*HEADER    RNA                                     12-JAN-04   1S34              
*TITLE     SOLUTION STRUCTURE OF RESIDUES 907-929 FROM ROUS SARCOMA              
*TITLE    2 VIRUS                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*GP*GP*AP*GP*UP*GP*GP*UP*UP*UP*GP*UP*AP*UP*CP*CP*UP          
*COMPND   4 *UP*CP*CP*C)-3';                                                     
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 FRAGMENT: PSEUDO 5'-SPLICE SITE;                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: IN VITRO TRANSCRIPTION                                
*KEYWDS    STEM-LOOP, TETRALOOP, BULGE                                           
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    J.CABELLO-VILLEGAS, K.GILES, A.M.SOTO, P.YU, K.L.BEEMON,              
*AUTHOR   2 Y.X.WANG                                                             
*REVDAT   1   31-AUG-04 1S34    0                                                
!TORSION ANGLE RESTRAINTS
! 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 1,2,3,4,5,9,15,16,17,18,19,20,21,22,23)
assign ( resid 2  and name C2') 
       ( resid 2  and name C1') 
       ( resid 2  and name O4') 
       ( resid 2  and name C4')  1.0  3.4  7.5 2 
assign ( resid 2  and name O4') 
       ( resid 2  and name C4') 
       ( resid 2  and name C3') 
       ( resid 2  and name C2')  1.0  324 7.5 2
assign ( resid 3  and name C2') 
       ( resid 3  and name C1') 
       ( resid 3  and name O4') 
       ( resid 3  and name C4')  1.0  3.4  7.5 2
assign ( resid 3  and name O4') 
       ( resid 3  and name C4') 
       ( resid 3  and name C3') 
       ( resid 3  and name C2')  1.0  324 7.5 2
assign ( resid 4  and name C2') 
       ( resid 4  and name C1') 
       ( resid 4  and name O4') 
       ( resid 4  and name C4')  1.0  3.4  7.5 2 
assign ( resid 4  and name O4') 
       ( resid 4  and name C4') 
       ( resid 4  and name C3') 
       ( resid 4  and name C2')  1.0  324 7.5 2
assign ( resid 5  and name C2') 
       ( resid 5  and name C1') 
       ( resid 5  and name O4') 
       ( resid 5  and name C4')  1.0  3.4  7.5 2 
assign ( resid 5  and name O4') 
       ( resid 5  and name C4') 
       ( resid 5  and name C3') 
       ( resid 5  and name C2')  1.0  324 7.5 2 
assign ( resid 9  and name C2') 
       ( resid 9  and name C1') 
       ( resid 9  and name O4') 
       ( resid 9  and name C4')  1.0  3.4  7.5 2 
assign ( resid 9  and name O4') 
       ( resid 9  and name C4') 
       ( resid 9  and name C3') 
       ( resid 9  and name C2')  1.0  324 7.5 2
assign ( resid 15  and name C2') 
       ( resid 15  and name C1') 
       ( resid 15  and name O4') 
       ( resid 15  and name C4')  1.0  3.4  7.5 2
assign ( resid 15  and name O4') 
       ( resid 15  and name C4') 
       ( resid 15  and name C3') 
       ( resid 15  and name C2')  1.0  324 7.5 2
assign ( resid 16  and name C2') 
       ( resid 16  and name C1') 
       ( resid 16  and name O4') 
       ( resid 16  and name C4')  1.0  3.4  7.5 2 
assign ( resid 16  and name O4') 
       ( resid 16  and name C4') 
       ( resid 16  and name C3') 
       ( resid 16  and name C2')  1.0  324 7.5 2
assign ( resid 17  and name C2') 
       ( resid 17  and name C1') 
       ( resid 17  and name O4') 
       ( resid 17  and name C4')  1.0  3.4  7.5 2
assign ( resid 17  and name O4') 
       ( resid 17  and name C4') 
       ( resid 17  and name C3') 
       ( resid 17  and name C2')  1.0  324 7.5 2
assign ( resid 18  and name C2') 
       ( resid 18  and name C1') 
       ( resid 18  and name O4') 
       ( resid 18  and name C4')  1.0  3.4  7.5 2
assign ( resid 18  and name O4') 
       ( resid 18  and name C4') 
       ( resid 18  and name C3') 
       ( resid 18  and name C2')  1.0  324 7.5 2
assign ( resid 19  and name C2') 
       ( resid 19  and name C1') 
       ( resid 19  and name O4') 
       ( resid 19  and name C4')  1.0  3.4  7.5 2
assign ( resid 19  and name O4') 
       ( resid 19  and name C4') 
       ( resid 19  and name C3') 
       ( resid 19  and name C2')  1.0  324 7.5 2
assign ( resid 20  and name C2') 
       ( resid 20  and name C1') 
       ( resid 20  and name O4') 
       ( resid 20  and name C4')  1.0  3.4  7.5 2
assign ( resid 20  and name O4') 
       ( resid 20  and name C4') 
       ( resid 20  and name C3') 
       ( resid 20  and name C2')  1.0  324 7.5 2
assign ( resid 21  and name C2')
       ( resid 21  and name C1')
       ( resid 21  and name O4')
       ( resid 21  and name C4')  1.0  3.4  7.5 2
assign ( resid 21  and name O4')
       ( resid 21  and name C4')
       ( resid 21  and name C3')
       ( resid 21  and name C2')  1.0  324 7.5 2
assign ( resid 22  and name C2')
       ( resid 22  and name C1')
       ( resid 22  and name O4')
       ( resid 22  and name C4')  1.0  3.4  7.5 2
assign ( resid 22  and name O4')
       ( resid 22  and name C4')
       ( resid 22  and name C3')
       ( resid 22  and name C2')  1.0  324 7.5 2

!
!     2'ENDO SUGAR CONSTRAINTS (for residues 11,12)
!      -determined by strong H1'-H2' coupling, Weak H3'-H4' coupling, C3'>C2' chem shifts
!
assign ( resid 11  and name C2') 
       ( resid 11  and name C1') 
       ( resid 11  and name O4') 
       ( resid 11  and name C4')  1.0  356  7.5 2
assign ( resid 11  and name O4') 
       ( resid 11  and name C4') 
       ( resid 11  and name C3') 
       ( resid 11  and name C2')  1.0  33 7.5 2
assign ( resid 12  and name C2') 
       ( resid 12  and name C1') 
       ( resid 12  and name O4') 
       ( resid 12  and name C4')  1.0  356  7.5 2
assign ( resid 12  and name O4') 
       ( resid 12  and name C4') 
       ( resid 12  and name C3') 
       ( resid 12  and name C2')  1.0  33 7.5 2

!
!    UNCONSTRAINED SUGAR PUCKER (residues 6,7,8,10,13,14,23)
!
! Epsilon torsion angles
!trans 
! for residues 6,10,17,20,21,22
!trans o g- for 3,4,9,11,12,13,14; J H3'-P > 5 Hz, no info C2'-P

!G1 trans
!assign ( resid 1  and name C4') 
!       ( resid 1  and name C3') 
!       ( resid 1  and name O3') 
!       ( resid 2  and name P  )  1.0  210.0 40.0 2
!G2 trans
!assign ( resid 2  and name C4')
!       ( resid 2  and name C3') 
!       ( resid 2  and name O3') 
!       ( resid 3  and name P  )  1.0  210.0 40.0 2
!G3 trans g-
assign ( resid 3  and name C4')
       ( resid 3  and name C3') 
       ( resid 3  and name O3') 
       ( resid 4  and name P  )  1.0  235.0 65.0 2
!G4 trans g-
assign ( resid 4  and name C4')
       ( resid 4  and name C3') 
       ( resid 4  and name O3') 
       ( resid 5  and name P  )  1.0  235.0 65.0 2
!A5 trans
!assign ( resid 5  and name C4')
!       ( resid 5  and name C3') 
!       ( resid 5  and name O3') 
!       ( resid 6  and name P  )  1.0  210.0 40.0 2
!G6 trans
!assign ( resid 6  and name C4')
!       ( resid 6  and name C3') 
!       ( resid 6  and name O3') 
!       ( resid 7  and name P  )  1.0  210.0 40.0 2
!G9 trans g-
assign ( resid 9  and name C4')
       ( resid 9  and name C3')
       ( resid 9  and name O3')
       ( resid 10  and name P  )  1.0  235.0 65.0 2
!U10 trans
!assign ( resid 10  and name C4')
!       ( resid 10  and name C3')
!       ( resid 10  and name O3')
!       ( resid 11  and name P  )  1.0  210.0 40.0 2
!U11 trans g-
!assign ( resid 11  and name C4')
!       ( resid 11  and name C3')
!       ( resid 11  and name O3')
!       ( resid 12  and name P  )  1.0  235.0 65.0 2
!U12 trans g-
!assign ( resid 12  and name C4')
!       ( resid 12  and name C3')
!       ( resid 12  and name O3')
!       ( resid 13  and name P  )  1.0  235.0 65.0 2
!U13 trans g-
!assign ( resid 13  and name C4')
!       ( resid 13  and name C3')
!       ( resid 13  and name O3')
!       ( resid 14  and name P  )  1.0  235.0 65.0 2
!U14 trans g-
!assign ( resid 14  and name C4')
!       ( resid 14  and name C3')
!       ( resid 14  and name O3')
!       ( resid 15  and name P  )  1.0  235.0 65.0 2
!U17 trans 
assign ( resid 17  and name C4')
       ( resid 17  and name C3')
       ( resid 17  and name O3')
       ( resid 18  and name P  )  1.0  210.0 40.0 2
!U20 trans
assign ( resid 20  and name C4')
       ( resid 20  and name C3')
       ( resid 20  and name O3')
       ( resid 21  and name P  )  1.0  210.0 40.0 2
!U21 trans
assign ( resid 21  and name C4')
       ( resid 21  and name C3')
       ( resid 21  and name O3')
       ( resid 22  and name P  )  1.0  210.0 40.0 2

!U22 trans
assign ( resid 22  and name C4')
       ( resid 22  and name C3')
       ( resid 22  and name O3')
       ( resid 23  and name P  )  1.0  210.0 40.0 2


! backbone alpha + zeta constraints para NRS23
!     U12
!   U11  G13
!  U10 U14
!  G9     A15
!  G8     U16   
!  U7  C17
!   G6 - C18   
!   A5 - U19
!   G4 - U20
!   G3 - C21
!   G2 - C22
!   G1 - C23
!       5'        3'
! 
! 
! ****************************************************************************
! 
! alpha 
! 
! ****************************************************************************
! 
!
! G1 (no constraint: no 5' phosphate in molecular model)
! 
! 
! G2 
! 
assign ( resid  1  and name O3') 
       ( resid  2  and name P  ) 
       ( resid  2  and name O5')
       ( resid  2  and name C5')  1.0  0.0 120.0 2
! 
! G3 
! 
assign ( resid  2  and name O3') 
       ( resid  3  and name P  ) 
       ( resid  3  and name O5')
       ( resid  3  and name C5')  1.0  0.0 120.0 2
 
! G4 
 
assign ( resid  3  and name O3') 
       ( resid  4  and name P  ) 
       ( resid  4  and name O5')
       ( resid  4  and name C5')  1.0  0.0 120.0 2
 
! A5 
 
assign ( resid  4  and name O3') 
       ( resid  5  and name P  ) 
       ( resid  5  and name O5')
       ( resid  5  and name C5')  1.0  0.0 120.0 2
 
! G6 
 
assign ( resid  5  and name O3') 
       ( resid  6  and name P  ) 
       ( resid  6  and name O5')
       ( resid  6  and name C5')  1.0  0.0 120.0 2
! 
! U7 
! 
assign ( resid  6  and name O3') 
       ( resid  7  and name P  ) 
       ( resid  7  and name O5')
       ( resid  7  and name C5')  1.0  0.0 120.0 2
! 
! G8 
! 
assign ( resid  7  and name O3') 
       ( resid  8  and name P  ) 
       ( resid  8  and name O5')
       ( resid  8  and name C5')  1.0  0.0 120.0 2
! 
! G9 
! 
assign ( resid  8  and name O3') 
       ( resid  9  and name P  ) 
       ( resid  9  and name O5')
       ( resid  9  and name C5')  1.0  0.0 120.0 2
! 
! U10 
! 
assign ( resid  9  and name O3') 
       ( resid 10  and name P  ) 
       ( resid 10  and name O5')
       ( resid 10  and name C5')  1.0  0.0 120.0 2
! 
! U11 
! 
assign ( resid 10  and name O3') 
       ( resid 11  and name P  ) 
       ( resid 11  and name O5')
       ( resid 11  and name C5')  1.0  0.0 120.0 2
! 
! U12 
! 
assign ( resid 11  and name O3') 
       ( resid 12  and name P  ) 
       ( resid 12  and name O5')
       ( resid 12  and name C5')  1.0  0.0 120.0 2
! 
! G13 
! 
assign ( resid 12  and name O3') 
       ( resid 13  and name P  ) 
       ( resid 13  and name O5')
       ( resid 13  and name C5')  1.0  0.0 120.0 2
! 
! U14 
! 
assign ( resid 13  and name O3') 
       ( resid 14  and name P  ) 
       ( resid 14  and name O5')
       ( resid 14  and name C5')  1.0  0.0 120.0 2
! 
! A15 
! 
assign ( resid 14  and name O3') 
       ( resid 15  and name P  ) 
       ( resid 15  and name O5')
       ( resid 15  and name C5')  1.0  0.0 120.0 2

!
! A16
!
assign ( resid 15  and name O3')
       ( resid 16  and name P  )
       ( resid 16  and name O5')
       ( resid 16  and name C5')  1.0  0.0 120.0 2

!
! C17
!
assign ( resid 16  and name O3')
       ( resid 17  and name P  )
       ( resid 17  and name O5')
       ( resid 17  and name C5')  1.0  0.0 120.0 2
!
! C18
!
assign ( resid 17  and name O3')
       ( resid 18  and name P  )
       ( resid 18  and name O5')
       ( resid 18  and name C5')  1.0  0.0 120.0 2

!
! C19
!
assign ( resid 18  and name O3')
       ( resid 19  and name P  )
       ( resid 19  and name O5')
       ( resid 19  and name C5')  1.0  0.0 120.0 2

!
! C20
!
assign ( resid 19  and name O3')
       ( resid 20  and name P  )
       ( resid 20  and name O5')
       ( resid 20  and name C5')  1.0  0.0 120.0 2

!
! C21
!
assign ( resid 20  and name O3')
       ( resid 21  and name P  )
       ( resid 21  and name O5')
       ( resid 21  and name C5')  1.0  0.0 120.0 2
!
! C22
!
assign ( resid 21  and name O3')
       ( resid 22  and name P  )
       ( resid 22  and name O5')
       ( resid 22  and name C5')  1.0  0.0 120.0 2
!
! C23
!
assign ( resid 22  and name O3')
       ( resid 23  and name P  )
       ( resid 23  and name O5')
       ( resid 23  and name C5')  1.0  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 ( resid  1  and name C3') 
       ( resid  1  and name O3') 
       ( resid  2  and name P  )
       ( resid  2  and name O5')  1.0  0.0 120.0 2
! 
! G2 
! 
assign ( resid  2  and name C3') 
       ( resid  2  and name O3') 
       ( resid  3  and name P  )
       ( resid  3  and name O5')  1.0  0.0 120.0 2
! 
! G3 
! 
assign ( resid  3  and name C3') 
       ( resid  3  and name O3') 
       ( resid  4  and name P  )
       ( resid  4  and name O5')  1.0  0.0 120.0 2
! 
! G4 
! 
assign ( resid  4  and name C3') 
       ( resid  4  and name O3') 
       ( resid  5  and name P  )
       ( resid  5  and name O5')  1.0  0.0 120.0 2
! 
! A5 
! 
assign ( resid  5  and name C3') 
       ( resid  5  and name O3') 
       ( resid  6  and name P  )
       ( resid  6  and name O5')  1.0  0.0 120.0 2
! 
! G6 
! 
assign ( resid  6  and name C3') 
       ( resid  6  and name O3') 
       ( resid  7  and name P  )
       ( resid  7  and name O5')  1.0  0.0 120.0 2
! 
! U7 
! 
assign ( resid  7  and name C3') 
       ( resid  7  and name O3') 
       ( resid  8  and name P  )
       ( resid  8  and name O5')  1.0  0.0 120.0 2
! 
! G8 
! 
assign ( resid  8  and name C3') 
       ( resid  8  and name O3') 
       ( resid  9  and name P  )
       ( resid  9  and name O5')  1.0  0.0 120.0 2
! 
! G9 
! 
assign ( resid  9  and name C3') 
       ( resid  9  and name O3') 
       ( resid 10  and name P  )
       ( resid 10  and name O5')  1.0  0.0 120.0 2
! 
! U10 
! 
assign ( resid 10  and name C3') 
       ( resid 10  and name O3') 
       ( resid 11  and name P  )
       ( resid 11  and name O5')  1.0  0.0 120.0 2
! 
! U11 
! 
assign ( resid 11  and name C3') 
       ( resid 11  and name O3') 
       ( resid 12  and name P  )
       ( resid 12  and name O5')  1.0  0.0 120.0 2
! 
! U12 
! 
assign ( resid 12  and name C3') 
       ( resid 12  and name O3') 
       ( resid 13  and name P  )
       ( resid 13  and name O5')  1.0  0.0 120.0 2
! 
! G13 
! 
assign ( resid 13  and name C3') 
       ( resid 13  and name O3') 
       ( resid 14  and name P  )
       ( resid 14  and name O5')  1.0  0.0 120.0 2
!
! U14 
! 
assign ( resid 14  and name C3') 
       ( resid 14  and name O3') 
       ( resid 15  and name P  )
       ( resid 15  and name O5')  1.0  0.0 120.0 2

! A15
!
assign ( resid 15  and name C3')
       ( resid 15  and name O3')
       ( resid 16  and name P  )       
       ( resid 16  and name O5')  1.0  0.0 120.0 2

! U16
!
assign ( resid 16  and name C3')
       ( resid 16  and name O3')
       ( resid 17  and name P  )
       ( resid 17  and name O5')  1.0  0.0 120.0 2

! C17
!
assign ( resid 17  and name C3')
       ( resid 17  and name O3')
       ( resid 18  and name P  )
       ( resid 18  and name O5')  1.0  0.0 120.0 2

! C18
!
assign ( resid 18  and name C3')
       ( resid 18  and name O3')
       ( resid 19  and name P  )
       ( resid 19  and name O5')  1.0  0.0 120.0 2

! C19
!
assign ( resid 19  and name C3')
       ( resid 19  and name O3')
       ( resid 20  and name P  )
       ( resid 20  and name O5')  1.0  0.0 120.0 2


! U20
!
assign ( resid 20  and name C3')
       ( resid 20  and name O3')
       ( resid 21  and name P  )
       ( resid 21  and name O5')  1.0  0.0 120.0 2

! C21
!
assign ( resid 21  and name C3')
       ( resid 21  and name O3')
       ( resid 22  and name P  )
       ( resid 22  and name O5')  1.0  0.0 120.0 2

! C22
!
assign ( resid 22  and name C3')
       ( resid 22  and name O3')
       ( resid 23  and name P  )
       ( resid 23  and name O5')  1.0  0.0 120.0 2

!Beta torsion angle constraints
!From Szypersky method, trans for 13 and 22
!from H5' and '' > 5Hz, trans for 9, 10, 11 and 21

!G9
assign ( resid 9  and name P  )
       ( resid 9  and name O5')
       ( resid 9  and name C5')
       ( resid 9  and name C4') 1.0 180.0  40.0  2

!U10
assign ( resid 10  and name P  )
       ( resid 10  and name O5')
       ( resid 10  and name C5')
       ( resid 10  and name C4') 1.0 180.0  40.0  2

!U11
!assign ( resid 11  and name P  )
!       ( resid 11  and name O5')
!       ( resid 11  and name C5')
!       ( resid 11  and name C4') 1.0 180.0  40.0  2

!U13
!assign ( resid 13  and name P  )
!       ( resid 13  and name O5')
!       ( resid 13  and name C5')
!       ( resid 13  and name C4') 1.0 180.0  40.0  2

!C21
assign ( resid 21  and name P  )
       ( resid 21  and name O5')
       ( resid 21  and name C5')
       ( resid 21  and name C4') 1.0 180.0  40.0  2

!C22
assign ( resid 22  and name P  )
       ( resid 22  and name O5')
       ( resid 22  and name C5')
       ( resid 22  and name C4') 1.0 180.0  40.0  2

