and resid 2  and name C3') 
       (segid ACSL and resid 2  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 3  and name C2') 
       (segid ACSL and resid 3  and name C1') 
       (segid ACSL and resid 3  and name O4') 
       (segid ACSL and resid 3  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 3  and name O4') 
       (segid ACSL and resid 3  and name C4') 
       (segid ACSL and resid 3  and name C3') 
       (segid ACSL and resid 3  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 4  and name C2') 
       (segid ACSL and resid 4  and name C1') 
       (segid ACSL and resid 4  and name O4') 
       (segid ACSL and resid 4  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 4  and name O4') 
       (segid ACSL and resid 4  and name C4') 
       (segid ACSL and resid 4  and name C3') 
       (segid ACSL and resid 4  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 5  and name C2') 
       (segid ACSL and resid 5  and name C1') 
       (segid ACSL and resid 5  and name O4') 
       (segid ACSL and resid 5  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 5  and name O4') 
       (segid ACSL and resid 5  and name C4') 
       (segid ACSL and resid 5  and name C3') 
       (segid ACSL and resid 5  and name C2')  20.0  324 2.5 2 
assign (segid ACSL and resid 6  and name C2') 
       (segid ACSL and resid 6  and name C1') 
       (segid ACSL and resid 6  and name O4') 
       (segid ACSL and resid 6  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 6  and name O4') 
       (segid ACSL and resid 6  and name C4') 
       (segid ACSL and resid 6  and name C3') 
       (segid ACSL and resid 6  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 12  and name C2') 
       (segid ACSL and resid 12  and name C1') 
       (segid ACSL and resid 12  and name O4') 
       (segid ACSL and resid 12  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 12  and name O4') 
       (segid ACSL and resid 12  and name C4') 
       (segid ACSL and resid 12  and name C3') 
       (segid ACSL and resid 12  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 13  and name C2') 
       (segid ACSL and resid 13  and name C1') 
       (segid ACSL and resid 13  and name O4') 
       (segid ACSL and resid 13  and name C4')  20.0  3.4  1.0 2 
assign (segid ACSL and resid 13  and name O4') 
       (segid ACSL and resid 13  and name C4') 
       (segid ACSL and resid 13  and name C3') 
       (segid ACSL and resid 13  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 14  and name C2') 
       (segid ACSL and resid 14  and name C1') 
       (segid ACSL and resid 14  and name O4') 
       (segid ACSL and resid 14  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 14  and name O4') 
       (segid ACSL and resid 14  and name C4') 
       (segid ACSL and resid 14  and name C3') 
       (segid ACSL and resid 14  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 15  and name C2') 
       (segid ACSL and resid 15  and name C1') 
       (segid ACSL and resid 15  and name O4') 
       (segid ACSL and resid 15  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 15  and name O4') 
       (segid ACSL and resid 15  and name C4') 
       (segid ACSL and resid 15  and name C3') 
       (segid ACSL and resid 15  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 16  and name C2') 
       (segid ACSL and resid 16  and name C1') 
       (segid ACSL and resid 16  and name O4') 
       (segid ACSL and resid 16  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 16  and name O4') 
       (segid ACSL and resid 16  and name C4') 
       (segid ACSL and resid 16  and name C3') 
       (segid ACSL and resid 16  and name C2')  20.0  324 2.5 2
assign (segid ACSL and resid 17  and name C2') 
       (segid ACSL and resid 17  and name C1') 
       (segid ACSL and resid 17  and name O4') 
       (segid ACSL and resid 17  and name C4')  20.0  3.4  1.0 2
assign (segid ACSL and resid 17  and name O4') 
       (segid ACSL and resid 17  and name C4') 
       (segid ACSL and resid 17  and name C3') 
       (segid ACSL and resid 17  and name C2')  20.0  324 2.5 2
!
!     2'ENDO SUGAR CONSTRAINTS (for residues 8,9)
!
assign (segid ACSL and resid 8  and name C2') 
       (segid ACSL and resid 8  and name C1') 
       (segid ACSL and resid 8  and name O4') 
       (segid ACSL and resid 8  and name C4')  20.0  356  2.5 2
assign (segid ACSL and resid 8  and name O4') 
       (segid ACSL and resid 8  and name C4') 
       (segid ACSL and resid 8  and name C3') 
       (segid ACSL and resid 8  and name C2')  20.0  33 1.0 2
assign (segid ACSL and resid 9  and name C2') 
       (segid ACSL and resid 9  and name C1') 
       (segid ACSL and resid 9  and name O4') 
       (segid ACSL and resid 9  and name C4')  20.0  356  2.5 2
assign (segid ACSL and resid 9  and name O4') 
       (segid ACSL and resid 9  and name C4') 
       (segid ACSL and resid 9  and name C3') 
       (segid ACSL and resid 9  and name C2')  20.0  33 1.0 2
!assign (segid ACSL and resid 10  and name C2') 
!       (segid ACSL and resid 10  and name C1') 
!       (segid ACSL and resid 10  and name O4') 
!       (segid ACSL and resid 10  and name C4')  20.0  356  2.5 2
!assign (segid ACSL and resid 10  and name O4') 
!       (segid ACSL and resid 10  and name C4') 
!       (segid ACSL and resid 10  and name C3') 
!       (segid ACSL and resid 10  and name C2')  20.0  33 1.0 2
!
!    UNCONSTRAINED SUGAR PUCKER (residues 7,10,11)
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  14.347  -8.604  12.833
    2   2H5*    G   1          2H5*        G   1  14.325  -8.335  11.069
    3    H4*    G   1           H4*        G   1  16.701  -7.327  12.604
    4    H3*    G   1           H3*        G   1  13.879  -6.380  13.105
    5    H2*    G   1           H2*        G   1  14.382  -4.150  12.773
    6   2HO*    G   1          2HO*        G   1  16.039  -3.920  14.232
    7    H1*    G   1           H1*        G   1  16.518  -4.400  10.958
    8    H8     G   1           H8         G   1  13.091  -6.083  10.330
    9    H1     G   1           H1         G   1  13.695  -0.310   7.678
   10   1H2     G   1          1H2         G   1  16.743  -0.187   9.379
   11   2H2     G   1          2H2         G   1  15.618   0.620   8.309
   12    H5T    G   1           H5T        G   1  15.319 -10.324  11.727
   13   1H5*    G   2          1H5*        G   2  12.485  -4.184  16.727
   14   2H5*    G   2          2H5*        G   2  12.760  -4.430  14.980
   15    H4*    G   2           H4*        G   2  14.405  -2.392  16.498
   16    H3*    G   2           H3*        G   2  11.455  -2.123  15.788
   17    H2*    G   2           H2*        G   2  11.822   0.110  15.146
   18   2HO*    G   2          2HO*        G   2  14.486   0.042  16.135
   19    H1*    G   2           H1*        G   2  14.269  -0.272  13.914
   20    H8     G   2           H8         G   2  12.030  -3.062  12.789
   21    H1     G   2           H1         G   2  10.648   2.454   9.902
   22   1H2     G   2          1H2         G   2  12.737   3.882  12.302
   23   2H2     G   2          2H2         G   2  11.700   4.131  10.916
   24   1H5*    G   3          1H5*        G   3  12.622   1.348  18.102
   25   2H5*    G   3          2H5*        G   3  11.532   1.485  19.508
   26    H4*    G   3           H4*        G   3  11.944   3.661  18.329
   27    H3*    G   3           H3*        G   3   9.152   2.453  18.261
   28    H2*    G   3           H2*        G   3   8.362   4.325  17.070
   29   2HO*    G   3          2HO*        G   3  10.724   5.573  18.037
   30    H1*    G   3           H1*        G   3  10.584   4.673  15.440
   31    H8     G   3           H8         G   3   9.688   1.006  15.622
   32    H1     G   3           H1         G   3   5.953   4.224  11.563
   33   1H2     G   3          1H2         G   3   7.416   7.072  12.962
   34   2H2     G   3          2H2         G   3   6.282   6.414  11.803
   35   1H5*    G   4          1H5*        G   4   5.543   4.569  20.326
   36   2H5*    G   4          2H5*        G   4   6.297   3.623  19.013
   37    H4*    G   4           H4*        G   4   6.167   6.624  18.746
   38    H3*    G   4           H3*        G   4   3.743   4.782  18.730
   39    H2*    G   4           H2*        G   4   2.874   5.909  16.858
   40   2HO*    G   4          2HO*        G   4   3.035   8.021  16.992
   41    H1*    G   4           H1*        G   4   5.284   6.334  15.536
   42    H8     G   4           H8         G   4   5.054   2.789  16.865
   43    H1     G   4           H1         G   4   1.952   3.574  11.344
   44   1H2     G   4          1H2         G   4   2.486   6.982  11.882
   45   2H2     G   4          2H2         G   4   1.809   5.741  10.851
   46   1H5*    A   5          1H5*        A   5  -0.626   6.820  19.527
   47   2H5*    A   5          2H5*        A   5   0.441   5.506  18.986
   48    H4*    A   5           H4*        A   5   0.197   7.998  17.288
   49    H3*    A   5           H3*        A   5  -1.851   5.760  17.582
   50    H2*    A   5           H2*        A   5  -2.195   5.749  15.250
   51   2HO*    A   5          2HO*        A   5  -2.324   7.984  14.894
   52    H1*    A   5           H1*        A   5   0.449   6.064  14.505
   53    H8     A   5           H8         A   5   0.892   3.609  17.139
   54   1H6     A   5          1H6         A   5  -1.559  -0.758  13.546
   55   2H6     A   5          2H6         A   5  -0.647  -0.447  15.006
   56    H2     A   5           H2         A   5  -2.468   3.240  11.695
   57   1H5*    U   6          2H5*        U   6  -6.812   7.550  16.837
   58   2H5*    U   6          1H5*        U   6  -5.764   6.202  17.329
   59    H4*    U   6           H4*        U   6  -5.462   7.534  14.610
   60    H3*    U   6           H3*        U   6  -7.399   5.356  15.497
   61    H2*    U   6           H2*        U   6  -7.029   4.191  13.481
   62   2HO*    U   6          2HO*        U   6  -5.610   6.465  12.485
   63    H1*    U   6           H1*        U   6  -4.304   4.655  13.304
   64    H3     U   6           H3         U   6  -6.319   0.358  14.433
   65    H5     U   6           H5         U   6  -3.750   1.751  17.465
   66    H6     U   6           H6         U   6  -3.738   3.921  16.372
   67   1H5*    U   7          1H5*        U   7  -8.188   5.599  11.322
   68   2H5*    U   7          2H5*        U   7  -9.761   6.419  11.265
   69    H4*    U   7           H4*        U   7  -9.498   4.369   9.741
   70    H3*    U   7           H3*        U   7 -11.703   4.855  11.716
   71    H2*    U   7           H2*        U   7 -12.596   2.724  11.575
   72   2HO*    U   7          2HO*        U   7 -12.160   1.360   9.744
   73    H1*    U   7           H1*        U   7 -10.333   1.223  11.030
   74    H3     U   7           H3         U   7 -12.537   0.015  14.973
   75    H5     U   7           H5         U   7  -9.315   2.522  16.002
   76    H6     U   7           H6         U   7  -9.103   3.107  13.650
   77   1H5*    G   8          1H5*        G   8 -14.378   4.113   8.567
   78   2H5*    G   8          2H5*        G   8 -15.922   4.853   9.051
   79    H4*    G   8           H4*        G   8 -15.153   2.233   9.467
   80    H3*    G   8           H3*        G   8 -17.401   3.675  10.038
   81    H2*    G   8           H2*        G   8 -16.692   4.667  12.041
   82   2HO*    G   8          2HO*        G   8 -17.903   3.723  13.565
   83    H1*    G   8           H1*        G   8 -15.408   2.103  13.017
   84    H8     G   8           H8         G   8 -14.145   5.707  12.228
   85    H1     G   8           H1         G   8 -13.658   3.993  18.353
   86   1H2     G   8          1H2         G   8 -15.248   1.055  17.340
   87   2H2     G   8          2H2         G   8 -14.544   1.974  18.651
   88   1H5*    A   9          1H5*        A   9 -16.787  -0.352  10.247
   89   2H5*    A   9          2H5*        A   9 -16.989  -0.890   8.569
   90    H4*    A   9           H4*        A   9 -17.690  -2.961   9.206
   91    H3*    A   9           H3*        A   9 -19.808  -1.643  10.296
   92    H2*    A   9           H2*        A   9 -18.826  -0.987  12.341
   93   2HO*    A   9          2HO*        A   9 -19.686  -2.353  13.921
   94    H1*    A   9           H1*        A   9 -17.603  -3.720  12.686
   95    H8     A   9           H8         A   9 -16.242  -0.036  12.533
   96   1H6     A   9          1H6         A   9 -13.752  -1.378  18.021
   97   2H6     A   9          2H6         A   9 -13.951  -0.135  16.806
   98    H2     A   9           H2         A   9 -15.986  -4.999  16.560
   99   1H5*    A  10          1H5*        A  10 -18.955  -7.083   9.742
  100   2H5*    A  10          2H5*        A  10 -18.360  -5.722  10.701
  101    H4*    A  10           H4*        A  10 -16.874  -7.121   8.433
  102    H3*    A  10           H3*        A  10 -17.069  -7.882  11.103
  103    H2*    A  10           H2*        A  10 -16.034  -5.989  12.027
  104   2HO*    A  10          2HO*        A  10 -14.678  -7.721  12.606
  105    H1*    A  10           H1*        A  10 -14.077  -5.937   9.715
  106    H8     A  10           H8         A  10 -14.881  -4.413  12.870
  107   1H6     A  10          1H6         A  10 -13.269   1.131  10.814
  108   2H6     A  10          2H6         A  10 -13.667   0.183  12.228
  109    H2     A  10           H2         A  10 -13.651  -1.581   7.293
  110   1H5*    A  11          1H5*        A  11 -13.818  -8.893   8.186
  111   2H5*    A  11          2H5*        A  11 -12.382  -9.926   8.333
  112    H4*    A  11           H4*        A  11 -12.044  -7.405   7.738
  113    H3*    A  11           H3*        A  11 -10.508  -9.180   9.504
  114    H2*    A  11           H2*        A  11 -10.171  -7.691  11.193
  115   2HO*    A  11          2HO*        A  11  -8.291  -7.231   9.954
  116    H1*    A  11           H1*        A  11 -11.094  -5.291   9.614
  117    H8     A  11           H8         A  11 -12.456  -7.412  12.581
  118   1H6     A  11          1H6         A  11 -11.822  -2.281  15.979
  119   2H6     A  11          2H6         A  11 -12.308  -3.964  16.007
  120    H2     A  11           H2         A  11 -10.490  -1.361  11.802