!DISTANCE RESTRAINTS
! base-pairing constraints for the NRS stemloop
!
!
!        
!         
!    U12 G13
!  U11    U14  
!  U10 - A15
!   G9 * U16  
!   G8 - C17
!        U7            
!   G6 - C18  
!   A5 - U19 
!   G4 * U20 
!   G3 - C21 
!   G2 - C22 
!   G1 - C23 
!       5'        3'
! 
!
! *****************************************************************************
!
! hydrogen bond base pair constraints (from Varani)
! 
! *****************************************************************************
! 
! G1-C23
! 
assign ( resid 1 and name O6   ) ( resid 23 and name H42  ) 2.00 0.2 0.2
assign ( resid 1 and name O6   ) ( resid 23 and name N4   ) 2.90 0.3 0.3
assign ( resid 1 and name H1   ) ( resid 23 and name N3   ) 2.00 0.2 0.2
assign ( resid 1 and name N1   ) ( resid 23 and name N3   ) 2.90 0.3 0.3
assign ( resid 1 and name H22  ) ( resid 23 and name O2   ) 2.00 0.2 0.2
assign ( resid 1 and name N2   ) ( resid 23 and name O2   ) 2.90 0.3 0.3
! 
! G2-C22
! 
assign ( resid 2 and name O6   ) ( resid 22 and name H42  ) 2.00 0.2 0.2
assign ( resid 2 and name O6   ) ( resid 22 and name N4   ) 2.90 0.3 0.3
assign ( resid 2 and name H1   ) ( resid 22 and name N3   ) 2.00 0.2 0.2
assign ( resid 2 and name N1   ) ( resid 22 and name N3   ) 2.90 0.3 0.3
assign ( resid 2 and name H22  ) ( resid 22 and name O2   ) 2.00 0.2 0.2
assign ( resid 2 and name N2   ) ( resid 22 and name O2   ) 2.90 0.3 0.3
! 
! G3-C21 
! 
assign ( resid 3 and name O6   ) ( resid 21 and name H42  ) 2.00 0.2 0.2
assign ( resid 3 and name O6   ) ( resid 21 and name N4   ) 2.90 0.3 0.3
assign ( resid 3 and name H1   ) ( resid 21 and name N3   ) 2.00 0.2 0.2
assign ( resid 3 and name N1   ) ( resid 21 and name N3   ) 2.90 0.3 0.3
assign ( resid 3 and name H22  ) ( resid 21 and name O2   ) 2.00 0.2 0.2
assign ( resid 3 and name N2   ) ( resid 21 and name O2   ) 2.90 0.3 0.3
! 
! G4-U20 
! 
assign ( resid 4 and name O6   ) ( resid 20 and name H3   ) 2.00 0.2 0.2
assign ( resid 4 and name O6   ) ( resid 20 and name N3   ) 2.90 0.3 0.3
assign ( resid 4 and name H1   ) ( resid 20 and name O2   ) 2.00 0.2 0.2
assign ( resid 4 and name N1   ) ( resid 20 and name O2   ) 2.90 0.3 0.3
! 
! A5-U19
! 
assign ( resid 5 and name H61  ) ( resid 19 and name O4   ) 2.00 0.2 0.2
assign ( resid 5 and name N6   ) ( resid 19 and name O4   ) 2.90 0.3 0.3
assign ( resid 5 and name N1   ) ( resid 19 and name H3   ) 2.00 0.2 0.2
assign ( resid 5 and name N1   ) ( resid 19 and name N3   ) 2.90 0.3 0.3
! 
! G6-C18 
! 
assign ( resid 6 and name O6   ) ( resid 18 and name H42  ) 2.00 0.2 0.2
assign ( resid 6 and name O6   ) ( resid 18 and name N4   ) 2.90 0.3 0.3
assign ( resid 6 and name H1   ) ( resid 18 and name N3   ) 2.00 0.2 0.2
assign ( resid 6 and name N1   ) ( resid 18 and name N3   ) 2.90 0.3 0.3
assign ( resid 6 and name H22  ) ( resid 18 and name O2   ) 2.00 0.2 0.2
assign ( resid 6 and name N2   ) ( resid 18 and name O2   ) 2.90 0.3 0.3
!
! G8-C17
!
assign ( resid 8 and name O6   ) ( resid 17 and name H42  ) 2.00 0.2 0.2
assign ( resid 8 and name O6   ) ( resid 17 and name N4   ) 2.90 0.3 0.3
assign ( resid 8 and name H1   ) ( resid 17 and name N3   ) 2.00 0.2 0.2
assign ( resid 8 and name N1   ) ( resid 17 and name N3   ) 2.90 0.3 0.3
assign ( resid 8 and name H22  ) ( resid 17 and name O2   ) 2.00 0.2 0.2
assign ( resid 8 and name N2   ) ( resid 17 and name O2   ) 2.90 0.3 0.3
!
! G9-U16
!
assign ( resid 9 and name O6   ) ( resid 16 and name H3   ) 2.00 0.2 0.2
assign ( resid 9 and name O6   ) ( resid 16 and name N3   ) 2.90 0.3 0.3
assign ( resid 9 and name H1   ) ( resid 16 and name O2   ) 2.00 0.2 0.2
assign ( resid 9 and name N1   ) ( resid 16 and name O2   ) 2.90 0.3 0.3
! 
! U10-A15
! 
assign ( resid 10 and name O4   ) ( resid 15 and name H61  ) 2.00 0.2 0.2
assign ( resid 10 and name O4   ) ( resid 15 and name N6   ) 2.90 0.3 0.3
assign ( resid 10 and name H3   ) ( resid 15 and name N1   ) 2.00 0.2 0.2
assign ( resid 10 and name N3   ) ( resid 15 and name N1   ) 2.90 0.3 0.3
!from 3D hsqnoe 3rd 
assign (resid 14 and name H1') (resid 14 and name H5') 6 6 0 !   nrsnoes_1pr2sug.4
assign (resid 14 and name H1') (resid 14 and name H5'') 6 6 0 !   " "
assign (resid 9 and name H3') (resid 10 and name H5) 4 4 0 !   nrsnoes_1pr2sug.15 base2sug_hsqnoe3rd.239 s
assign (resid 9 and name H4') (resid 10 and name H5) 6 6 0 !      "  "
assign (resid 10 and name H2'') (resid 10 and name H5) 6 6 0 !   nrsnoes_1pr2sug.16
assign (resid 10 and name H4') (resid 10 and name H5) 7 7 0 !  " "
assign (resid 17 and name H3') (resid 18 and name H5) 6 6 0 !   nrsnoes_1pr2sug.17
assign (resid 18 and name H2'') (resid 18 and name H5) 7 7 0
assign (resid 17 and name H2'') (resid 18 and name H5) 5 5 0 !   nrsnoes_1pr2sug.18
assign (resid 18 and name H3') (resid 18 and name H5) 7 7 0 !   " "
assign (resid 17 and name H2'') (resid 17 and name H5) 6 6 0 !   nrsnoes_1pr2sug.24 base2sug_hsqnoe3rd.228 w
assign (resid 16 and name H4') (resid 17 and name H5) 7 7 0 !  " "
assign (resid 9 and name H2'') (resid 10 and name H5) 6 6 0 !   nrsnoes_1pr2sug.13
assign (resid 10 and name H3') (resid 10 and name H5) 6 6 0 !   nrsnoes_1pr2sug.14
assign (resid 12 and name H5') (resid 11 and name H1') 5 5 0 !   nrsnoes_1pr2sug.5 (3/6/03)
assign (resid 12 and name H5'') (resid 11 and name H1') 5 5 0 !  nrsnoes_1pr2sug.5 (3/6/03)
assign (resid 12 and name H2'') (resid 12 and name H5) 4 4 0 !   nrsnoes_1pr2sug.12 b2sugnoe3rd.235
!assign (resid 12 and name H4') (resid 12 and name H5) 6 6 0 !   base2sug_hsqnoe3rd.194 "!" 3/21/03
assign (resid 12 and name H5') (resid 12 and name H5) 6 6 0 !   nrsnoes_1pr2sug.27 (3/6/03)
assign (resid 12 and name H5'') (resid 12 and name H5) 6 6 0 !   nrsnoes_1pr2sug.27 (3/6/03)
assign (resid 13 and name H2'') (resid 12 and name H1') 5 5 0 !   nrsnoes_1pr2sug.9
assign (resid 13 and name H3') (resid 12 and name H1') 7 7 0 !   nrsnoes_1pr2sug.8
assign (resid 16 and name H2'') (resid 17 and name H5) 6 6 0 !   nrsnoes_1pr2sug.22
assign (resid 16 and name H3') (resid 17 and name H5) 6 6 0 !   nrsnoes_1pr2sug.25
assign (resid 17 and name H3') (resid 17 and name H5) 5 5 0 !   nrsnoes_1pr2sug.23 m (3/6/03)
assign (resid 17 and name H5') (resid 17 and name H5) 7 7 0 !   nrsnoes_1pr2sug.21
assign (resid 18 and name H5') (resid 18 and name H5) 7 7 0 !   nrsnoes_1pr2sug.20
!           3D dns300
assign (resid 13 and name H8) (resid 12 and name H1') 7 7 0 !   nrsnoes_b21pr.0 vw ovrlp
assign (resid 12 and name H6) (resid 12 and name H1') 4 4 0 !  "      " s ovrlp
assign (resid 20 and name H6) (resid 20 and name H1') 5 5 0 !   nrsnoes_b21pr.36 m? ovrlp
!or (resid 20 and name H6) (resid 19 and name H1')
assign (resid 1 and name H8) (resid 1 and name H1') 6 6 0 !   nrsnoes_b21pr.11 mw mw
assign (resid 2 and name H8) (resid 1 and name H1') 6 6 0 !   nrsnoes_b21pr.10 mw w
assign (resid 2 and name H8) (resid 2 and name H1') 6 6 0 !   nrsnoes_b21pr.26 mw w
assign (resid 3 and name H8) (resid 2 and name H1') 6 6 0 !   nrsnoes_b21pr.25 w vw
assign (resid 3 and name H8) (resid 3 and name H1') 6 6 0 !   nrsnoes_b21pr.13 m vw
assign (resid 4 and name H8) (resid 3 and name H1') 6 6 0 !   nrsnoes_b21pr.12 m w
assign (resid 4 and name H8) (resid 4 and name H1') 5 5 0 !   nrsnoes_b21pr.32 s m
assign (resid 5 and name H8) (resid 4 and name H1') 5 5 0 !   nrsnoes_b21pr.33 m ovr
assign (resid 5 and name H8) (resid 5 and name H1') 5 5 0 !   nrsnoes_b21pr.30 m m
assign (resid 5 and name H2) (resid 6 and name H1') 6 6 0 !   nrsnoes_b21pr.5 w ovr
assign (resid 6 and name H8) (resid 5 and name H1') 6 6 0 !   nrsnoes_b21pr.31 w w
assign (resid 6 and name H8) (resid 6 and name H1') 6 6 0 !   nrsnoes_b21pr.4 mw w
assign (resid 7 and name H6) (resid 7 and name H1') 5 5 0 !   nrsnoes_b21pr.9 m m
assign (resid 8 and name H8) (resid 8 and name H1') 5 5 0 !   nrsnoes_b21pr.17 ms m
assign (resid 9 and name H8) (resid 8 and name H1') 5 5 0 !   nrsnoes_b21pr.16 m m
assign (resid 9 and name H8) (resid 9 and name H1') 5 5 0 !   nrsnoes_b21pr.27 ms m
assign (resid 9 and name H8) (resid 10 and name H5) 6 6 0 !   nrsnoes_b21pr.54 vw w
assign (resid 10 and name H6) (resid 9 and name H1') 5 5 0 !   nrsnoes_b21pr.28 m mw
assign (resid 10 and name H1') (resid 10 and name H5) 7 7 0 !   nrsnoes_b21pr.63 vw vw
assign (resid 10 and name H6) (resid 10 and name H1') 5 5 0 !   nrsnoes_b21pr.18 ms ovr
assign (resid 10 and name H5) (resid 10 and name H1') 6 6 0 !       w
assign (resid 10 and name H5) (resid 11 and name H5) 6 6 0 !   nrsnoes_b21pr.61 w w
assign (resid 10 and name H6) (resid 11 and name H5) 6 6 0 !   nrsnoes_b21pr.58 w ovr
assign (resid 11 and name H6) (resid 10 and name H1') 6 6 0 !   nrsnoes_b21pr.19 wm ovr
assign (resid 11 and name H6) (resid 10 and name H5) 7 7 0 !   nrsnoes_b21pr.55 vw vw
assign (resid 11 and name H6) (resid 11 and name H1') 4 4 0 !   nrsnoes_b21pr.7 s s
assign (resid 12 and name H6) (resid 11 and name H1') 6 6 0 !   nrsnoes_b21pr.6 w m?
assign (resid 13 and name H8) (resid 13 and name H1') 4 4 0 !   nrsnoes_b21pr.3 s m?
!assign (resid 13 and name H8) (resid 12 and name H5) 5 5 0 !   nrsnoes_b21pr.66 wm ovr omit 7/7/03
!assign (resid 13 and name H1') (resid 12 and name H5 or 15 H1') 6 6 0 !
assign (resid 14 and name H6) (resid 14 and name H1') 5 5 0 !   nrsnoes_b21pr.1 m m
assign (resid 15 and name H2) (resid 10 and name H1') 7 7 0 !   nrsnoes_b21pr.21 vw ovr
assign (resid 15 and name H2) (resid 11 and name H1') 5 5 0 !   nrsnoes_b21pr.8 s m
assign (resid 15 and name H2) (resid 11 and name H5) 7 7 0 !   nrsnoes_b21pr.59 vw?? ovr 3/14/03
assign (resid 15 and name H8) (resid 14 and name H1') 5 5 0 !   nrsnoes_b21pr.2 m m
assign (resid 15 and name H2) (resid 15 and name H1') 6 6 0 !   nrsnoes_b21pr.20 vw w
assign (resid 15 and name H8) (resid 15 and name H1') 5 5 0 !   nrsnoes_b21pr.15 m m
assign (resid 15 and name H2) (resid 16 and name H1') 5 5 0 !   nrsnoes_b21pr.24 m m
assign (resid 15 and name H8) (resid 16 and name H5) 6 6 0 !   nrsnoes_b21pr.56 vw/w w
assign (resid 16 and name H6) (resid 15 and name H1') 6 6 0 !   nrsnoes_b21pr.14 w? w
assign (resid 16 and name H6) (resid 16 and name H1') 6 6 0 !   nrsnoes_b21pr.22 wm w
assign (resid 16 and name H6) (resid 17 and name H5) 7 7 0 !   nrsnoes_b21pr.51 vw vw
assign (resid 17 and name H6) (resid 16 and name H1') 6 6 0 !   nrsnoes_b21pr.23 wm w
assign (resid 17 and name H6) (resid 17 and name H1') 6 6 0 !   nrsnoes_b21pr.40 wm wm
assign (resid 17 and name H5) (resid 18 and name H5) 5 5 0 !   nrsnoes_b21pr.65 movr m
assign (resid 17 and name H6) (resid 18 and name H5) 6 6 0 !   nrsnoes_b21pr.52 w w?
assign (resid 18 and name H6) (resid 17 and name H1') 7 7 0 !   nrsnoes_b21pr.41 w vw
assign (resid 18 and name H6) (resid 18 and name H1') 6 6 0 !   nrsnoes_b21pr.42 w w
assign (resid 19 and name H6) (resid 18 and name H1') 5 5 0 !   nrsnoes_b21pr.43 ms m
assign (resid 19 and name H6) (resid 18 and name H5) 6 6 0 !   nrsnoes_b21pr.53 w w
assign (resid 19 and name H6) (resid 19 and name H1') 5 5 0 !   nrsnoes_b21pr.38 wm m
assign (resid 5 and name H2) (resid 20 and name H1') 4 4 0 !   nrsnoes_b21pr.34 s s
assign (resid 19 and name H5) (resid 20 and name H5) 6 6 0 !   nrsnoes_b21pr.60 wm wm
assign (resid 19 and name H6) (resid 20 and name H5) 7 7 0 !   nrsnoes_b21pr.57 vw vw
assign (resid 20 and name H5) (resid 21 and name H5) 6 6 0 !       w
assign (resid 20 and name H6) (resid 21 and name H5) 7 7 0 !   nrsnoes_b21pr.47 w? vw
assign (resid 21 and name H6) (resid 20 and name H1') 6 6 0 !   nrsnoes_b21pr.35 s(ovr) w
assign (resid 21 and name H6) (resid 21 and name H1') 5 5 0 !   nrsnoes_b21pr.39 m(ovr) m
assign (resid 21 and name H5) (resid 22 and name H5) 5 5 0 !   nrsnoes_b21pr.64 m m
assign (resid 21 and name H6) (resid 22 and name H5) 6 6 0 !   nrsnoes_b21pr.49 w ovr
assign (resid 21 and name H5) (resid 22 and name H6) 7 7 0 !       vw
assign (resid 22 and name H6) (resid 21 and name H1') 5 5 0 !   nrsnoes_b21pr.37 ms ovr
assign (resid 22 and name H6) (resid 22 and name H1') 5 5 0 !   nrsnoes_b21pr.45 m? m
assign (resid 23 and name H6) (resid 22 and name H1') 5 5 0 !   nrsnoes_b21pr.44 m m
assign (resid 23 and name H6) (resid 23 and name H1') 5 5 0 !   nrsnoes_b21pr.29 s m


!base to base region

assign (resid 4 and name H8) (resid 5 and name H8) 7 7 0 !       vw
assign (resid 5 and name H8) (resid 6 and name H8) 7 7 0 !      vw vw
assign (resid 6 and name H8) (resid 7 and name H6) 7 7 0 !       !vw  confirmar en otro NOESY 
assign (resid 9 and name H8) (resid 10 and name H6) 7 7 0 !      w w(ovr?)
assign (resid 10 and name H6) (resid 11 and name H6) 6 6 0 !      vw w  !puesto 2/14/03
assign (resid 12 and name H6) (resid 15 and name H2) 6 6 0 !      w w  !puesto 2/14/03
!assign (resid 14 and name H6) (resid 15 and name H8) 7 7 0 !      x vvw 2/26/03
assign (resid 15 and name H8) (resid 16 and name H6) 6 6 0 !      ? w
assign (resid 16 and name H6) (resid 17 and name H6) 6 6 0 !      ? w
assign (resid 18 and name H6) (resid 19 and name H6) 7 7 0 !      ? vw
assign (resid 19 and name H6) (resid 20 and name H6) 7 7 0 !      ? vw
assign (resid 21 and name H6) (resid 22 and name H6) 6 6 0 !      ? w
assign (resid 22 and name H6) (resid 23 and name H6) 6 6 0 !      ? w
!            3D 2d300
assign (resid 12 and name H6) (resid 12 and name H2'') 3 3 0 ! base2sug_hsqnoe3rd.66   vs  3/17/03
assign (resid 23 and name H6) (resid 22 and name H2'') 3 3 0 !     vs  3/17/03
assign (resid 17 and name H6) (resid 17 and name H2'') 5 5 0 !  base2sug_hsqnoe3rd.80   s
assign (resid 14 and name H6) (resid 14 and name H2'') 4 4 0 !         "            "  
assign (resid 12 and name H6) (resid 12 and name H5') 5 5 0 !  base2sug_hsqnoe3rd.141  s
assign (resid 12 and name H6) (resid 12 and name H5'') 5 5 0 ! "      "  
assign (resid 11 and name H6) (resid 12 and name H5') 7 7 0 !  base2sug_hsqnoe3rd.142  vw
assign (resid 11 and name H6) (resid 12 and name H5'') 7 7 0 !          "            "
assign (resid 15 and name H2) (resid 12 and name H5') 7 7 0 !  base2sug_hsqnoe3rd.143  vw
assign (resid 15 and name H2) (resid 12 and name H5'') 7 7 0 ! "      "
assign (resid 13 and name H8) (resid 12 and name H5') 7 7 0 !  base2sug_hsqnoe3rd.144  w
assign (resid 13 and name H8) (resid 12 and name H5'') 7 7 0 !         "            "
!assign (resid 8 and name H8) (resid 9 and name H5'') 6 6 0 !  base2sug_hsqnoe3rd.164    ? both, vw
!or (resid 10 and name H6) (resid 9 and name H5'')
assign (resid 17 and name H6) (resid 17 and name H5'') 5 5 0 ! base2sug_hsqnoe3rd.168  m
!or (resid 17 and name H6) (resid 16 and name H5'')    "      "  ?
assign (resid 22 and name H6) (resid 22 and name H5') 5 5 0 ! base2sug_hsqnoe3rd.180  m
!or (resid 22 and name H6) (resid 21 and name H5')    "      "  ?
assign (resid 22 and name H6) (resid 22 and name H5'') 5 5 0 ! base2sug_hsqnoe3rd.181  m
!or (resid 22 and name H6) (resid 21 and name H5'')    "      "  ?
assign (resid 1 and name H2'') (resid 1 and name H8) 6 6 0 !   base2sug_hsqnoe3rd.99  w wm
assign (resid 1 and name H8) (resid 1 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.102  w m
assign (resid 1 and name H8) (resid 1 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.15  vw ?
assign (resid 1 and name H8) (resid 1 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.151  w ?
assign (resid 1 and name H8) (resid 1 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.152  m ?
assign (resid 2 and name H8) (resid 1 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.98  ms m
assign (resid 2 and name H8) (resid 1 and name H3') 7 7 0 !   base2sug_hsqnoe3rd.103  w vw
assign (resid 2 and name H8) (resid 2 and name H3') 7 7 0 !   base2sug_hsqnoe3rd.116  w vw
assign (resid 2 and name H8) (resid 2 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.28  w w?
assign (resid 2 and name H8) (resid 2 and name H5') 7 7 0 !   base2sug_hsqnoe3rd.159  w vw?
assign (resid 2 and name H8) (resid 2 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.160  m vw?
assign (resid 3 and name H8) (resid 2 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.73  s s?
assign (resid 3 and name H8) (resid 2 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.117  m w
assign (resid 3 and name H8) (resid 2 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.29  w vw?
assign (resid 3 and name H8) (resid 3 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.56  w w
assign (resid 3 and name H8) (resid 3 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.114  m ms
assign (resid 3 and name H8) (resid 3 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.37  m m?
assign (resid 3 and name H8) (resid 3 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.169  wm
assign (resid 3 and name H8) (resid 3 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.170  wm w
assign (resid 4 and name H8) (resid 3 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.55  s s
assign (resid 4 and name H8) (resid 3 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.115  m m(ovr)
assign (resid 4 and name H8) (resid 3 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.38  w
!assign (resid 4 and name H8) (resid 3 and name H5'') 6 6 0 !  base2sug_hsqnoe3rd.171  ?
assign (resid 4 and name H8) (resid 4 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.97  w vw
assign (resid 4 and name H8) (resid 4 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.111  ms m(ovr)
assign (resid 4 and name H8) (resid 4 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.26  ms ms(ovr)
assign (resid 4 and name H8) (resid 4 and name H5'') 4 4 0 !   base2sug_hsqnoe3rd.153  s s
assign (resid 4 and name H8) (resid 4 and name H5'') 4 4 0 !   base2sug_hsqnoe3rd.154  ms ms(ovr)
assign (resid 5 and name H8) (resid 4 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.96  s ms
assign (resid 5 and name H8) (resid 4 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.110  m ovr
!assign (resid 5 and name H8) (resid 5 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.78  ?
assign (resid 5 and name H8) (resid 5 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.119  m ovr
assign (resid 5 and name H8) (resid 5 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.24  m ovr
assign (resid 5 and name H8) (resid 5 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.176  w ovr
assign (resid 5 and name H8) (resid 5 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.177  mw ovr
assign (resid 6 and name H8) (resid 5 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.77  s m
assign (resid 6 and name H8) (resid 5 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.118  m w
assign (resid 6 and name H8) (resid 5 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.25  vw vw(ovr?)
assign (resid 6 and name H8) (resid 6 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.46  s ms
assign (resid 6 and name H8) (resid 6 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.76  mw?(ovr) 3/25/03
assign (resid 6 and name H8) (resid 6 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.9  w wm?
assign (resid 6 and name H8) (resid 6 and name H5') 7 7 0 !   base2sug_hsqnoe3rd.158  vw
assign (resid 6 and name H8) (resid 6 and name H5'') 7 7 0 !   base2sug_hsqnoe3rd.157  w w
assign (resid 7 and name H6) (resid 6 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.49  m m
assign (resid 7 and name H6) (resid 7 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.62  m m
assign (resid 7 and name H6) (resid 7 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.74  s vs
assign (resid 7 and name H6) (resid 7 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.7  w w?(ovr)
assign (resid 7 and name H6) (resid 7 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.155  w m
assign (resid 7 and name H6) (resid 7 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.156  w w
assign (resid 8 and name H8) (resid 6 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.48  wm ovr
assign (resid 8 and name H8) (resid 7 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.61  w ovr
assign (resid 8 and name H8) (resid 7 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.75  mw w
assign (resid 8 and name H8) (resid 7 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.8  vw ovr
assign (resid 8 and name H8) (resid 8 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.95  m ovr
assign (resid 8 and name H8) (resid 8 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.101  m ovr
assign (resid 8 and name H8) (resid 8 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.16  wm ovr
assign (resid 8 and name H8) (resid 8 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.139  m ovr
assign (resid 8 and name H8) (resid 8 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.140  m ovr
!assign (resid 8 and name H8) (resid 9 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.163  ~?
!assign (resid 9 and name H8) (resid 6 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.47  vw?
assign (resid 9 and name H8) (resid 8 and name H2'') 3 3 0 !   base2sug_hsqnoe3rd.94  vs vs
assign (resid 9 and name H8) (resid 8 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.100  ms m(ovr)
assign (resid 9 and name H8) (resid 8 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.17  w vw
assign (resid 9 and name H8) (resid 9 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.91  m wm
assign (resid 9 and name H8) (resid 9 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.113  s s
assign (resid 9 and name H8) (resid 9 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.20  m m(ovr)
assign (resid 9 and name H8) (resid 9 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.161  m m?(ovr)
assign (resid 9 and name H8) (resid 9 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.162  ms (ovr)
assign (resid 10 and name H6) (resid 9 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.90  s (ovr)
assign (resid 10 and name H6) (resid 9 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.112  s (ovr)
assign (resid 10 and name H6) (resid 9 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.21  wm (ovr)
assign (resid 10 and name H6) (resid 10 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.59  s (ovr)
assign (resid 10 and name H6) (resid 10 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.107  s (ovr)
assign (resid 10 and name H6) (resid 10 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.13  m (ovr)
assign (resid 10 and name H6) (resid 10 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.173  ms (ovr)
assign (resid 10 and name H6) (resid 10 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.172  ms (ovr)
assign (resid 10 and name H6) (resid 11 and name H5') 7 7 0 !  base2sug_hsqnoe3rd.147  vw vw
assign (resid 10 and name H6) (resid 11 and name H5'') 7 7 0 !   base2sug_hsqnoe3rd.148  vw vw
assign (resid 11 and name H6) (resid 10 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.60  s ovr
assign (resid 11 and name H6) (resid 10 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.106  m ovr
assign (resid 11 and name H6) (resid 10 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.14  vw ovr
assign (resid 11 and name H6) (resid 11 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.84  s ovr
assign (resid 11 and name H6) (resid 11 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.53  s ovr
assign (resid 11 and name H6) (resid 11 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.4  m ovr
assign (resid 11 and name H6) (resid 11 and name H5') 4 4 0 !   base2sug_hsqnoe3rd.145  s ovr
assign (resid 11 and name H6) (resid 11 and name H5'') 4 4 0 !   base2sug_hsqnoe3rd.146  s ovr
assign (resid 12 and name H6) (resid 11 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.83  m m?
!assign (resid 12 and name H6) (resid 11 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.54  m ovr "!" x q' 12 6 y 13 8 ovrlp
assign (resid 12 and name H6) (resid 11 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.5  mw w?
assign (resid 12 and name H6) (resid 12 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.44  s ovr
assign (resid 12 and name H6) (resid 12 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.6  m m
assign (resid 13 and name H8) (resid 12 and name H4') 7 7 0 !   nrsnoes_b21pr.67  vw     2/26/03
!assign (resid 13 and name H8) (resid 12 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.45  ? 
assign (resid 13 and name H8) (resid 13 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.57  s s
assign (resid 13 and name H8) (resid 13 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.41  m s
assign (resid 13 and name H8) (resid 13 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.2  w w
assign (resid 13 and name H8) (resid 13 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.137  w w
assign (resid 13 and name H8) (resid 13 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.138  w ovr
!assign (resid 14 and name H6) (resid 11 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.87  ?
assign (resid 14 and name H6) (resid 13 and name H3') 7 7 0 !   base2sug_hsqnoe3rd.42  vw vw
assign (resid 14 and name H6) (resid 13 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.1  vw vw
assign (resid 14 and name H6) (resid 14 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.52  s s
assign (resid 14 and name H6) (resid 14 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.135  w ovr
assign (resid 14 and name H6) (resid 14 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.136  w ovr
assign (resid 15 and name H2) (resid 12 and name H2'') 7 7 0 !   base2sug_hsqnoe3rd.68  vw vw?
assign (resid 15 and name H8) (resid 13 and name H2'') 7 7 0 !   base2sug_hsqnoe3rd.58  vw vw
assign (resid 15 and name H8) (resid 13 and name H3') 7 7 0 !   base2sug_hsqnoe3rd.43  vw vw
assign (resid 15 and name H8) (resid 13 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.0  w w
assign (resid 15 and name H8) (resid 14 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.81  w wm
assign (resid 15 and name H8) (resid 14 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.51  s s
assign (resid 15 and name H8) (resid 14 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.3  wm wm
assign (resid 15 and name H8) (resid 14 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.133  w ovr
assign (resid 15 and name H8) (resid 14 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.134  w w
assign (resid 15 and name H8) (resid 15 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.71  m m
assign (resid 15 and name H8) (resid 15 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.104  w ovr
assign (resid 15 and name H8) (resid 15 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.11  m ovr
assign (resid 15 and name H8) (resid 15 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.149  m m
assign (resid 15 and name H8) (resid 15 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.150  m ovr
assign (resid 15 and name H2) (resid 16 and name H2'') 7 7 0 !   base2sug_hsqnoe3rd.65  vw vw
assign (resid 16 and name H6) (resid 15 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.72  vs s
assign (resid 16 and name H6) (resid 15 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.105  w ovr
assign (resid 16 and name H6) (resid 15 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.12  wm ovr
assign (resid 16 and name H6) (resid 16 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.64  mw mw
assign (resid 16 and name H6) (resid 16 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.109  s ovr
assign (resid 16 and name H6) (resid 16 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.18  m ovr
assign (resid 16 and name H6) (resid 16 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.165  w ovr
assign (resid 16 and name H6) (resid 16 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.166  w wm
assign (resid 17 and name H6) (resid 16 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.63  s ms
assign (resid 17 and name H6) (resid 16 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.108  m ovr
assign (resid 17 and name H6) (resid 16 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.19  vw
assign (resid 17 and name H6) (resid 17 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.120  s ovr
assign (resid 17 and name H6) (resid 17 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.30  m ovr
assign (resid 17 and name H6) (resid 17 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.167  m ovr
assign (resid 18 and name H6) (resid 17 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.79  s ovr
assign (resid 18 and name H6) (resid 17 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.121  ms ovr
assign (resid 18 and name H6) (resid 18 and name H2'') 7 7 0 !   base2sug_hsqnoe3rd.86  vw? ovr
assign (resid 18 and name H6) (resid 18 and name H3') 6 6 0 !   base2sug_hsqnoe3rd.130  w ovr
assign (resid 18 and name H6) (resid 18 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.32  w ovr
assign (resid 18 and name H6) (resid 18 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.187  w w
assign (resid 18 and name H6) (resid 18 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.186  w w
assign (resid 19 and name H6) (resid 18 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.85  vs s
assign (resid 19 and name H6) (resid 18 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.131  s(ovr)
assign (resid 19 and name H6) (resid 18 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.33  ms ms?
assign (resid 19 and name H6) (resid 19 and name H2'') 7 7 0 !   base2sug_hsqnoe3rd.93  vw vw
assign (resid 19 and name H6) (resid 19 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.128  s? s?
assign (resid 19 and name H6) (resid 19 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.34  s? s?
assign (resid 19 and name H6) (resid 19 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.184  s ms
assign (resid 19 and name H6) (resid 19 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.185  sm ms
assign (resid 20 and name H6) (resid 19 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.92  s ms
assign (resid 20 and name H6) (resid 19 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.129  wm m
assign (resid 20 and name H6) (resid 20 and name H2'') 6 6 0 !   base2sug_hsqnoe3rd.69  w vw?
assign (resid 20 and name H6) (resid 20 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.123  ms m(ovr)
assign (resid 20 and name H6) (resid 20 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.22  m m
assign (resid 20 and name H6) (resid 20 and name H5') 6 6 0 !   base2sug_hsqnoe3rd.182  m w?
assign (resid 20 and name H6) (resid 20 and name H5'') 6 6 0 !   base2sug_hsqnoe3rd.183  w? w?
assign (resid 21 and name H6) (resid 20 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.70  s ms
assign (resid 21 and name H6) (resid 20 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.122  m mw
assign (resid 21 and name H6) (resid 20 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.23  vw vw
assign (resid 21 and name H6) (resid 21 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.88  m m
assign (resid 21 and name H6) (resid 21 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.124  s s
assign (resid 21 and name H6) (resid 21 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.39  m m
assign (resid 21 and name H6) (resid 21 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.178  m wm
assign (resid 21 and name H6) (resid 21 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.179  m m
assign (resid 22 and name H6) (resid 21 and name H2'') 3 3 0 !   base2sug_hsqnoe3rd.89  s vs
assign (resid 22 and name H6) (resid 21 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.125  m? ovr
assign (resid 22 and name H6) (resid 21 and name H4') 6 6 0 !   base2sug_hsqnoe3rd.40  w? ovr
assign (resid 22 and name H6) (resid 22 and name H2'') 5 5 0 !   base2sug_hsqnoe3rd.67  m? m
assign (resid 22 and name H6) (resid 22 and name H3') 5 5 0 !   base2sug_hsqnoe3rd.127  m? ovr
assign (resid 22 and name H6) (resid 22 and name H4') 5 5 0 !   base2sug_hsqnoe3rd.35  m? ovr
assign (resid 23 and name H6) (resid 22 and name H3') 4 4 0 !   base2sug_hsqnoe3rd.126  s ovr
assign (resid 23 and name H6) (resid 22 and name H4') 7 7 0 !   base2sug_hsqnoe3rd.36  vw ovr
assign (resid 23 and name H6) (resid 23 and name H2'') 4 4 0 !   base2sug_hsqnoe3rd.50  s s
assign (resid 23 and name H6) (resid 23 and name H3') 3 3 0 !   base2sug_hsqnoe3rd.132  vs vs
assign (resid 23 and name H6) (resid 23 and name H4') 4 4 0 !   base2sug_hsqnoe3rd.10  s s
assign (resid 23 and name H6) (resid 23 and name H5') 5 5 0 !   base2sug_hsqnoe3rd.175  m ovr
assign (resid 23 and name H6) (resid 23 and name H5'') 5 5 0 !   base2sug_hsqnoe3rd.174  m m