  121   1H5*    A  12          1H5*        A  12  -5.878  -6.846   6.494
  122   2H5*    A  12          2H5*        A  12  -6.424  -7.133   8.159
  123    H4*    A  12           H4*        A  12  -8.152  -5.491   6.291
  124    H3*    A  12           H3*        A  12  -5.601  -4.605   7.705
  125    H2*    A  12           H2*        A  12  -6.618  -2.550   8.249
  126   2HO*    A  12          2HO*        A  12  -8.763  -3.242   6.490
  127    H1*    A  12           H1*        A  12  -9.118  -3.551   8.885
  128    H8     A  12           H8         A  12  -6.947  -5.977  10.567
  129   1H6     A  12          1H6         A  12  -5.599  -1.808  14.898
  130   2H6     A  12          2H6         A  12  -5.509  -3.499  14.457
  131    H2     A  12           H2         A  12  -7.604   0.329  11.491
  132   1H5*    U  13          1H5*        U  13  -6.391  -1.532   4.717
  133   2H5*    U  13          2H5*        U  13  -4.899  -0.865   4.021
  134    H4*    U  13           H4*        U  13  -6.395   0.843   5.163
  135    H3*    U  13           H3*        U  13  -3.541   0.354   6.102
  136    H2*    U  13           H2*        U  13  -3.777   2.074   7.692
  137   2HO*    U  13          2HO*        U  13  -6.185   2.820   6.340
  138    H1*    U  13           H1*        U  13  -6.388   1.510   8.440
  139    H3     U  13           H3         U  13  -3.717   0.712  12.079
  140    H5     U  13           H5         U  13  -3.297  -2.715   9.668
  141    H6     U  13           H6         U  13  -4.545  -1.572   7.932
  142   1H5*    C  14          1H5*        C  14  -3.352   4.478   3.907
  143   2H5*    C  14          2H5*        C  14  -1.812   4.562   3.025
  144    H4*    C  14           H4*        C  14  -2.170   6.492   4.610
  145    H3*    C  14           H3*        C  14   0.149   4.565   5.037
  146    H2*    C  14           H2*        C  14   0.889   5.865   6.856
  147   2HO*    C  14          2HO*        C  14   0.023   7.964   7.261
  148    H1*    C  14           H1*        C  14  -1.612   6.442   7.913
  149   1H4     C  14          1H4         C  14   0.139   0.468  10.202
  150   2H4     C  14          2H4         C  14   0.673   1.613  11.405
  151    H5     C  14           H5         C  14  -0.783   1.124   8.070
  152    H6     C  14           H6         C  14  -1.437   3.021   6.667
  153   1H5*    C  15          2H5*        C  15   1.966   8.717   4.211
  154   2H5*    C  15          1H5*        C  15   3.558   8.482   3.460
  155    H4*    C  15           H4*        C  15   3.450   9.890   5.638
  156    H3*    C  15           H3*        C  15   5.319   7.523   5.221
  157    H2*    C  15           H2*        C  15   6.256   7.902   7.348
  158   2HO*    C  15          2HO*        C  15   4.871  10.405   7.408
  159    H1*    C  15           H1*        C  15   3.901   8.558   8.661
  160   1H4     C  15          1H4         C  15   4.466   1.937   8.626
  161   2H4     C  15          2H4         C  15   5.086   2.470  10.172
  162    H5     C  15           H5         C  15   3.778   3.457   6.883
  163    H6     C  15           H6         C  15   3.531   5.811   6.251
  164   1H5*    C  16          1H5*        C  16   8.001  10.245   6.574
  165   2H5*    C  16          2H5*        C  16   9.000  10.850   5.237
  166    H4*    C  16           H4*        C  16  10.549  10.498   6.995
  167    H3*    C  16           H3*        C  16  10.446   8.096   5.133
  168    H2*    C  16           H2*        C  16  12.095   7.026   6.430
  169   2HO*    C  16          2HO*        C  16  13.666   8.362   6.958
  170    H1*    C  16           H1*        C  16  11.185   7.844   8.920
  171   1H4     C  16          1H4         C  16   7.754   2.418   7.195
  172   2H4     C  16          2H4         C  16   9.019   1.879   8.277
  173    H5     C  16           H5         C  16   7.560   4.699   6.422
  174    H6     C  16           H6         C  16   8.534   6.943   6.524
  175   1H5*    C  17          1H5*        C  17  15.077   7.158   3.130
  176   2H5*    C  17          2H5*        C  17  13.490   6.621   3.720
  177    H4*    C  17           H4*        C  17  15.670   7.379   5.685
  178    H3*    C  17           H3*        C  17  15.382   4.779   4.126
  179    H2*    C  17           H2*        C  17  15.966   3.563   6.053
  180   2HO*    C  17          2HO*        C  17  17.616   4.472   7.057
  181    H1*    C  17           H1*        C  17  14.561   5.110   7.882
  182   1H4     C  17          1H4         C  17  10.230   0.798   5.296
  183   2H4     C  17          2H4         C  17  11.112  -0.134   6.486
  184    H5     C  17           H5         C  17  10.820   3.061   4.688
  185    H6     C  17           H6         C  17  12.371   4.913   5.097
  186    H3T    C  17           H3T        C  17  17.637   4.928   4.206
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  12.161  -8.847  11.469
    2   2H5*    G   1          2H5*        G   1  11.695  -8.258   9.851
    3    H4*    G   1           H4*        G   1  14.494  -8.008  11.064
    4    H3*    G   1           H3*        G   1  12.039  -6.330  11.442
    5    H2*    G   1           H2*        G   1  12.943  -4.374  10.693
    6   2HO*    G   1          2HO*        G   1  14.896  -3.705  11.310
    7    H1*    G   1           H1*        G   1  15.145  -5.334   9.164
    8    H8     G   1           H8         G   1  11.849  -6.492   7.789
    9    H1     G   1           H1         G   1  13.090  -0.439   6.194
   10   1H2     G   1          1H2         G   1  15.672  -0.674   8.534
   11   2H2     G   1          2H2         G   1  14.826   0.317   7.366
   12    H5T    G   1           H5T        G   1  13.251  -9.639   8.968
   13   1H5*    G   2          1H5*        G   2  15.289  -4.793  13.936
   14   2H5*    G   2          2H5*        G   2  14.835  -4.695  15.660
   15    H4*    G   2           H4*        G   2  15.976  -2.644  15.025
   16    H3*    G   2           H3*        G   2  12.951  -2.385  15.216
   17    H2*    G   2           H2*        G   2  13.103  -0.095  14.677
   18   2HO*    G   2          2HO*        G   2  14.972   1.088  14.891
   19    H1*    G   2           H1*        G   2  15.134  -0.305  12.797
   20    H8     G   2           H8         G   2  12.320  -2.920  12.557
   21    H1     G   2           H1         G   2  11.194   2.426   9.249
   22   1H2     G   2          1H2         G   2  14.062   3.639  10.831
   23   2H2     G   2          2H2         G   2  12.753   3.947   9.712
   24   1H5*    G   3          1H5*        G   3  10.912   0.314  18.370
   25   2H5*    G   3          2H5*        G   3  11.039  -0.455  16.763
   26    H4*    G   3           H4*        G   3  12.232   2.293  17.239
   27    H3*    G   3           H3*        G   3   9.268   1.615  17.042
   28    H2*    G   3           H2*        G   3   8.918   3.484  15.659
   29   2HO*    G   3          2HO*        G   3  11.570   4.372  16.255
   30    H1*    G   3           H1*        G   3  11.253   3.263  14.171
   31    H8     G   3           H8         G   3  10.253  -0.199  14.057
   32    H1     G   3           H1         G   3   5.912   3.307  10.953
   33   1H2     G   3          1H2         G   3   7.416   6.024  12.557
   34   2H2     G   3          2H2         G   3   6.176   5.462  11.457
   35   1H5*    G   4          1H5*        G   4   6.006   4.053  19.842
   36   2H5*    G   4          2H5*        G   4   6.452   2.947  18.513
   37    H4*    G   4           H4*        G   4   6.652   5.968  18.209
   38    H3*    G   4           H3*        G   4   4.125   4.270  18.158
   39    H2*    G   4           H2*        G   4   3.344   5.451  16.280
   40   2HO*    G   4          2HO*        G   4   4.280   7.450  15.635
   41    H1*    G   4           H1*        G   4   5.798   5.763  14.995
   42    H8     G   4           H8         G   4   5.627   2.190  16.063
   43    H1     G   4           H1         G   4   1.924   3.343  10.992
   44   1H2     G   4          1H2         G   4   2.472   6.706  11.748
   45   2H2     G   4          2H2         G   4   1.707   5.537  10.694
   46   1H5*    A   5          1H5*        A   5  -0.123   6.477  19.152
   47   2H5*    A   5          2H5*        A   5   0.866   5.137  18.536
   48    H4*    A   5           H4*        A   5   0.641   7.679  16.908
   49    H3*    A   5           H3*        A   5  -1.466   5.504  17.249
   50    H2*    A   5           H2*        A   5  -1.912   5.536  14.938
   51   2HO*    A   5          2HO*        A   5  -1.461   7.238  13.641
   52    H1*    A   5           H1*        A   5   0.705   5.825  14.075
   53    H8     A   5           H8         A   5   1.215   3.271  16.594
   54   1H6     A   5          1H6         A   5  -1.519  -0.911  12.985
   55   2H6     A   5          2H6         A   5  -0.533  -0.672  14.410
   56    H2     A   5           H2         A   5  -2.408   3.166  11.310
   57   1H5*    U   6          1H5*        U   6  -6.358   7.195  16.812
   58   2H5*    U   6          2H5*        U   6  -5.217   5.884  17.179
   59    H4*    U   6           H4*        U   6  -5.163   7.242  14.466
   60    H3*    U   6           H3*        U   6  -7.080   5.100  15.477
   61    H2*    U   6           H2*        U   6  -6.917   3.972  13.407
   62   2HO*    U   6          2HO*        U   6  -5.478   6.219  12.373
   63    H1*    U   6           H1*        U   6  -4.200   4.302  13.060
   64    H3     U   6           H3         U   6  -6.411   0.153  14.456
   65    H5     U   6           H5         U   6  -3.414   1.381  17.146
   66    H6     U   6           H6         U   6  -3.379   3.538  16.023
   67   1H5*    U   7          1H5*        U   7  -8.088   5.431  11.298
   68   2H5*    U   7          2H5*        U   7  -9.644   6.283  11.366
   69    H4*    U   7           H4*        U   7  -9.465   4.214   9.802
   70    H3*    U   7           H3*        U   7 -11.618   4.869  11.780
   71    H2*    U   7           H2*        U   7 -12.631   2.792  11.721
   72   2HO*    U   7          2HO*        U   7 -12.811   2.801   9.413
   73    H1*    U   7           H1*        U   7 -10.488   1.133  11.187
   74    H3     U   7           H3         U   7 -12.731   0.289  15.228
   75    H5     U   7           H5         U   7  -9.230   2.470  16.077
   76    H6     U   7           H6         U   7  -9.037   2.958  13.701
   77   1H5*    G   8          1H5*        G   8 -14.357   4.074   8.615
   78   2H5*    G   8          2H5*        G   8 -15.870   4.879   9.088
   79    H4*    G   8           H4*        G   8 -15.205   2.224   9.502
   80    H3*    G   8           H3*        G   8 -17.412   3.754  10.010
   81    H2*    G   8           H2*        G   8 -16.734   4.706  12.036
   82   2HO*    G   8          2HO*        G   8 -17.884   2.181  12.747
   83    H1*    G   8           H1*        G   8 -15.574   2.096  13.042
   84    H8     G   8           H8         G   8 -14.074   5.608  12.289
   85    H1     G   8           H1         G   8 -14.091   4.002  18.463
   86   1H2     G   8          1H2         G   8 -15.802   1.148  17.400
   87   2H2     G   8          2H2         G   8 -15.125   2.050  18.738
   88   1H5*    A   9          2H5*        A   9 -16.835  -0.461  10.004
   89   2H5*    A   9          1H5*        A   9 -17.472  -0.880   8.400
   90    H4*    A   9           H4*        A   9 -17.723  -3.021   9.076
   91    H3*    A   9           H3*        A   9 -19.956  -1.896  10.152
   92    H2*    A   9           H2*        A   9 -19.065  -1.206  12.220
   93   2HO*    A   9          2HO*        A   9 -20.049  -2.486  13.677
   94    H1*    A   9           H1*        A   9 -17.633  -3.837  12.545
   95    H8     A   9           H8         A   9 -16.471  -0.091  12.426
   96   1H6     A   9          1H6         A   9 -14.224  -1.245  18.061
   97   2H6     A   9          2H6         A   9 -14.419  -0.028  16.819
   98    H2     A   9           H2         A   9 -16.209  -4.984  16.536
   99   1H5*    A  10          1H5*        A  10 -18.735  -7.283   9.591
  100   2H5*    A  10          2H5*        A  10 -18.277  -5.898  10.590
  101    H4*    A  10           H4*        A  10 -16.589  -7.194   8.405
  102    H3*    A  10           H3*        A  10 -16.888  -7.940  11.078
  103    H2*    A  10           H2*        A  10 -15.957  -6.019  12.034
  104   2HO*    A  10          2HO*        A  10 -14.546  -7.730  12.618
  105    H1*    A  10           H1*        A  10 -13.934  -5.878   9.785
  106    H8     A  10           H8         A  10 -14.975  -4.385  12.906
  107   1H6     A  10          1H6         A  10 -13.379   1.195  10.936
  108   2H6     A  10          2H6         A  10 -13.837   0.239  12.326
  109    H2     A  10           H2         A  10 -13.460  -1.536   7.408
  110   1H5*    A  11          2H5*        A  11 -13.527  -8.844   8.336
  111   2H5*    A  11          1H5*        A  11 -12.090  -9.872   8.492
  112    H4*    A  11           H4*        A  11 -11.701  -7.373   7.951
  113    H3*    A  11           H3*        A  11 -10.308  -9.109   9.886
  114    H2*    A  11           H2*        A  11 -10.059  -7.546  11.516
  115   2HO*    A  11          2HO*        A  11  -8.115  -7.034  10.615
  116    H1*    A  11           H1*        A  11 -10.924  -5.219   9.802
  117    H8     A  11           H8         A  11 -12.390  -7.263  12.775
  118   1H6     A  11          1H6         A  11 -12.030  -2.004  16.012
  119   2H6     A  11          2H6         A  11 -12.478  -3.696  16.079
  120    H2     A  11           H2         A  11 -10.534  -1.196  11.869
  121   1H5*    A  12          1H5*        A  12  -8.002  -7.191   6.059
  122   2H5*    A  12          2H5*        A  12  -6.386  -6.468   6.162
  123    H4*    A  12           H4*        A  12  -8.718  -5.021   6.019
  124    H3*    A  12           H3*        A  12  -6.032  -4.373   7.298
  125    H2*    A  12           H2*        A  12  -6.889  -2.300   8.016
  126   2HO*    A  12          2HO*        A  12  -8.784  -1.413   7.201
  127    H1*    A  12           H1*        A  12  -9.396  -3.201   8.763
  128    H8     A  12           H8         A  12  -7.140  -5.790  10.120
  129   1H6     A  12          1H6         A  12  -5.495  -1.939  14.644
  130   2H6     A  12          2H6         A  12  -5.436  -3.594  14.076