!sugar to sugar noes
assign (resid 12 and name H4') (resid 13 and name H2'') 7 7 0 !  base2sug_hsqnoe3rd.193  vw 
assign (resid 12 and name H4') (resid 13 and name H5') 6 6 0 !  base2sug_hsqnoe3rd.191  w 
assign (resid 12 and name H4') (resid 13 and name H5'') 6 6 0 !  base2sug_hsqnoe3rd.191  w 

assign (resid 2 and name H1) (resid 3 and name H1) 6 6 0 !   hns.2
assign (resid 2 and name H1) (resid 3 and name H1') 5 5 0 !   hns.41
assign (resid 3 and name H1) (resid 4 and name H1) 7 7 0 !   hns.3
assign (resid 3 and name H1) (resid 4 and name H8) 6 6 0 !   hns.52
assign (resid 3 and name H1) (resid 21 and name H5) 6 6 0 !   hns.87
assign (resid 3 and name H1) (resid 22 and name H6) 6 6 0 !   hns.92
assign (resid 4 and name H1) (resid 5 and name H1') 5 5 0 !   hns.78
assign (resid 4 and name H1) (resid 5 and name H2) 5 5 0 !   hns.73
!assign (resid 6 and name H1) (resid 5 and name H1') 7 7 0 !   hns.28 quito 2/19/02, no concuerda H1' ppm
assign (resid 6 and name H1) (resid 5 and name H2) 5 5 0 !   hns.25 2/19/02
assign (resid 8 and name H1) (resid 17 and name H41) 5 5 0 !   hns.44
assign (resid 8 and name H1) (resid 17 and name H42) 5 5 0 !   hns.45
assign (resid 8 and name H1) (resid 17 and name H5) 7 7 0 !   hns.89 2/19/02
!assign (resid 8 and name H1) (resid 7 and name H5) 7 7 0 !   hns.88 2/19/02 alguno de estos dos, H5 y H1' degen.
!assign (resid 8 and name H1) (resid 8 and name H1') 7 7 0 !   hns.88 2/19/02
assign (resid 8 and name H1) (resid 18 and name H42) 7 7 0 !   hns.90 2/19/02
!assign (resid 8 and name H1) (resid 18 and name H1') 7 7 0 !   hns.95 2/19/02 "!" x q' no se 16H1' a 12c
assign (resid 6 and name H1) (resid 17 and name H42) 6 6 0 !   hns.91 2/19/02
assign (resid 6 and name H1) (resid 18 and name H41) 4 4 0 !   hns.22
assign (resid 6 and name H1) (resid 18 and name H42) 4 4 0 !   hns.26
assign (resid 6 and name H1) (resid 18 and name H5) 5 5 0 !   hns.30
assign (resid 6 and name H1) (resid 19 and name H6) 7 7 0 !   hns.95 2/19/02
!assign (resid 6 and name H1) (resid 7 and name H5) 6 6 0 !   hns.29 one of these two 
!assign (resid 6 and name H1) (resid 8 and name H1') 6 6 0 !   hns.29
assign (resid 19 and name H3) (resid 5 and name H2) 4 4 0 !   hns.8
assign (resid 19 and name H3) (resid 6 and name H1) 7 7 0 !   hns.0
assign (resid 19 and name H3) (resid 18 and name H41) 7 7 0 !   hns.7
assign (resid 19 and name H3) (resid 18 and name H42) 7 7 0 !   hns.12
assign (resid 3 and name H1) (resid 20 and name H3) 7 7 0 !   hns.6
assign (resid 20 and name H3) (resid 4 and name H1) 4 4 0 !   hns.5
assign (resid 20 and name H3) (resid 5 and name H2) 5 5 0 !   hns.65
assign (resid 19 and name H3) (resid 20 and name H3) 7 7 0 !   hns.1
assign (resid 3 and name H1) (resid 21 and name H42) 4 4 0 !   hns.53
assign (resid 3 and name H1) (resid 22 and name H42) 5 5 0 !   hns.93
assign (resid 4 and name H1) (resid 21 and name H41) 5 5 0 !   hns.71
assign (resid 4 and name H1) (resid 21 and name H42) 5 5 0 !   hns.74
assign (resid 4 and name H1) (resid 21 and name H5) 5 5 0 !   hns.80
assign (resid 4 and name H1) (resid 21 and name H6) 5 5 0 !   hns.72
assign (resid 20 and name H3) (resid 21 and name H41) 6 6 0 !   hns.63
assign (resid 20 and name H3) (resid 21 and name H42) 6 6 0 !   hns.66
assign (resid 20 and name H3) (resid 21 and name H5) 7 7 0 !   hns.68
assign (resid 20 and name H3) (resid 21 and name H6) 7 7 0 !   hns.64
assign (resid 2 and name H1) (resid 22 and name H41) 4 4 0 !   hns.32
assign (resid 2 and name H1) (resid 22 and name H42) 4 4 0 !   hns.38
assign (resid 2 and name H1) (resid 22 and name H6) 7 7 0 !   hns.34
assign (resid 2 and name H1) (resid 23 and name H1') 5 5 0 !   hns.42
assign (resid 2 and name H1) (resid 23 and name H41) 5 5 0 !   hns.33
assign (resid 2 and name H1) (resid 23 and name H42) 7 7 0 !   hns.37
assign (resid 2 and name H1) (resid 23 and name H6) 7 7 0 !   hns.35
!             3D

assign (resid 13 and name H2'') (resid 12 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.193 vw
assign (resid 11 and name H1') (resid 12 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.195  vw
assign (resid 12 and name H5) (resid 11 and name H4') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.196  w-m(s?)
assign (resid 12 and name H5') (resid 11 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.198  vw
assign (resid 13 and name H4') (resid 14 and name H3') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.200y201 m/s
assign (resid 12 and name H1') (resid 13 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.202  vw
!assign (resid 15 and name H1') (resid 13 and name H4') 6.000 6.0 0.0 !  base2sug_hsqnoe3rd.203 + prob q' G9 1' o 12 5 pero esperar m
assign (resid 14 and name H5) (resid 13 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.204  vw
assign (resid 14 and name H1') (resid 13 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.205  vw
!assign (resid 7 and name H4') (resid 6 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.206  m-s
!        o (resid 8 and name H5')
assign (resid 8 and name H4') (resid 7 and name H4') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.207  vw
!assign (resid 6 and name H2'') (resid 7 and name H1') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.209  w
!        o  (resid 5 and name H1')
!assign (resid 12 and name H3') (resid 12 and name H5) 6.000 6.0 0.0 !       w
!        o (resid 15 and name H1') 
assign (resid 13 and name H5') (resid 12 and name H3') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.211y212 w/m
assign (resid 13 and name H5'') (resid 12 and name H3') 6.000 6.0 0.0 !  base2sug_hsqnoe3rd.213y214 w/m
assign (resid 14 and name H1') (resid 13 and name H3') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.215  w-vw
!assign (resid 13 and name H3') (resid 12 and name H5) 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.216  vw
!        o (resid 15 and name H1') 
assign (resid 12 and name H1') (resid 13 and name H3') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.217  w
assign (resid 14 and name H5) (resid 14 and name H3') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.218  m
!assign (resid 14 and name H3') (resid 15 and name H1') 7.000 7.0 0.0 !  base2sug_hsqnoe3rd.219  vw
!        o (resid 12 and name H5)
assign (resid 15 and name H5') (resid 14 and name H3') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.220y221 vw
assign (resid 14 and name H3') (resid 15 and name H5'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.222 vw
!assign (resid 11 and name H3') (resid 15 and name H1') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.223 m-s
!        o (resid 12 and name H5) 
!        o (resid 11 and name H5) 
assign (resid 11 and name H3') (resid 12 and name H5') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.224  m
assign (resid 11 and name H3') (resid 12 and name H5'') 6.000 6.0 0.0 !  base2sug_hsqnoe3rd.224  m
!assign (resid 10 and name H2'') (resid 12 and name H5) 4.000 4.0 0.0 !  base2sug_hsqnoe3rd.224  s
!        o (resid 15 and name H1') 
!        o (resid 11 and name H5?)
assign (resid 11 and name H5') (resid 10 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.225 m
assign (resid 11 and name H5'') (resid 10 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.226 m
!assign (resid 17 o 14 and name H2'') (resid 9 o 15 and name H2''
!     o 12 H5) 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.227  w
!assign (resid 12 and name H1') (resid 14 and name H2'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.229 vw shoulder?
assign (resid 11 and name H5) (resid 11 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.230  s(ovr)
assign (resid 12 and name H5') (resid 11 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.231 s(ovr)
assign (resid 12 and name H5'') (resid 11 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.231 "
assign (resid 10 and name H1') (resid 9 and name H2'') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.232  w-m
assign (resid 10 and name H5'') (resid 9 and name H2'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.233 m
assign (resid 10 and name H5') (resid 9 and name H2'') 5.000 5.0 0.0 !       x analog
assign (resid 6 and name H1') (resid 5 and name H2'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.234  vw
assign (resid 11 and name H5) (resid 10 and name H3') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.252  m-s
assign (resid 11 and name H5') (resid 10 and name H3') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.236  w
assign (resid 11 and name H5'') (resid 10 and name H3') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.237 w
assign (resid 10 and name H1') (resid 9 and name H3') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.238  vw
assign (resid 14 and name H5) (resid 14 and name H5'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.241  vw
assign (resid 14 and name H5) (resid 14 and name H5') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.241  vw
assign (resid 14 and name H5) (resid 13 and name H5'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.242  vw
assign (resid 14 and name H5) (resid 13 and name H5') 7.000 7.0 0.0 !       vw (ovr)
assign (resid 15 and name H1') (resid 13 and name H5'') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.243 m
assign (resid 15 and name H1') (resid 13 and name H5') 5.000 5.0 0.0 !   base2sug_hsqnoe3rd.244  m
assign (resid 12 and name H1') (resid 13 and name H5'') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.245 w-m
assign (resid 12 and name H1') (resid 13 and name H5') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.246  w-m
assign (resid 7 and name H5) (resid 7 and name H5') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.247  vw
assign (resid 7 and name H5) (resid 7 and name H5'') 7.000 7.0 0.0 !       x analog
assign (resid 5 and name H1') (resid 6 and name H5'') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.248  vw
assign (resid 5 and name H1') (resid 6 and name H5') 7.000 7.0 0.0 !   base2sug_hsqnoe3rd.249  vw
!assign (resid 9 and name H5') (resid 8 and name H1') 7.000 7.0 0.0 !      vw 
!       o  (resid 7 and name H5) 7.000 7.0 0.0 !      vw
!assign (resid 9 and name H1') (resid 10 and name H5'') 6.000 6.0 0.0 !  base2sug_hsqnoe3rd.250  m include if strucs pred
!assign (resid 9 and name H1') (resid 10 and name H5') 6.000 6.0 0.0 !   base2sug_hsqnoe3rd.251  m include if strucs pred
!              o 12 h5?

!PLANARITY RESTRAINTS
restraints plane
 group
  select= ((resid 1 and (name n1 or name c6 or name c2)) or
              (resid 23 and (name n3)))
  weight=80.0
 end

group
  select= ((resid 2 and (name n1 or name c6 or name c2)) or
              (resid 22 and (name n3)))
  weight=50.0
 end

group
  select= ((resid 3 and (name n1 or name c6 or name c2)) or
              (resid 21 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 4 and (name n1 or name c6 or name c2)) or
              (resid 20 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 5 and (name n1 or name c6 or name c2)) or
              (resid 19 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 6 and (name n1 or name c6 or name c2)) or
              (resid 18 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 8 and (name n1 or name c6 or name c2)) or
              (resid 17 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 9 and (name n1 or name c6 or name c2)) or
              (resid 16 and (name n3)))
  weight=20.0
 end

group
  select= ((resid 15 and (name n1 or name c6 or name c2)) or
              (resid 10 and (name n3)))
  weight=20.0
 end


group
  select= ((resid 1 and (name n1)) or
              (resid 23 and (name n3 or name c2 or name c4)))
  weight=80.0
 end


group
  select= ((resid 2 and (name n1)) or
              (resid 22 and (name n3 or name c2 or name c4)))
  weight=50.0
 end


group
  select= ((resid 3 and (name n1)) or
              (resid 21 and (name n3 or name c2 or name c4)))
  weight=20.0
 end


group
  select= ((resid 4 and (name n1)) or
              (resid 20 and (name n3 or name c2 or name c4)))
  weight=20.0
 end


group
  select= ((resid 5 and (name n1)) or
              (resid 19 and (name n3 or name c2 or name c4)))
  weight=20.0
 end


group
  select= ((resid 6 and (name n1)) or
              (resid 18 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 8 and (name n1)) or
              (resid 17 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 9 and (name n1)) or
              (resid 16 and (name n3 or name c2 or name c4)))
  weight=20.0
 end

group
  select= ((resid 15 and (name n1)) or
              (resid 10 and (name n3 or name c2 or name c4)))
  weight=20.0
 end


!planarity for end base pairs
!group
!  select= ((resid 23 and (name n1 or name c6 or name c2)) or
!              (resid 1 and (name n3 or name c2 or name c4)))
!  weight=40.0
! end






end

! ORIENTATIONAL RESTRAINTS
!   Date: Wed Jul 23 2003
! D couplings for NRS C4-C5 pyrimidines

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   7  and name C4   )
       ( resid   7  and name C5   )    -0.922  0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C4   )
       ( resid  10  and name C5   )    0.1680   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C4   )
       ( resid  11  and name C5   )   0.422   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C4   )
       ( resid  12  and name C5   )   -0.308   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C4   )
       ( resid  14  and name C5   )   0.4530   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  16  and name C4   )
       ( resid  16  and name C5   )   0.4400   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C4   )
       ( resid  17  and name C5   )   0.7110   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  18  and name C4   )
       ( resid  18  and name C5   )    1.9870   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  21  and name C4   )
       ( resid  21  and name C5   )    2.5180   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  22  and name C4   )
       ( resid  22  and name C5   )    0.4160   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C4   )
       ( resid  23  and name C5   )    -0.290   0.6000

!   Date: Wed Jul 23 2003
! D couplings for NRS C5-C6

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C5   )
       ( resid  10  and name C6   )    2.332  0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C5   )
       ( resid  11  and name C6   )    0.220   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C5   )
       ( resid  12  and name C6   )   0.225   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C5   )
       ( resid  17  and name C6   )   2.827   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  18  and name C5   )
       ( resid  18  and name C6   )   3.004   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  19  and name C5   )
       ( resid  19  and name C6   )   0.331   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C5   )
       ( resid  20  and name C6   )   0.885   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  21  and name C5   )
       ( resid  21  and name C6   )    0.717   0.6000 

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  22  and name C5   )
       ( resid  22  and name C6   )    1.423   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C5   )
       ( resid  23  and name C6   )    1.754   0.6000
!   Date: Wed Jul 23 2003
! D couplings for NRS C2'-C3', C3'-C4'

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   1  and name C2'   )
       ( resid   1  and name C3'   )    -2.230  0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   3  and name C2'   )
       ( resid   3  and name C3'   )    -1.554   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   6  and name C2'   )
       ( resid   6  and name C3'   )   0.365   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name C2'   )
       ( resid   9  and name C3'   )   0.118   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C2'   )
       ( resid  10  and name C3'   )   0.177   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C2'   )
       ( resid  11  and name C3'   )   0.192   0.6000 !average

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C2'   )
       ( resid  12  and name C3'   )   -0.244   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C2'   )
       ( resid  13  and name C3'   )    0.2570   0.6000 !average

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C2'   )
       ( resid  14  and name C3'   )    -0.596   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C2'   )
       ( resid  23  and name C3'   )    0.217   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C3'   )
       ( resid  11  and name C4'   )    0.315   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C3'   )
       ( resid  12  and name C4'   )    -0.043   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C3'   )
       ( resid  13  and name C4'   )    -0.511   0.6000
!base CH dipolar couplings including the loop ones
assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   1  and name C8    )
       ( resid   1  and name H8    )    4.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   3  and name C8    )
       ( resid   3  and name H8    )    5.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name C8    )
       ( resid   4  and name H8    )    16.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   5  and name C8    )
       ( resid   5  and name H8    )   27.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   8  and name C8    )
       ( resid   8  and name H8    )   10.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name C8    )
       ( resid   9  and name H8    )    4.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C6    )
       ( resid  10  and name H6    )    0.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C6    )
       ( resid  11  and name H6    )    3.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C6    )
       ( resid  12  and name H6    )    2.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C8    )
       ( resid  13  and name H8    )    11.200   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C6    )
       ( resid  14  and name H6    )     5.600   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  15  and name C8    )
       ( resid  15  and name H8    )   17.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C6    )
       ( resid  20  and name H6    )    12.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  21  and name C6    )
       ( resid  21  and name H6    )    8.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C6    )
       ( resid  23  and name H6    )   -8.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   5  and name C2    )
       ( resid   5  and name H2    )   15.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  15  and name C2    )
       ( resid  15  and name H2    )   19.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C5    )
       ( resid  10  and name H5    )   0.0450   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C5    )
       ( resid  14  and name H5    )   -5.8500   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C5    )
       ( resid  17  and name H5    )   6.6170   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  18  and name C5    )
       ( resid  18  and name H5    )   -1.1390   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  21  and name C5    )
       ( resid  21  and name H5    )   25.266   0.6000
!   Date: Mon Jun 16 2003
! D couplings for NRS 

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   2  and name C1'   )
       ( resid   2  and name H1'   )    -28.80   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   3  and name C1'   )
       ( resid   3  and name H1'   )  -23.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name C1'   )
       ( resid   4  and name H1'   )  -25.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   5  and name C1'   )
       ( resid   5  and name H1'   )  -7.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   6  and name C1'   )
       ( resid   6  and name H1'   )   10.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   7  and name C1'   )
       ( resid   7  and name H1'   )  3.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   8  and name C1'   )
       ( resid   8  and name H1'   )  -1.600   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name C1'   )
       ( resid   9  and name H1'   )    0.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C1'   )
       ( resid  10  and name H1'   )   -4.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C1'   )
       ( resid  11  and name H1'   )   -4.000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C1'   )
       ( resid  12  and name H1'   )    3.200   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C1'   )
       ( resid  13  and name H1'   )    1.866   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C1'   )
       ( resid  14  and name H1'   )   -7.466   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C1'   )
       ( resid  17  and name H1'   )   -20.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  19  and name C1'   )
       ( resid  19  and name H1'   )    -10.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C1'   )
       ( resid  20  and name H1'   )    6.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  22  and name C1'   )
       ( resid  22  and name H1'   )    7.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C1'   )
       ( resid  23  and name H1'   )   4.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   2  and name C2'   )
       ( resid   2  and name H2''  )   0.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name C2'   )
       ( resid   4  and name H2''  )   7.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   5  and name C2'   )
       ( resid   5  and name H2''  )    0.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   6  and name C2'   )
       ( resid   6  and name H2''  )   4.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name C2'   )
       ( resid   9  and name H2''  )    0.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C2'   )
       ( resid  10  and name H2''  )   12.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C2'   )
       ( resid  11  and name H2''  )    6.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C2'   )
       ( resid  12  and name H2''  )    0.2660   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C2'   )
       ( resid  13  and name H2''  )   -8.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C2'   )
       ( resid  14  and name H2''  )   -8.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C2'   )
       ( resid  17  and name H2'   )   -2.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C2'   )
       ( resid  20  and name H2''  )    0.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  21  and name C2'   )
       ( resid  21  and name H2''  )    0.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  22  and name C2'   )
       ( resid  22  and name H2''  )    1.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C2'   )
       ( resid  23  and name H2''  )    16.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name C3'   )
       ( resid   4  and name H3'   )    4.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   5  and name C3'   )
       ( resid   5  and name H3'   )   -7.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name C3'   )
       ( resid   9  and name H3'   )   19.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C3'   )
       ( resid  10  and name H3'   )   13.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C3'   )
       ( resid  11  and name H3'   )    0.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C3'   )
       ( resid  12  and name H3'   )   -6.1330   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C3'   )
       ( resid  13  and name H3'   )    0.4800   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C3'   )
       ( resid  14  and name H3'   )    7.2000   0.6000


assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  17  and name C3'   )
       ( resid  17  and name H3'   )    5.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C3'   )
       ( resid  20  and name H3'   )    2.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  23  and name C3'   )
       ( resid  23  and name H3'   )    16.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name C4'   )
       ( resid   4  and name H4'   )   13.6000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   7  and name C4'   )
       ( resid   7  and name H4'   )    2.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  10  and name C4'   )
       ( resid  10  and name H4'   )   20.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  11  and name C4'   )
       ( resid  11  and name H4'   )    0.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  12  and name C4'   )
       ( resid  12  and name H4'   )   -4.4000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  13  and name C4'   )
       ( resid  13  and name H4'   )    0.6400   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  14  and name C4'   )
       ( resid  14  and name H4'   )    1.2000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name C4'   )
       ( resid  20  and name H4'   )   8.8000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  22  and name C4'   )
       ( resid  22  and name H4'   )   18.4000   0.6000

!   Date: Tue Jul 8 2003
! D couplings for NRS 

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   2  and name N1   )
       ( resid   2  and name H1   )    1.337   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   3  and name N1   )
       ( resid   3  and name H1   )   5.4100   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   4  and name N1   )
       ( resid   4  and name H1   )   8.8750   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   6  and name N1   )
       ( resid   6  and name H1   )    8.5100   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   8  and name N1   )
       ( resid   8  and name H1   )  3.220   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid   9  and name N1   )
       ( resid   9  and name H1   )    2.0000   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  19  and name N3   )
       ( resid  19  and name H3   )   11.310   0.6000

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid  20  and name N3   )
       ( resid  20  and name H3   )    9.179   0.6000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G 907          1H5*        G 907  -1.112  20.465  18.538
    2   2H5*    G 907          2H5*        G 907  -1.527  19.182  17.383
    3    H4*    G 907           H4*        G 907  -0.064  20.802  16.319
    4    H3*    G 907           H3*        G 907   1.357  18.179  16.902
    5    H2*    G 907           H2*        G 907   3.239  19.093  15.788
    6   2HO*    G 907          2HO*        G 907   1.417  20.349  14.348
    7    H1*    G 907           H1*        G 907   3.022  21.621  16.873
    8    H8     G 907           H8         G 907   2.239  19.284  19.686
    9    H1     G 907           H1         G 907   8.503  19.472  18.371
   10   1H2     G 907          1H2         G 907   7.541  21.147  15.473
   11   2H2     G 907          2H2         G 907   8.847  20.501  16.439
   12    H5T    G 907           H5T        G 907   0.097  19.100  19.661
   13   1H5*    G 908          1H5*        G 908   2.225  19.183  13.165
   14   2H5*    G 908          2H5*        G 908   2.095  17.888  11.959
   15    H4*    G 908           H4*        G 908   4.294  18.909  11.829
   16    H3*    G 908           H3*        G 908   4.400  16.094  12.963
   17    H2*    G 908           H2*        G 908   6.741  16.347  12.991
   18   2HO*    G 908          2HO*        G 908   6.194  18.059  10.895
   19    H1*    G 908           H1*        G 908   6.795  19.068  13.656
   20    H8     G 908           H8         G 908   4.420  17.202  15.943
   21    H1     G 908           H1         G 908  10.576  16.530  17.587
   22   1H2     G 908          1H2         G 908  11.239  18.023  14.507
   23   2H2     G 908          2H2         G 908  11.883  17.322  15.974
   24   1H5*    G 909          1H5*        G 909   6.386  12.728  10.578
   25   2H5*    G 909          2H5*        G 909   6.243  13.503  12.170
   26    H4*    G 909           H4*        G 909   8.665  13.907  10.404
   27    H3*    G 909           H3*        G 909   8.148  11.555  12.224
   28    H2*    G 909           H2*        G 909  10.255  11.777  13.210
   29   2HO*    G 909          2HO*        G 909  11.845  12.009  11.869
   30    H1*    G 909           H1*        G 909  10.554  14.542  13.058
   31    H8     G 909           H8         G 909   7.161  14.102  14.497
   32    H1     G 909           H1         G 909  11.751  12.696  18.737
   33   1H2     G 909          1H2         G 909  13.874  12.708  15.974
   34   2H2     G 909          2H2         G 909  13.703  12.489  17.701
   35   1H5*    G 910          1H5*        G 910  10.360   7.632  11.696
   36   2H5*    G 910          2H5*        G 910   9.685   8.817  12.830
   37    H4*    G 910           H4*        G 910  12.656   8.504  12.318
   38    H3*    G 910           H3*        G 910  10.875   7.183  14.428
   39    H2*    G 910           H2*        G 910  12.719   7.335  15.931
   40   2HO*    G 910          2HO*        G 910  14.161   7.103  13.717
   41    H1*    G 910           H1*        G 910  13.423   9.890  15.233
   42    H8     G 910           H8         G 910   9.738  10.147  15.133
   43    H1     G 910           H1         G 910  11.846   9.407  21.140
   44   1H2     G 910          1H2         G 910  14.880   8.567  19.644
   45   2H2     G 910          2H2         G 910  13.980   8.793  21.125
   46   1H5*    A 911          1H5*        A 911  14.090   5.244  15.033
   47   2H5*    A 911          2H5*        A 911  13.906   3.480  15.001
   48    H4*    A 911           H4*        A 911  14.929   4.129  17.089
   49    H3*    A 911           H3*        A 911  12.042   3.237  17.365
   50    H2*    A 911           H2*        A 911  12.298   3.467  19.702
   51   2HO*    A 911          2HO*        A 911  15.009   4.067  19.693
   52    H1*    A 911           H1*        A 911  13.846   5.771  19.646
   53    H8     A 911           H8         A 911  11.022   6.070  17.134
   54   1H6     A 911          1H6         A 911   7.419   7.831  21.829
   55   2H6     A 911          2H6         A 911   7.539   7.659  20.093
   56    H2     A 911           H2         A 911  11.322   6.408  23.547
   57   1H5*    G 912          1H5*        G 912  14.034   1.337  20.146
   58   2H5*    G 912          2H5*        G 912  13.945  -0.432  20.035
   59    H4*    G 912           H4*        G 912  13.461   0.242  22.305
   60    H3*    G 912           H3*        G 912  11.286  -1.008  20.706
   61    H2*    G 912           H2*        G 912   9.526   0.009  21.757
   62   2HO*    G 912          2HO*        G 912  10.993  -0.763  24.053
   63    H1*    G 912           H1*        G 912  11.046   1.715  23.594
   64    H8     G 912           H8         G 912  10.258   2.488  19.887
   65    H1     G 912           H1         G 912   6.451   5.371  24.155
   66   1H2     G 912          1H2         G 912   8.150   3.420  26.500
   67   2H2     G 912          2H2         G 912   6.907   4.612  26.203
   68   1H5*    U 913          1H5*        U 913  12.224  -1.701  25.145
   69   2H5*    U 913          2H5*        U 913  11.958  -3.385  25.634
   70    H4*    U 913           H4*        U 913  11.436  -1.914  27.487
   71    H3*    U 913           H3*        U 913   9.168  -3.476  26.237
   72    H2*    U 913           H2*        U 913   7.487  -2.208  27.187
   73   2HO*    U 913          2HO*        U 913   9.297  -2.097  29.281
   74    H1*    U 913           H1*        U 913   8.769   0.234  27.600
   75    H3     U 913           H3         U 913   6.183   2.183  24.547
   76    H5     U 913           H5         U 913   7.204  -1.454  22.673
   77    H6     U 913           H6         U 913   8.477  -2.039  24.656
   78   1H5*    G 914          1H5*        G 914   5.934  -5.137  28.990
   79   2H5*    G 914          2H5*        G 914   6.351  -4.056  27.642
   80    H4*    G 914           H4*        G 914   5.420  -3.108  30.373
   81    H3*    G 914           H3*        G 914   3.749  -3.506  27.834
   82    H2*    G 914           H2*        G 914   2.513  -1.609  28.546
   83   2HO*    G 914          2HO*        G 914   3.788  -1.511  31.055
   84    H1*    G 914           H1*        G 914   4.677  -0.204  29.601
   85    H8     G 914           H8         G 914   5.679  -1.506  26.209
   86    H1     G 914           H1         G 914   1.878   3.644  25.945
   87   1H2     G 914          1H2         G 914   1.410   3.073  29.354
   88   2H2     G 914          2H2         G 914   1.036   4.063  27.963
   89   1H5*    G 915          1H5*        G 915   1.161  -2.906  30.979
   90   2H5*    G 915          2H5*        G 915  -0.181  -4.069  30.982
   91    H4*    G 915           H4*        G 915  -1.083  -1.849  31.218
   92    H3*    G 915           H3*        G 915  -1.559  -2.837  28.372
   93    H2*    G 915           H2*        G 915  -2.928  -0.902  28.165
   94   2HO*    G 915          2HO*        G 915  -3.526   0.334  29.981
   95    H1*    G 915           H1*        G 915  -1.183   0.755  29.571
   96    H8     G 915           H8         G 915   0.793  -1.441  27.197
   97    H1     G 915           H1         G 915  -2.069   3.495  24.283
   98   1H2     G 915          1H2         G 915  -3.688   3.958  27.334
   99   2H2     G 915          2H2         G 915  -3.464   4.502  25.688
  100   1H5*    U 916          1H5*        U 916  -5.090  -1.761  29.823
  101   2H5*    U 916          2H5*        U 916  -6.424  -2.874  29.466
  102    H4*    U 916           H4*        U 916  -6.979  -0.632  28.702
  103    H3*    U 916           H3*        U 916  -6.478  -2.544  26.373
  104    H2*    U 916           H2*        U 916  -6.932  -0.757  24.897
  105   2HO*    U 916          2HO*        U 916  -7.996   0.737  27.073
  106    H1*    U 916           H1*        U 916  -5.801   1.265  26.446
  107    H3     U 916           H3         U 916  -3.272   1.125  22.661
  108    H5     U 916           H5         U 916  -1.982  -2.184  24.934
  109    H6     U 916           H6         U 916  -3.799  -1.745  26.482
  110   1H5*    U 917          1H5*        U 917  -9.749   0.349  26.573
  111   2H5*    U 917          2H5*        U 917 -11.255  -0.559  26.327
  112    H4*    U 917           H4*        U 917 -11.997   0.957  24.862
  113    H3*    U 917           H3*        U 917 -10.079  -0.089  23.133
  114    H2*    U 917           H2*        U 917  -8.342   1.405  23.686
  115   2HO*    U 917          2HO*        U 917  -8.278   2.217  21.751
  116    H1*    U 917           H1*        U 917 -10.205   3.742  23.977
  117    H3     U 917           H3         U 917  -7.759   5.931  27.178
  118    H5     U 917           H5         U 917  -5.241   2.903  25.671
  119    H6     U 917           H6         U 917  -7.158   1.987  24.499
  120   1H5*    U 918          1H5*        U 918  -9.897   2.452  20.443
  121   2H5*    U 918          2H5*        U 918 -11.059   2.174  19.129
  122    H4*    U 918           H4*        U 918  -8.950   2.374  18.049
  123    H3*    U 918           H3*        U 918 -10.294   0.119  17.628
  124    H2*    U 918           H2*        U 918  -9.039  -1.282  19.074
  125   2HO*    U 918          2HO*        U 918  -8.461  -2.383  17.345
  126    H1*    U 918           H1*        U 918  -6.466   0.169  18.455
  127    H3     U 918           H3         U 918  -4.136  -1.377  21.873
  128    H5     U 918           H5         U 918  -8.100  -1.776  23.259
  129    H6     U 918           H6         U 918  -8.854  -0.780  21.171
  130   1H5*    G 919          1H5*        G 919  -6.030   0.474  15.958
  131   2H5*    G 919          2H5*        G 919  -6.050   0.196  14.205
  132    H4*    G 919           H4*        G 919  -3.986  -0.658  14.707
  133    H3*    G 919           H3*        G 919  -5.792  -2.529  14.143
  134    H2*    G 919           H2*        G 919  -5.729  -3.721  16.140
  135   2HO*    G 919          2HO*        G 919  -3.209  -4.265  14.968
  136    H1*    G 919           H1*        G 919  -2.997  -2.751  16.916
  137    H8     G 919           H8         G 919  -6.709  -2.562  18.120
  138    H1     G 919           H1         G 919  -2.484  -4.521  22.514
  139   1H2     G 919          1H2         G 919  -0.431  -4.438  21.693
  140   2H2     G 919          2H2         G 919  -0.090  -3.910  20.061
  141   1H5*    U 920          1H5*        U 920  -1.421  -1.120  11.428
  142   2H5*    U 920          2H5*        U 920  -0.467  -0.223  12.623
  143    H4*    U 920           H4*        U 920  -0.955   1.314  10.872
  144    H3*    U 920           H3*        U 920  -1.863   1.818  13.465
  145    H2*    U 920           H2*        U 920  -4.132   1.375  13.148
  146   2HO*    U 920          2HO*        U 920  -5.152   3.394  12.247
  147    H1*    U 920           H1*        U 920  -4.113   2.435  10.336
  148    H3     U 920           H3         U 920  -8.003   0.599   9.203
  149    H5     U 920           H5         U 920  -6.833  -1.710  12.530
  150    H6     U 920           H6         U 920  -4.759  -0.453  12.591
  151   1H5*    A 921          1H5*        A 921  -3.758   4.909  12.815
  152   2H5*    A 921          2H5*        A 921  -3.005   6.436  13.316
  153    H4*    A 921           H4*        A 921  -5.211   6.181  14.341
  154    H3*    A 921           H3*        A 921  -2.853   5.976  16.299
  155    H2*    A 921           H2*        A 921  -4.456   5.808  18.058
  156   2HO*    A 921          2HO*        A 921  -6.468   6.407  16.129
  157    H1*    A 921           H1*        A 921  -6.069   4.015  16.812
  158    H8     A 921           H8         A 921  -2.576   3.160  15.672
  159   1H6     A 921          1H6         A 921  -1.841   0.188  21.040
  160   2H6     A 921          2H6         A 921  -1.161   0.479  19.455
  161    H2     A 921           H2         A 921  -5.660   2.540  21.273
  162   1H5*    U 922          1H5*        U 922  -5.248   8.505  18.126
  163   2H5*    U 922          2H5*        U 922  -4.448   9.946  18.782
  164    H4*    U 922           H4*        U 922  -5.636   8.802  20.557
  165    H3*    U 922           H3*        U 922  -2.614   8.561  20.803
  166    H2*    U 922           H2*        U 922  -2.994   7.446  22.877
  167   2HO*    U 922          2HO*        U 922  -5.781   7.934  22.647
  168    H1*    U 922           H1*        U 922  -4.965   5.810  21.967
  169    H3     U 922           H3         U 922  -1.185   3.263  22.264
  170    H5     U 922           H5         U 922  -0.843   5.279  18.578
  171    H6     U 922           H6         U 922  -2.811   6.569  19.176
  172   1H5*    C 923          1H5*        C 923  -4.009   9.623  24.323
  173   2H5*    C 923          2H5*        C 923  -3.095  10.872  25.190
  174    H4*    C 923           H4*        C 923  -3.347   8.867  26.564
  175    H3*    C 923           H3*        C 923  -0.465   9.338  25.630
  176    H2*    C 923           H2*        C 923   0.105   7.523  27.057
  177   2HO*    C 923          2HO*        C 923  -1.681   6.614  28.411
  178    H1*    C 923           H1*        C 923  -2.076   5.950  26.415
  179   1H4     C 923          1H4         C 923   2.413   5.227  21.586
  180   2H4     C 923          2H4         C 923   2.749   3.949  22.732
  181    H5     C 923           H5         C 923   0.745   6.923  21.951
  182    H6     C 923           H6         C 923  -0.948   7.782  23.503
  183   1H5*    C 924          1H5*        C 924   0.001   8.676  29.397
  184   2H5*    C 924          2H5*        C 924   0.951   9.908  30.251
  185    H4*    C 924           H4*        C 924   1.960   7.744  30.630
  186    H3*    C 924           H3*        C 924   3.614   9.407  28.677
  187    H2*    C 924           H2*        C 924   5.220   7.650  28.780
  188   2HO*    C 924          2HO*        C 924   4.878   5.888  30.302
  189    H1*    C 924           H1*        C 924   3.383   5.605  28.648
  190   1H4     C 924          1H4         C 924   4.087   7.973  22.499
  191   2H4     C 924          2H4         C 924   5.260   6.684  22.644
  192    H5     C 924           H5         C 924   2.717   8.722  24.335
  193    H6     C 924           H6         C 924   2.184   8.405  26.707
  194   1H5*    U 925          1H5*        U 925   6.179   8.192  31.473
  195   2H5*    U 925          2H5*        U 925   7.369   9.410  31.972
  196    H4*    U 925           H4*        U 925   8.514   7.429  31.156
  197    H3*    U 925           H3*        U 925   8.708   9.763  29.173
  198    H2*    U 925           H2*        U 925  10.237   8.377  27.974
  199   2HO*    U 925          2HO*        U 925  10.308   6.184  29.566
  200    H1*    U 925           H1*        U 925   8.780   6.055  28.299
  201    H3     U 925           H3         U 925   8.543   7.174  23.884
  202    H5     U 925           H5         U 925   5.700   9.646  25.776
  203    H6     U 925           H6         U 925   6.529   8.850  27.916
  204   1H5*    U 926          1H5*        U 926  12.482   8.614  29.631
  205   2H5*    U 926          2H5*        U 926  13.618   9.946  29.908
  206    H4*    U 926           H4*        U 926  14.397   8.650  28.031
  207    H3*    U 926           H3*        U 926  13.308  11.364  27.041
  208    H2*    U 926           H2*        U 926  13.922  10.649  24.870
  209   2HO*    U 926          2HO*        U 926  15.130   8.507  24.780
  210    H1*    U 926           H1*        U 926  13.129   8.030  25.092
  211    H3     U 926           H3         U 926  10.132   9.928  22.237
  212    H5     U 926           H5         U 926   8.872  11.148  26.070
  213    H6     U 926           H6         U 926  10.901  10.171  26.976
  214   1H5*    C 927          1H5*        C 927  17.121  10.900  25.358
  215   2H5*    C 927          2H5*        C 927  18.066  12.397  25.486
  216    H4*    C 927           H4*        C 927  18.027  11.695  23.173
  217    H3*    C 927           H3*        C 927  16.141  14.053  23.577
  218    H2*    C 927           H2*        C 927  15.924  14.069  21.203
  219   2HO*    C 927          2HO*        C 927  17.377  12.249  20.172
  220    H1*    C 927           H1*        C 927  15.798  11.305  20.978
  221   1H4     C 927          1H4         C 927   9.789  13.541  22.701
  222   2H4     C 927          2H4         C 927   9.783  13.470  20.953
  223    H5     C 927           H5         C 927  11.738  13.058  24.035
  224    H6     C 927           H6         C 927  14.108  12.425  23.980
  225   1H5*    C 928          1H5*        C 928  18.731  14.954  20.547
  226   2H5*    C 928          2H5*        C 928  19.339  16.619  20.598
  227    H4*    C 928           H4*        C 928  18.474  16.174  18.393
  228    H3*    C 928           H3*        C 928  16.528  18.025  19.881
  229    H2*    C 928           H2*        C 928  15.436  18.164  17.754
  230   2HO*    C 928          2HO*        C 928  16.696  16.688  16.075
  231    H1*    C 928           H1*        C 928  15.579  15.483  17.208
  232   1H4     C 928          1H4         C 928  10.752  16.404  21.670
  233   2H4     C 928          2H4         C 928   9.971  16.493  20.108
  234    H5     C 928           H5         C 928  13.130  16.140  21.944
  235    H6     C 928           H6         C 928  15.281  15.962  20.782
  236   1H5*    C 929          1H5*        C 929  17.328  19.779  16.396
  237   2H5*    C 929          2H5*        C 929  17.703  21.509  16.515
  238    H4*    C 929           H4*        C 929  15.939  21.162  14.881
  239    H3*    C 929           H3*        C 929  14.911  22.405  17.457
  240    H2*    C 929           H2*        C 929  12.801  22.587  16.431
  241   2HO*    C 929          2HO*        C 929  13.553  23.484  14.450
  242    H1*    C 929           H1*        C 929  12.970  20.180  15.009
  243   1H4     C 929          1H4         C 929  10.603  18.894  21.076
  244   2H4     C 929          2H4         C 929   9.206  19.006  20.030
  245    H5     C 929           H5         C 929  12.854  19.315  20.319
  246    H6     C 929           H6         C 929  14.245  19.976  18.409
  247    H3T    C 929           H3T        C 929  16.426  23.305  15.550
  Start of MODEL    2
    1   1H5*    G 907          1H5*        G 907  -0.465  21.457  17.400
    2   2H5*    G 907          2H5*        G 907  -0.809  20.048  16.374
    3    H4*    G 907           H4*        G 907   0.762  21.519  15.248
    4    H3*    G 907           H3*        G 907   2.089  18.971  16.253
    5    H2*    G 907           H2*        G 907   4.068  19.732  15.185
    6   2HO*    G 907          2HO*        G 907   2.262  21.185  13.672
    7    H1*    G 907           H1*        G 907   3.827  22.358  15.976
    8    H8     G 907           H8         G 907   2.724  20.387  18.951
    9    H1     G 907           H1         G 907   9.077  20.229  18.179
   10   1H2     G 907          1H2         G 907   8.431  21.580  15.035
   11   2H2     G 907          2H2         G 907   9.625  21.014  16.180
   12    H5T    G 907           H5T        G 907  -0.383  19.084  18.213
   13   1H5*    G 908          1H5*        G 908   3.303  19.477  12.509
   14   2H5*    G 908          2H5*        G 908   3.244  18.034  11.477
   15    H4*    G 908           H4*        G 908   5.471  19.010  11.412
   16    H3*    G 908           H3*        G 908   5.390  16.387  12.970
   17    H2*    G 908           H2*        G 908   7.760  16.569  13.074
   18   2HO*    G 908          2HO*        G 908   7.650  18.729  11.220
   19    H1*    G 908           H1*        G 908   7.815  19.325  13.462
   20    H8     G 908           H8         G 908   5.142  17.846  15.685
   21    H1     G 908           H1         G 908  11.063  17.031  17.989
   22   1H2     G 908          1H2         G 908  12.101  18.122  14.845
   23   2H2     G 908          2H2         G 908  12.562  17.561  16.435
   24   1H5*    G 909          1H5*        G 909   8.419  16.132  10.350
   25   2H5*    G 909          2H5*        G 909   8.456  14.639   9.387
   26    H4*    G 909           H4*        G 909  10.617  14.990  10.436
   27    H3*    G 909           H3*        G 909   9.224  12.609  11.729
   28    H2*    G 909           H2*        G 909  11.091  12.408  13.140
   29   2HO*    G 909          2HO*        G 909  13.100  13.121  12.587
   30    H1*    G 909           H1*        G 909  11.710  15.147  13.306
   31    H8     G 909           H8         G 909   8.052  14.602  14.081
   32    H1     G 909           H1         G 909  11.901  13.321  19.039
   33   1H2     G 909          1H2         G 909  14.472  13.538  16.698
   34   2H2     G 909          2H2         G 909  14.014  13.258  18.362
   35   1H5*    G 910          1H5*        G 910  11.284   8.498  11.539
   36   2H5*    G 910          2H5*        G 910  10.658   9.729  12.652
   37    H4*    G 910           H4*        G 910  13.611   9.115  12.385
   38    H3*    G 910           H3*        G 910  11.569   7.846  14.281
   39    H2*    G 910           H2*        G 910  13.325   7.745  15.888
   40   2HO*    G 910          2HO*        G 910  14.902   7.806  13.634
   41    H1*    G 910           H1*        G 910  14.296  10.259  15.378
   42    H8     G 910           H8         G 910  10.661  10.867  15.138
   43    H1     G 910           H1         G 910  12.393   9.575  21.171
   44   1H2     G 910          1H2         G 910  15.406   8.540  19.758
   45   2H2     G 910          2H2         G 910  14.459   8.761  21.212
   46   1H5*    A 911          1H5*        A 911  14.621   5.658  14.912
   47   2H5*    A 911          2H5*        A 911  14.331   3.913  14.773
   48    H4*    A 911           H4*        A 911  15.315   4.375  16.926
   49    H3*    A 911           H3*        A 911  12.370   3.662  17.053
   50    H2*    A 911           H2*        A 911  12.548   3.753  19.409
   51   2HO*    A 911          2HO*        A 911  15.102   3.014  18.885
   52    H1*    A 911           H1*        A 911  14.224   5.957  19.539
   53    H8     A 911           H8         A 911  11.550   6.549  16.915
   54   1H6     A 911          1H6         A 911   7.830   8.300  21.520
   55   2H6     A 911          2H6         A 911   8.024   8.203  19.785
   56    H2     A 911           H2         A 911  11.553   6.562  23.344
   57   1H5*    G 912          1H5*        G 912  14.153   1.526  19.802
   58   2H5*    G 912          2H5*        G 912  13.992  -0.230  19.591
   59    H4*    G 912           H4*        G 912  13.480   0.340  21.883
   60    H3*    G 912           H3*        G 912  11.326  -0.761  20.169
   61    H2*    G 912           H2*        G 912   9.565   0.326  21.146
   62   2HO*    G 912          2HO*        G 912  10.622  -0.053  23.735
   63    H1*    G 912           H1*        G 912  11.060   1.839  23.171
   64    H8     G 912           H8         G 912  10.459   2.851  19.482
   65    H1     G 912           H1         G 912   6.667   5.725  23.771
   66   1H2     G 912          1H2         G 912   8.178   3.568  26.064
   67   2H2     G 912          2H2         G 912   7.010   4.840  25.789
   68   1H5*    U 913          1H5*        U 913  12.196  -1.593  24.601
   69   2H5*    U 913          2H5*        U 913  11.913  -3.294  25.017
   70    H4*    U 913           H4*        U 913  11.483  -1.926  26.961
   71    H3*    U 913           H3*        U 913   9.163  -3.403  25.778
   72    H2*    U 913           H2*        U 913   7.516  -2.092  26.711
   73   2HO*    U 913          2HO*        U 913   9.093  -2.357  28.835
   74    H1*    U 913           H1*        U 913   8.821   0.323  27.172
   75    H3     U 913           H3         U 913   6.405   2.385  24.051
   76    H5     U 913           H5         U 913   7.238  -1.330  22.240
   77    H6     U 913           H6         U 913   8.467  -1.953  24.238
   78   1H5*    G 914          1H5*        G 914   5.982  -4.933  28.647
   79   2H5*    G 914          2H5*        G 914   6.395  -3.904  27.259
   80    H4*    G 914           H4*        G 914   5.541  -2.844  29.972
   81    H3*    G 914           H3*        G 914   3.838  -3.380  27.502
   82    H2*    G 914           H2*        G 914   2.641  -1.421  28.022
   83   2HO*    G 914          2HO*        G 914   2.306  -0.750  30.025
   84    H1*    G 914           H1*        G 914   4.795   0.009  29.136
   85    H8     G 914           H8         G 914   5.765  -1.334  25.743
   86    H1     G 914           H1         G 914   2.124   3.930  25.472
   87   1H2     G 914          1H2         G 914   1.651   3.387  28.885
   88   2H2     G 914          2H2         G 914   1.298   4.379  27.490
   89   1H5*    G 915          1H5*        G 915   1.442  -2.541  30.824
   90   2H5*    G 915          2H5*        G 915   0.097  -3.687  30.986
   91    H4*    G 915           H4*        G 915  -0.775  -1.460  31.215
   92    H3*    G 915           H3*        G 915  -1.396  -2.599  28.510
   93    H2*    G 915           H2*        G 915  -2.759  -0.694  28.161
   94   2HO*    G 915          2HO*        G 915  -3.441   0.627  29.844
   95    H1*    G 915           H1*        G 915  -1.018   1.075  29.479
   96    H8     G 915           H8         G 915   0.810  -1.214  27.044
   97    H1     G 915           H1         G 915  -2.012   3.802  24.229
   98   1H2     G 915          1H2         G 915  -3.458   4.348  27.353
   99   2H2     G 915          2H2         G 915  -3.297   4.869  25.691
  100   1H5*    U 916          1H5*        U 916  -4.722  -1.212  30.292
  101   2H5*    U 916          2H5*        U 916  -6.140  -2.272  30.205
  102    H4*    U 916           H4*        U 916  -6.767  -0.063  29.460
  103    H3*    U 916           H3*        U 916  -6.601  -2.057  27.150
  104    H2*    U 916           H2*        U 916  -7.189  -0.322  25.658
  105   2HO*    U 916          2HO*        U 916  -7.815   1.524  27.673
  106    H1*    U 916           H1*        U 916  -5.833   1.735  26.937
  107    H3     U 916           H3         U 916  -3.456   1.479  23.115
  108    H5     U 916           H5         U 916  -2.585  -2.157  25.064
  109    H6     U 916           H6         U 916  -4.204  -1.555  26.769
  110   1H5*    U 917          1H5*        U 917 -10.248   0.326  26.925
  111   2H5*    U 917          2H5*        U 917 -11.570  -0.841  27.129
  112    H4*    U 917           H4*        U 917 -12.607   0.191  25.435
  113    H3*    U 917           H3*        U 917 -11.017  -1.653  24.044
  114    H2*    U 917           H2*        U 917  -9.362  -0.153  23.335
  115   2HO*    U 917          2HO*        U 917  -9.917  -0.391  21.315