  131    H2     A  12           H2         A  12  -7.733   0.427  11.547
  132   1H5*    U  13          1H5*        U  13  -6.971  -1.181   4.636
  133   2H5*    U  13          2H5*        U  13  -5.592  -0.484   3.761
  134    H4*    U  13           H4*        U  13  -6.857   1.213   5.110
  135    H3*    U  13           H3*        U  13  -3.965   0.578   5.811
  136    H2*    U  13           H2*        U  13  -4.009   2.235   7.483
  137   2HO*    U  13          2HO*        U  13  -4.976   3.944   6.465
  138    H1*    U  13           H1*        U  13  -6.581   1.737   8.399
  139    H3     U  13           H3         U  13  -3.763   0.656  11.831
  140    H5     U  13           H5         U  13  -3.511  -2.618   9.194
  141    H6     U  13           H6         U  13  -4.829  -1.356   7.598
  142   1H5*    C  14          1H5*        C  14  -3.429   4.739   3.394
  143   2H5*    C  14          2H5*        C  14  -1.808   4.553   2.695
  144    H4*    C  14           H4*        C  14  -2.204   6.565   4.284
  145    H3*    C  14           H3*        C  14   0.056   4.551   4.610
  146    H2*    C  14           H2*        C  14   0.876   5.784   6.441
  147   2HO*    C  14          2HO*        C  14   0.221   7.895   6.883
  148    H1*    C  14           H1*        C  14  -1.581   6.411   7.567
  149   1H4     C  14          1H4         C  14   0.061   0.339   9.682
  150   2H4     C  14          2H4         C  14   0.732   1.441  10.858
  151    H5     C  14           H5         C  14  -0.979   1.070   7.626
  152    H6     C  14           H6         C  14  -1.628   3.016   6.287
  153   1H5*    C  15          1H5*        C  15   1.768   8.628   4.205
  154   2H5*    C  15          2H5*        C  15   3.431   8.604   3.582
  155    H4*    C  15           H4*        C  15   2.971   9.629   5.958
  156    H3*    C  15           H3*        C  15   5.164   7.631   5.273
  157    H2*    C  15           H2*        C  15   5.931   7.720   7.498
  158   2HO*    C  15          2HO*        C  15   5.876   9.978   7.775
  159    H1*    C  15           H1*        C  15   3.443   7.823   8.724
  160   1H4     C  15          1H4         C  15   4.854   1.437   7.562
  161   2H4     C  15          2H4         C  15   5.386   1.758   9.197
  162    H5     C  15           H5         C  15   4.005   3.152   6.089
  163    H6     C  15           H6         C  15   3.486   5.536   5.869
  164   1H5*    C  16          1H5*        C  16   7.968  10.525   7.196
  165   2H5*    C  16          2H5*        C  16   8.692  11.191   5.717
  166    H4*    C  16           H4*        C  16  10.558  10.708   7.094
  167    H3*    C  16           H3*        C  16  10.007   8.422   5.164
  168    H2*    C  16           H2*        C  16  11.852   7.248   6.035
  169   2HO*    C  16          2HO*        C  16  13.508   8.208   7.115
  170    H1*    C  16           H1*        C  16  11.505   7.941   8.698
  171   1H4     C  16          1H4         C  16   7.634   2.677   7.504
  172   2H4     C  16          2H4         C  16   9.104   2.053   8.221
  173    H5     C  16           H5         C  16   7.329   5.006   6.934
  174    H6     C  16           H6         C  16   8.364   7.227   6.931
  175   1H5*    C  17          1H5*        C  17  14.003   7.377   2.263
  176   2H5*    C  17          2H5*        C  17  12.531   6.910   3.144
  177    H4*    C  17           H4*        C  17  15.090   7.388   4.684
  178    H3*    C  17           H3*        C  17  14.395   4.952   2.991
  179    H2*    C  17           H2*        C  17  15.262   3.546   4.664
  180   2HO*    C  17          2HO*        C  17  16.505   5.911   5.651
  181    H1*    C  17           H1*        C  17  14.295   4.956   6.850
  182   1H4     C  17          1H4         C  17   9.320   1.086   4.799
  183   2H4     C  17          2H4         C  17  10.379  -0.008   5.661
  184    H5     C  17           H5         C  17   9.898   3.379   4.318
  185    H6     C  17           H6         C  17  11.603   5.117   4.574
  186    H3T    C  17           H3T        C  17  16.662   5.005   2.715
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   1.217  -9.316  20.665
    2   2H5*    G   1          2H5*        G   1   1.072  -9.448  18.892
    3    H4*    G   1           H4*        G   1   3.040 -11.196  20.390
    4    H3*    G   1           H3*        G   1   3.102  -8.303  20.535
    5    H2*    G   1           H2*        G   1   4.353  -7.799  18.711
    6   2HO*    G   1          2HO*        G   1   6.513  -8.274  18.848
    7    H1*    G   1           H1*        G   1   5.305 -10.507  18.002
    8    H8     G   1           H8         G   1   2.159  -9.515  16.295
    9    H1     G   1           H1         G   1   7.233  -6.930  13.414
   10   1H2     G   1          1H2         G   1   8.985  -7.931  16.262
   11   2H2     G   1          2H2         G   1   9.036  -7.144  14.699
   12    H5T    G   1           H5T        G   1  -0.364 -10.831  20.065
   13   1H5*    G   2          1H5*        G   2   5.749  -5.898  22.902
   14   2H5*    G   2          2H5*        G   2   5.265  -6.294  21.228
   15    H4*    G   2           H4*        G   2   8.160  -6.358  22.207
   16    H3*    G   2           H3*        G   2   6.504  -4.000  21.214
   17    H2*    G   2           H2*        G   2   8.374  -3.192  20.038
   18   2HO*    G   2          2HO*        G   2   9.963  -5.125  21.427
   19    H1*    G   2           H1*        G   2   9.288  -5.637  19.120
   20    H8     G   2           H8         G   2   5.584  -5.691  18.662
   21    H1     G   2           H1         G   2   8.419  -1.893  14.403
   22   1H2     G   2          1H2         G   2  11.248  -2.255  16.409
   23   2H2     G   2          2H2         G   2  10.543  -1.552  14.970
   24   1H5*    G   3          1H5*        G   3   9.687  -1.465  21.749
   25   2H5*    G   3          2H5*        G   3   9.307  -0.750  23.339
   26    H4*    G   3           H4*        G   3   9.832   1.146  22.078
   27    H3*    G   3           H3*        G   3   6.887   0.576  21.556
   28    H2*    G   3           H2*        G   3   6.797   2.479  20.163
   29   2HO*    G   3          2HO*        G   3   8.363   4.064  20.159
   30    H1*    G   3           H1*        G   3   9.238   2.064  18.919
   31    H8     G   3           H8         G   3   7.188  -1.130  19.382
   32    H1     G   3           H1         G   3   5.500   2.220  14.223
   33   1H2     G   3          1H2         G   3   7.641   4.669  15.487
   34   2H2     G   3          2H2         G   3   6.546   4.185  14.211
   35   1H5*    G   4          1H5*        G   4   4.892   4.437  23.529
   36   2H5*    G   4          2H5*        G   4   3.386   3.604  23.065
   37    H4*    G   4           H4*        G   4   4.976   5.637  21.673
   38    H3*    G   4           H3*        G   4   2.247   4.337  21.324
   39    H2*    G   4           H2*        G   4   2.099   5.212  19.148
   40   2HO*    G   4          2HO*        G   4   4.336   6.881  19.793
   41    H1*    G   4           H1*        G   4   4.766   4.869  18.442
   42    H8     G   4           H8         G   4   3.364   1.779  20.154
   43    H1     G   4           H1         G   4   1.809   2.164  13.973
   44   1H2     G   4          1H2         G   4   3.108   5.396  14.171
   45   2H2     G   4          2H2         G   4   2.362   4.166  13.176
   46   1H5*    A   5          2H5*        A   5  -1.628   6.869  20.693
   47   2H5*    A   5          1H5*        A   5  -0.621   5.419  20.492
   48    H4*    A   5           H4*        A   5  -0.342   7.681  18.507
   49    H3*    A   5           H3*        A   5  -2.634   5.682  18.697
   50    H2*    A   5           H2*        A   5  -2.618   5.437  16.352
   51   2HO*    A   5          2HO*        A   5  -2.438   7.595  15.728
   52    H1*    A   5           H1*        A   5   0.125   5.395  16.033
   53    H8     A   5           H8         A   5  -0.272   3.275  19.000
   54   1H6     A   5          1H6         A   5  -2.410  -1.260  15.403
   55   2H6     A   5          2H6         A   5  -1.809  -0.858  16.997
   56    H2     A   5           H2         A   5  -2.364   2.535  12.993
   57   1H5*    U   6          1H5*        U   6  -7.118   7.455  16.753
   58   2H5*    U   6          2H5*        U   6  -6.134   6.131  17.415
   59    H4*    U   6           H4*        U   6  -5.383   7.397  14.767
   60    H3*    U   6           H3*        U   6  -7.594   5.372  15.303
   61    H2*    U   6           H2*        U   6  -6.969   4.172  13.371
   62   2HO*    U   6          2HO*        U   6  -6.463   6.508  12.366
   63    H1*    U   6           H1*        U   6  -4.221   4.459  13.651
   64    H3     U   6           H3         U   6  -6.314   0.183  14.192
   65    H5     U   6           H5         U   6  -4.927   1.584  17.911
   66    H6     U   6           H6         U   6  -4.580   3.763  16.891
   67   1H5*    U   7          1H5*        U   7  -7.969   5.399  11.078
   68   2H5*    U   7          2H5*        U   7  -9.458   6.344  10.870
   69    H4*    U   7           H4*        U   7  -9.393   4.168   9.561
   70    H3*    U   7           H3*        U   7 -11.525   4.890  11.558
   71    H2*    U   7           H2*        U   7 -12.537   2.804  11.506
   72   2HO*    U   7          2HO*        U   7 -11.193   2.356   9.032
   73    H1*    U   7           H1*        U   7 -10.339   1.179  11.022
   74    H3     U   7           H3         U   7 -12.515   0.147  15.010
   75    H5     U   7           H5         U   7  -9.306   2.708  15.943
   76    H6     U   7           H6         U   7  -9.085   3.190  13.570
   77   1H5*    G   8          1H5*        G   8 -14.533   4.069   8.564
   78   2H5*    G   8          2H5*        G   8 -15.937   4.908   9.264
   79    H4*    G   8           H4*        G   8 -15.228   2.211   9.537
   80    H3*    G   8           H3*        G   8 -17.409   3.715  10.203
   81    H2*    G   8           H2*        G   8 -16.603   4.669  12.184
   82   2HO*    G   8          2HO*        G   8 -18.449   3.550  12.844
   83    H1*    G   8           H1*        G   8 -15.348   2.068  13.097
   84    H8     G   8           H8         G   8 -13.992   5.621  12.250
   85    H1     G   8           H1         G   8 -13.382   3.927  18.372
   86   1H2     G   8          1H2         G   8 -15.116   1.047  17.428
   87   2H2     G   8          2H2         G   8 -14.338   1.944  18.712
   88   1H5*    A   9          1H5*        A   9 -16.813  -0.314  10.402
   89   2H5*    A   9          2H5*        A   9 -16.996  -0.825   8.714
   90    H4*    A   9           H4*        A   9 -17.674  -2.922   9.303
   91    H3*    A   9           H3*        A   9 -19.783  -1.663  10.475
   92    H2*    A   9           H2*        A   9 -18.762  -1.042  12.508
   93   2HO*    A   9          2HO*        A   9 -20.536  -2.262  13.166
   94    H1*    A   9           H1*        A   9 -17.486  -3.762  12.760
   95    H8     A   9           H8         A   9 -16.196  -0.053  12.652
   96   1H6     A   9          1H6         A   9 -13.552  -1.446  18.058
   97   2H6     A   9          2H6         A   9 -13.801  -0.187  16.870
   98    H2     A   9           H2         A   9 -15.761  -5.078  16.588
   99   1H5*    A  10          1H5*        A  10 -18.866  -7.082   9.757
  100   2H5*    A  10          2H5*        A  10 -18.296  -5.733  10.748
  101    H4*    A  10           H4*        A  10 -16.803  -7.020   8.416
  102    H3*    A  10           H3*        A  10 -16.907  -7.898  11.039
  103    H2*    A  10           H2*        A  10 -16.012  -5.914  12.003
  104   2HO*    A  10          2HO*        A  10 -14.616  -7.661  12.573
  105    H1*    A  10           H1*        A  10 -14.040  -5.850   9.686
  106    H8     A  10           H8         A  10 -14.707  -4.333  12.860
  107   1H6     A  10          1H6         A  10 -13.212   1.225  10.749
  108   2H6     A  10          2H6         A  10 -13.536   0.273  12.179
  109    H2     A  10           H2         A  10 -13.751  -1.481   7.247
  110   1H5*    A  11          1H5*        A  11 -11.639 -10.222  10.368
  111   2H5*    A  11          2H5*        A  11 -12.687  -9.104  11.262
  112    H4*    A  11           H4*        A  11 -12.252  -8.450   8.380
  113    H3*    A  11           H3*        A  11  -9.970  -9.051   9.968
  114    H2*    A  11           H2*        A  11  -9.751  -7.150  11.208
  115   2HO*    A  11          2HO*        A  11  -8.451  -6.791   9.155
  116    H1*    A  11           H1*        A  11 -11.363  -5.289   9.554
  117    H8     A  11           H8         A  11 -12.415  -7.279  12.671
  118   1H6     A  11          1H6         A  11 -11.557  -2.067  15.889
  119   2H6     A  11          2H6         A  11 -12.058  -3.742  15.990
  120    H2     A  11           H2         A  11 -10.422  -1.283  11.627
  121   1H5*    A  12          2H5*        A  12  -6.193  -6.885   6.101
  122   2H5*    A  12          1H5*        A  12  -6.549  -7.080   7.830
  123    H4*    A  12           H4*        A  12  -8.235  -5.286   6.037
  124    H3*    A  12           H3*        A  12  -5.632  -4.678   7.502
  125    H2*    A  12           H2*        A  12  -6.469  -2.570   8.131
  126   2HO*    A  12          2HO*        A  12  -7.345  -1.835   6.223
  127    H1*    A  12           H1*        A  12  -9.074  -3.366   8.662
  128    H8     A  12           H8         A  12  -7.053  -5.994  10.292
  129   1H6     A  12          1H6         A  12  -5.963  -2.095  14.951
  130   2H6     A  12          2H6         A  12  -5.869  -3.762  14.428
  131    H2     A  12           H2         A  12  -7.670   0.262  11.531
  132   1H5*    U  13          2H5*        U  13  -2.148  -2.233   5.714
  133   2H5*    U  13          1H5*        U  13  -3.194  -3.129   6.833
  134    H4*    U  13           H4*        U  13  -4.322  -0.590   5.721
  135    H3*    U  13           H3*        U  13  -1.931  -0.709   7.607
  136    H2*    U  13           H2*        U  13  -2.844   1.057   8.870
  137   2HO*    U  13          2HO*        U  13  -4.540   2.350   8.106
  138    H1*    U  13           H1*        U  13  -5.493   0.237   8.766
  139    H3     U  13           H3         U  13  -3.414   0.042  12.997