  116    H1*    U 917           H1*        U 917 -11.305   2.126  23.058
  117    H3     U 917           H3         U 917  -7.609   4.470  21.914
  118    H5     U 917           H5         U 917  -6.704   2.934  25.735
  119    H6     U 917           H6         U 917  -8.781   1.682  25.649
  120   1H5*    U 918          1H5*        U 918 -11.616   0.352  20.930
  121   2H5*    U 918          2H5*        U 918 -12.689  -0.310  19.678
  122    H4*    U 918           H4*        U 918 -10.614   0.352  18.615
  123    H3*    U 918           H3*        U 918 -11.717  -2.057  18.412
  124    H2*    U 918           H2*        U 918 -10.261  -3.304  19.772
  125   2HO*    U 918          2HO*        U 918  -8.915  -4.378  18.497
  126    H1*    U 918           H1*        U 918  -7.867  -1.615  19.081
  127    H3     U 918           H3         U 918  -5.439  -3.002  22.495
  128    H5     U 918           H5         U 918  -9.345  -3.151  24.082
  129    H6     U 918           H6         U 918 -10.170  -2.353  21.937
  130   1H5*    G 919          1H5*        G 919  -8.033  -1.018  17.144
  131   2H5*    G 919          2H5*        G 919  -7.273  -1.157  15.547
  132    H4*    G 919           H4*        G 919  -5.970  -1.348  17.964
  133    H3*    G 919           H3*        G 919  -5.166  -1.159  15.368
  134    H2*    G 919           H2*        G 919  -5.781  -3.390  14.790
  135   2HO*    G 919          2HO*        G 919  -3.803  -4.651  14.853
  136    H1*    G 919           H1*        G 919  -4.542  -4.553  17.271
  137    H8     G 919           H8         G 919  -8.264  -4.520  16.258
  138    H1     G 919           H1         G 919  -5.338 -10.142  15.347
  139   1H2     G 919          1H2         G 919  -3.188  -9.975  15.840
  140   2H2     G 919          2H2         G 919  -2.462  -8.482  16.388
  141   1H5*    U 920          1H5*        U 920  -3.853  -1.676  13.704
  142   2H5*    U 920          2H5*        U 920  -2.817  -0.509  12.861
  143    H4*    U 920           H4*        U 920  -5.142  -0.152  12.233
  144    H3*    U 920           H3*        U 920  -4.089   1.816  14.344
  145    H2*    U 920           H2*        U 920  -6.096   3.036  14.352
  146   2HO*    U 920          2HO*        U 920  -7.241   2.022  12.070
  147    H1*    U 920           H1*        U 920  -7.625   0.764  13.462
  148    H3     U 920           H3         U 920 -10.144   1.796  17.008
  149    H5     U 920           H5         U 920  -6.281   1.474  18.667
  150    H6     U 920           H6         U 920  -5.429   1.049  16.435
  151   1H5*    A 921          1H5*        A 921  -5.423   4.615  12.994
  152   2H5*    A 921          2H5*        A 921  -4.528   6.126  13.267
  153    H4*    A 921           H4*        A 921  -6.482   5.870  14.778
  154    H3*    A 921           H3*        A 921  -3.755   5.880  16.228
  155    H2*    A 921           H2*        A 921  -5.046   5.894  18.245
  156   2HO*    A 921          2HO*        A 921  -7.020   6.656  18.333
  157    H1*    A 921           H1*        A 921  -6.776   3.952  17.451
  158    H8     A 921           H8         A 921  -3.274   3.349  16.009
  159   1H6     A 921          1H6         A 921  -2.043   0.365  21.279
  160   2H6     A 921          2H6         A 921  -1.461   0.746  19.674
  161    H2     A 921           H2         A 921  -6.057   2.334  21.710
  162   1H5*    U 922          1H5*        U 922  -5.860   8.539  18.207
  163   2H5*    U 922          2H5*        U 922  -4.977  10.005  18.674
  164    H4*    U 922           H4*        U 922  -5.879   8.928  20.652
  165    H3*    U 922           H3*        U 922  -2.858   8.693  20.490
  166    H2*    U 922           H2*        U 922  -2.967   7.698  22.655
  167   2HO*    U 922          2HO*        U 922  -5.486   7.579  23.314
  168    H1*    U 922           H1*        U 922  -5.059   6.040  22.093
  169    H3     U 922           H3         U 922  -1.321   3.423  22.114
  170    H5     U 922           H5         U 922  -1.328   5.251  18.316
  171    H6     U 922           H6         U 922  -3.201   6.612  19.047
  172   1H5*    C 923          1H5*        C 923  -3.926   9.955  24.066
  173   2H5*    C 923          2H5*        C 923  -2.881  11.146  24.863
  174    H4*    C 923           H4*        C 923  -3.199   9.072  26.195
  175    H3*    C 923           H3*        C 923  -0.310   9.595  25.292
  176    H2*    C 923           H2*        C 923   0.246   7.740  26.670
  177   2HO*    C 923          2HO*        C 923  -2.186   7.120  27.710
  178    H1*    C 923           H1*        C 923  -1.935   6.188  25.967
  179   1H4     C 923          1H4         C 923   2.614   5.550  21.183
  180   2H4     C 923          2H4         C 923   2.935   4.252  22.310
  181    H5     C 923           H5         C 923   0.942   7.241  21.561
  182    H6     C 923           H6         C 923  -0.769   8.071  23.108
  183   1H5*    C 924          1H5*        C 924   0.075   8.823  29.005
  184   2H5*    C 924          2H5*        C 924   1.051   9.975  29.936
  185    H4*    C 924           H4*        C 924   1.985   7.751  30.180
  186    H3*    C 924           H3*        C 924   3.741   9.505  28.403
  187    H2*    C 924           H2*        C 924   5.284   7.693  28.416
  188   2HO*    C 924          2HO*        C 924   5.285   6.129  29.919
  189    H1*    C 924           H1*        C 924   3.386   5.718  28.107
  190   1H4     C 924          1H4         C 924   4.376   8.428  22.141
  191   2H4     C 924          2H4         C 924   5.494   7.087  22.240
  192    H5     C 924           H5         C 924   2.975   9.116  23.977
  193    H6     C 924           H6         C 924   2.354   8.676  26.309
  194   1H5*    U 925          1H5*        U 925   6.107   7.961  31.153
  195   2H5*    U 925          2H5*        U 925   7.368   9.036  31.790
  196    H4*    U 925           H4*        U 925   8.366   7.036  30.808
  197    H3*    U 925           H3*        U 925   8.863   9.543  29.117
  198    H2*    U 925           H2*        U 925  10.297   8.168  27.815
  199   2HO*    U 925          2HO*        U 925  10.051   6.147  29.811
  200    H1*    U 925           H1*        U 925   8.655   5.931  27.880
  201    H3     U 925           H3         U 925   8.764   7.406  23.562
  202    H5     U 925           H5         U 925   6.014   9.944  25.502
  203    H6     U 925           H6         U 925   6.657   8.921  27.609
  204   1H5*    U 926          1H5*        U 926  12.386   7.901  29.598
  205   2H5*    U 926          2H5*        U 926  13.689   9.001  30.084
  206    H4*    U 926           H4*        U 926  14.359   7.813  28.087
  207    H3*    U 926           H3*        U 926  13.868  10.769  27.513
  208    H2*    U 926           H2*        U 926  14.342  10.330  25.269
  209   2HO*    U 926          2HO*        U 926  15.441   8.394  24.631
  210    H1*    U 926           H1*        U 926  13.265   7.772  25.068
  211    H3     U 926           H3         U 926  10.744  10.278  22.231
  212    H5     U 926           H5         U 926   9.382  11.345  26.075
  213    H6     U 926           H6         U 926  11.192  10.027  27.011
  214   1H5*    C 927          1H5*        C 927  17.271  13.433  26.422
  215   2H5*    C 927          2H5*        C 927  15.643  12.902  25.957
  216    H4*    C 927           H4*        C 927  18.160  12.374  24.342
  217    H3*    C 927           H3*        C 927  16.092  14.573  24.036
  218    H2*    C 927           H2*        C 927  16.383  14.397  21.684
  219   2HO*    C 927          2HO*        C 927  18.080  12.836  20.927
  220    H1*    C 927           H1*        C 927  16.406  11.660  21.586
  221   1H4     C 927          1H4         C 927  10.093  13.518  22.436
  222   2H4     C 927          2H4         C 927  10.352  13.548  20.706
  223    H5     C 927           H5         C 927  11.847  13.065  24.026
  224    H6     C 927           H6         C 927  14.233  12.567  24.303
  225   1H5*    C 928          1H5*        C 928  19.067  15.444  21.555
  226   2H5*    C 928          2H5*        C 928  19.627  17.126  21.608
  227    H4*    C 928           H4*        C 928  19.104  16.527  19.324
  228    H3*    C 928           H3*        C 928  17.002  18.451  20.484
  229    H2*    C 928           H2*        C 928  16.135  18.506  18.254
  230   2HO*    C 928          2HO*        C 928  18.604  18.205  17.526
  231    H1*    C 928           H1*        C 928  16.297  15.810  17.829
  232   1H4     C 928          1H4         C 928  11.114  16.898  21.827
  233   2H4     C 928          2H4         C 928  10.474  16.978  20.201
  234    H5     C 928           H5         C 928  13.454  16.601  22.311
  235    H6     C 928           H6         C 928  15.695  16.368  21.344
  236   1H5*    C 929          1H5*        C 929  18.091  20.035  17.053
  237   2H5*    C 929          2H5*        C 929  18.510  21.757  17.124
  238    H4*    C 929           H4*        C 929  16.868  21.377  15.372
  239    H3*    C 929           H3*        C 929  15.721  22.770  17.811
  240    H2*    C 929           H2*        C 929  13.678  22.967  16.674
  241   2HO*    C 929          2HO*        C 929  14.903  22.201  14.229
  242    H1*    C 929           H1*        C 929  13.880  20.521  15.298
  243   1H4     C 929          1H4         C 929  10.943  19.427  21.146
  244   2H4     C 929          2H4         C 929   9.641  19.626  19.994
  245    H5     C 929           H5         C 929  13.268  19.702  20.570
  246    H6     C 929           H6         C 929  14.844  20.274  18.780
  247    H3T    C 929           H3T        C 929  16.530  23.652  15.221
  Start of MODEL    3
    1   1H5*    G 907          1H5*        G 907  -1.383  20.230  17.511
    2   2H5*    G 907          2H5*        G 907  -1.615  18.958  16.294
    3    H4*    G 907           H4*        G 907  -0.137  20.680  15.421
    4    H3*    G 907           H3*        G 907   1.345  18.110  16.087
    5    H2*    G 907           H2*        G 907   3.280  19.135  15.186
    6   2HO*    G 907          2HO*        G 907   1.524  20.364  13.612
    7    H1*    G 907           H1*        G 907   2.814  21.639  16.270
    8    H8     G 907           H8         G 907   1.944  19.338  19.044
    9    H1     G 907           H1         G 907   8.270  19.586  18.094
   10   1H2     G 907          1H2         G 907   7.458  21.165  15.097
   11   2H2     G 907          2H2         G 907   8.714  20.568  16.156
   12    H5T    G 907           H5T        G 907  -0.926  17.622  17.726
   13   1H5*    G 908          1H5*        G 908   2.547  19.230  12.496
   14   2H5*    G 908          2H5*        G 908   2.564  17.965  11.251
   15    H4*    G 908           H4*        G 908   4.737  19.046  11.350
   16    H3*    G 908           H3*        G 908   4.805  16.210  12.429
   17    H2*    G 908           H2*        G 908   7.129  16.507  12.677
   18   2HO*    G 908          2HO*        G 908   6.737  18.281  10.587
   19    H1*    G 908           H1*        G 908   7.054  19.220  13.389
   20    H8     G 908           H8         G 908   4.546  17.294  15.455
   21    H1     G 908           H1         G 908  10.565  16.627  17.545
   22   1H2     G 908          1H2         G 908  11.447  18.166  14.542
   23   2H2     G 908          2H2         G 908  11.985  17.448  16.044
   24   1H5*    G 909          1H5*        G 909   7.068  12.929  10.220
   25   2H5*    G 909          2H5*        G 909   6.780  13.691  11.801
   26    H4*    G 909           H4*        G 909   9.338  14.142  10.252
   27    H3*    G 909           H3*        G 909   8.693  11.753  11.976
   28    H2*    G 909           H2*        G 909  10.689  11.985  13.169
   29   2HO*    G 909          2HO*        G 909  11.905  12.133  11.149
   30    H1*    G 909           H1*        G 909  10.964  14.752  13.112
   31    H8     G 909           H8         G 909   7.432  14.229  14.151
   32    H1     G 909           H1         G 909  11.551  12.828  18.853
   33   1H2     G 909          1H2         G 909  13.967  12.935  16.346
   34   2H2     G 909          2H2         G 909  13.609  12.677  18.037
   35   1H5*    G 910          1H5*        G 910  11.054   7.910  11.592
   36   2H5*    G 910          2H5*        G 910  10.325   9.070  12.719
   37    H4*    G 910           H4*        G 910  13.319   8.787  12.340
   38    H3*    G 910           H3*        G 910  11.450   7.388  14.319
   39    H2*    G 910           H2*        G 910  13.225   7.489  15.906
   40   2HO*    G 910          2HO*        G 910  14.773   7.242  13.817
   41    H1*    G 910           H1*        G 910  13.954  10.069  15.314
   42    H8     G 910           H8         G 910  10.289  10.371  15.105
   43    H1     G 910           H1         G 910  12.158   9.308  21.142
   44   1H2     G 910          1H2         G 910  15.233   8.490  19.720
   45   2H2     G 910          2H2         G 910  14.281   8.657  21.177
   46   1H5*    A 911          1H5*        A 911  14.588   5.376  15.040
   47   2H5*    A 911          2H5*        A 911  14.369   3.619  14.937
   48    H4*    A 911           H4*        A 911  15.254   4.181  17.112
   49    H3*    A 911           H3*        A 911  12.316   3.390  17.162
   50    H2*    A 911           H2*        A 911  12.439   3.509  19.524
   51   2HO*    A 911          2HO*        A 911  15.274   3.677  19.264
   52    H1*    A 911           H1*        A 911  14.069   5.757  19.636
   53    H8     A 911           H8         A 911  11.390   6.236  16.994
   54   1H6     A 911          1H6         A 911   7.611   7.975  21.558
   55   2H6     A 911          2H6         A 911   7.813   7.851  19.824
   56    H2     A 911           H2         A 911  11.370   6.361  23.422
   57   1H5*    G 912          1H5*        G 912  14.037   1.086  19.978
   58   2H5*    G 912          2H5*        G 912  13.702  -0.641  19.738
   59    H4*    G 912           H4*        G 912  13.145  -0.069  22.007
   60    H3*    G 912           H3*        G 912  10.601  -0.592  20.383
   61    H2*    G 912           H2*        G 912   9.301   0.175  22.142
   62   2HO*    G 912          2HO*        G 912  11.053   0.187  24.217
   63    H1*    G 912           H1*        G 912  11.161   1.905  23.384
   64    H8     G 912           H8         G 912  10.497   2.672  19.712
   65    H1     G 912           H1         G 912   6.277   5.313  23.742
   66   1H2     G 912          1H2         G 912   7.815   3.306  26.150
   67   2H2     G 912          2H2         G 912   6.576   4.486  25.791
   68   1H5*    U 913          1H5*        U 913  11.262  -2.780  24.192
   69   2H5*    U 913          2H5*        U 913  10.464  -4.356  24.347
   70    H4*    U 913           H4*        U 913  10.079  -2.892  26.308
   71    H3*    U 913           H3*        U 913   7.935  -4.108  24.663
   72    H2*    U 913           H2*        U 913   6.247  -2.588  25.015
   73   2HO*    U 913          2HO*        U 913   7.359  -2.520  27.588
   74    H1*    U 913           H1*        U 913   7.599  -0.308  25.877
   75    H3     U 913           H3         U 913   6.586   1.934  22.160
   76    H5     U 913           H5         U 913   7.338  -1.949  20.699
   77    H6     U 913           H6         U 913   7.820  -2.639  22.976
   78   1H5*    G 914          1H5*        G 914   7.189  -3.463  29.246
   79   2H5*    G 914          2H5*        G 914   6.139  -4.766  29.847
   80    H4*    G 914           H4*        G 914   5.295  -2.827  30.873
   81    H3*    G 914           H3*        G 914   3.655  -3.346  28.380
   82    H2*    G 914           H2*        G 914   2.353  -1.460  28.955
   83   2HO*    G 914          2HO*        G 914   2.997  -0.587  31.267
   84    H1*    G 914           H1*        G 914   4.453   0.019  30.104
   85    H8     G 914           H8         G 914   5.541  -1.155  26.703
   86    H1     G 914           H1         G 914   1.530   3.834  26.493
   87   1H2     G 914          1H2         G 914   1.032   3.164  29.880
   88   2H2     G 914          2H2         G 914   0.635   4.166  28.504
   89   1H5*    G 915          1H5*        G 915   0.993  -2.721  31.492
   90   2H5*    G 915          2H5*        G 915  -0.303  -3.934  31.510
   91    H4*    G 915           H4*        G 915  -1.296  -1.746  31.649
   92    H3*    G 915           H3*        G 915  -1.640  -2.867  28.863
   93    H2*    G 915           H2*        G 915  -3.069  -1.008  28.487
   94   2HO*    G 915          2HO*        G 915  -4.117   0.009  30.064
   95    H1*    G 915           H1*        G 915  -1.472   0.788  29.923
   96    H8     G 915           H8         G 915   0.639  -1.393  27.637
   97    H1     G 915           H1         G 915  -2.243   3.451  24.592
   98   1H2     G 915          1H2         G 915  -3.953   3.913  27.594
   99   2H2     G 915          2H2         G 915  -3.696   4.443  25.947
  100   1H5*    U 916          1H5*        U 916  -5.138  -1.681  30.273
  101   2H5*    U 916          2H5*        U 916  -6.491  -2.806  30.056
  102    H4*    U 916           H4*        U 916  -7.116  -0.617  29.225
  103    H3*    U 916           H3*        U 916  -6.740  -2.696  27.069
  104    H2*    U 916           H2*        U 916  -7.116  -1.091  25.407
  105   2HO*    U 916          2HO*        U 916  -9.028  -0.325  26.870
  106    H1*    U 916           H1*        U 916  -6.039   1.131  26.728
  107    H3     U 916           H3         U 916  -3.343   0.858  23.113
  108    H5     U 916           H5         U 916  -2.337  -2.552  25.377
  109    H6     U 916           H6         U 916  -4.153  -2.003  26.890
  110   1H5*    U 917          1H5*        U 917 -10.263  -1.364  24.159
  111   2H5*    U 917          2H5*        U 917  -8.938  -0.300  24.672
  112    H4*    U 917           H4*        U 917 -11.882   0.448  24.719
  113    H3*    U 917           H3*        U 917 -10.052   0.141  22.489
  114    H2*    U 917           H2*        U 917  -8.381   1.534  23.349
  115   2HO*    U 917          2HO*        U 917  -8.284   3.144  21.973
  116    H1*    U 917           H1*        U 917 -10.426   3.564  24.260
  117    H3     U 917           H3         U 917  -7.915   5.585  27.433
  118    H5     U 917           H5         U 917  -5.336   2.711  25.739
  119    H6     U 917           H6         U 917  -7.229   1.845  24.493
  120   1H5*    U 918          1H5*        U 918  -9.652   2.602  20.243
  121   2H5*    U 918          2H5*        U 918 -10.613   2.513  18.751
  122    H4*    U 918           H4*        U 918  -8.384   2.405  17.980
  123    H3*    U 918           H3*        U 918  -9.828   0.256  17.326
  124    H2*    U 918           H2*        U 918  -8.897  -1.214  18.947
  125   2HO*    U 918          2HO*        U 918  -8.201  -2.281  17.201
  126    H1*    U 918           H1*        U 918  -6.179   0.087  18.701
  127    H3     U 918           H3         U 918  -4.384  -1.598  22.369
  128    H5     U 918           H5         U 918  -8.512  -1.931  23.174
  129    H6     U 918           H6         U 918  -8.942  -0.851  21.036
  130   1H5*    G 919          1H5*        G 919  -5.271   0.439  16.319
  131   2H5*    G 919          2H5*        G 919  -5.082   0.111  14.585
  132    H4*    G 919           H4*        G 919  -3.133  -0.793  15.417
  133    H3*    G 919           H3*        G 919  -4.724  -2.646  14.401
  134    H2*    G 919           H2*        G 919  -5.223  -3.774  16.404
  135   2HO*    G 919          2HO*        G 919  -3.772  -5.390  16.706
  136    H1*    G 919           H1*        G 919  -2.661  -3.000  17.758
  137    H8     G 919           H8         G 919  -6.527  -2.605  18.156
  138    H1     G 919           H1         G 919  -3.444  -4.839  23.303
  139   1H2     G 919          1H2         G 919  -1.262  -4.862  22.939
  140   2H2     G 919          2H2         G 919  -0.554  -4.336  21.429
  141   1H5*    U 920          1H5*        U 920  -0.880  -1.051  11.304
  142   2H5*    U 920          2H5*        U 920  -0.299  -0.450  12.869
  143    H4*    U 920           H4*        U 920  -0.507   1.355  11.186
  144    H3*    U 920           H3*        U 920  -1.297   1.560  13.772
  145    H2*    U 920           H2*        U 920  -3.590   1.162  13.548
  146   2HO*    U 920          2HO*        U 920  -4.294   3.064  14.066
  147    H1*    U 920           H1*        U 920  -3.850   2.572  10.929
  148    H3     U 920           H3         U 920  -7.650   0.529   9.841
  149    H5     U 920           H5         U 920  -5.998  -2.072  12.718
  150    H6     U 920           H6         U 920  -4.037  -0.643  12.789
  151   1H5*    A 921          1H5*        A 921  -3.331   4.743  13.223
  152   2H5*    A 921          2H5*        A 921  -2.571   6.250  13.778
  153    H4*    A 921           H4*        A 921  -4.849   6.000  14.675
  154    H3*    A 921           H3*        A 921  -2.583   5.853  16.746
  155    H2*    A 921           H2*        A 921  -4.259   5.695  18.427
  156   2HO*    A 921          2HO*        A 921  -5.958   6.642  16.379
  157    H1*    A 921           H1*        A 921  -5.820   3.882  17.135
  158    H8     A 921           H8         A 921  -2.251   3.041  16.211
  159   1H6     A 921          1H6         A 921  -1.849   0.085  21.624
  160   2H6     A 921          2H6         A 921  -1.070   0.377  20.085
  161    H2     A 921           H2         A 921  -5.696   2.405  21.597
  162   1H5*    U 922          1H5*        U 922  -5.158   8.396  18.315
  163   2H5*    U 922          2H5*        U 922  -4.443   9.857  19.023
  164    H4*    U 922           H4*        U 922  -5.763   8.701  20.697
  165    H3*    U 922           H3*        U 922  -2.771   8.572  21.210
  166    H2*    U 922           H2*        U 922  -3.267   7.426  23.240
  167   2HO*    U 922          2HO*        U 922  -6.047   7.782  22.795
  168    H1*    U 922           H1*        U 922  -5.072   5.703  22.183
  169    H3     U 922           H3         U 922  -1.209   3.331  22.679
  170    H5     U 922           H5         U 922  -0.699   5.465  19.078
  171    H6     U 922           H6         U 922  -2.769   6.639  19.559
  172   1H5*    C 923          1H5*        C 923  -4.505   9.544  24.591
  173   2H5*    C 923          2H5*        C 923  -3.731  10.822  25.546
  174    H4*    C 923           H4*        C 923  -4.006   8.791  26.874
  175    H3*    C 923           H3*        C 923  -1.108   9.455  26.229
  176    H2*    C 923           H2*        C 923  -0.532   7.632  27.636
  177   2HO*    C 923          2HO*        C 923  -3.080   6.966  28.464
  178    H1*    C 923           H1*        C 923  -2.532   5.929  26.779
  179   1H4     C 923          1H4         C 923   2.357   5.701  22.302
  180   2H4     C 923          2H4         C 923   2.692   4.405  23.428
  181    H5     C 923           H5         C 923   0.549   7.264  22.586
  182    H6     C 923           H6         C 923  -1.317   7.944  24.023
  183   1H5*    C 924          1H5*        C 924   1.958  10.819  29.238
  184   2H5*    C 924          2H5*        C 924   1.614  10.091  27.656
  185    H4*    C 924           H4*        C 924   1.890   8.401  30.147
  186    H3*    C 924           H3*        C 924   4.098   9.531  28.377
  187    H2*    C 924           H2*        C 924   5.225   7.452  28.498
  188   2HO*    C 924          2HO*        C 924   3.541   7.020  30.731
  189    H1*    C 924           H1*        C 924   3.019   5.847  28.222
  190   1H4     C 924          1H4         C 924   4.349   8.152  22.161
  191   2H4     C 924          2H4         C 924   5.429   6.791  22.367
  192    H5     C 924           H5         C 924   2.930   8.989  23.920
  193    H6     C 924           H6         C 924   2.250   8.710  26.260
  194   1H5*    U 925          1H5*        U 925   6.261   7.919  31.212
  195   2H5*    U 925          2H5*        U 925   7.537   8.981  31.843
  196    H4*    U 925           H4*        U 925   8.548   6.977  30.943
  197    H3*    U 925           H3*        U 925   8.932   9.412  29.165
  198    H2*    U 925           H2*        U 925  10.349   8.070  27.816
  199   2HO*    U 925          2HO*        U 925  10.579   6.572  30.167
  200    H1*    U 925           H1*        U 925   8.807   5.764  28.007
  201    H3     U 925           H3         U 925   8.658   7.103  23.650
  202    H5     U 925           H5         U 925   5.930   9.624  25.643
  203    H6     U 925           H6         U 925   6.700   8.685  27.746
  204   1H5*    U 926          1H5*        U 926  12.549   7.883  29.541
  205   2H5*    U 926          2H5*        U 926  13.814   9.048  29.978
  206    H4*    U 926           H4*        U 926  14.498   7.870  27.986
  207    H3*    U 926           H3*        U 926  13.797  10.767  27.427
  208    H2*    U 926           H2*        U 926  14.177  10.386  25.159
  209   2HO*    U 926          2HO*        U 926  16.192   9.036  26.004
  210    H1*    U 926           H1*        U 926  13.343   7.722  24.997
  211    H3     U 926           H3         U 926  10.465   9.821  22.200
  212    H5     U 926           H5         U 926   9.264  11.085  26.037
  213    H6     U 926           H6         U 926  11.205   9.948  26.947
  214   1H5*    C 927          1H5*        C 927  16.996  13.593  26.123
  215   2H5*    C 927          2H5*        C 927  15.396  12.949  25.706
  216    H4*    C 927           H4*        C 927  17.907  12.564  24.041
  217    H3*    C 927           H3*        C 927  15.683  14.607  23.772
  218    H2*    C 927           H2*        C 927  15.890  14.418  21.414
  219   2HO*    C 927          2HO*        C 927  18.392  13.272  22.051
  220    H1*    C 927           H1*        C 927  16.109  11.688  21.340
  221   1H4     C 927          1H4         C 927   9.714  13.071  22.438
  222   2H4     C 927          2H4         C 927   9.905  13.150  20.700
  223    H5     C 927           H5         C 927  11.557  12.726  23.953
  224    H6     C 927           H6         C 927  13.983  12.406  24.133
  225   1H5*    C 928          1H5*        C 928  18.546  15.656  21.180
  226   2H5*    C 928          2H5*        C 928  18.990  17.372  21.222
  227    H4*    C 928           H4*        C 928  18.471  16.741  18.949
  228    H3*    C 928           H3*        C 928  16.257  18.502  20.152
  229    H2*    C 928           H2*        C 928  15.341  18.494  17.943
  230   2HO*    C 928          2HO*        C 928  17.521  17.021  16.924
  231    H1*    C 928           H1*        C 928  15.712  15.819  17.494
  232   1H4     C 928          1H4         C 928  10.504  16.481  21.553
  233   2H4     C 928          2H4         C 928   9.841  16.514  19.934
  234    H5     C 928           H5         C 928  12.865  16.368  22.010
  235    H6     C 928           H6         C 928  15.105  16.318  21.019
  236   1H5*    C 929          1H5*        C 929  17.196  20.192  16.701
  237   2H5*    C 929          2H5*        C 929  17.491  21.938  16.793
  238    H4*    C 929           H4*        C 929  15.861  21.470  15.054
  239    H3*    C 929           H3*        C 929  14.650  22.733  17.529
  240    H2*    C 929           H2*        C 929  12.581  22.801  16.423
  241   2HO*    C 929          2HO*        C 929  12.419  23.137  14.340
  242    H1*    C 929           H1*        C 929  12.932  20.395  15.010
  243   1H4     C 929          1H4         C 929  10.206  19.016  20.902
  244   2H4     C 929          2H4         C 929   8.871  19.124  19.776
  245    H5     C 929           H5         C 929  12.492  19.477  20.285
  246    H6     C 929           H6         C 929  13.984  20.187  18.472
  247    H3T    C 929           H3T        C 929  15.028  23.890  14.981
  Start of MODEL    4
    1   1H5*    G 907          1H5*        G 907  -1.417  19.998  17.212
    2   2H5*    G 907          2H5*        G 907  -1.693  18.609  16.139
    3    H4*    G 907           H4*        G 907  -0.255  20.232  15.040
    4    H3*    G 907           H3*        G 907   1.253  17.741  15.904
    5    H2*    G 907           H2*        G 907   3.154  18.663  14.834
    6   2HO*    G 907          2HO*        G 907   2.388  20.943  13.780
    7    H1*    G 907           H1*        G 907   2.735  21.262  15.682
    8    H8     G 907           H8         G 907   1.949  19.231  18.690
    9    H1     G 907           H1         G 907   8.243  19.401  17.531
   10   1H2     G 907          1H2         G 907   7.336  20.696  14.428
   11   2H2     G 907          2H2         G 907   8.626  20.200  15.500
   12    H5T    G 907           H5T        G 907  -1.078  18.295  18.490
   13   1H5*    G 908          1H5*        G 908   2.326  18.507  12.183
   14   2H5*    G 908          2H5*        G 908   2.297  17.131  11.064
   15    H4*    G 908           H4*        G 908   4.471  18.207  10.974
   16    H3*    G 908           H3*        G 908   4.573  15.495  12.320
   17    H2*    G 908           H2*        G 908   6.905  15.796  12.462
   18   2HO*    G 908          2HO*        G 908   7.389  16.399  10.385
   19    H1*    G 908           H1*        G 908   6.865  18.568  12.903
   20    H8     G 908           H8         G 908   4.427  16.836  15.222
   21    H1     G 908           H1         G 908  10.509  16.442  17.196
   22   1H2     G 908          1H2         G 908  11.289  17.693  14.035
   23   2H2     G 908          2H2         G 908  11.877  17.128  15.583
   24   1H5*    G 909          1H5*        G 909   6.795  12.026  10.373
   25   2H5*    G 909          2H5*        G 909   6.572  12.949  11.875
   26    H4*    G 909           H4*        G 909   9.055  13.249  10.178
   27    H3*    G 909           H3*        G 909   8.493  11.031  12.143
   28    H2*    G 909           H2*        G 909  10.525  11.377  13.241
   29   2HO*    G 909          2HO*        G 909  11.361  11.809  10.766
   30    H1*    G 909           H1*        G 909  10.788  14.125  12.923
   31    H8     G 909           H8         G 909   7.283  13.674  14.102
   32    H1     G 909           H1         G 909  11.541  12.778  18.803
   33   1H2     G 909          1H2         G 909  13.891  12.672  16.232
   34   2H2     G 909          2H2         G 909  13.580  12.573  17.950
   35   1H5*    G 910          1H5*        G 910  10.876   7.188  12.048
   36   2H5*    G 910          2H5*        G 910  10.183   8.452  13.082
   37    H4*    G 910           H4*        G 910  13.162   8.138  12.619
   38    H3*    G 910           H3*        G 910  11.377   6.939  14.797
   39    H2*    G 910           H2*        G 910  13.208   7.208  16.300
   40   2HO*    G 910          2HO*        G 910  15.201   8.220  15.109
   41    H1*    G 910           H1*        G 910  13.891   9.718  15.434
   42    H8     G 910           H8         G 910  10.225   9.996  15.305
   43    H1     G 910           H1         G 910  12.262   9.495  21.360
   44   1H2     G 910          1H2         G 910  15.299   8.546  19.935
   45   2H2     G 910          2H2         G 910  14.387   8.850  21.397
   46   1H5*    A 911          1H5*        A 911  14.620   5.112  15.589
   47   2H5*    A 911          2H5*        A 911  14.464   3.346  15.641
   48    H4*    A 911           H4*        A 911  15.455   4.097  17.703
   49    H3*    A 911           H3*        A 911  12.566   3.212  17.999
   50    H2*    A 911           H2*        A 911  12.798   3.569  20.324
   51   2HO*    A 911          2HO*        A 911  15.560   4.084  20.149
   52    H1*    A 911           H1*        A 911  14.324   5.877  20.165
   53    H8     A 911           H8         A 911  11.549   6.003  17.581
   54   1H6     A 911          1H6         A 911   7.841   8.010  22.091
   55   2H6     A 911          2H6         A 911   7.995   7.735  20.371
   56    H2     A 911           H2         A 911  11.719   6.729  23.967
   57   1H5*    G 912          1H5*        G 912  14.535   1.439  20.910
   58   2H5*    G 912          2H5*        G 912  14.464  -0.333  20.845
   59    H4*    G 912           H4*        G 912  13.951   0.380  23.090
   60    H3*    G 912           H3*        G 912  11.776  -0.886  21.497
   61    H2*    G 912           H2*        G 912  10.019   0.139  22.545
   62   2HO*    G 912          2HO*        G 912  11.170   0.135  25.090
   63    H1*    G 912           H1*        G 912  11.528   1.901  24.326
   64    H8     G 912           H8         G 912  10.779   2.558  20.589
   65    H1     G 912           H1         G 912   6.920   5.563  24.724
   66   1H2     G 912          1H2         G 912   8.597   3.688  27.147
   67   2H2     G 912          2H2         G 912   7.355   4.869  26.799
   68   1H5*    U 913          1H5*        U 913  12.788  -1.491  25.911
   69   2H5*    U 913          2H5*        U 913  12.544  -3.162  26.456
   70    H4*    U 913           H4*        U 913  12.082  -1.640  28.285
   71    H3*    U 913           H3*        U 913   9.793  -3.271  27.199
   72    H2*    U 913           H2*        U 913   8.124  -1.965  28.110
   73   2HO*    U 913          2HO*        U 913   8.382  -1.906  30.204
   74    H1*    U 913           H1*        U 913   9.375   0.509  28.378
   75    H3     U 913           H3         U 913   6.780   2.291  25.230
   76    H5     U 913           H5         U 913   7.719  -1.481  23.595
   77    H6     U 913           H6         U 913   9.024  -1.945  25.589
   78   1H5*    G 914          1H5*        G 914   6.678  -4.785  30.162
   79   2H5*    G 914          2H5*        G 914   7.047  -3.802  28.727
   80    H4*    G 914           H4*        G 914   6.190  -2.660  31.407
   81    H3*    G 914           H3*        G 914   4.455  -3.283  28.963
   82    H2*    G 914           H2*        G 914   3.223  -1.344  29.518
   83   2HO*    G 914          2HO*        G 914   4.513  -1.106  32.024
   84    H1*    G 914           H1*        G 914   5.387   0.156  30.468
   85    H8     G 914           H8         G 914   6.280  -1.354  27.121
   86    H1     G 914           H1         G 914   2.555   3.840  26.688
   87   1H2     G 914          1H2         G 914   2.195   3.473  30.138
   88   2H2     G 914          2H2         G 914   1.788   4.386  28.704
   89   1H5*    G 915          1H5*        G 915   1.961  -2.470  32.107
   90   2H5*    G 915          2H5*        G 915   0.619  -3.623  32.251
   91    H4*    G 915           H4*        G 915  -0.266  -1.378  32.285
   92    H3*    G 915           H3*        G 915  -0.778  -2.676  29.596
   93    H2*    G 915           H2*        G 915  -2.143  -0.790  29.141
   94   2HO*    G 915          2HO*        G 915  -1.939  -0.137  31.913
   95    H1*    G 915           H1*        G 915  -0.432   1.028  30.430
   96    H8     G 915           H8         G 915   1.554  -1.283  28.179
   97    H1     G 915           H1         G 915  -1.445   3.391  24.981
   98   1H2     G 915          1H2         G 915  -3.038   4.023  28.016
   99   2H2     G 915          2H2         G 915  -2.845   4.459  26.333
  100   1H5*    U 916          1H5*        U 916  -4.248  -1.290  30.870
  101   2H5*    U 916          2H5*        U 916  -5.564  -2.478  30.824
  102    H4*    U 916           H4*        U 916  -6.289  -0.459  29.716
  103    H3*    U 916           H3*        U 916  -5.720  -2.725  27.755
  104    H2*    U 916           H2*        U 916  -6.275  -1.302  25.969
  105   2HO*    U 916          2HO*        U 916  -7.399   0.669  27.641
  106    H1*    U 916           H1*        U 916  -5.371   1.091  27.129
  107    H3     U 916           H3         U 916  -2.813   0.754  23.403
  108    H5     U 916           H5         U 916  -1.325  -2.257  25.950
  109    H6     U 916           H6         U 916  -3.150  -1.776  27.477
  110   1H5*    U 917          1H5*        U 917  -8.783  -1.087  26.332
  111   2H5*    U 917          2H5*        U 917 -10.241  -2.079  26.130
  112    H4*    U 917           H4*        U 917  -9.791  -0.862  24.078
  113    H3*    U 917           H3*        U 917 -10.043  -3.637  24.262
  114    H2*    U 917           H2*        U 917  -7.868  -4.264  23.788
  115   2HO*    U 917          2HO*        U 917  -8.437  -5.158  21.942
  116    H1*    U 917           H1*        U 917  -7.420  -1.906  21.968
  117    H3     U 917           H3         U 917  -2.978  -2.285  21.983
  118    H5     U 917           H5         U 917  -4.061  -4.107  25.627
  119    H6     U 917           H6         U 917  -6.374  -3.568  25.132
  120   1H5*    U 918          1H5*        U 918  -8.094  -3.313  19.744
  121   2H5*    U 918          2H5*        U 918  -9.239  -2.269  20.611
  122    H4*    U 918           H4*        U 918  -9.874  -3.445  17.880
  123    H3*    U 918           H3*        U 918  -7.763  -1.809  18.114
  124    H2*    U 918           H2*        U 918  -8.906   0.146  18.792
  125   2HO*    U 918          2HO*        U 918  -8.255   0.343  16.482
  126    H1*    U 918           H1*        U 918 -11.398  -0.577  17.260
  127    H3     U 918           H3         U 918 -13.442   2.870  19.187
  128    H5     U 918           H5         U 918 -11.753   0.828  22.469
  129    H6     U 918           H6         U 918 -10.691  -0.687  20.888
  130   1H5*    G 919          1H5*        G 919  -8.611  -0.219  13.247
  131   2H5*    G 919          2H5*        G 919  -6.838  -0.199  13.181
  132    H4*    G 919           H4*        G 919  -6.929   2.015  12.967
  133    H3*    G 919           H3*        G 919  -6.959   1.639  15.553
  134    H2*    G 919           H2*        G 919  -9.147   1.959  16.228
  135   2HO*    G 919          2HO*        G 919  -8.301   4.064  16.679
  136    H1*    G 919           H1*        G 919 -10.305   3.435  14.037
  137    H8     G 919           H8         G 919  -9.669  -0.229  15.201
  138    H1     G 919           H1         G 919 -15.746   1.168  13.748
  139   1H2     G 919          1H2         G 919 -15.880   3.203  12.890
  140   2H2     G 919          2H2         G 919 -14.481   4.229  12.678
  141   1H5*    U 920          1H5*        U 920  -5.317   1.387  14.289
  142   2H5*    U 920          2H5*        U 920  -4.282   2.702  14.879
  143    H4*    U 920           H4*        U 920  -2.960   0.701  14.341
  144    H3*    U 920           H3*        U 920  -2.708   3.048  12.453
  145    H2*    U 920           H2*        U 920  -1.136   1.924  11.135
  146   2HO*    U 920          2HO*        U 920   0.380   1.334  12.611
  147    H1*    U 920           H1*        U 920  -2.133  -0.677  11.720
  148    H3     U 920           H3         U 920  -3.022  -1.189   7.396
  149    H5     U 920           H5         U 920  -4.102   2.831   8.071
  150    H6     U 920           H6         U 920  -3.519   2.527  10.406
  151   1H5*    A 921          1H5*        A 921  -3.243   4.736  13.514
  152   2H5*    A 921          2H5*        A 921  -3.003   6.416  14.039
  153    H4*    A 921           H4*        A 921  -4.984   5.543  15.109
  154    H3*    A 921           H3*        A 921  -2.662   5.734  17.077
  155    H2*    A 921           H2*        A 921  -4.192   5.070  18.755
  156   2HO*    A 921          2HO*        A 921  -5.899   6.501  17.574
  157    H1*    A 921           H1*        A 921  -5.506   3.178  17.220
  158    H8     A 921           H8         A 921  -1.948   2.602  16.365
  159   1H6     A 921          1H6         A 921  -1.220  -0.167  21.841
  160   2H6     A 921          2H6         A 921  -0.504   0.122  20.271
  161    H2     A 921           H2         A 921  -5.184   1.944  21.876
  162   1H5*    U 922          1H5*        U 922  -5.454   7.842  18.999
  163   2H5*    U 922          2H5*        U 922  -4.843   9.390  19.613
  164    H4*    U 922           H4*        U 922  -5.720   8.111  21.460
  165    H3*    U 922           H3*        U 922  -2.684   8.213  21.467
  166    H2*    U 922           H2*        U 922  -2.776   7.096  23.568
  167   2HO*    U 922          2HO*        U 922  -5.599   7.191  23.615
  168    H1*    U 922           H1*        U 922  -4.678   5.273  22.829
  169    H3     U 922           H3         U 922  -0.726   3.000  22.982
  170    H5     U 922           H5         U 922  -0.668   5.001  19.272
  171    H6     U 922           H6         U 922  -2.700   6.151  19.936
  172   1H5*    C 923          1H5*        C 923  -3.926   9.268  25.091
  173   2H5*    C 923          2H5*        C 923  -3.072  10.634  25.832
  174    H4*    C 923           H4*        C 923  -3.025   8.664  27.287
  175    H3*    C 923           H3*        C 923  -0.259   9.343  26.129
  176    H2*    C 923           H2*        C 923   0.550   7.665  27.609
  177   2HO*    C 923          2HO*        C 923  -1.770   6.983  28.873
  178    H1*    C 923           H1*        C 923  -1.562   5.907  27.208
  179   1H4     C 923          1H4         C 923   2.744   5.100  22.226
  180   2H4     C 923          2H4         C 923   3.205   3.928  23.440
  181    H5     C 923           H5         C 923   0.994   6.720  22.556
  182    H6     C 923           H6         C 923  -0.677   7.589  24.127
  183   1H5*    C 924          1H5*        C 924   0.409   8.975  29.920
  184   2H5*    C 924          2H5*        C 924   1.356  10.282  30.658
  185    H4*    C 924           H4*        C 924   2.445   8.159  31.091
  186    H3*    C 924           H3*        C 924   3.987   9.786  29.021
  187    H2*    C 924           H2*        C 924   5.640   8.082  29.153
  188   2HO*    C 924          2HO*        C 924   4.242   7.230  31.485
  189    H1*    C 924           H1*        C 924   3.851   5.977  29.211
  190   1H4     C 924          1H4         C 924   4.401   7.923  22.901
  191   2H4     C 924          2H4         C 924   5.597   6.663  23.111
  192    H5     C 924           H5         C 924   3.049   8.774  24.705
  193    H6     C 924           H6         C 924   2.567   8.614  27.104
  194   1H5*    U 925          1H5*        U 925   6.579   8.719  31.804
  195   2H5*    U 925          2H5*        U 925   7.797   9.935  32.239
  196    H4*    U 925           H4*        U 925   8.876   7.894  31.453
  197    H3*    U 925           H3*        U 925   9.127  10.195  29.451
  198    H2*    U 925           H2*        U 925  10.583   8.760  28.242
  199   2HO*    U 925          2HO*        U 925  10.569   6.712  30.145
  200    H1*    U 925           H1*        U 925   9.100   6.452  28.669
  201    H3     U 925           H3         U 925   8.900   7.373  24.204
  202    H5     U 925           H5         U 925   6.094   9.976  25.970
  203    H6     U 925           H6         U 925   6.903   9.265  28.147
  204   1H5*    U 926          1H5*        U 926  12.758   8.830  29.911
  205   2H5*    U 926          2H5*        U 926  14.014  10.050  30.193
  206    H4*    U 926           H4*        U 926  14.650   8.671  28.307
  207    H3*    U 926           H3*        U 926  13.948  11.510  27.452
  208    H2*    U 926           H2*        U 926  14.315  10.862  25.240
  209   2HO*    U 926          2HO*        U 926  15.961   8.928  26.440
  210    H1*    U 926           H1*        U 926  13.425   8.222  25.386
  211    H3     U 926           H3         U 926  10.608  10.188  22.409
  212    H5     U 926           H5         U 926   9.344  11.626  26.164
  213    H6     U 926           H6         U 926  11.284  10.556  27.154
  214   1H5*    C 927          1H5*        C 927  17.118  14.197  25.860
  215   2H5*    C 927          2H5*        C 927  15.509  13.525  25.537
  216    H4*    C 927           H4*        C 927  17.985  12.966  23.868
  217    H3*    C 927           H3*        C 927  15.765  14.996  23.441
  218    H2*    C 927           H2*        C 927  15.939  14.580  21.108
  219   2HO*    C 927          2HO*        C 927  17.810  14.126  20.263
  220    H1*    C 927           H1*        C 927  16.121  11.856  21.295
  221   1H4     C 927          1H4         C 927   9.769  13.427  22.393
  222   2H4     C 927          2H4         C 927   9.921  13.333  20.652
  223    H5     C 927           H5         C 927  11.642  13.208  23.895
  224    H6     C 927           H6         C 927  14.067  12.873  24.052
  225   1H5*    C 928          1H5*        C 928  18.573  15.795  20.709
  226   2H5*    C 928          2H5*        C 928  19.016  17.507  20.584
  227    H4*    C 928           H4*        C 928  18.445  16.671  18.390
  228    H3*    C 928           H3*        C 928  16.245  18.541  19.470
  229    H2*    C 928           H2*        C 928  15.299  18.325  17.281
  230   2HO*    C 928          2HO*        C 928  16.459  17.190  15.623
  231    H1*    C 928           H1*        C 928  15.648  15.622  17.093
  232   1H4     C 928          1H4         C 928  10.548  16.700  21.201
  233   2H4     C 928          2H4         C 928   9.844  16.586  19.603
  234    H5     C 928           H5         C 928  12.920  16.613  21.606
  235    H6     C 928           H6         C 928  15.135  16.453  20.568
  236   1H5*    C 929          1H5*        C 929  17.114  19.928  15.860
  237   2H5*    C 929          2H5*        C 929  17.395  21.678  15.799
  238    H4*    C 929           H4*        C 929  15.741  21.056  14.134
  239    H3*    C 929           H3*        C 929  14.533  22.506  16.516
  240    H2*    C 929           H2*        C 929  12.461  22.464  15.402
  241   2HO*    C 929          2HO*        C 929  12.317  21.942  13.160
  242    H1*    C 929           H1*        C 929  12.812  19.935  14.247
  243   1H4     C 929          1H4         C 929  10.260  19.127  20.319
  244   2H4     C 929          2H4         C 929   8.893  19.121  19.227
  245    H5     C 929           H5         C 929  12.525  19.536  19.597
  246    H6     C 929           H6         C 929  13.960  20.072  17.681
  247    H3T    C 929           H3T        C 929  14.469  24.145  14.747
  Start of MODEL    5
    1   1H5*    G 907          1H5*        G 907  -0.062  21.820  18.481
    2   2H5*    G 907          2H5*        G 907  -0.522  20.581  17.296
    3    H4*    G 907           H4*        G 907   1.093  22.103  16.308
    4    H3*    G 907           H3*        G 907   2.301  19.381  16.913
    5    H2*    G 907           H2*        G 907   4.283  20.169  15.880
    6   2HO*    G 907          2HO*        G 907   2.593  21.596  14.412
    7    H1*    G 907           H1*        G 907   4.203  22.697  16.987
    8    H8     G 907           H8         G 907   3.155  20.393  19.739
    9    H1     G 907           H1         G 907   9.461  20.158  18.660
   10   1H2     G 907          1H2         G 907   8.728  21.925  15.749
   11   2H2     G 907          2H2         G 907   9.949  21.180  16.755
   12    H5T    G 907           H5T        G 907   0.221  19.122  18.580
   13   1H5*    G 908          1H5*        G 908   3.386  20.369  13.240
   14   2H5*    G 908          2H5*        G 908   3.218  19.107  12.004
   15    H4*    G 908           H4*        G 908   5.486  19.977  11.984
   16    H3*    G 908           H3*        G 908   5.359  17.137  13.055
   17    H2*    G 908           H2*        G 908   7.709  17.235  13.176
   18   2HO*    G 908          2HO*        G 908   7.529  18.494  10.949
   19    H1*    G 908           H1*        G 908   7.913  19.933  13.905
   20    H8     G 908           H8         G 908   5.339  18.187  16.065
   21    H1     G 908           H1         G 908  11.372  17.062  17.904
   22   1H2     G 908          1H2         G 908  12.245  18.566  14.883
   23   2H2     G 908          2H2         G 908  12.788  17.794  16.356
   24   1H5*    G 909          1H5*        G 909   7.245  13.716  10.654
   25   2H5*    G 909          2H5*        G 909   7.115  14.468  12.259
   26    H4*    G 909           H4*        G 909   9.593  14.771  10.553
   27    H3*    G 909           H3*        G 909   8.902  12.403  12.293
   28    H2*    G 909           H2*        G 909  10.992  12.476  13.333
   29   2HO*    G 909          2HO*        G 909  11.770  13.800  10.958
   30    H1*    G 909           H1*        G 909  11.448  15.221  13.284
   31    H8     G 909           H8         G 909   7.986  14.929  14.597
   32    H1     G 909           H1         G 909  12.347  13.142  18.935
   33   1H2     G 909          1H2         G 909  14.559  13.119  16.244
   34   2H2     G 909          2H2         G 909  14.318  12.858  17.955
   35   1H5*    G 910          1H5*        G 910  10.950   8.395  11.716
   36   2H5*    G 910          2H5*        G 910  10.322   9.582  12.876
   37    H4*    G 910           H4*        G 910  13.281   9.132  12.390
   38    H3*    G 910           H3*        G 910  11.409   7.838  14.432
   39    H2*    G 910           H2*        G 910  13.236   7.857  15.969
   40   2HO*    G 910          2HO*        G 910  14.971   8.844  13.960
   41    H1*    G 910           H1*        G 910  14.042  10.400  15.388
   42    H8     G 910           H8         G 910  10.371  10.791  15.165
   43    H1     G 910           H1         G 910  12.239   9.792  21.214
   44   1H2     G 910          1H2         G 910  15.295   8.897  19.796
   45   2H2     G 910          2H2         G 910  14.351   9.106  21.254
   46   1H5*    A 911          1H5*        A 911  14.603   5.870  15.022
   47   2H5*    A 911          2H5*        A 911  14.427   4.106  14.986
   48    H4*    A 911           H4*        A 911  15.481   4.737  17.059
   49    H3*    A 911           H3*        A 911  12.613   3.838  17.382
   50    H2*    A 911           H2*        A 911  12.907   4.068  19.730
   51   2HO*    A 911          2HO*        A 911  15.539   4.822  19.781
   52    H1*    A 911           H1*        A 911  14.300   6.435  19.650
   53    H8     A 911           H8         A 911  11.614   6.575  16.985
   54   1H6     A 911          1H6         A 911   7.662   8.177  21.451
   55   2H6     A 911          2H6         A 911   7.890   8.002  19.725
   56    H2     A 911           H2         A 911  11.522   6.956  23.401
   57   1H5*    G 912          1H5*        G 912  14.738   2.381  20.147
   58   2H5*    G 912          2H5*        G 912  14.927   0.618  20.209
   59    H4*    G 912           H4*        G 912  14.579   1.558  22.448
   60    H3*    G 912           H3*        G 912  12.954  -0.649  21.428
   61    H2*    G 912           H2*        G 912  10.879   0.377  21.587
   62   2HO*    G 912          2HO*        G 912  10.420  -0.742  23.336
   63    H1*    G 912           H1*        G 912  11.702   2.356  23.672
   64    H8     G 912           H8         G 912  10.849   2.682  19.886
   65    H1     G 912           H1         G 912   6.722   5.453  23.926
   66   1H2     G 912          1H2         G 912   8.733   4.061  26.418
   67   2H2     G 912          2H2         G 912   7.318   5.012  26.029
   68   1H5*    U 913          1H5*        U 913  11.424  -3.411  25.266
   69   2H5*    U 913          2H5*        U 913  10.668  -1.827  25.008
   70    H4*    U 913           H4*        U 913  11.876  -2.705  27.646
   71    H3*    U 913           H3*        U 913   9.013  -3.024  26.622
   72    H2*    U 913           H2*        U 913   8.089  -2.015  28.478
   73   2HO*    U 913          2HO*        U 913  10.329  -3.061  29.873
   74    H1*    U 913           H1*        U 913  10.403  -0.617  29.415
   75    H3     U 913           H3         U 913   7.850   3.037  29.466
   76    H5     U 913           H5         U 913   7.263   1.557  25.561
   77    H6     U 913           H6         U 913   8.639  -0.353  26.153
   78   1H5*    G 914          1H5*        G 914   5.776  -5.051  27.161
   79   2H5*    G 914          2H5*        G 914   6.963  -3.915  26.486
   80    H4*    G 914           H4*        G 914   5.855  -3.119  29.105
   81    H3*    G 914           H3*        G 914   4.002  -3.386  26.707
   82    H2*    G 914           H2*        G 914   3.066  -1.316  27.288
   83   2HO*    G 914          2HO*        G 914   2.766  -0.730  29.305
   84    H1*    G 914           H1*        G 914   5.391  -0.185  28.431
   85    H8     G 914           H8         G 914   6.332  -1.281  25.001
   86    H1     G 914           H1         G 914   2.695   3.992  24.978
   87   1H2     G 914          1H2         G 914   2.119   3.219  28.330
   88   2H2     G 914          2H2         G 914   1.808   4.304  26.995
   89   1H5*    G 915          1H5*        G 915   1.868  -2.584  30.346
   90   2H5*    G 915          2H5*        G 915   0.507  -3.710  30.529
   91    H4*    G 915           H4*        G 915  -0.257  -1.500  31.082
   92    H3*    G 915           H3*        G 915  -1.158  -2.381  28.359
   93    H2*    G 915           H2*        G 915  -2.512  -0.433  28.292
   94   2HO*    G 915          2HO*        G 915  -2.274   0.828  30.529
   95    H1*    G 915           H1*        G 915  -0.611   1.210  29.526
   96    H8     G 915           H8         G 915   1.053  -0.929  26.877
   97    H1     G 915           H1         G 915  -2.133   4.070  24.448
   98   1H2     G 915          1H2         G 915  -3.369   4.461  27.683
   99   2H2     G 915          2H2         G 915  -3.346   5.043  26.035
  100   1H5*    U 916          1H5*        U 916  -4.301  -1.018  30.434
  101   2H5*    U 916          2H5*        U 916  -5.688  -2.121  30.474
  102    H4*    U 916           H4*        U 916  -6.468   0.084  29.886
  103    H3*    U 916           H3*        U 916  -6.494  -1.861  27.540