  140    H5     U  13           H5         U  13  -3.272  -3.814  11.315
  141    H6     U  13           H6         U  13  -4.025  -2.857   9.218
  142   1H5*    C  14          1H5*        C  14  -1.057   3.199   5.346
  143   2H5*    C  14          2H5*        C  14   0.605   3.135   4.721
  144    H4*    C  14           H4*        C  14   0.298   5.129   6.140
  145    H3*    C  14           H3*        C  14   2.056   2.896   7.237
  146    H2*    C  14           H2*        C  14   2.521   4.212   9.138
  147   2HO*    C  14          2HO*        C  14   2.944   6.189   8.140
  148    H1*    C  14           H1*        C  14  -0.024   5.268   9.469
  149   1H4     C  14          1H4         C  14  -0.047  -0.685  12.382
  150   2H4     C  14          2H4         C  14   0.389   0.447  13.634
  151    H5     C  14           H5         C  14  -0.270  -0.072  10.057
  152    H6     C  14           H6         C  14  -0.187   1.777   8.454
  153   1H5*    C  15          2H5*        C  15   6.002   5.336   5.339
  154   2H5*    C  15          1H5*        C  15   6.882   3.813   5.095
  155    H4*    C  15           H4*        C  15   7.841   5.595   6.777
  156    H3*    C  15           H3*        C  15   7.530   2.615   7.323
  157    H2*    C  15           H2*        C  15   8.495   2.913   9.450
  158   2HO*    C  15          2HO*        C  15  10.010   4.349   9.760
  159    H1*    C  15           H1*        C  15   7.261   5.321  10.061
  160   1H4     C  15          1H4         C  15   3.141   0.320  11.582
  161   2H4     C  15          2H4         C  15   3.924   0.780  13.076
  162    H5     C  15           H5         C  15   3.691   1.294   9.447
  163    H6     C  15           H6         C  15   5.113   2.914   8.284
  164   1H5*    C  16          1H5*        C  16  12.100   2.916   7.680
  165   2H5*    C  16          2H5*        C  16  12.654   1.716   6.495
  166    H4*    C  16           H4*        C  16  13.796   1.316   8.615
  167    H3*    C  16           H3*        C  16  11.619  -0.681   7.883
  168    H2*    C  16           H2*        C  16  12.097  -1.909   9.836
  169   2HO*    C  16          2HO*        C  16  13.998  -1.656  11.006
  170    H1*    C  16           H1*        C  16  12.551   0.242  11.523
  171   1H4     C  16          1H4         C  16   6.001  -0.880  11.352
  172   2H4     C  16          2H4         C  16   6.580  -1.506  12.879
  173    H5     C  16           H5         C  16   7.462   0.029   9.657
  174    H6     C  16           H6         C  16   9.783   0.540   9.073
  175   1H5*    C  17          2H5*        C  17  13.348  -5.388   7.657
  176   2H5*    C  17          1H5*        C  17  12.088  -4.188   8.023
  177    H4*    C  17           H4*        C  17  14.322  -4.621  10.011
  178    H3*    C  17           H3*        C  17  11.956  -6.468   9.498
  179    H2*    C  17           H2*        C  17  11.680  -6.757  11.814
  180   2HO*    C  17          2HO*        C  17  13.265  -6.202  13.314
  181    H1*    C  17           H1*        C  17  12.199  -4.135  12.563
  182   1H4     C  17          1H4         C  17   5.819  -4.241  10.804
  183   2H4     C  17          2H4         C  17   5.830  -5.094  12.331
  184    H5     C  17           H5         C  17   7.829  -3.588   9.640
  185    H6     C  17           H6         C  17  10.278  -3.574   9.708
  186    H3T    C  17           H3T        C  17  14.597  -6.882  10.530
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.560  -9.954  10.844
    2   2H5*    G   1          2H5*        G   1   4.200 -10.199  12.573
    3    H4*    G   1           H4*        G   1   6.473 -10.646  12.577
    4    H3*    G   1           H3*        G   1   5.937  -7.926  13.274
    5    H2*    G   1           H2*        G   1   7.233  -6.761  11.825
    6   2HO*    G   1          2HO*        G   1   8.842  -6.870  13.367
    7    H1*    G   1           H1*        G   1   8.890  -8.866  10.664
    8    H8     G   1           H8         G   1   5.806  -8.640   8.728
    9    H1     G   1           H1         G   1   9.519  -3.610   7.451
   10   1H2     G   1          1H2         G   1  11.284  -4.568  10.307
   11   2H2     G   1          2H2         G   1  11.128  -3.439   8.979
   12    H5T    G   1           H5T        G   1   3.328  -8.249  11.806
   13   1H5*    G   2          1H5*        G   2   7.906  -5.943  17.107
   14   2H5*    G   2          2H5*        G   2   7.108  -5.888  15.511
   15    H4*    G   2           H4*        G   2  10.115  -5.551  16.021
   16    H3*    G   2           H3*        G   2   7.856  -3.519  15.792
   17    H2*    G   2           H2*        G   2   9.290  -2.065  14.621
   18   2HO*    G   2          2HO*        G   2  11.215  -2.003  15.555
   19    H1*    G   2           H1*        G   2  10.556  -3.985  13.083
   20    H8     G   2           H8         G   2   6.928  -4.860  13.009
   21    H1     G   2           H1         G   2   8.220   0.209   9.364
   22   1H2     G   2          1H2         G   2  11.301   0.218  10.996
   23   2H2     G   2          2H2         G   2  10.261   0.969   9.805
   24   1H5*    G   3          1H5*        G   3  11.214  -0.861  17.346
   25   2H5*    G   3          2H5*        G   3  10.436  -0.165  18.793
   26    H4*    G   3           H4*        G   3  11.514   1.550  17.328
   27    H3*    G   3           H3*        G   3   8.477   1.535  17.541
   28    H2*    G   3           H2*        G   3   8.366   3.447  16.170
   29   2HO*    G   3          2HO*        G   3   9.977   4.708  17.105
   30    H1*    G   3           H1*        G   3  10.381   2.722  14.401
   31    H8     G   3           H8         G   3   8.067  -0.184  15.220
   32    H1     G   3           H1         G   3   5.761   3.628  10.655
   33   1H2     G   3          1H2         G   3   8.376   5.762  11.540
   34   2H2     G   3          2H2         G   3   6.991   5.477  10.510
   35   1H5*    G   4          1H5*        G   4   5.860   4.241  20.149
   36   2H5*    G   4          2H5*        G   4   6.166   3.039  18.864
   37    H4*    G   4           H4*        G   4   6.429   6.031  18.361
   38    H3*    G   4           H3*        G   4   3.864   4.400  18.566
   39    H2*    G   4           H2*        G   4   2.994   5.501  16.682
   40   2HO*    G   4          2HO*        G   4   3.378   7.626  17.010
   41    H1*    G   4           H1*        G   4   5.359   5.661  15.226
   42    H8     G   4           H8         G   4   4.869   2.207  16.734
   43    H1     G   4           H1         G   4   1.540   3.102  11.365
   44   1H2     G   4          1H2         G   4   2.471   6.447  11.711
   45   2H2     G   4          2H2         G   4   1.604   5.249  10.777
   46   1H5*    A   5          2H5*        A   5  -0.276   6.670  19.283
   47   2H5*    A   5          1H5*        A   5   0.722   5.316  18.715
   48    H4*    A   5           H4*        A   5   0.446   7.760  16.958
   49    H3*    A   5           H3*        A   5  -1.660   5.614  17.458
   50    H2*    A   5           H2*        A   5  -2.162   5.552  15.158
   51   2HO*    A   5          2HO*        A   5  -0.570   7.910  14.849
   52    H1*    A   5           H1*        A   5   0.435   5.750  14.226
   53    H8     A   5           H8         A   5   0.819   3.346  16.971
   54   1H6     A   5          1H6         A   5  -1.824  -1.007  13.482
   55   2H6     A   5          2H6         A   5  -0.916  -0.699  14.947
   56    H2     A   5           H2         A   5  -2.500   2.972  11.502
   57   1H5*    U   6          2H5*        U   6  -6.555   7.332  16.782
   58   2H5*    U   6          1H5*        U   6  -5.453   6.019  17.248
   59    H4*    U   6           H4*        U   6  -5.229   7.291  14.505
   60    H3*    U   6           H3*        U   6  -7.256   5.225  15.458
   61    H2*    U   6           H2*        U   6  -6.999   4.042  13.432
   62   2HO*    U   6          2HO*        U   6  -5.487   6.254  12.431
   63    H1*    U   6           H1*        U   6  -4.259   4.315  13.222
   64    H3     U   6           H3         U   6  -6.602   0.217  14.510
   65    H5     U   6           H5         U   6  -3.801   1.447  17.406
   66    H6     U   6           H6         U   6  -3.656   3.587  16.264
   67   1H5*    U   7          1H5*        U   7  -8.142   5.470  11.314
   68   2H5*    U   7          2H5*        U   7  -9.693   6.331  11.274
   69    H4*    U   7           H4*        U   7  -9.490   4.240   9.779
   70    H3*    U   7           H3*        U   7 -11.683   4.901  11.702
   71    H2*    U   7           H2*        U   7 -12.638   2.805  11.741
   72   2HO*    U   7          2HO*        U   7 -11.383   2.278   9.237
   73    H1*    U   7           H1*        U   7 -10.468   1.164  11.147
   74    H3     U   7           H3         U   7 -12.574   0.064  15.166
   75    H5     U   7           H5         U   7  -9.299   2.547  16.078
   76    H6     U   7           H6         U   7  -9.122   3.079  13.713
   77   1H5*    G   8          1H5*        G   8 -14.446   4.069   8.531
   78   2H5*    G   8          2H5*        G   8 -15.953   4.838   9.082
   79    H4*    G   8           H4*        G   8 -15.121   2.205   9.515
   80    H3*    G   8           H3*        G   8 -17.421   3.600   9.997
   81    H2*    G   8           H2*        G   8 -16.777   4.670  11.982
   82   2HO*    G   8          2HO*        G   8 -17.747   3.544  13.699
   83    H1*    G   8           H1*        G   8 -15.443   2.177  13.068
   84    H8     G   8           H8         G   8 -14.152   5.729  12.149
   85    H1     G   8           H1         G   8 -14.068   4.425  18.392
   86   1H2     G   8          1H2         G   8 -15.615   1.432  17.475
   87   2H2     G   8          2H2         G   8 -14.987   2.432  18.766
   88   1H5*    A   9          1H5*        A   9 -16.765  -0.396  10.187
   89   2H5*    A   9          2H5*        A   9 -17.105  -0.904   8.523
   90    H4*    A   9           H4*        A   9 -17.540  -3.018   9.202
   91    H3*    A   9           H3*        A   9 -19.805  -1.858  10.168
   92    H2*    A   9           H2*        A   9 -18.983  -1.127  12.258
   93   2HO*    A   9          2HO*        A   9 -19.896  -3.814  12.639
   94    H1*    A   9           H1*        A   9 -17.577  -3.756  12.698
   95    H8     A   9           H8         A   9 -16.421  -0.012  12.504
   96   1H6     A   9          1H6         A   9 -14.244  -0.986  18.194
   97   2H6     A   9          2H6         A   9 -14.414   0.187  16.908
   98    H2     A   9           H2         A   9 -16.221  -4.771  16.775
   99   1H5*    A  10          2H5*        A  10 -18.573  -7.243   9.707
  100   2H5*    A  10          1H5*        A  10 -18.136  -5.832  10.680
  101    H4*    A  10           H4*        A  10 -16.408  -7.157   8.536
  102    H3*    A  10           H3*        A  10 -16.711  -7.997  11.147
  103    H2*    A  10           H2*        A  10 -16.162  -5.856  12.089
  104   2HO*    A  10          2HO*        A  10 -14.823  -7.405  13.092
  105    H1*    A  10           H1*        A  10 -13.835  -5.872  10.119
  106    H8     A  10           H8         A  10 -14.861  -4.232  13.096
  107   1H6     A  10          1H6         A  10 -13.354   1.289  10.910
  108   2H6     A  10          2H6         A  10 -13.787   0.377  12.337
  109    H2     A  10           H2         A  10 -13.454  -1.562   7.478
  110   1H5*    A  11          1H5*        A  11 -11.634 -10.388   9.951
  111   2H5*    A  11          2H5*        A  11 -12.724  -9.383  10.927
  112    H4*    A  11           H4*        A  11 -12.026  -8.281   8.242
  113    H3*    A  11           H3*        A  11  -9.904  -9.227   9.929
  114    H2*    A  11           H2*        A  11  -9.708  -7.470  11.375
  115   2HO*    A  11          2HO*        A  11  -8.149  -7.001   9.613
  116    H1*    A  11           H1*        A  11 -11.110  -5.429   9.691
  117    H8     A  11           H8         A  11 -12.166  -7.467  12.806
  118   1H6     A  11          1H6         A  11 -11.763  -2.162  15.958
  119   2H6     A  11          2H6         A  11 -12.146  -3.868  16.072
  120    H2     A  11           H2         A  11 -10.595  -1.352  11.710
  121   1H5*    A  12          2H5*        A  12  -6.093  -6.678   6.163
  122   2H5*    A  12          1H5*        A  12  -6.413  -6.917   7.893
  123    H4*    A  12           H4*        A  12  -8.371  -5.392   6.137
  124    H3*    A  12           H3*        A  12  -5.803  -4.400   7.443
  125    H2*    A  12           H2*        A  12  -6.891  -2.387   8.036
  126   2HO*    A  12          2HO*        A  12  -8.913  -1.807   7.174
  127    H1*    A  12           H1*        A  12  -9.287  -3.509   8.817
  128    H8     A  12           H8         A  12  -6.910  -5.872  10.304
  129   1H6     A  12          1H6         A  12  -5.513  -1.754  14.668
  130   2H6     A  12          2H6         A  12  -5.373  -3.427  14.175
  131    H2     A  12           H2         A  12  -7.801   0.371  11.436
  132   1H5*    U  13          1H5*        U  13  -6.696  -1.429   4.475
  133   2H5*    U  13          2H5*        U  13  -5.266  -0.668   3.748
  134    H4*    U  13           H4*        U  13  -6.751   0.925   5.045
  135    H3*    U  13           H3*        U  13  -3.853   0.467   5.855
  136    H2*    U  13           H2*        U  13  -4.077   2.086   7.550
  137   2HO*    U  13          2HO*        U  13  -5.137   3.704   6.385
  138    H1*    U  13           H1*        U  13  -6.645   1.405   8.352
  139    H3     U  13           H3         U  13  -3.815   0.489  11.841
  140    H5     U  13           H5         U  13  -3.408  -2.795   9.236
  141    H6     U  13           H6         U  13  -4.753  -1.596   7.612
  142   1H5*    C  14          1H5*        C  14  -3.496   4.709   3.567
  143   2H5*    C  14          2H5*        C  14  -1.852   4.639   2.899
  144    H4*    C  14           H4*        C  14  -2.390   6.577   4.536
  145    H3*    C  14           H3*        C  14  -0.035   4.674   4.862
  146    H2*    C  14           H2*        C  14   0.671   5.886   6.754
  147   2HO*    C  14          2HO*        C  14  -0.161   7.941   7.260
  148    H1*    C  14           H1*        C  14  -1.843   6.342   7.835
  149   1H4     C  14          1H4         C  14  -0.023   0.272   9.788
  150   2H4     C  14          2H4         C  14   0.593   1.356  11.011
  151    H5     C  14           H5         C  14  -1.040   1.036   7.732
  152    H6     C  14           H6         C  14  -1.724   3.003   6.444
  153   1H5*    C  15          1H5*        C  15   2.726   8.438   3.129
  154   2H5*    C  15          2H5*        C  15   3.926   7.347   2.407
  155    H4*    C  15           H4*        C  15   4.708   9.050   4.243
  156    H3*    C  15           H3*        C  15   5.361   6.075   4.200
  157    H2*    C  15           H2*        C  15   6.667   6.342   6.142
  158   2HO*    C  15          2HO*        C  15   7.802   8.212   5.573
  159    H1*    C  15           H1*        C  15   4.988   8.120   7.447
  160   1H4     C  15          1H4         C  15   2.783   1.944   8.570
  161   2H4     C  15          2H4         C  15   3.762   2.370   9.955
  162    H5     C  15           H5         C  15   2.547   3.366   6.634
  163    H6     C  15           H6         C  15   3.202   5.493   5.612
  164   1H5*    C  16          2H5*        C  16   9.657   7.686   3.984
  165   2H5*    C  16          1H5*        C  16  10.372   6.653   2.731
  166    H4*    C  16           H4*        C  16  11.627   6.635   4.926
  167    H3*    C  16           H3*        C  16  10.394   4.084   3.813
  168    H2*    C  16           H2*        C  16  11.318   2.878   5.612
  169   2HO*    C  16          2HO*        C  16  12.848   5.196   6.278
  170    H1*    C  16           H1*        C  16  10.863   4.756   7.584
  171   1H4     C  16          1H4         C  16   5.305   1.191   6.794
  172   2H4     C  16          2H4         C  16   6.123   0.528   8.191
  173    H5     C  16           H5         C  16   6.243   2.938   5.420
  174    H6     C  16           H6         C  16   8.162   4.423   5.092
  175   1H5*    C  17          2H5*        C  17  14.780   3.431   4.439
  176   2H5*    C  17          1H5*        C  17  15.347   2.018   3.527
  177    H4*    C  17           H4*        C  17  15.491   1.950   6.132
  178    H3*    C  17           H3*        C  17  14.272  -0.232   4.396
  179    H2*    C  17           H2*        C  17  13.876  -1.526   6.319
  180   2HO*    C  17          2HO*        C  17  15.290  -1.508   7.880
  181    H1*    C  17           H1*        C  17  13.110   0.546   7.994
  182   1H4     C  17          1H4         C  17   7.721  -1.307   4.598
  183   2H4     C  17          2H4         C  17   7.707  -2.256   6.068
  184    H5     C  17           H5         C  17   9.558   0.131   3.972
  185    H6     C  17           H6         C  17  11.751   0.994   4.638
  186    H3T    C  17           H3T        C  17  16.494  -0.001   4.225
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -2.687  -7.720  20.305
    2   2H5*    G   1          2H5*        G   1  -3.266  -7.300  18.670
    3    H4*    G   1           H4*        G   1  -2.111 -10.045  19.141
    4    H3*    G   1           H3*        G   1  -0.578  -7.478  19.453
    5    H2*    G   1           H2*        G   1   1.005  -7.958  17.869
    6   2HO*    G   1          2HO*        G   1   1.799  -9.997  17.537
    7    H1*    G   1           H1*        G   1  -0.402  -9.852  16.284
    8    H8     G   1           H8         G   1  -2.046  -6.446  16.490
    9    H1     G   1           H1         G   1   2.600  -6.659  12.118
   10   1H2     G   1          1H2         G   1   3.374  -9.755  13.535
   11   2H2     G   1          2H2         G   1   3.753  -8.551  12.324
   12    H5T    G   1           H5T        G   1  -4.886  -8.230  20.021
   13   1H5*    G   2          1H5*        G   2   2.454  -6.429  22.012
   14   2H5*    G   2          2H5*        G   2   1.925  -6.564  20.312
   15    H4*    G   2           H4*        G   2   4.552  -7.683  21.429
   16    H3*    G   2           H3*        G   2   3.913  -4.988  20.141
   17    H2*    G   2           H2*        G   2   6.100  -5.020  19.205
   18   2HO*    G   2          2HO*        G   2   7.303  -5.831  20.928
   19    H1*    G   2           H1*        G   2   5.981  -7.635  18.370
   20    H8     G   2           H8         G   2   2.566  -6.108  17.862
   21    H1     G   2           H1         G   2   6.714  -4.209  13.418
   22   1H2     G   2          1H2         G   2   9.120  -5.762  15.393
   23   2H2     G   2          2H2         G   2   8.766  -4.871  13.927
   24   1H5*    G   3          1H5*        G   3   7.431  -3.010  22.463
   25   2H5*    G   3          2H5*        G   3   6.514  -1.574  22.987
   26    H4*    G   3           H4*        G   3   8.653  -1.239  21.560
   27    H3*    G   3           H3*        G   3   5.947  -0.080  20.780
   28    H2*    G   3           H2*        G   3   6.985   1.016  18.965
   29   2HO*    G   3          2HO*        G   3   8.829   1.820  19.975
   30    H1*    G   3           H1*        G   3   8.657  -1.076  18.237
   31    H8     G   3           H8         G   3   5.393  -2.720  18.845
   32    H1     G   3           H1         G   3   5.272   0.751  13.493
   33   1H2     G   3          1H2         G   3   8.238   2.141  14.695
   34   2H2     G   3          2H2         G   3   7.041   2.099  13.419
   35   1H5*    G   4          1H5*        G   4   4.146   3.851  21.804
   36   2H5*    G   4          2H5*        G   4   4.325   2.424  20.748
   37    H4*    G   4           H4*        G   4   5.605   5.109  20.085
   38    H3*    G   4           H3*        G   4   2.698   4.275  19.721
   39    H2*    G   4           H2*        G   4   2.664   5.263  17.587
   40   2HO*    G   4          2HO*        G   4   4.267   6.735  16.905
   41    H1*    G   4           H1*        G   4   5.237   4.546  16.814
   42    H8     G   4           H8         G   4   3.330   1.686  18.458
   43    H1     G   4           H1         G   4   1.942   2.436  12.280
   44   1H2     G   4          1H2         G   4   3.772   5.395  12.540
   45   2H2     G   4          2H2         G   4   2.836   4.326  11.518
   46   1H5*    A   5          1H5*        A   5  -0.715   7.326  19.181
   47   2H5*    A   5          2H5*        A   5   0.086   5.771  18.873
   48    H4*    A   5           H4*        A   5   0.591   8.081  16.989
   49    H3*    A   5           H3*        A   5  -1.920   6.363  17.165
   50    H2*    A   5           H2*        A   5  -2.008   6.230  14.814
   51   2HO*    A   5          2HO*        A   5  -0.976   7.635  13.478
   52    H1*    A   5           H1*        A   5   0.700   5.871  14.397
   53    H8     A   5           H8         A   5   0.003   3.733  17.330
   54   1H6     A   5          1H6         A   5  -2.593  -0.401  13.561
   55   2H6     A   5          2H6         A   5  -2.004  -0.110  15.183
   56    H2     A   5           H2         A   5  -1.953   3.402  11.236
   57   1H5*    U   6          1H5*        U   6  -6.317   7.877  16.149
   58   2H5*    U   6          2H5*        U   6  -5.132   6.669  16.690
   59    H4*    U   6           H4*        U   6  -5.073   7.558  13.807
   60    H3*    U   6           H3*        U   6  -7.144   5.727  15.091
   61    H2*    U   6           H2*        U   6  -7.023   4.295  13.223
   62   2HO*    U   6          2HO*        U   6  -5.919   4.940  11.298
   63    H1*    U   6           H1*        U   6  -4.286   4.439  12.846
   64    H3     U   6           H3         U   6  -6.551   0.500  14.495
   65    H5     U   6           H5         U   6  -3.919   2.059  17.391
   66    H6     U   6           H6         U   6  -3.732   4.076  16.045
   67   1H5*    U   7          1H5*        U   7  -8.156   5.536  11.001
   68   2H5*    U   7          2H5*        U   7  -9.732   6.342  10.878
   69    H4*    U   7           H4*        U   7  -9.415   4.050   9.670
   70    H3*    U   7           H3*        U   7 -11.697   5.096  11.233
   71    H2*    U   7           H2*        U   7 -12.558   3.127  11.972
   72   2HO*    U   7          2HO*        U   7 -13.058   2.745   9.674
   73    H1*    U   7           H1*        U   7 -10.523   1.253  11.213
   74    H3     U   7           H3         U   7 -12.553   0.146  15.267
   75    H5     U   7           H5         U   7  -9.167   2.500  16.121
   76    H6     U   7           H6         U   7  -9.052   3.082  13.761
   77   1H5*    G   8          1H5*        G   8 -16.004   4.874   9.998
   78   2H5*    G   8          2H5*        G   8 -14.543   5.020  11.008
   79    H4*    G   8           H4*        G   8 -15.338   2.273  10.120
   80    H3*    G   8           H3*        G   8 -17.460   3.738  11.028
   81    H2*    G   8           H2*        G   8 -16.532   4.502  13.047
   82   2HO*    G   8          2HO*        G   8 -17.430   3.255  14.701
   83    H1*    G   8           H1*        G   8 -15.294   1.809  13.672
   84    H8     G   8           H8         G   8 -13.835   5.369  13.037
   85    H1     G   8           H1         G   8 -13.101   3.220  18.999
   86   1H2     G   8          1H2         G   8 -14.983   0.484  17.917
   87   2H2     G   8          2H2         G   8 -14.126   1.256  19.232
   88   1H5*    A   9          1H5*        A   9 -16.794  -0.029  10.329
   89   2H5*    A   9          2H5*        A   9 -17.164  -0.134   8.598
   90    H4*    A   9           H4*        A   9 -17.432  -2.370   8.778
   91    H3*    A   9           H3*        A   9 -19.803  -1.566   9.847
   92    H2*    A   9           H2*        A   9 -19.134  -1.306  12.092
   93   2HO*    A   9          2HO*        A   9 -20.832  -2.809  12.169
   94    H1*    A   9           H1*        A   9 -17.599  -3.894  12.001
   95    H8     A   9           H8         A   9 -16.411  -0.241  12.644
   96   1H6     A   9          1H6         A   9 -15.014  -2.279  18.302
   97   2H6     A   9          2H6         A   9 -14.979  -0.898  17.231
   98    H2     A   9           H2         A   9 -16.931  -5.650  16.016
   99   1H5*    A  10          2H5*        A  10 -18.662  -6.852   8.572
  100   2H5*    A  10          1H5*        A  10 -18.310  -5.575   9.738
  101    H4*    A  10           H4*        A  10 -16.371  -6.699   7.668
  102    H3*    A  10           H3*        A  10 -17.039  -7.771  10.143
  103    H2*    A  10           H2*        A  10 -16.273  -5.939  11.428
  104   2HO*    A  10          2HO*        A  10 -15.045  -7.727  12.121
  105    H1*    A  10           H1*        A  10 -13.920  -5.726   9.514
  106    H8     A  10           H8         A  10 -15.090  -4.530  12.659
  107   1H6     A  10          1H6         A  10 -13.220   1.178  11.484
  108   2H6     A  10          2H6         A  10 -13.785   0.072  12.716
  109    H2     A  10           H2         A  10 -13.189  -1.095   7.635
  110   1H5*    A  11          2H5*        A  11 -11.970  -9.966  10.761
  111   2H5*    A  11          1H5*        A  11 -13.263  -8.818  11.154
  112    H4*    A  11           H4*        A  11 -12.176  -8.313   8.482
  113    H3*    A  11           H3*        A  11 -10.192  -9.104  10.341
  114    H2*    A  11           H2*        A  11 -10.019  -7.258  11.676
  115   2HO*    A  11          2HO*        A  11  -9.024  -6.327   9.191
  116    H1*    A  11           H1*        A  11 -11.160  -5.211   9.849
  117    H8     A  11           H8         A  11 -12.874  -7.170  12.688
  118   1H6     A  11          1H6         A  11 -12.134  -2.102  16.166
  119   2H6     A  11          2H6         A  11 -12.782  -3.729  16.132
  120    H2     A  11           H2         A  11 -10.249  -1.345  12.176
  121   1H5*    A  12          1H5*        A  12  -5.941  -6.995   6.926
  122   2H5*    A  12          2H5*        A  12  -6.549  -7.106   8.592
  123    H4*    A  12           H4*        A  12  -8.146  -5.588   6.511
  124    H3*    A  12           H3*        A  12  -5.640  -4.660   7.975
  125    H2*    A  12           H2*        A  12  -6.615  -2.529   8.279
  126   2HO*    A  12          2HO*        A  12  -8.288  -1.780   7.084
  127    H1*    A  12           H1*        A  12  -9.150  -3.406   8.925
  128    H8     A  12           H8         A  12  -7.292  -5.789  10.912
  129   1H6     A  12          1H6         A  12  -5.565  -1.362  14.834
  130   2H6     A  12          2H6         A  12  -5.682  -3.089  14.577
  131    H2     A  12           H2         A  12  -7.171   0.614  11.120
  132   1H5*    U  13          2H5*        U  13  -5.207  -2.225   4.128
  133   2H5*    U  13          1H5*        U  13  -3.474  -1.954   3.855
  134    H4*    U  13           H4*        U  13  -4.874   0.126   4.415
  135    H3*    U  13           H3*        U  13  -2.442  -0.696   6.057
  136    H2*    U  13           H2*        U  13  -2.686   1.276   7.331
  137   2HO*    U  13          2HO*        U  13  -4.068   2.966   6.692
  138    H1*    U  13           H1*        U  13  -5.450   1.208   7.524
  139    H3     U  13           H3         U  13  -3.534   0.545  11.669
  140    H5     U  13           H5         U  13  -3.622  -3.256   9.857
  141    H6     U  13           H6         U  13  -4.315  -2.184   7.795
  142   1H5*    C  14          1H5*        C  14   0.163   2.515   3.144
  143   2H5*    C  14          2H5*        C  14   1.665   1.595   3.369
  144    H4*    C  14           H4*        C  14   1.568   4.104   4.155
  145    H3*    C  14           H3*        C  14   2.618   1.786   5.840
  146    H2*    C  14           H2*        C  14   3.255   3.364   7.487
  147   2HO*    C  14          2HO*        C  14   4.150   4.986   6.225
  148    H1*    C  14           H1*        C  14   0.957   4.896   7.341
  149   1H4     C  14          1H4         C  14  -0.399  -0.367  11.139
  150   2H4     C  14          2H4         C  14   0.233   0.841  12.223
  151    H5     C  14           H5         C  14  -0.445  -0.099   8.736
  152    H6     C  14           H6         C  14   0.076   1.413   6.879
  153   1H5*    C  15          1H5*        C  15   7.044   3.346   4.611
  154   2H5*    C  15          2H5*        C  15   7.912   1.813   4.829
  155    H4*    C  15           H4*        C  15   8.494   3.849   6.387
  156    H3*    C  15           H3*        C  15   7.960   1.002   7.336
  157    H2*    C  15           H2*        C  15   8.445   1.693   9.545
  158   2HO*    C  15          2HO*        C  15   9.354   4.193   8.498