  104    H2*    U 916           H2*        U 916  -7.233  -0.148  26.118
  105   2HO*    U 916          2HO*        U 916  -7.921   1.933  27.331
  106    H1*    U 916           H1*        U 916  -5.905   1.985  27.337
  107    H3     U 916           H3         U 916  -4.005   1.940  23.233
  108    H5     U 916           H5         U 916  -2.519  -1.548  25.075
  109    H6     U 916           H6         U 916  -4.000  -1.111  26.948
  110   1H5*    U 917          1H5*        U 917  -9.586   0.315  27.300
  111   2H5*    U 917          2H5*        U 917 -11.196  -0.426  27.192
  112    H4*    U 917           H4*        U 917 -10.938   1.249  25.447
  113    H3*    U 917           H3*        U 917 -11.644  -1.364  25.050
  114    H2*    U 917           H2*        U 917  -9.799  -2.177  23.923
  115   2HO*    U 917          2HO*        U 917 -11.065  -2.288  22.154
  116    H1*    U 917           H1*        U 917  -9.091   0.450  22.673
  117    H3     U 917           H3         U 917  -4.800  -0.598  22.034
  118    H5     U 917           H5         U 917  -5.960  -3.268  25.084
  119    H6     U 917           H6         U 917  -8.143  -2.212  25.086
  120   1H5*    U 918          1H5*        U 918 -11.100   1.436  21.577
  121   2H5*    U 918          2H5*        U 918 -12.704   1.581  20.828
  122    H4*    U 918           H4*        U 918 -11.267   2.240  19.091
  123    H3*    U 918           H3*        U 918 -12.687   0.021  18.559
  124    H2*    U 918           H2*        U 918 -10.956  -1.546  19.019
  125   2HO*    U 918          2HO*        U 918  -9.668  -1.551  16.816
  126    H1*    U 918           H1*        U 918  -8.862   0.271  17.814
  127    H3     U 918           H3         U 918  -5.298  -1.737  19.485
  128    H5     U 918           H5         U 918  -8.350  -3.041  22.090
  129    H6     U 918           H6         U 918  -9.909  -1.649  20.843
  130   1H5*    G 919          1H5*        G 919  -9.496   0.543  15.681
  131   2H5*    G 919          2H5*        G 919  -9.866   0.364  13.955
  132    H4*    G 919           H4*        G 919  -7.907  -0.895  14.282
  133    H3*    G 919           H3*        G 919 -10.241  -2.351  13.642
  134    H2*    G 919           H2*        G 919  -9.934  -4.031  15.205
  135   2HO*    G 919          2HO*        G 919  -8.508  -4.613  13.204
  136    H1*    G 919           H1*        G 919  -7.084  -3.293  15.786
  137    H8     G 919           H8         G 919 -10.544  -3.245  17.600
  138    H1     G 919           H1         G 919  -5.946  -6.596  20.537
  139   1H2     G 919          1H2         G 919  -4.047  -6.438  19.414
  140   2H2     G 919          2H2         G 919  -3.902  -5.517  17.934
  141   1H5*    U 920          1H5*        U 920  -8.158   0.513  13.015
  142   2H5*    U 920          2H5*        U 920  -7.535   1.426  11.627
  143    H4*    U 920           H4*        U 920  -6.115   1.683  13.643
  144    H3*    U 920           H3*        U 920  -5.236   1.229  11.101
  145    H2*    U 920           H2*        U 920  -4.686  -1.031  11.229
  146   2HO*    U 920          2HO*        U 920  -2.569  -1.100  11.301
  147    H1*    U 920           H1*        U 920  -3.801  -0.910  14.083
  148    H3     U 920           H3         U 920  -4.254  -5.283  14.772
  149    H5     U 920           H5         U 920  -6.672  -4.628  11.382
  150    H6     U 920           H6         U 920  -6.208  -2.256  11.590
  151   1H5*    A 921          1H5*        A 921  -6.765   3.980  13.071
  152   2H5*    A 921          2H5*        A 921  -5.944   5.553  13.143
  153    H4*    A 921           H4*        A 921  -7.544   5.430  14.947
  154    H3*    A 921           H3*        A 921  -4.694   5.078  15.932
  155    H2*    A 921           H2*        A 921  -5.551   5.061  18.131
  156   2HO*    A 921          2HO*        A 921  -8.189   5.628  17.452
  157    H1*    A 921           H1*        A 921  -7.841   3.593  17.532
  158    H8     A 921           H8         A 921  -5.364   1.610  15.748
  159   1H6     A 921          1H6         A 921  -3.096  -0.392  21.137
  160   2H6     A 921          2H6         A 921  -3.118  -0.643  19.405
  161    H2     A 921           H2         A 921  -5.781   3.108  21.981
  162   1H5*    U 922          1H5*        U 922  -6.361   7.907  18.185
  163   2H5*    U 922          2H5*        U 922  -5.360   9.347  18.456
  164    H4*    U 922           H4*        U 922  -6.080   8.420  20.585
  165    H3*    U 922           H3*        U 922  -3.106   8.132  20.119
  166    H2*    U 922           H2*        U 922  -2.976   7.195  22.303
  167   2HO*    U 922          2HO*        U 922  -5.685   7.436  22.889
  168    H1*    U 922           H1*        U 922  -5.105   5.527  22.053
  169    H3     U 922           H3         U 922  -1.382   2.927  21.605
  170    H5     U 922           H5         U 922  -1.947   4.658  17.803
  171    H6     U 922           H6         U 922  -3.705   6.029  18.762
  172   1H5*    C 923          1H5*        C 923  -3.941   9.485  23.706
  173   2H5*    C 923          2H5*        C 923  -2.912  10.745  24.414
  174    H4*    C 923           H4*        C 923  -3.126   8.720  25.844
  175    H3*    C 923           H3*        C 923  -0.281   9.351  24.883
  176    H2*    C 923           H2*        C 923   0.383   7.562  26.308
  177   2HO*    C 923          2HO*        C 923  -1.466   6.553  27.594
  178    H1*    C 923           H1*        C 923  -1.671   5.859  25.642
  179   1H4     C 923          1H4         C 923   2.771   5.588  20.724
  180   2H4     C 923          2H4         C 923   3.236   4.328  21.844
  181    H5     C 923           H5         C 923   0.973   7.132  21.148
  182    H6     C 923           H6         C 923  -0.755   7.821  22.745
  183   1H5*    C 924          1H5*        C 924   0.080   8.786  28.747
  184   2H5*    C 924          2H5*        C 924   0.984  10.052  29.603
  185    H4*    C 924           H4*        C 924   1.991   7.898  30.071
  186    H3*    C 924           H3*        C 924   3.729   9.569  28.196
  187    H2*    C 924           H2*        C 924   5.344   7.829  28.390
  188   2HO*    C 924          2HO*        C 924   4.489   5.997  29.934
  189    H1*    C 924           H1*        C 924   3.550   5.759  28.165
  190   1H4     C 924          1H4         C 924   4.497   8.158  22.061
  191   2H4     C 924          2H4         C 924   5.684   6.889  22.257
  192    H5     C 924           H5         C 924   3.031   8.880  23.832
  193    H6     C 924           H6         C 924   2.395   8.547  26.177
  194   1H5*    U 925          1H5*        U 925   6.110   8.392  31.172
  195   2H5*    U 925          2H5*        U 925   7.297   9.595  31.713
  196    H4*    U 925           H4*        U 925   8.431   7.571  30.972
  197    H3*    U 925           H3*        U 925   8.812   9.905  29.015
  198    H2*    U 925           H2*        U 925  10.359   8.476  27.899
  199   2HO*    U 925          2HO*        U 925  10.406   6.241  29.284
  200    H1*    U 925           H1*        U 925   8.820   6.196  28.122
  201    H3     U 925           H3         U 925   8.860   7.356  23.710
  202    H5     U 925           H5         U 925   5.984   9.890  25.464
  203    H6     U 925           H6         U 925   6.671   9.055  27.639
  204   1H5*    U 926          1H5*        U 926  12.491   8.640  29.669
  205   2H5*    U 926          2H5*        U 926  13.659   9.926  30.028
  206    H4*    U 926           H4*        U 926  14.479   8.627  28.166
  207    H3*    U 926           H3*        U 926  13.560  11.412  27.208
  208    H2*    U 926           H2*        U 926  14.237  10.739  25.042
  209   2HO*    U 926          2HO*        U 926  15.773   9.299  24.686
  210    H1*    U 926           H1*        U 926  13.304   8.164  25.131
  211    H3     U 926           H3         U 926  10.505  10.326  22.263
  212    H5     U 926           H5         U 926   9.172  11.447  26.102
  213    H6     U 926           H6         U 926  11.118  10.333  27.031
  214   1H5*    C 927          1H5*        C 927  17.397  10.820  25.657
  215   2H5*    C 927          2H5*        C 927  18.410  12.263  25.857
  216    H4*    C 927           H4*        C 927  18.413  11.619  23.525
  217    H3*    C 927           H3*        C 927  16.651  14.072  23.929
  218    H2*    C 927           H2*        C 927  16.517  14.157  21.550
  219   2HO*    C 927          2HO*        C 927  18.060  13.424  20.298
  220    H1*    C 927           H1*        C 927  16.234  11.414  21.248
  221   1H4     C 927          1H4         C 927  10.319  13.960  22.860
  222   2H4     C 927          2H4         C 927  10.361  13.932  21.111
  223    H5     C 927           H5         C 927  12.195  13.328  24.235
  224    H6     C 927           H6         C 927  14.525  12.557  24.230
  225   1H5*    C 928          1H5*        C 928  19.367  14.889  21.006
  226   2H5*    C 928          2H5*        C 928  20.072  16.512  21.112
  227    H4*    C 928           H4*        C 928  19.240  16.169  18.877
  228    H3*    C 928           H3*        C 928  17.387  18.105  20.366
  229    H2*    C 928           H2*        C 928  16.348  18.367  18.226
  230   2HO*    C 928          2HO*        C 928  17.552  16.860  16.529
  231    H1*    C 928           H1*        C 928  16.345  15.694  17.602
  232   1H4     C 928          1H4         C 928  11.449  16.793  21.946
  233   2H4     C 928          2H4         C 928  10.723  16.974  20.365
  234    H5     C 928           H5         C 928  13.796  16.376  22.280
  235    H6     C 928           H6         C 928  15.966  16.096  21.176
  236   1H5*    C 929          1H5*        C 929  18.363  19.842  16.942
  237   2H5*    C 929          2H5*        C 929  18.862  21.539  17.081
  238    H4*    C 929           H4*        C 929  17.104  21.325  15.416
  239    H3*    C 929           H3*        C 929  16.149  22.635  17.980
  240    H2*    C 929           H2*        C 929  14.063  22.973  16.955
  241   2HO*    C 929          2HO*        C 929  13.783  23.147  14.808
  242    H1*    C 929           H1*        C 929  14.088  20.588  15.465
  243   1H4     C 929          1H4         C 929  11.412  19.368  21.415
  244   2H4     C 929          2H4         C 929  10.066  19.607  20.324
  245    H5     C 929           H5         C 929  13.715  19.630  20.745
  246    H6     C 929           H6         C 929  15.220  20.222  18.901
  247    H3T    C 929           H3T        C 929  17.499  24.001  17.024
  Start of MODEL    6
    1   1H5*    G 907          1H5*        G 907  -0.289  21.584  17.069
    2   2H5*    G 907          2H5*        G 907  -0.614  20.186  16.022
    3    H4*    G 907           H4*        G 907   0.995  21.659  14.952
    4    H3*    G 907           H3*        G 907   2.282  19.096  15.970
    5    H2*    G 907           H2*        G 907   4.291  19.856  14.955
    6   2HO*    G 907          2HO*        G 907   4.289  21.104  13.247
    7    H1*    G 907           H1*        G 907   4.036  22.479  15.758
    8    H8     G 907           H8         G 907   2.870  20.483  18.692
    9    H1     G 907           H1         G 907   9.239  20.339  18.058
   10   1H2     G 907          1H2         G 907   8.659  21.716  14.913
   11   2H2     G 907          2H2         G 907   9.828  21.141  16.079
   12    H5T    G 907           H5T        G 907  -0.284  19.292  17.951
   13   1H5*    G 908          1H5*        G 908   3.593  19.629  12.264
   14   2H5*    G 908          2H5*        G 908   3.554  18.197  11.218
   15    H4*    G 908           H4*        G 908   5.786  19.166  11.214
   16    H3*    G 908           H3*        G 908   5.666  16.525  12.747
   17    H2*    G 908           H2*        G 908   8.035  16.704  12.900
   18   2HO*    G 908          2HO*        G 908   7.705  18.489  10.731
   19    H1*    G 908           H1*        G 908   8.082  19.456  13.316
   20    H8     G 908           H8         G 908   5.361  17.963  15.470
   21    H1     G 908           H1         G 908  11.234  17.107  17.884
   22   1H2     G 908          1H2         G 908  12.338  18.225  14.772
   23   2H2     G 908          2H2         G 908  12.765  17.649  16.367
   24   1H5*    G 909          1H5*        G 909   8.746  16.272  10.184
   25   2H5*    G 909          2H5*        G 909   8.792  14.785   9.213
   26    H4*    G 909           H4*        G 909  10.935  15.115  10.306
   27    H3*    G 909           H3*        G 909   9.506  12.733  11.559
   28    H2*    G 909           H2*        G 909  11.347  12.520  13.004
   29   2HO*    G 909          2HO*        G 909  12.671  13.634  10.842
   30    H1*    G 909           H1*        G 909  11.976  15.255  13.189
   31    H8     G 909           H8         G 909   8.306  14.727  13.909
   32    H1     G 909           H1         G 909  12.072  13.397  18.916
   33   1H2     G 909          1H2         G 909  14.679  13.608  16.614
   34   2H2     G 909          2H2         G 909  14.194  13.325  18.271
   35   1H5*    G 910          1H5*        G 910  11.531   8.600  11.355
   36   2H5*    G 910          2H5*        G 910  10.871   9.819  12.463
   37    H4*    G 910           H4*        G 910  13.831   9.200  12.282
   38    H3*    G 910           H3*        G 910  11.728   7.928  14.102
   39    H2*    G 910           H2*        G 910  13.435   7.795  15.757
   40   2HO*    G 910          2HO*        G 910  15.395   8.772  13.980
   41    H1*    G 910           H1*        G 910  14.453  10.305  15.281
   42    H8     G 910           H8         G 910  10.828  10.951  15.002
   43    H1     G 910           H1         G 910  12.477   9.600  21.047
   44   1H2     G 910          1H2         G 910  15.497   8.545  19.662
   45   2H2     G 910          2H2         G 910  14.534   8.766  21.105
   46   1H5*    A 911          1H5*        A 911  14.684   5.670  14.817
   47   2H5*    A 911          2H5*        A 911  14.354   3.934  14.671
   48    H4*    A 911           H4*        A 911  15.243   4.391  16.870
   49    H3*    A 911           H3*        A 911  12.287   3.756  16.849
   50    H2*    A 911           H2*        A 911  12.339   3.848  19.206
   51   2HO*    A 911          2HO*        A 911  14.071   3.346  20.346
   52    H1*    A 911           H1*        A 911  14.130   5.975  19.412
   53    H8     A 911           H8         A 911  11.512   6.697  16.765
   54   1H6     A 911          1H6         A 911   7.829   8.593  21.344
   55   2H6     A 911          2H6         A 911   8.035   8.494  19.610
   56    H2     A 911           H2         A 911  11.455   6.685  23.193
   57   1H5*    G 912          1H5*        G 912  13.926   1.587  19.681
   58   2H5*    G 912          2H5*        G 912  13.728  -0.165  19.476
   59    H4*    G 912           H4*        G 912  13.159   0.433  21.747
   60    H3*    G 912           H3*        G 912  11.012  -0.625  19.997
   61    H2*    G 912           H2*        G 912   9.265   0.499  20.956
   62   2HO*    G 912          2HO*        G 912   9.239  -0.978  22.628
   63    H1*    G 912           H1*        G 912  10.769   2.011  22.970
   64    H8     G 912           H8         G 912  10.236   2.975  19.258
   65    H1     G 912           H1         G 912   6.456   5.999  23.452
   66   1H2     G 912          1H2         G 912   7.892   3.849  25.799
   67   2H2     G 912          2H2         G 912   6.755   5.140  25.489
   68   1H5*    U 913          1H5*        U 913  11.970  -1.559  24.428
   69   2H5*    U 913          2H5*        U 913  11.677  -3.276  24.761
   70    H4*    U 913           H4*        U 913  11.382  -2.029  26.804
   71    H3*    U 913           H3*        U 913   8.977  -3.372  25.643
   72    H2*    U 913           H2*        U 913   7.399  -2.084  26.714
   73   2HO*    U 913          2HO*        U 913   7.638  -1.402  28.794
   74    H1*    U 913           H1*        U 913   8.789   0.261  27.293
   75    H3     U 913           H3         U 913   6.258   2.583  24.460
   76    H5     U 913           H5         U 913   6.995  -0.968  22.308
   77    H6     U 913           H6         U 913   8.289  -1.765  24.201
   78   1H5*    G 914          1H5*        G 914   5.884  -5.041  28.467
   79   2H5*    G 914          2H5*        G 914   6.252  -3.907  27.150
   80    H4*    G 914           H4*        G 914   5.475  -3.064  29.961
   81    H3*    G 914           H3*        G 914   3.711  -3.442  27.504
   82    H2*    G 914           H2*        G 914   2.516  -1.531  28.176
   83   2HO*    G 914          2HO*        G 914   2.040  -1.307  30.202
   84    H1*    G 914           H1*        G 914   4.677  -0.144  29.319
   85    H8     G 914           H8         G 914   5.652  -1.262  25.858
   86    H1     G 914           H1         G 914   1.818   3.870  25.886
   87   1H2     G 914          1H2         G 914   1.382   3.125  29.265
   88   2H2     G 914          2H2         G 914   0.987   4.179  27.927
   89   1H5*    G 915          1H5*        G 915   1.339  -2.882  30.868
   90   2H5*    G 915          2H5*        G 915   0.004  -4.047  30.964
   91    H4*    G 915           H4*        G 915  -0.884  -1.835  31.288
   92    H3*    G 915           H3*        G 915  -1.484  -2.875  28.535
   93    H2*    G 915           H2*        G 915  -2.866  -0.972  28.255
   94   2HO*    G 915          2HO*        G 915  -2.739  -0.825  31.088
   95    H1*    G 915           H1*        G 915  -1.146   0.764  29.639
   96    H8     G 915           H8         G 915   0.727  -1.415  27.142
   97    H1     G 915           H1         G 915  -2.160   3.643  24.471
   98   1H2     G 915          1H2         G 915  -3.635   4.064  27.601
   99   2H2     G 915          2H2         G 915  -3.473   4.641  25.958
  100   1H5*    U 916          1H5*        U 916  -4.831  -1.593  30.339
  101   2H5*    U 916          2H5*        U 916  -6.242  -2.658  30.196
  102    H4*    U 916           H4*        U 916  -6.873  -0.426  29.523
  103    H3*    U 916           H3*        U 916  -6.672  -2.337  27.146
  104    H2*    U 916           H2*        U 916  -7.250  -0.554  25.710
  105   2HO*    U 916          2HO*        U 916  -8.711   0.221  27.833
  106    H1*    U 916           H1*        U 916  -5.915   1.464  27.071
  107    H3     U 916           H3         U 916  -3.490   1.339  23.274
  108    H5     U 916           H5         U 916  -2.635  -2.358  25.110
  109    H6     U 916           H6         U 916  -4.276  -1.816  26.814
  110   1H5*    U 917          1H5*        U 917 -10.314   0.041  26.931
  111   2H5*    U 917          2H5*        U 917 -11.634  -1.134  27.091
  112    H4*    U 917           H4*        U 917 -12.653  -0.070  25.407
  113    H3*    U 917           H3*        U 917 -11.033  -1.871  23.997
  114    H2*    U 917           H2*        U 917  -9.380  -0.346  23.340
  115   2HO*    U 917          2HO*        U 917  -9.777  -0.220  21.281
  116    H1*    U 917           H1*        U 917 -11.334   1.927  23.096
  117    H3     U 917           H3         U 917  -7.645   4.331  22.057
  118    H5     U 917           H5         U 917  -6.759   2.684  25.837
  119    H6     U 917           H6         U 917  -8.827   1.423  25.697
  120   1H5*    U 918          1H5*        U 918 -11.595   0.172  20.917
  121   2H5*    U 918          2H5*        U 918 -12.638  -0.472  19.631
  122    H4*    U 918           H4*        U 918 -10.538   0.212  18.629
  123    H3*    U 918           H3*        U 918 -11.637  -2.189  18.353
  124    H2*    U 918           H2*        U 918 -10.211  -3.467  19.717
  125   2HO*    U 918          2HO*        U 918  -9.583  -4.428  17.878
  126    H1*    U 918           H1*        U 918  -7.802  -1.763  19.119
  127    H3     U 918           H3         U 918  -5.456  -3.226  22.558
  128    H5     U 918           H5         U 918  -9.399  -3.403  24.050
  129    H6     U 918           H6         U 918 -10.172  -2.559  21.903
  130   1H5*    G 919          1H5*        G 919  -7.925  -1.104  17.186
  131   2H5*    G 919          2H5*        G 919  -7.139  -1.206  15.598
  132    H4*    G 919           H4*        G 919  -5.875  -1.431  18.035
  133    H3*    G 919           H3*        G 919  -5.021  -1.175  15.459
  134    H2*    G 919           H2*        G 919  -5.609  -3.399  14.822
  135   2HO*    G 919          2HO*        G 919  -3.586  -3.526  14.169
  136    H1*    G 919           H1*        G 919  -4.398  -4.603  17.297
  137    H8     G 919           H8         G 919  -8.103  -4.592  16.223
  138    H1     G 919           H1         G 919  -5.091 -10.157  15.236
  139   1H2     G 919          1H2         G 919  -2.952  -9.975  15.769
  140   2H2     G 919          2H2         G 919  -2.254  -8.487  16.362
  141   1H5*    U 920          1H5*        U 920  -3.633  -1.610  13.787
  142   2H5*    U 920          2H5*        U 920  -2.607  -0.377  13.029
  143    H4*    U 920           H4*        U 920  -4.940  -0.080  12.357
  144    H3*    U 920           H3*        U 920  -3.961   1.858  14.525
  145    H2*    U 920           H2*        U 920  -5.991   3.040  14.532
  146   2HO*    U 920          2HO*        U 920  -5.782   2.838  11.922
  147    H1*    U 920           H1*        U 920  -7.460   0.758  13.568
  148    H3     U 920           H3         U 920 -10.041   1.722  17.096
  149    H5     U 920           H5         U 920  -6.212   1.315  18.812
  150    H6     U 920           H6         U 920  -5.322   0.958  16.583
  151   1H5*    A 921          1H5*        A 921  -5.339   4.660  13.188
  152   2H5*    A 921          2H5*        A 921  -4.502   6.190  13.522
  153    H4*    A 921           H4*        A 921  -6.489   5.830  14.969
  154    H3*    A 921           H3*        A 921  -3.810   5.918  16.490
  155    H2*    A 921           H2*        A 921  -5.145   5.828  18.473
  156   2HO*    A 921          2HO*        A 921  -7.607   5.746  17.214
  157    H1*    A 921           H1*        A 921  -6.779   3.838  17.593
  158    H8     A 921           H8         A 921  -3.231   3.393  16.219
  159   1H6     A 921          1H6         A 921  -1.994   0.365  21.462
  160   2H6     A 921          2H6         A 921  -1.395   0.792  19.874
  161    H2     A 921           H2         A 921  -6.085   2.178  21.844
  162   1H5*    U 922          1H5*        U 922  -6.110   8.351  18.458
  163   2H5*    U 922          2H5*        U 922  -5.354   9.852  19.025
  164    H4*    U 922           H4*        U 922  -6.260   8.606  20.909
  165    H3*    U 922           H3*        U 922  -3.227   8.652  20.887
  166    H2*    U 922           H2*        U 922  -3.340   7.547  22.993
  167   2HO*    U 922          2HO*        U 922  -6.164   7.716  23.023
  168    H1*    U 922           H1*        U 922  -5.258   5.744  22.267
  169    H3     U 922           H3         U 922  -1.312   3.453  22.381
  170    H5     U 922           H5         U 922  -1.303   5.424  18.655
  171    H6     U 922           H6         U 922  -3.317   6.591  19.342
  172   1H5*    C 923          1H5*        C 923  -4.639   9.627  24.437
  173   2H5*    C 923          2H5*        C 923  -3.808  10.916  25.331
  174    H4*    C 923           H4*        C 923  -3.970   8.810  26.622
  175    H3*    C 923           H3*        C 923  -1.129   9.657  25.897
  176    H2*    C 923           H2*        C 923  -0.423   7.852  27.268
  177   2HO*    C 923          2HO*        C 923  -2.214   6.685  28.465
  178    H1*    C 923           H1*        C 923  -2.403   6.078  26.464
  179   1H4     C 923          1H4         C 923   2.447   5.926  21.941
  180   2H4     C 923          2H4         C 923   2.812   4.636  23.066
  181    H5     C 923           H5         C 923   0.613   7.457  22.238
  182    H6     C 923           H6         C 923  -1.252   8.108  23.691
  183   1H5*    C 924          1H5*        C 924   1.918  11.088  29.099
  184   2H5*    C 924          2H5*        C 924   1.638  10.467  27.460
  185    H4*    C 924           H4*        C 924   1.901   8.633  29.852
  186    H3*    C 924           H3*        C 924   4.109   9.857  28.148
  187    H2*    C 924           H2*        C 924   5.239   7.777  28.178
  188   2HO*    C 924          2HO*        C 924   3.424   7.051  30.254
  189    H1*    C 924           H1*        C 924   3.038   6.184  27.808
  190   1H4     C 924          1H4         C 924   4.415   8.801  21.884
  191   2H4     C 924          2H4         C 924   5.464   7.408  22.015
  192    H5     C 924           H5         C 924   3.009   9.569  23.684
  193    H6     C 924           H6         C 924   2.313   9.173  26.002
  194   1H5*    U 925          1H5*        U 925   6.165   8.030  30.942
  195   2H5*    U 925          2H5*        U 925   7.482   8.991  31.643
  196    H4*    U 925           H4*        U 925   8.391   6.967  30.666
  197    H3*    U 925           H3*        U 925   8.990   9.464  29.019
  198    H2*    U 925           H2*        U 925  10.366   8.083  27.663
  199   2HO*    U 925          2HO*        U 925  10.046   5.850  29.355
  200    H1*    U 925           H1*        U 925   8.656   5.900  27.671
  201    H3     U 925           H3         U 925   8.745   7.502  23.401
  202    H5     U 925           H5         U 925   6.131  10.086  25.466
  203    H6     U 925           H6         U 925   6.765   8.973  27.529
  204   1H5*    U 926          1H5*        U 926  12.478   7.713  29.405
  205   2H5*    U 926          2H5*        U 926  13.803   8.771  29.928
  206    H4*    U 926           H4*        U 926  14.449   7.653  27.884
  207    H3*    U 926           H3*        U 926  13.963  10.629  27.420
  208    H2*    U 926           H2*        U 926  14.423  10.275  25.158
  209   2HO*    U 926          2HO*        U 926  16.025   9.028  24.631
  210    H1*    U 926           H1*        U 926  13.358   7.711  24.882
  211    H3     U 926           H3         U 926  10.829  10.255  22.094
  212    H5     U 926           H5         U 926   9.482  11.277  25.956
  213    H6     U 926           H6         U 926  11.291   9.940  26.868
  214   1H5*    C 927          1H5*        C 927  17.351  13.320  26.375
  215   2H5*    C 927          2H5*        C 927  15.728  12.789  25.892
  216    H4*    C 927           H4*        C 927  18.253  12.318  24.269
  217    H3*    C 927           H3*        C 927  16.177  14.516  24.009
  218    H2*    C 927           H2*        C 927  16.490  14.402  21.655
  219   2HO*    C 927          2HO*        C 927  18.756  12.756  22.216
  220    H1*    C 927           H1*        C 927  16.529  11.665  21.492