  159    H1*    C  15           H1*        C  15   7.146   4.136   9.428
  160   1H4     C  15          1H4         C  15   2.661  -0.596  10.777
  161   2H4     C  15          2H4         C  15   3.217  -0.012  12.331
  162    H5     C  15           H5         C  15   3.593   0.149   8.675
  163    H6     C  15           H6         C  15   5.276   1.583   7.618
  164   1H5*    C  16          1H5*        C  16  12.381  -1.119   6.759
  165   2H5*    C  16          2H5*        C  16  11.065  -1.701   5.722
  166    H4*    C  16           H4*        C  16  12.367  -3.421   7.245
  167    H3*    C  16           H3*        C  16   9.344  -3.199   6.940
  168    H2*    C  16           H2*        C  16   9.061  -5.013   8.415
  169   2HO*    C  16          2HO*        C  16  10.717  -6.428   8.947
  170    H1*    C  16           H1*        C  16  11.071  -4.351  10.206
  171   1H4     C  16          1H4         C  16   5.542  -0.969  11.760
  172   2H4     C  16          2H4         C  16   5.672  -2.271  12.921
  173    H5     C  16           H5         C  16   7.077  -0.680   9.925
  174    H6     C  16           H6         C  16   9.055  -1.577   8.801
  175   1H5*    C  17          1H5*        C  17   7.367  -7.551   4.907
  176   2H5*    C  17          2H5*        C  17   7.192  -6.026   5.801
  177    H4*    C  17           H4*        C  17   8.797  -8.310   6.984
  178    H3*    C  17           H3*        C  17   5.768  -7.994   6.905
  179    H2*    C  17           H2*        C  17   5.636  -8.733   9.133
  180   2HO*    C  17          2HO*        C  17   8.385  -9.499   8.969
  181    H1*    C  17           H1*        C  17   7.881  -7.410  10.083
  182   1H4     C  17          1H4         C  17   3.020  -2.930  10.256
  183   2H4     C  17          2H4         C  17   2.586  -4.037  11.538
  184    H5     C  17           H5         C  17   4.815  -3.350   8.698
  185    H6     C  17           H6         C  17   6.596  -4.904   8.057
  186    H3T    C  17           H3T        C  17   6.624  -9.700   5.708
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -3.624  -6.408  18.222
    2   2H5*    G   1          2H5*        G   1  -5.249  -6.592  17.515
    3    H4*    G   1           H4*        G   1  -4.642  -9.171  17.700
    4    H3*    G   1           H3*        G   1  -2.025  -7.792  18.197
    5    H2*    G   1           H2*        G   1  -0.860  -8.947  16.551
    6   2HO*    G   1          2HO*        G   1  -2.994 -10.847  16.487
    7    H1*    G   1           H1*        G   1  -2.823  -9.238  14.636
    8    H8     G   1           H8         G   1  -3.312  -5.726  15.406
    9    H1     G   1           H1         G   1   2.367  -6.514  12.607
   10   1H2     G   1          1H2         G   1   1.930  -9.895  13.353
   11   2H2     G   1          2H2         G   1   2.950  -8.660  12.646
   12    H5T    G   1           H5T        G   1  -4.338  -7.752  19.953
   13   1H5*    G   2          1H5*        G   2  -0.375  -7.913  21.800
   14   2H5*    G   2          2H5*        G   2  -0.493  -7.824  20.025
   15    H4*    G   2           H4*        G   2   1.565  -9.514  21.544
   16    H3*    G   2           H3*        G   2   1.676  -6.612  20.609
   17    H2*    G   2           H2*        G   2   3.955  -6.901  20.061
   18   2HO*    G   2          2HO*        G   2   3.853  -9.464  21.324
   19    H1*    G   2           H1*        G   2   3.686  -9.379  18.883
   20    H8     G   2           H8         G   2   0.698  -7.400  17.795
   21    H1     G   2           H1         G   2   5.995  -5.423  14.870
   22   1H2     G   2          1H2         G   2   7.675  -7.476  17.118
   23   2H2     G   2          2H2         G   2   7.785  -6.372  15.763
   24   1H5*    G   3          1H5*        G   3   4.942  -5.446  23.407
   25   2H5*    G   3          2H5*        G   3   4.025  -4.248  24.359
   26    H4*    G   3           H4*        G   3   6.067  -3.269  23.358
   27    H3*    G   3           H3*        G   3   3.441  -2.391  22.073
   28    H2*    G   3           H2*        G   3   4.699  -0.814  20.818
   29   2HO*    G   3          2HO*        G   3   6.847  -0.343  21.275
   30    H1*    G   3           H1*        G   3   6.745  -2.560  20.182
   31    H8     G   3           H8         G   3   3.615  -4.561  19.876
   32    H1     G   3           H1         G   3   4.194  -0.390  15.083
   33   1H2     G   3          1H2         G   3   6.742   1.007  17.013
   34   2H2     G   3          2H2         G   3   5.815   1.065  15.529
   35   1H5*    G   4          1H5*        G   4   3.454   2.168  23.926
   36   2H5*    G   4          2H5*        G   4   1.755   2.209  23.391
   37    H4*    G   4           H4*        G   4   4.030   3.490  22.251
   38    H3*    G   4           H3*        G   4   1.156   3.046  21.348
   39    H2*    G   4           H2*        G   4   1.672   3.934  19.233
   40   2HO*    G   4          2HO*        G   4   2.813   5.758  19.633
   41    H1*    G   4           H1*        G   4   4.207   2.816  18.988
   42    H8     G   4           H8         G   4   1.725   0.256  20.270
   43    H1     G   4           H1         G   4   1.383   1.139  13.959
   44   1H2     G   4          1H2         G   4   3.473   3.871  14.543
   45   2H2     G   4          2H2         G   4   2.590   2.914  13.375
   46   1H5*    A   5          1H5*        A   5  -1.716   6.452  20.221
   47   2H5*    A   5          2H5*        A   5  -1.041   4.821  20.016
   48    H4*    A   5           H4*        A   5   0.023   7.076  18.306
   49    H3*    A   5           H3*        A   5  -2.647   5.638  17.997
   50    H2*    A   5           H2*        A   5  -2.331   5.538  15.665
   51   2HO*    A   5          2HO*        A   5  -0.087   7.288  15.979
   52    H1*    A   5           H1*        A   5   0.355   4.888  15.715
   53    H8     A   5           H8         A   5  -1.055   2.800  18.417
   54   1H6     A   5          1H6         A   5  -3.435  -0.958  14.142
   55   2H6     A   5          2H6         A   5  -3.092  -0.762  15.847
   56    H2     A   5           H2         A   5  -2.014   2.781  12.080
   57   1H5*    U   6          1H5*        U   6  -6.652   7.973  16.244
   58   2H5*    U   6          2H5*        U   6  -5.852   6.573  16.990
   59    H4*    U   6           H4*        U   6  -5.082   7.496  14.203
   60    H3*    U   6           H3*        U   6  -7.452   5.769  15.038
   61    H2*    U   6           H2*        U   6  -7.053   4.358  13.193
   62   2HO*    U   6          2HO*        U   6  -5.641   4.957  11.499
   63    H1*    U   6           H1*        U   6  -4.290   4.354  13.336
   64    H3     U   6           H3         U   6  -6.929   0.475  14.379
   65    H5     U   6           H5         U   6  -5.068   1.947  17.856
   66    H6     U   6           H6         U   6  -4.511   3.970  16.625
   67   1H5*    U   7          1H5*        U   7  -7.941   5.383  10.789
   68   2H5*    U   7          2H5*        U   7  -9.467   6.251  10.529
   69    H4*    U   7           H4*        U   7  -9.256   3.869   9.525
   70    H3*    U   7           H3*        U   7 -11.519   5.049  11.061
   71    H2*    U   7           H2*        U   7 -12.475   3.090  11.735
   72   2HO*    U   7          2HO*        U   7 -12.949   2.638   9.506
   73    H1*    U   7           H1*        U   7 -10.404   1.207  11.121
   74    H3     U   7           H3         U   7 -12.508   0.040  15.073
   75    H5     U   7           H5         U   7  -9.405   2.703  16.078
   76    H6     U   7           H6         U   7  -9.182   3.239  13.715
   77   1H5*    G   8          1H5*        G   8 -15.820   4.925   9.829
   78   2H5*    G   8          2H5*        G   8 -14.353   5.041  10.832
   79    H4*    G   8           H4*        G   8 -15.187   2.304   9.967
   80    H3*    G   8           H3*        G   8 -17.309   3.805  10.819
   81    H2*    G   8           H2*        G   8 -16.399   4.585  12.843
   82   2HO*    G   8          2HO*        G   8 -17.323   3.342  14.508
   83    H1*    G   8           H1*        G   8 -15.224   1.877  13.515
   84    H8     G   8           H8         G   8 -13.592   5.351  12.880
   85    H1     G   8           H1         G   8 -13.330   3.365  18.938
   86   1H2     G   8          1H2         G   8 -15.282   0.692  17.824
   87   2H2     G   8          2H2         G   8 -14.467   1.464  19.165
   88   1H5*    A   9          1H5*        A   9 -16.744  -0.158  10.497
   89   2H5*    A   9          2H5*        A   9 -16.983  -0.435   8.762
   90    H4*    A   9           H4*        A   9 -17.585  -2.597   9.100
   91    H3*    A   9           H3*        A   9 -19.775  -1.501  10.289
   92    H2*    A   9           H2*        A   9 -18.880  -1.122  12.439
   93   2HO*    A   9          2HO*        A   9 -19.793  -2.673  13.768
   94    H1*    A   9           H1*        A   9 -17.589  -3.845  12.443
   95    H8     A   9           H8         A   9 -16.250  -0.178  12.788
   96   1H6     A   9          1H6         A   9 -14.090  -2.093  18.242
   97   2H6     A   9          2H6         A   9 -14.210  -0.733  17.148
   98    H2     A   9           H2         A   9 -16.256  -5.525  16.295
   99   1H5*    A  10          1H5*        A  10 -18.843  -6.843   9.066
  100   2H5*    A  10          2H5*        A  10 -18.321  -5.624  10.236
  101    H4*    A  10           H4*        A  10 -16.672  -6.760   7.934
  102    H3*    A  10           H3*        A  10 -17.025  -7.805  10.473
  103    H2*    A  10           H2*        A  10 -16.127  -5.955  11.648
  104   2HO*    A  10          2HO*        A  10 -14.827  -7.788  12.160
  105    H1*    A  10           H1*        A  10 -13.986  -5.753   9.498
  106    H8     A  10           H8         A  10 -14.896  -4.493  12.716
  107   1H6     A  10          1H6         A  10 -13.202   1.200  11.242
  108   2H6     A  10          2H6         A  10 -13.659   0.127  12.544
  109    H2     A  10           H2         A  10 -13.433  -1.180   7.472
  110   1H5*    A  11          1H5*        A  11 -11.875 -10.133  10.423
  111   2H5*    A  11          2H5*        A  11 -13.066  -8.996  11.084
  112    H4*    A  11           H4*        A  11 -12.192  -8.334   8.332
  113    H3*    A  11           H3*        A  11 -10.135  -9.103  10.156
  114    H2*    A  11           H2*        A  11  -9.920  -7.232  11.433
  115   2HO*    A  11          2HO*        A  11  -9.178  -6.206   8.888
  116    H1*    A  11           H1*        A  11 -11.258  -5.249   9.676
  117    H8     A  11           H8         A  11 -12.729  -7.243  12.625
  118   1H6     A  11          1H6         A  11 -11.838  -2.167  16.058
  119   2H6     A  11          2H6         A  11 -12.454  -3.807  16.068
  120    H2     A  11           H2         A  11 -10.258  -1.371  11.947
  121   1H5*    A  12          2H5*        A  12  -5.907  -6.942   6.707
  122   2H5*    A  12          1H5*        A  12  -6.486  -7.044   8.383
  123    H4*    A  12           H4*        A  12  -8.045  -5.476   6.301
  124    H3*    A  12           H3*        A  12  -5.584  -4.611   7.876
  125    H2*    A  12           H2*        A  12  -6.550  -2.480   8.196
  126   2HO*    A  12          2HO*        A  12  -7.334  -2.074   6.128
  127    H1*    A  12           H1*        A  12  -9.128  -3.350   8.697
  128    H8     A  12           H8         A  12  -7.321  -5.758  10.731
  129   1H6     A  12          1H6         A  12  -6.049  -1.369  14.871
  130   2H6     A  12          2H6         A  12  -6.098  -3.093  14.575
  131    H2     A  12           H2         A  12  -7.414   0.639  11.079
  132   1H5*    U  13          2H5*        U  13  -4.483  -1.990   4.171
  133   2H5*    U  13          1H5*        U  13  -2.717  -1.921   4.341
  134    H4*    U  13           H4*        U  13  -4.106   0.258   4.777
  135    H3*    U  13           H3*        U  13  -1.989  -0.855   6.671
  136    H2*    U  13           H2*        U  13  -2.263   1.067   8.016
  137   2HO*    U  13          2HO*        U  13  -3.923   2.181   5.974
  138    H1*    U  13           H1*        U  13  -5.027   1.159   7.866
  139    H3     U  13           H3         U  13  -3.608   0.077  12.133
  140    H5     U  13           H5         U  13  -3.769  -3.572  10.041
  141    H6     U  13           H6         U  13  -4.171  -2.312   8.007
  142   1H5*    C  14          1H5*        C  14   1.250   2.413   4.547
  143   2H5*    C  14          2H5*        C  14   2.595   1.291   4.837
  144    H4*    C  14           H4*        C  14   2.689   3.704   5.881
  145    H3*    C  14           H3*        C  14   3.253   1.113   7.388
  146    H2*    C  14           H2*        C  14   3.806   2.395   9.294
  147   2HO*    C  14          2HO*        C  14   4.151   4.627   9.198
  148    H1*    C  14           H1*        C  14   1.766   4.250   9.047
  149   1H4     C  14          1H4         C  14  -0.787  -1.088  12.037
  150   2H4     C  14          2H4         C  14  -0.167  -0.083  13.321
  151    H5     C  14           H5         C  14  -0.440  -0.606   9.692
  152    H6     C  14           H6         C  14   0.536   0.975   8.094
  153   1H5*    C  15          1H5*        C  15   7.851   2.426   6.802
  154   2H5*    C  15          2H5*        C  15   8.695   0.889   7.082
  155    H4*    C  15           H4*        C  15   8.970   2.842   8.824
  156    H3*    C  15           H3*        C  15   8.349  -0.066   9.496
  157    H2*    C  15           H2*        C  15   8.394   0.486  11.795
  158   2HO*    C  15          2HO*        C  15   9.935   1.817  12.355
  159    H1*    C  15           H1*        C  15   7.107   2.932  11.600
  160   1H4     C  15          1H4         C  15   2.469  -1.837  11.790
  161   2H4     C  15          2H4         C  15   2.619  -1.242  13.429
  162    H5     C  15           H5         C  15   3.880  -1.095   9.982
  163    H6     C  15           H6         C  15   5.741   0.365   9.356
  164   1H5*    C  16          1H5*        C  16  12.651  -2.275   9.489
  165   2H5*    C  16          2H5*        C  16  11.443  -2.655   8.244
  166    H4*    C  16           H4*        C  16  12.376  -4.607   9.730
  167    H3*    C  16           H3*        C  16   9.435  -4.055   9.163
  168    H2*    C  16           H2*        C  16   8.846  -5.963  10.411
  169   2HO*    C  16          2HO*        C  16  11.609  -6.689  10.459
  170    H1*    C  16           H1*        C  16  10.688  -5.655  12.445
  171   1H4     C  16          1H4         C  16   5.339  -1.886  13.700
  172   2H4     C  16          2H4         C  16   5.216  -3.286  14.742
  173    H5     C  16           H5         C  16   7.095  -1.601  12.081
  174    H6     C  16           H6         C  16   9.105  -2.586  11.105
  175   1H5*    C  17          1H5*        C  17  10.225  -8.196   8.016
  176   2H5*    C  17          2H5*        C  17   9.045  -8.805   6.837
  177    H4*    C  17           H4*        C  17   9.086  -9.979   9.124
  178    H3*    C  17           H3*        C  17   6.571  -8.744   7.937
  179    H2*    C  17           H2*        C  17   5.333  -9.509   9.783
  180   2HO*    C  17          2HO*        C  17   6.070 -11.620   9.935
  181    H1*    C  17           H1*        C  17   7.243  -9.029  11.730
  182   1H4     C  17          1H4         C  17   3.861  -3.396  10.785
  183   2H4     C  17          2H4         C  17   3.121  -4.186  12.159
  184    H5     C  17           H5         C  17   5.599  -4.417   9.450
  185    H6     C  17           H6         C  17   7.016  -6.395   9.174
  186    H3T    C  17           H3T        C  17   6.183 -10.944   7.502
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   1.616  -5.987  21.234
    2   2H5*    G   1          2H5*        G   1   0.612  -5.611  19.809
    3    H4*    G   1           H4*        G   1   2.327  -8.126  20.013
    4    H3*    G   1           H3*        G   1   3.190  -5.296  19.491
    5    H2*    G   1           H2*        G   1   4.195  -5.720  17.478
    6   2HO*    G   1          2HO*        G   1   4.521  -8.420  18.350
    7    H1*    G   1           H1*        G   1   2.807  -8.042  16.663
    8    H8     G   1           H8         G   1   0.611  -5.024  17.372
    9    H1     G   1           H1         G   1   3.120  -4.920  11.508
   10   1H2     G   1          1H2         G   1   5.062  -7.601  12.619
   11   2H2     G   1          2H2         G   1   4.661  -6.512  11.308
   12    H5T    G   1           H5T        G   1   0.458  -7.942  21.438
   13   1H5*    G   2          1H5*        G   2   6.838  -6.969  19.122
   14   2H5*    G   2          2H5*        G   2   7.685  -6.918  20.692
   15    H4*    G   2           H4*        G   2   9.443  -6.204  19.405
   16    H3*    G   2           H3*        G   2   7.645  -3.752  19.469
   17    H2*    G   2           H2*        G   2   9.093  -2.650  17.970
   18   2HO*    G   2          2HO*        G   2  11.074  -3.171  18.934
   19    H1*    G   2           H1*        G   2   9.647  -4.836  16.357
   20    H8     G   2           H8         G   2   5.991  -4.237  17.477
   21    H1     G   2           H1         G   2   7.555  -1.336  12.018
   22   1H2     G   2          1H2         G   2  10.765  -2.539  12.631
   23   2H2     G   2          2H2         G   2   9.701  -1.658  11.554
   24   1H5*    G   3          1H5*        G   3   8.068  -0.014  21.156
   25   2H5*    G   3          2H5*        G   3   7.724  -0.914  19.652
   26    H4*    G   3           H4*        G   3  10.114   0.961  19.940
   27    H3*    G   3           H3*        G   3   7.231   1.668  19.209
   28    H2*    G   3           H2*        G   3   8.155   3.378  17.823
   29   2HO*    G   3          2HO*        G   3   9.875   4.026  19.224
   30    H1*    G   3           H1*        G   3  10.026   1.726  16.673
   31    H8     G   3           H8         G   3   7.116  -0.527  17.008
   32    H1     G   3           H1         G   3   5.941   4.023  12.698
   33   1H2     G   3          1H2         G   3   8.834   5.526  13.931
   34   2H2     G   3          2H2         G   3   7.511   5.594  12.786
   35   1H5*    G   4          1H5*        G   4   6.659   5.924  21.176
   36   2H5*    G   4          2H5*        G   4   5.127   5.282  21.825
   37    H4*    G   4           H4*        G   4   5.318   7.221  19.924
   38    H3*    G   4           H3*        G   4   3.236   5.022  20.221
   39    H2*    G   4           H2*        G   4   2.118   5.855  18.322
   40   2HO*    G   4          2HO*        G   4   2.145   8.059  18.753
   41    H1*    G   4           H1*        G   4   4.387   6.431  16.830
   42    H8     G   4           H8         G   4   4.673   3.048  18.535
   43    H1     G   4           H1         G   4   1.086   2.879  13.257
   44   1H2     G   4          1H2         G   4   1.315   6.358  13.351
   45   2H2     G   4          2H2         G   4   0.686   4.946  12.528
   46   1H5*    A   5          2H5*        A   5  -0.426   8.198  20.297
   47   2H5*    A   5          1H5*        A   5  -1.453   6.751  20.341
   48    H4*    A   5           H4*        A   5  -0.462   8.278  18.027
   49    H3*    A   5           H3*        A   5  -2.608   6.191  18.584
   50    H2*    A   5           H2*        A   5  -2.818   5.788  16.274
   51   2HO*    A   5          2HO*        A   5  -1.979   7.189  14.712
   52    H1*    A   5           H1*        A   5  -0.122   5.938  15.644
   53    H8     A   5           H8         A   5  -0.199   3.887  18.724
   54   1H6     A   5          1H6         A   5  -2.069  -0.916  15.314
   55   2H6     A   5          2H6         A   5  -1.461  -0.424  16.881
   56    H2     A   5           H2         A   5  -2.398   2.795  12.807
   57   1H5*    U   6          1H5*        U   6  -7.220   7.540  16.675
   58   2H5*    U   6          2H5*        U   6  -6.106   6.325  17.341
   59    H4*    U   6           H4*        U   6  -5.501   7.527  14.637
   60    H3*    U   6           H3*        U   6  -7.667   5.481  15.271
   61    H2*    U   6           H2*        U   6  -7.061   4.242  13.357
   62   2HO*    U   6          2HO*        U   6  -6.555   6.600  12.323
   63    H1*    U   6           H1*        U   6  -4.313   4.583  13.568
   64    H3     U   6           H3         U   6  -6.304   0.282  14.258
   65    H5     U   6           H5         U   6  -4.879   1.805  17.915
   66    H6     U   6           H6         U   6  -4.602   3.964  16.836
   67   1H5*    U   7          1H5*        U   7  -8.070   5.450  11.074
   68   2H5*    U   7          2H5*        U   7  -9.559   6.392  10.841
   69    H4*    U   7           H4*        U   7  -9.509   4.240   9.527
   70    H3*    U   7           H3*        U   7 -11.604   4.861  11.601
   71    H2*    U   7           H2*        U   7 -12.588   2.756  11.466
   72   2HO*    U   7          2HO*        U   7 -12.719   2.797   9.152
   73    H1*    U   7           H1*        U   7 -10.352   1.204  10.956
   74    H3     U   7           H3         U   7 -12.423   0.034  14.951
   75    H5     U   7           H5         U   7  -9.329   2.732  15.889
   76    H6     U   7           H6         U   7  -9.151   3.252  13.521
   77   1H5*    G   8          1H5*        G   8 -14.624   4.158   8.674
   78   2H5*    G   8          2H5*        G   8 -16.048   4.927   9.414
   79    H4*    G   8           H4*        G   8 -15.261   2.260   9.616
   80    H3*    G   8           H3*        G   8 -17.443   3.687  10.436
   81    H2*    G   8           H2*        G   8 -16.552   4.612  12.399
   82   2HO*    G   8          2HO*        G   8 -18.324   3.454  13.147
   83    H1*    G   8           H1*        G   8 -15.192   2.016  13.168
   84    H8     G   8           H8         G   8 -13.966   5.628  12.368
   85    H1     G   8           H1         G   8 -13.034   3.782  18.404
   86   1H2     G   8          1H2         G   8 -14.725   0.878  17.454
   87   2H2     G   8          2H2         G   8 -13.915   1.763  18.728
   88   1H5*    A   9          1H5*        A   9 -16.814  -0.316  10.370
   89   2H5*    A   9          2H5*        A   9 -17.135  -0.750   8.681
   90    H4*    A   9           H4*        A   9 -17.796  -2.850   9.241
   91    H3*    A   9           H3*        A   9 -19.848  -1.586  10.507
   92    H2*    A   9           H2*        A   9 -18.774  -1.065  12.537
   93   2HO*    A   9          2HO*        A   9 -20.576  -2.317  13.135
   94    H1*    A   9           H1*        A   9 -17.540  -3.812  12.660
   95    H8     A   9           H8         A   9 -16.175  -0.131  12.632
   96   1H6     A   9          1H6         A   9 -13.501  -1.717  17.967
   97   2H6     A   9          2H6         A   9 -13.734  -0.424  16.813
   98    H2     A   9           H2         A   9 -15.808  -5.261  16.434
   99   1H5*    A  10          1H5*        A  10 -19.095  -7.018   9.625
  100   2H5*    A  10          2H5*        A  10 -18.537  -5.687  10.647
  101    H4*    A  10           H4*        A  10 -17.025  -6.935   8.310
  102    H3*    A  10           H3*        A  10 -17.160  -7.763  10.981
  103    H2*    A  10           H2*        A  10 -16.099  -5.873  11.892
  104   2HO*    A  10          2HO*        A  10 -14.730  -7.697  12.321
  105    H1*    A  10           H1*        A  10 -14.271  -5.823   9.464
  106    H8     A  10           H8         A  10 -14.733  -4.363  12.706
  107   1H6     A  10          1H6         A  10 -13.106   1.179  10.664
  108   2H6     A  10          2H6         A  10 -13.402   0.201  12.084
  109    H2     A  10           H2         A  10 -13.925  -1.404   7.128
  110   1H5*    A  11          2H5*        A  11 -13.827  -8.875   8.059
  111   2H5*    A  11          1H5*        A  11 -12.390  -9.874   8.350
  112    H4*    A  11           H4*        A  11 -12.110  -7.319   7.735
  113    H3*    A  11           H3*        A  11 -10.617  -9.012   9.695
  114    H2*    A  11           H2*        A  11 -10.018  -7.291  11.048
  115   2HO*    A  11          2HO*        A  11  -8.438  -6.833   9.408
  116    H1*    A  11           H1*        A  11 -11.367  -5.132   9.483
  117    H8     A  11           H8         A  11 -12.626  -7.207  12.502
  118   1H6     A  11          1H6         A  11 -11.513  -2.175  15.925
  119   2H6     A  11          2H6         A  11 -12.121  -3.817  15.954
  120    H2     A  11           H2         A  11 -10.247  -1.310  11.716
  121   1H5*    A  12          1H5*        A  12  -5.775  -7.291   6.695
  122   2H5*    A  12          2H5*        A  12  -6.404  -7.458   8.347
  123    H4*    A  12           H4*        A  12  -7.899  -5.753   6.336
  124    H3*    A  12           H3*        A  12  -5.359  -5.030   7.857
  125    H2*    A  12           H2*        A  12  -6.221  -2.880   8.285
  126   2HO*    A  12          2HO*        A  12  -7.952  -2.012   7.159
  127    H1*    A  12           H1*        A  12  -8.841  -3.647   8.788
  128    H8     A  12           H8         A  12  -6.981  -6.159  10.700
  129   1H6     A  12          1H6         A  12  -5.770  -1.922  15.015
  130   2H6     A  12          2H6         A  12  -5.756  -3.631  14.641
  131    H2     A  12           H2         A  12  -7.291   0.207  11.362
  132   1H5*    U  13          1H5*        U  13  -2.772  -2.563   4.810
  133   2H5*    U  13          2H5*        U  13  -1.769  -2.477   6.270
  134    H4*    U  13           H4*        U  13  -4.077  -0.814   5.465
  135    H3*    U  13           H3*        U  13  -1.707  -0.610   7.366
  136    H2*    U  13           H2*        U  13  -2.780   1.150   8.504
  137   2HO*    U  13          2HO*        U  13  -4.703   1.253   6.391
  138    H1*    U  13           H1*        U  13  -5.357   0.120   8.424
  139    H3     U  13           H3         U  13  -3.239   0.405  12.660
  140    H5     U  13           H5         U  13  -3.050  -3.586  11.335
  141    H6     U  13           H6         U  13  -3.807  -2.833   9.154
  142   1H5*    C  14          1H5*        C  14  -1.029   2.865   4.180
  143   2H5*    C  14          2H5*        C  14   0.692   3.306   4.156
  144    H4*    C  14           H4*        C  14  -0.979   5.034   5.148
  145    H3*    C  14           H3*        C  14   1.519   4.041   6.579
  146    H2*    C  14           H2*        C  14   1.050   5.502   8.378
  147   2HO*    C  14          2HO*        C  14   0.504   7.406   7.469
  148    H1*    C  14           H1*        C  14  -1.696   5.131   8.426
  149   1H4     C  14          1H4         C  14   0.699  -0.011  11.826
  150   2H4     C  14          2H4         C  14   0.467   1.248  13.006
  151    H5     C  14           H5         C  14   0.461   0.339   9.447
  152    H6     C  14           H6         C  14  -0.113   1.966   7.711
  153   1H5*    C  15          1H5*        C  15   4.745   6.980   4.273
  154   2H5*    C  15          2H5*        C  15   5.235   5.273   4.242
  155    H4*    C  15           H4*        C  15   6.940   7.115   5.133
  156    H3*    C  15           H3*        C  15   6.303   4.428   6.437
  157    H2*    C  15           H2*        C  15   7.858   4.893   8.158
  158   2HO*    C  15          2HO*        C  15   8.712   7.160   6.637
  159    H1*    C  15           H1*        C  15   7.174   7.543   8.528
  160   1H4     C  15          1H4         C  15   2.712   3.676  11.632
  161   2H4     C  15          2H4         C  15   3.929   4.037  12.835
  162    H5     C  15           H5         C  15   2.883   4.362   9.341
  163    H6     C  15           H6         C  15   4.253   5.529   7.691
  164   1H5*    C  16          1H5*        C  16   9.976   1.952   3.809
  165   2H5*    C  16          2H5*        C  16   8.409   1.349   3.234
  166    H4*    C  16           H4*        C  16  10.209  -0.372   4.124
  167    H3*    C  16           H3*        C  16   7.249  -0.291   4.842
  168    H2*    C  16           H2*        C  16   7.522  -2.176   6.222
  169   2HO*    C  16          2HO*        C  16   8.718  -3.541   4.962
  170    H1*    C  16           H1*        C  16   9.988  -1.505   7.284
  171   1H4     C  16          1H4         C  16   5.111   1.424  10.766
  172   2H4     C  16          2H4         C  16   5.841   0.222  11.810
  173    H5     C  16           H5         C  16   5.807   1.787   8.486
  174    H6     C  16           H6         C  16   7.324   1.061   6.710
  175   1H5*    C  17          1H5*        C  17   4.308  -3.709   3.298
  176   2H5*    C  17          2H5*        C  17   5.000  -2.414   4.296
  177    H4*    C  17           H4*        C  17   6.574  -4.950   4.199
  178    H3*    C  17           H3*        C  17   3.793  -4.755   5.424
  179    H2*    C  17           H2*        C  17   4.530  -6.004   7.278
  180   2HO*    C  17          2HO*        C  17   6.104  -7.440   7.159
  181    H1*    C  17           H1*        C  17   7.030  -4.833   7.524
  182   1H4     C  17          1H4         C  17   2.773  -0.796  10.617
  183   2H4     C  17          2H4         C  17   2.964  -2.133  11.729
  184    H5     C  17           H5         C  17   3.699  -0.792   8.388
  185    H6     C  17           H6         C  17   5.021  -2.056   6.758
  186    H3T    C  17           H3T        C  17   4.008  -6.092   3.616
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -1.605  -7.340  17.655
    2   2H5*    G   1          2H5*        G   1  -1.025  -6.739  19.229
    3    H4*    G   1           H4*        G   1   0.388  -8.535  19.072
    4    H3*    G   1           H3*        G   1   1.578  -6.384  17.383
    5    H2*    G   1           H2*        G   1   2.932  -7.746  16.090
    6   2HO*    G   1          2HO*        G   1   4.061  -8.872  17.579
    7    H1*    G   1           H1*        G   1   1.438 -10.058  15.942
    8    H8     G   1           H8         G   1  -1.227  -7.804  15.119
    9    H1     G   1           H1         G   1   3.215  -7.389  10.565
   10   1H2     G   1          1H2         G   1   5.301  -8.987  12.859
   11   2H2     G   1          2H2         G   1   5.128  -8.277  11.268
   12    H5T    G   1           H5T        G   1  -1.107  -5.104  17.628
   13   1H5*    G   2          1H5*        G   2   5.103  -7.607  18.982
   14   2H5*    G   2          2H5*        G   2   5.808  -6.472  20.165
   15    H4*    G   2           H4*        G   2   7.486  -6.955  18.493
   16    H3*    G   2           H3*        G   2   6.075  -4.301  17.972
   17    H2*    G   2           H2*        G   2   7.604  -3.920  16.204
   18   2HO*    G   2          2HO*        G   2   9.373  -5.007  17.605
   19    H1*    G   2           H1*        G   2   7.518  -6.482  15.190
   20    H8     G   2           H8         G   2   3.970  -5.693  16.026
   21    H1     G   2           H1         G   2   5.986  -2.366  10.972
   22   1H2     G   2          1H2         G   2   9.158  -3.488  11.868
   23   2H2     G   2          2H2         G   2   8.185  -2.560  10.746
   24   1H5*    G   3          1H5*        G   3   9.904  -2.811  17.319
   25   2H5*    G   3          2H5*        G   3  10.255  -2.023  18.879
   26    H4*    G   3           H4*        G   3  11.050  -0.445  17.357
   27    H3*    G   3           H3*        G   3   8.078   0.136  17.684
   28    H2*    G   3           H2*        G   3   8.319   1.952  16.188
   29   2HO*    G   3          2HO*        G   3  10.334   2.769  15.588
   30    H1*    G   3           H1*        G   3  10.001   0.666  14.402
   31    H8     G   3           H8         G   3   7.107  -1.507  15.643
   32    H1     G   3           H1         G   3   5.505   2.326  10.809
   33   1H2     G   3          1H2         G   3   8.692   3.680  11.205
   34   2H2     G   3          2H2         G   3   7.194   3.677  10.295
   35   1H5*    G   4          1H5*        G   4   5.916   3.053  20.208
   36   2H5*    G   4          2H5*        G   4   6.059   1.862  18.885
   37    H4*    G   4           H4*        G   4   6.521   4.844  18.452
   38    H3*    G   4           H3*        G   4   3.858   3.360  18.595
   39    H2*    G   4           H2*        G   4   3.060   4.708  16.834
   40   2HO*    G   4          2HO*        G   4   4.005   6.615  16.231
   41    H1*    G   4           H1*        G   4   5.385   4.662  15.324
   42    H8     G   4           H8         G   4   4.678   1.203  16.694
   43    H1     G   4           H1         G   4   0.975   2.711  11.727
   44   1H2     G   4          1H2         G   4   2.283   5.920  12.130
   45   2H2     G   4          2H2         G   4   1.215   4.867  11.230
   46   1H5*    A   5          1H5*        A   5   1.079   7.235  19.404
   47   2H5*    A   5          2H5*        A   5  -0.241   6.049  19.420
   48    H4*    A   5           H4*        A   5   0.754   7.673  17.209
   49    H3*    A   5           H3*        A   5  -1.615   5.823  17.712
   50    H2*    A   5           H2*        A   5  -2.087   5.801  15.406
   51   2HO*    A   5          2HO*        A   5  -1.868   8.036  15.006
   52    H1*    A   5           H1*        A   5   0.535   5.693  14.513
   53    H8     A   5           H8         A   5   0.442   3.219  17.263
   54   1H6     A   5          1H6         A   5  -2.452  -0.698  13.473
   55   2H6     A   5          2H6         A   5  -1.622  -0.535  15.005
   56    H2     A   5           H2         A   5  -2.468   3.375  11.554
   57   1H5*    U   6          2H5*        U   6  -6.184   7.264  16.964
   58   2H5*    U   6          1H5*        U   6  -4.929   6.039  17.261
   59    H4*    U   6           H4*        U   6  -5.072   7.285  14.521
   60    H3*    U   6           H3*        U   6  -7.073   5.292  15.678
   61    H2*    U   6           H2*        U   6  -7.048   4.101  13.645
   62   2HO*    U   6          2HO*        U   6  -6.103   4.980  11.747
   63    H1*    U   6           H1*        U   6  -4.343   4.326  13.127
   64    H3     U   6           H3         U   6  -6.337   0.119  14.276
   65    H5     U   6           H5         U   6  -3.800   1.421  17.374
   66    H6     U   6           H6         U   6  -3.715   3.605  16.304
   67   1H5*    U   7          1H5*        U   7  -8.195   5.645  11.431
   68   2H5*    U   7          2H5*        U   7  -9.794   6.404  11.549
   69    H4*    U   7           H4*        U   7  -9.498   4.334   9.973
   70    H3*    U   7           H3*        U   7 -11.701   4.916  11.924
   71    H2*    U   7           H2*        U   7 -12.640   2.800  11.833
   72   2HO*    U   7          2HO*        U   7 -11.298   2.430   9.345
   73    H1*    U   7           H1*        U   7 -10.416   1.237  11.251
   74    H3     U   7           H3         U   7 -12.567  -0.050  15.181
   75    H5     U   7           H5         U   7  -9.405   2.515  16.251
   76    H6     U   7           H6         U   7  -9.187   3.123  13.907
   77   1H5*    G   8          1H5*        G   8 -14.210   4.152   8.615
   78   2H5*    G   8          2H5*        G   8 -15.799   4.879   8.945
   79    H4*    G   8           H4*        G   8 -15.057   2.277   9.455
   80    H3*    G   8           H3*        G   8 -17.345   3.721   9.836
   81    H2*    G   8           H2*        G   8 -16.810   4.718  11.882
   82   2HO*    G   8          2HO*        G   8 -18.689   3.496  12.296
   83    H1*    G   8           H1*        G   8 -15.586   2.172  12.980
   84    H8     G   8           H8         G   8 -14.139   5.699  12.226
   85    H1     G   8           H1         G   8 -14.562   4.305  18.435
   86   1H2     G   8          1H2         G   8 -16.139   1.382  17.359
   87   2H2     G   8          2H2         G   8 -15.575   2.343  18.708
   88   1H5*    A   9          1H5*        A   9 -16.645  -0.553  10.049
   89   2H5*    A   9          2H5*        A   9 -17.145  -1.105   8.439
   90    H4*    A   9           H4*        A   9 -17.518  -3.179   9.257
   91    H3*    A   9           H3*        A   9 -19.768  -1.931  10.143
   92    H2*    A   9           H2*        A   9 -18.949  -1.097  12.190
   93   2HO*    A   9          2HO*        A   9 -19.938  -3.736  12.688
   94    H1*    A   9           H1*        A   9 -17.590  -3.722  12.784
   95    H8     A   9           H8         A   9 -16.412   0.014  12.433
   96   1H6     A   9          1H6         A   9 -14.199  -0.773  18.140
   97   2H6     A   9          2H6         A   9 -14.381   0.357  16.819
   98    H2     A   9           H2         A   9 -16.177  -4.605  16.856
   99   1H5*    A  10          1H5*        A  10 -18.531  -7.316   9.900
  100   2H5*    A  10          2H5*        A  10 -18.108  -5.866  10.821
  101    H4*    A  10           H4*        A  10 -16.382  -7.209   8.687
  102    H3*    A  10           H3*        A  10 -16.660  -8.016  11.314
  103    H2*    A  10           H2*        A  10 -16.096  -5.876  12.234
  104   2HO*    A  10          2HO*        A  10 -14.722  -7.467  13.173
  105    H1*    A  10           H1*        A  10 -13.807  -5.882  10.220
  106    H8     A  10           H8         A  10 -14.854  -4.222  13.193
  107   1H6     A  10          1H6         A  10 -13.388   1.289  10.947
  108   2H6     A  10          2H6         A  10 -13.829   0.394  12.382
  109    H2     A  10           H2         A  10 -13.421  -1.611   7.558
  110   1H5*    A  11          1H5*        A  11 -11.623 -10.399  10.016
  111   2H5*    A  11          2H5*        A  11 -12.694  -9.369  10.986
  112    H4*    A  11           H4*        A  11 -12.078  -8.338   8.257
  113    H3*    A  11           H3*        A  11  -9.893  -9.285   9.818
  114    H2*    A  11           H2*        A  11  -9.717  -7.602  11.364
  115   2HO*    A  11          2HO*        A  11  -8.858  -6.409   8.945
  116    H1*    A  11           H1*        A  11 -11.048  -5.472   9.724
  117    H8     A  11           H8         A  11 -12.033  -7.572  12.825
  118   1H6     A  11          1H6         A  11 -11.760  -2.288  16.020
  119   2H6     A  11          2H6         A  11 -12.076  -4.007  16.125
  120    H2     A  11           H2         A  11 -10.705  -1.394  11.758
  121   1H5*    A  12          1H5*        A  12  -6.380  -6.619   5.722
  122   2H5*    A  12          2H5*        A  12  -6.439  -6.875   7.478
  123    H4*    A  12           H4*        A  12  -8.607  -5.336   5.987
  124    H3*    A  12           H3*        A  12  -5.959  -4.375   7.151
  125    H2*    A  12           H2*        A  12  -7.018  -2.426   7.938
  126   2HO*    A  12          2HO*        A  12  -8.351  -1.596   6.510
  127    H1*    A  12           H1*        A  12  -9.377  -3.604   8.769
  128    H8     A  12           H8         A  12  -6.890  -5.959  10.089
  129   1H6     A  12          1H6         A  12  -5.418  -1.923  14.518
  130   2H6     A  12          2H6         A  12  -5.254  -3.579  13.973
  131    H2     A  12           H2         A  12  -7.881   0.228  11.435
  132   1H5*    U  13          1H5*        U  13  -5.436  -1.274   3.508
  133   2H5*    U  13          2H5*        U  13  -3.932  -0.606   4.173
  134    H4*    U  13           H4*        U  13  -6.578   0.266   4.719
  135    H3*    U  13           H3*        U  13  -3.860   0.794   5.989
  136    H2*    U  13           H2*        U  13  -4.899   2.048   7.691
  137   2HO*    U  13          2HO*        U  13  -7.121   2.615   7.578
  138    H1*    U  13           H1*        U  13  -7.024   0.328   8.099
  139    H3     U  13           H3         U  13  -3.701   0.575  11.482
  140    H5     U  13           H5         U  13  -3.047  -2.921   9.224
  141    H6     U  13           H6         U  13  -4.657  -2.102   7.601
  142   1H5*    C  14          1H5*        C  14  -3.235   5.279   3.608
  143   2H5*    C  14          2H5*        C  14  -1.682   4.493   3.238
  144    H4*    C  14           H4*        C  14  -1.737   6.875   4.509
  145    H3*    C  14           H3*        C  14   0.013   4.455   5.181
  146    H2*    C  14           H2*        C  14   1.018   5.648   6.962
  147   2HO*    C  14          2HO*        C  14   1.018   7.808   7.103
  148    H1*    C  14           H1*        C  14  -1.307   6.752   7.948
  149   1H4     C  14          1H4         C  14  -0.946   0.439  10.044
  150   2H4     C  14          2H4         C  14   0.174   1.292  11.078
  151    H5     C  14           H5         C  14  -2.051   1.462   8.163
  152    H6     C  14           H6         C  14  -2.346   3.529   6.889
  153   1H5*    C  15          1H5*        C  15   3.819   5.573   2.234
  154   2H5*    C  15          2H5*        C  15   3.446   3.850   2.010
  155    H4*    C  15           H4*        C  15   5.938   4.594   2.601
  156    H3*    C  15           H3*        C  15   4.359   2.302   3.851
  157    H2*    C  15           H2*        C  15   6.198   1.759   5.228
  158   2HO*    C  15          2HO*        C  15   8.272   2.552   4.858
  159    H1*    C  15           H1*        C  15   6.943   4.355   5.848
  160   1H4     C  15          1H4         C  15   1.960   2.309   9.801
  161   2H4     C  15          2H4         C  15   3.417   2.248  10.768
  162    H5     C  15           H5         C  15   1.943   2.934   7.479
  163    H6     C  15           H6         C  15   3.308   3.622   5.578
  164   1H5*    C  16          1H5*        C  16   8.250   0.625   2.802
  165   2H5*    C  16          2H5*        C  16   7.949  -0.685   1.641
  166    H4*    C  16           H4*        C  16   9.580  -1.466   3.275
  167    H3*    C  16           H3*        C  16   6.768  -2.588   3.588
  168    H2*    C  16           H2*        C  16   7.494  -3.905   5.401
  169   2HO*    C  16          2HO*        C  16   9.519  -4.585   5.631
  170    H1*    C  16           H1*        C  16   9.199  -2.044   6.548
  171   1H4     C  16          1H4         C  16   3.036  -0.834   8.745
  172   2H4     C  16          2H4         C  16   3.924  -1.534  10.079
  173    H5     C  16           H5         C  16   3.969  -0.563   6.536
  174    H6     C  16           H6         C  16   5.946  -0.903   5.137
  175   1H5*    C  17          1H5*        C  17   6.744  -7.652   3.266
  176   2H5*    C  17          2H5*        C  17   6.137  -6.119   3.925
  177    H4*    C  17           H4*        C  17   8.708  -7.294   5.004
  178    H3*    C  17           H3*        C  17   5.864  -8.192   5.620
  179    H2*    C  17           H2*        C  17   6.423  -8.386   7.897
  180   2HO*    C  17          2HO*        C  17   8.594  -8.332   8.618
  181    H1*    C  17           H1*        C  17   8.004  -6.114   8.069
  182   1H4     C  17          1H4         C  17   1.779  -3.966   8.727
  183   2H4     C  17          2H4         C  17   2.097  -4.762  10.252
  184    H5     C  17           H5         C  17   3.280  -4.078   6.841
  185    H6     C  17           H6         C  17   5.426  -4.934   6.029
  186    H3T    C  17           H3T        C  17   6.914  -9.839   4.708