  221   1H4     C 927          1H4         C 927  10.197  13.481  22.296
  222   2H4     C 927          2H4         C 927  10.479  13.543  20.570
  223    H5     C 927           H5         C 927  11.932  13.005  23.900
  224    H6     C 927           H6         C 927  14.317  12.511  24.199
  225   1H5*    C 928          1H5*        C 928  19.173  15.443  21.574
  226   2H5*    C 928          2H5*        C 928  19.733  17.122  21.669
  227    H4*    C 928           H4*        C 928  19.240  16.569  19.366
  228    H3*    C 928           H3*        C 928  17.127  18.472  20.537
  229    H2*    C 928           H2*        C 928  16.288  18.572  18.298
  230   2HO*    C 928          2HO*        C 928  18.863  17.735  17.685
  231    H1*    C 928           H1*        C 928  16.464  15.885  17.815
  232   1H4     C 928          1H4         C 928  11.201  16.887  21.730
  233   2H4     C 928          2H4         C 928  10.593  16.998  20.094
  234    H5     C 928           H5         C 928  13.531  16.585  22.255
  235    H6     C 928           H6         C 928  15.791  16.375  21.328
  236   1H5*    C 929          1H5*        C 929  18.271  20.113  17.154
  237   2H5*    C 929          2H5*        C 929  18.692  21.832  17.259
  238    H4*    C 929           H4*        C 929  17.073  21.480  15.479
  239    H3*    C 929           H3*        C 929  15.904  22.841  17.923
  240    H2*    C 929           H2*        C 929  13.872  23.058  16.776
  241   2HO*    C 929          2HO*        C 929  13.755  23.362  14.674
  242    H1*    C 929           H1*        C 929  14.092  20.641  15.344
  243   1H4     C 929          1H4         C 929  11.034  19.434  21.109
  244   2H4     C 929          2H4         C 929   9.758  19.655  19.933
  245    H5     C 929           H5         C 929  13.371  19.719  20.586
  246    H6     C 929           H6         C 929  14.984  20.325  18.840
  247    H3T    C 929           H3T        C 929  16.402  24.647  16.805
  Start of MODEL    7
    1   1H5*    G 907          1H5*        G 907  -1.403  20.096  17.297
    2   2H5*    G 907          2H5*        G 907  -1.685  18.740  16.185
    3    H4*    G 907           H4*        G 907  -0.224  20.380  15.141
    4    H3*    G 907           H3*        G 907   1.256  17.853  15.946
    5    H2*    G 907           H2*        G 907   3.171  18.784  14.915
    6   2HO*    G 907          2HO*        G 907   1.283  20.126  13.441
    7    H1*    G 907           H1*        G 907   2.756  21.372  15.813
    8    H8     G 907           H8         G 907   1.977  19.314  18.792
    9    H1     G 907           H1         G 907   8.264  19.406  17.586
   10   1H2     G 907          1H2         G 907   7.351  20.744  14.503
   11   2H2     G 907          2H2         G 907   8.642  20.219  15.559
   12    H5T    G 907           H5T        G 907  -0.950  17.503  17.683
   13   1H5*    G 908          1H5*        G 908   2.354  18.701  12.247
   14   2H5*    G 908          2H5*        G 908   2.306  17.352  11.097
   15    H4*    G 908           H4*        G 908   4.495  18.397  11.034
   16    H3*    G 908           H3*        G 908   4.551  15.659  12.323
   17    H2*    G 908           H2*        G 908   6.888  15.916  12.478
   18   2HO*    G 908          2HO*        G 908   7.064  16.641  10.245
   19    H1*    G 908           H1*        G 908   6.892  18.682  12.966
   20    H8     G 908           H8         G 908   4.432  16.942  15.257
   21    H1     G 908           H1         G 908  10.509  16.431  17.217
   22   1H2     G 908          1H2         G 908  11.304  17.727  14.078
   23   2H2     G 908          2H2         G 908  11.885  17.129  15.615
   24   1H5*    G 909          1H5*        G 909   6.719  12.189  10.338
   25   2H5*    G 909          2H5*        G 909   6.502  13.099  11.850
   26    H4*    G 909           H4*        G 909   9.002  13.381  10.176
   27    H3*    G 909           H3*        G 909   8.388  11.141  12.100
   28    H2*    G 909           H2*        G 909  10.420  11.432  13.213
   29   2HO*    G 909          2HO*        G 909  12.052  11.515  11.892
   30    H1*    G 909           H1*        G 909  10.735  14.180  12.935
   31    H8     G 909           H8         G 909   7.223  13.765  14.107
   32    H1     G 909           H1         G 909  11.468  12.751  18.794
   33   1H2     G 909          1H2         G 909  13.816  12.645  16.223
   34   2H2     G 909          2H2         G 909  13.503  12.529  17.940
   35   1H5*    G 910          1H5*        G 910  10.720   7.271  11.962
   36   2H5*    G 910          2H5*        G 910  10.059   8.536  13.015
   37    H4*    G 910           H4*        G 910  13.028   8.174  12.531
   38    H3*    G 910           H3*        G 910  11.237   6.966  14.700
   39    H2*    G 910           H2*        G 910  13.080   7.182  16.195
   40   2HO*    G 910          2HO*        G 910  14.527   7.186  13.830
   41    H1*    G 910           H1*        G 910  13.806   9.692  15.361
   42    H8     G 910           H8         G 910  10.151  10.059  15.274
   43    H1     G 910           H1         G 910  12.221   9.379  21.300
   44   1H2     G 910          1H2         G 910  15.221   8.384  19.830
   45   2H2     G 910          2H2         G 910  14.329   8.680  21.304
   46   1H5*    A 911          1H5*        A 911  14.439   5.053  15.415
   47   2H5*    A 911          2H5*        A 911  14.249   3.290  15.456
   48    H4*    A 911           H4*        A 911  15.266   4.012  17.519
   49    H3*    A 911           H3*        A 911  12.365   3.168  17.806
   50    H2*    A 911           H2*        A 911  12.595   3.498  20.134
   51   2HO*    A 911          2HO*        A 911  14.426   3.158  21.139
   52    H1*    A 911           H1*        A 911  14.175   5.777  20.001
   53    H8     A 911           H8         A 911  11.389   5.997  17.438
   54   1H6     A 911          1H6         A 911   7.749   8.020  21.999
   55   2H6     A 911          2H6         A 911   7.888   7.765  20.273
   56    H2     A 911           H2         A 911  11.610   6.627  23.832
   57   1H5*    G 912          1H5*        G 912  14.331   1.348  20.699
   58   2H5*    G 912          2H5*        G 912  14.248  -0.424  20.611
   59    H4*    G 912           H4*        G 912  13.763   0.259  22.871
   60    H3*    G 912           H3*        G 912  11.577  -0.976  21.278
   61    H2*    G 912           H2*        G 912   9.825   0.073  22.311
   62   2HO*    G 912          2HO*        G 912  11.245  -0.464  24.722
   63    H1*    G 912           H1*        G 912  11.350   1.774  24.145
   64    H8     G 912           H8         G 912  10.564   2.484  20.418
   65    H1     G 912           H1         G 912   6.869   5.567  24.645
   66   1H2     G 912          1H2         G 912   8.549   3.642  27.025
   67   2H2     G 912          2H2         G 912   7.330   4.853  26.708
   68   1H5*    U 913          1H5*        U 913  12.612  -1.630  25.690
   69   2H5*    U 913          2H5*        U 913  12.352  -3.303  26.217
   70    H4*    U 913           H4*        U 913  11.937  -1.801  28.071
   71    H3*    U 913           H3*        U 913   9.623  -3.396  27.010
   72    H2*    U 913           H2*        U 913   7.970  -2.072  27.920
   73   2HO*    U 913          2HO*        U 913   8.109  -1.774  29.984
   74    H1*    U 913           H1*        U 913   9.241   0.389  28.201
   75    H3     U 913           H3         U 913   6.740   2.236  25.009
   76    H5     U 913           H5         U 913   7.508  -1.604  23.447
   77    H6     U 913           H6         U 913   8.805  -2.083  25.444
   78   1H5*    G 914          1H5*        G 914   6.511  -4.843  30.010
   79   2H5*    G 914          2H5*        G 914   6.889  -3.879  28.566
   80    H4*    G 914           H4*        G 914   6.067  -2.697  31.238
   81    H3*    G 914           H3*        G 914   4.309  -3.310  28.810
   82    H2*    G 914           H2*        G 914   3.116  -1.343  29.345
   83   2HO*    G 914          2HO*        G 914   4.377  -1.343  31.899
   84    H1*    G 914           H1*        G 914   5.314   0.109  30.320
   85    H8     G 914           H8         G 914   6.140  -1.371  26.940
   86    H1     G 914           H1         G 914   2.555   3.929  26.625
   87   1H2     G 914          1H2         G 914   2.215   3.516  30.072
   88   2H2     G 914          2H2         G 914   1.821   4.464  28.656
   89   1H5*    G 915          1H5*        G 915   1.873  -2.406  31.970
   90   2H5*    G 915          2H5*        G 915   0.507  -3.527  32.146
   91    H4*    G 915           H4*        G 915  -0.327  -1.263  32.176
   92    H3*    G 915           H3*        G 915  -0.899  -2.573  29.513
   93    H2*    G 915           H2*        G 915  -2.223  -0.669  29.035
   94   2HO*    G 915          2HO*        G 915  -2.335  -0.499  31.823
   95    H1*    G 915           H1*        G 915  -0.483   1.127  30.338
   96    H8     G 915           H8         G 915   1.431  -1.187  28.026
   97    H1     G 915           H1         G 915  -1.506   3.601  24.943
   98   1H2     G 915          1H2         G 915  -3.048   4.217  28.008
   99   2H2     G 915          2H2         G 915  -2.866   4.676  26.331
  100   1H5*    U 916          1H5*        U 916  -4.333  -1.085  30.848
  101   2H5*    U 916          2H5*        U 916  -5.658  -2.263  30.868
  102    H4*    U 916           H4*        U 916  -6.424  -0.260  29.767
  103    H3*    U 916           H3*        U 916  -5.889  -2.557  27.822
  104    H2*    U 916           H2*        U 916  -6.480  -1.174  26.019
  105   2HO*    U 916          2HO*        U 916  -8.247  -0.207  27.810
  106    H1*    U 916           H1*        U 916  -5.596   1.256  27.121
  107    H3     U 916           H3         U 916  -3.042   0.978  23.402
  108    H5     U 916           H5         U 916  -1.588  -2.124  25.856
  109    H6     U 916           H6         U 916  -3.388  -1.648  27.412
  110   1H5*    U 917          1H5*        U 917  -9.107  -1.046  26.409
  111   2H5*    U 917          2H5*        U 917 -10.493  -2.147  26.265
  112    H4*    U 917           H4*        U 917 -10.163  -1.010  24.154
  113    H3*    U 917           H3*        U 917 -10.041  -3.768  24.462
  114    H2*    U 917           H2*        U 917  -7.985  -4.239  23.555
  115   2HO*    U 917          2HO*        U 917  -8.632  -4.909  21.662
  116    H1*    U 917           H1*        U 917  -7.824  -1.683  22.002
  117    H3     U 917           H3         U 917  -3.383  -1.917  21.696
  118    H5     U 917           H5         U 917  -4.142  -3.811  25.386
  119    H6     U 917           H6         U 917  -6.506  -3.383  25.041
  120   1H5*    U 918          1H5*        U 918  -8.985  -3.872  19.923
  121   2H5*    U 918          2H5*        U 918  -9.588  -2.355  20.620
  122    H4*    U 918           H4*        U 918 -10.170  -3.380  17.804
  123    H3*    U 918           H3*        U 918  -7.896  -2.339  18.575
  124    H2*    U 918           H2*        U 918  -8.520  -0.103  18.923
  125   2HO*    U 918          2HO*        U 918  -7.438   0.144  16.992
  126    H1*    U 918           H1*        U 918 -10.853  -0.172  17.049
  127    H3     U 918           H3         U 918 -12.761   3.345  18.913
  128    H5     U 918           H5         U 918 -11.058   1.402  22.248
  129    H6     U 918           H6         U 918 -10.194  -0.292  20.730
  130   1H5*    G 919          1H5*        G 919  -6.867  -1.383  13.440
  131   2H5*    G 919          2H5*        G 919  -5.634  -0.255  14.039
  132    H4*    G 919           H4*        G 919  -6.952   1.115  12.710
  133    H3*    G 919           H3*        G 919  -6.930   1.722  15.378
  134    H2*    G 919           H2*        G 919  -9.067   0.813  15.867
  135   2HO*    G 919          2HO*        G 919  -9.230   3.454  15.018
  136    H1*    G 919           H1*        G 919 -10.224   1.678  13.226
  137    H8     G 919           H8         G 919  -9.684  -1.765  14.967
  138    H1     G 919           H1         G 919 -15.801  -0.090  14.093
  139   1H2     G 919          1H2         G 919 -15.922   1.887  13.108
  140   2H2     G 919          2H2         G 919 -14.501   2.807  12.668
  141   1H5*    U 920          1H5*        U 920  -4.184   3.365  12.377
  142   2H5*    U 920          2H5*        U 920  -5.108   1.852  12.455
  143    H4*    U 920           H4*        U 920  -3.249   1.276  14.300
  144    H3*    U 920           H3*        U 920  -2.061   3.277  12.319
  145    H2*    U 920           H2*        U 920  -0.048   2.054  12.229
  146   2HO*    U 920          2HO*        U 920  -0.673   0.328  14.328
  147    H1*    U 920           H1*        U 920  -1.267  -0.457  12.544
  148    H3     U 920           H3         U 920   1.213   0.700   8.617
  149    H5     U 920           H5         U 920  -2.912   0.598   7.756
  150    H6     U 920           H6         U 920  -3.340   0.466  10.141
  151   1H5*    A 921          1H5*        A 921  -3.270   5.424  13.655
  152   2H5*    A 921          2H5*        A 921  -3.191   7.076  14.305
  153    H4*    A 921           H4*        A 921  -5.138   5.969  15.213
  154    H3*    A 921           H3*        A 921  -2.935   6.214  17.294
  155    H2*    A 921           H2*        A 921  -4.456   5.302  18.849
  156   2HO*    A 921          2HO*        A 921  -6.256   6.590  17.383
  157    H1*    A 921           H1*        A 921  -5.596   3.459  17.103
  158    H8     A 921           H8         A 921  -2.049   2.963  16.367
  159   1H6     A 921          1H6         A 921  -1.348   0.157  21.828
  160   2H6     A 921          2H6         A 921  -0.622   0.462  20.267
  161    H2     A 921           H2         A 921  -5.329   2.235  21.843
  162   1H5*    U 922          1H5*        U 922  -5.731   8.255  19.273
  163   2H5*    U 922          2H5*        U 922  -5.113   9.787  19.919
  164    H4*    U 922           H4*        U 922  -5.848   8.417  21.759
  165    H3*    U 922           H3*        U 922  -2.822   8.530  21.584
  166    H2*    U 922           H2*        U 922  -2.792   7.333  23.638
  167   2HO*    U 922          2HO*        U 922  -5.330   6.957  24.265
  168    H1*    U 922           H1*        U 922  -4.787   5.567  22.956
  169    H3     U 922           H3         U 922  -0.886   3.195  22.919
  170    H5     U 922           H5         U 922  -0.924   5.260  19.245
  171    H6     U 922           H6         U 922  -2.897   6.450  20.008
  172   1H5*    C 923          1H5*        C 923  -3.928   9.476  25.304
  173   2H5*    C 923          2H5*        C 923  -3.044  10.818  26.054
  174    H4*    C 923           H4*        C 923  -2.963   8.807  27.452
  175    H3*    C 923           H3*        C 923  -0.225   9.493  26.239
  176    H2*    C 923           H2*        C 923   0.604   7.772  27.655
  177   2HO*    C 923          2HO*        C 923  -1.685   7.086  28.971
  178    H1*    C 923           H1*        C 923  -1.552   6.055  27.278
  179   1H4     C 923          1H4         C 923   2.642   5.239  22.204
  180   2H4     C 923          2H4         C 923   3.101   4.037  23.389
  181    H5     C 923           H5         C 923   0.935   6.891  22.593
  182    H6     C 923           H6         C 923  -0.688   7.768  24.208
  183   1H5*    C 924          1H5*        C 924   0.504   9.016  30.011
  184   2H5*    C 924          2H5*        C 924   1.485  10.286  30.768
  185    H4*    C 924           H4*        C 924   2.538   8.131  31.128
  186    H3*    C 924           H3*        C 924   4.086   9.784  29.080
  187    H2*    C 924           H2*        C 924   5.708   8.045  29.150
  188   2HO*    C 924          2HO*        C 924   4.553   6.427  31.029
  189    H1*    C 924           H1*        C 924   3.877   5.974  29.186
  190   1H4     C 924          1H4         C 924   4.406   8.037  22.911
  191   2H4     C 924          2H4         C 924   5.574   6.746  23.082
  192    H5     C 924           H5         C 924   3.096   8.883  24.747
  193    H6     C 924           H6         C 924   2.633   8.686  27.147
  194   1H5*    U 925          1H5*        U 925   6.692   8.607  31.817
  195   2H5*    U 925          2H5*        U 925   7.938   9.792  32.260
  196    H4*    U 925           H4*        U 925   8.968   7.745  31.421
  197    H3*    U 925           H3*        U 925   9.237  10.075  29.452
  198    H2*    U 925           H2*        U 925  10.650   8.633  28.204
  199   2HO*    U 925          2HO*        U 925  10.831   7.212  30.643
  200    H1*    U 925           H1*        U 925   9.134   6.342  28.628
  201    H3     U 925           H3         U 925   8.910   7.295  24.172
  202    H5     U 925           H5         U 925   6.168   9.938  25.980
  203    H6     U 925           H6         U 925   6.983   9.198  28.145
  204   1H5*    U 926          1H5*        U 926  12.840   8.639  29.841
  205   2H5*    U 926          2H5*        U 926  14.126   9.829  30.120
  206    H4*    U 926           H4*        U 926  14.697   8.465  28.202
  207    H3*    U 926           H3*        U 926  14.041  11.333  27.405
  208    H2*    U 926           H2*        U 926  14.357  10.716  25.178
  209   2HO*    U 926          2HO*        U 926  15.735   9.162  24.552
  210    H1*    U 926           H1*        U 926  13.432   8.082  25.303
  211    H3     U 926           H3         U 926  10.621  10.127  22.369
  212    H5     U 926           H5         U 926   9.407  11.536  26.151
  213    H6     U 926           H6         U 926  11.340  10.426  27.113
  214   1H5*    C 927          1H5*        C 927  17.201  13.990  25.806
  215   2H5*    C 927          2H5*        C 927  15.584  13.331  25.498
  216    H4*    C 927           H4*        C 927  18.027  12.782  23.779
  217    H3*    C 927           H3*        C 927  15.814  14.835  23.412
  218    H2*    C 927           H2*        C 927  15.972  14.455  21.069
  219   2HO*    C 927          2HO*        C 927  17.676  13.134  20.208
  220    H1*    C 927           H1*        C 927  16.139  11.727  21.220
  221   1H4     C 927          1H4         C 927   9.800  13.329  22.356
  222   2H4     C 927          2H4         C 927   9.946  13.245  20.614
  223    H5     C 927           H5         C 927  11.678  13.085  23.849
  224    H6     C 927           H6         C 927  14.101  12.733  23.994
  225   1H5*    C 928          1H5*        C 928  18.596  15.656  20.667
  226   2H5*    C 928          2H5*        C 928  19.050  17.367  20.561
  227    H4*    C 928           H4*        C 928  18.455  16.562  18.361
  228    H3*    C 928           H3*        C 928  16.271  18.434  19.478
  229    H2*    C 928           H2*        C 928  15.315  18.252  17.290
  230   2HO*    C 928          2HO*        C 928  16.992  16.593  16.034
  231    H1*    C 928           H1*        C 928  15.645  15.548  17.070
  232   1H4     C 928          1H4         C 928  10.574  16.611  21.216
  233   2H4     C 928          2H4         C 928   9.861  16.525  19.621
  234    H5     C 928           H5         C 928  12.947  16.500  21.610
  235    H6     C 928           H6         C 928  15.154  16.338  20.558
  236   1H5*    C 929          1H5*        C 929  17.131  19.878  15.884
  237   2H5*    C 929          2H5*        C 929  17.427  21.626  15.856
  238    H4*    C 929           H4*        C 929  15.761  21.055  14.187
  239    H3*    C 929           H3*        C 929  14.569  22.462  16.604
  240    H2*    C 929           H2*        C 929  12.495  22.460  15.490
  241   2HO*    C 929          2HO*        C 929  13.216  23.225  13.473
  242    H1*    C 929           H1*        C 929  12.822  19.952  14.289
  243   1H4     C 929          1H4         C 929  10.298  19.045  20.359
  244   2H4     C 929          2H4         C 929   8.925  19.080  19.277
  245    H5     C 929           H5         C 929  12.564  19.440  19.629
  246    H6     C 929           H6         C 929  13.992  20.000  17.716
  247    H3T    C 929           H3T        C 929  15.015  23.419  13.969
  Start of MODEL    8
    1   1H5*    G 907          1H5*        G 907  -1.002  20.494  17.335
    2   2H5*    G 907          2H5*        G 907  -1.298  19.159  16.202
    3    H4*    G 907           H4*        G 907   0.203  20.786  15.194
    4    H3*    G 907           H3*        G 907   1.628  18.220  15.977
    5    H2*    G 907           H2*        G 907   3.569  19.131  14.975
    6   2HO*    G 907          2HO*        G 907   1.725  20.852  13.701
    7    H1*    G 907           H1*        G 907   3.192  21.714  15.905
    8    H8     G 907           H8         G 907   2.352  19.631  18.849
    9    H1     G 907           H1         G 907   8.650  19.625  17.697
   10   1H2     G 907          1H2         G 907   7.788  21.021  14.625
   11   2H2     G 907          2H2         G 907   9.059  20.460  15.685
   12    H5T    G 907           H5T        G 907  -0.433  17.837  17.564
   13   1H5*    G 908          1H5*        G 908   2.764  19.109  12.296
   14   2H5*    G 908          2H5*        G 908   2.706  17.779  11.122
   15    H4*    G 908           H4*        G 908   4.909  18.798  11.093
   16    H3*    G 908           H3*        G 908   4.924  16.031  12.326
   17    H2*    G 908           H2*        G 908   7.262  16.259  12.497
   18   2HO*    G 908          2HO*        G 908   8.440  17.631  11.222
   19    H1*    G 908           H1*        G 908   7.297  19.011  13.051
   20    H8     G 908           H8         G 908   4.792  17.255  15.280
   21    H1     G 908           H1         G 908  10.845  16.608  17.277
   22   1H2     G 908          1H2         G 908  11.685  17.964  14.177
   23   2H2     G 908          2H2         G 908  12.244  17.321  15.704
   24   1H5*    G 909          1H5*        G 909   7.043  12.574  10.254
   25   2H5*    G 909          2H5*        G 909   6.846  13.441  11.792
   26    H4*    G 909           H4*        G 909   9.346  13.720  10.115
   27    H3*    G 909           H3*        G 909   8.700  11.453  11.994
   28    H2*    G 909           H2*        G 909  10.742  11.685  13.104
   29   2HO*    G 909          2HO*        G 909  11.638  13.128  10.811
   30    H1*    G 909           H1*        G 909  11.104  14.432  12.879
   31    H8     G 909           H8         G 909   7.600  14.103  14.067
   32    H1     G 909           H1         G 909  11.830  12.792  18.695
   33   1H2     G 909          1H2         G 909  14.156  12.669  16.105
   34   2H2     G 909          2H2         G 909  13.851  12.514  17.820
   35   1H5*    G 910          1H5*        G 910  10.909   7.517  11.740
   36   2H5*    G 910          2H5*        G 910  10.259   8.763  12.824
   37    H4*    G 910           H4*        G 910  13.227   8.353  12.368
   38    H3*    G 910           H3*        G 910  11.375   7.132  14.472
   39    H2*    G 910           H2*        G 910  13.197   7.255  16.003
   40   2HO*    G 910          2HO*        G 910  15.297   7.691  15.340
   41    H1*    G 910           H1*        G 910  14.006   9.767  15.242
   42    H8     G 910           H8         G 910  10.351  10.204  15.137
   43    H1     G 910           H1         G 910  12.389   9.404  21.160
   44   1H2     G 910          1H2         G 910  15.379   8.386  19.687
   45   2H2     G 910          2H2         G 910  14.486   8.673  21.162
   46   1H5*    A 911          1H5*        A 911  14.461   5.078  15.208
   47   2H5*    A 911          2H5*        A 911  14.199   3.324  15.222
   48    H4*    A 911           H4*        A 911  15.165   3.997  17.331
   49    H3*    A 911           H3*        A 911  12.233   3.266  17.503
   50    H2*    A 911           H2*        A 911  12.390   3.552  19.842
   51   2HO*    A 911          2HO*        A 911  14.188   3.195  20.931
   52    H1*    A 911           H1*        A 911  14.114   5.745  19.783
   53    H8     A 911           H8         A 911  11.344   6.160  17.225
   54   1H6     A 911          1H6         A 911   7.825   8.313  21.819
   55   2H6     A 911          2H6         A 911   7.948   8.076  20.091
   56    H2     A 911           H2         A 911  11.603   6.682  23.627
   57   1H5*    G 912          1H5*        G 912  14.054   1.364  20.428
   58   2H5*    G 912          2H5*        G 912  13.887  -0.403  20.363
   59    H4*    G 912           H4*        G 912  13.391   0.347  22.602
   60    H3*    G 912           H3*        G 912  11.169  -0.835  21.015
   61    H2*    G 912           H2*        G 912   9.461   0.300  22.031
   62   2HO*    G 912          2HO*        G 912  10.689   0.135  24.566
   63    H1*    G 912           H1*        G 912  11.055   1.984  23.822
   64    H8     G 912           H8         G 912  10.316   2.666  20.085
   65    H1     G 912           H1         G 912   6.668   5.903  24.235
   66   1H2     G 912          1H2         G 912   8.262   3.953  26.655
   67   2H2     G 912          2H2         G 912   7.083   5.198  26.310
   68   1H5*    U 913          1H5*        U 913  12.295  -1.518  25.444
   69   2H5*    U 913          2H5*        U 913  12.020  -3.209  25.902
   70    H4*    U 913           H4*        U 913  11.747  -1.811  27.853
   71    H3*    U 913           H3*        U 913   9.339  -3.254  26.807
   72    H2*    U 913           H2*        U 913   7.767  -1.929  27.845
   73   2HO*    U 913          2HO*        U 913   8.158  -2.136  29.931
   74    H1*    U 913           H1*        U 913   9.155   0.458  28.258
   75    H3     U 913           H3         U 913   6.518   2.611  25.389
   76    H5     U 913           H5         U 913   7.192  -1.054  23.416
   77    H6     U 913           H6         U 913   8.556  -1.741  25.304
   78   1H5*    G 914          1H5*        G 914   6.310  -4.809  29.796
   79   2H5*    G 914          2H5*        G 914   6.641  -3.739  28.417
   80    H4*    G 914           H4*        G 914   5.931  -2.765  31.204
   81    H3*    G 914           H3*        G 914   4.099  -3.213  28.798
   82    H2*    G 914           H2*        G 914   2.925  -1.282  29.478
   83   2HO*    G 914          2HO*        G 914   2.570  -0.933  31.513
   84    H1*    G 914           H1*        G 914   5.137   0.125  30.471
   85    H8     G 914           H8         G 914   5.969  -1.142  27.024
   86    H1     G 914           H1         G 914   2.184   4.025  26.993
   87   1H2     G 914          1H2         G 914   1.874   3.420  30.413
   88   2H2     G 914          2H2         G 914   1.438   4.425  29.050
   89   1H5*    G 915          1H5*        G 915   1.705  -2.558  32.075
   90   2H5*    G 915          2H5*        G 915   0.369  -3.721  32.191
   91    H4*    G 915           H4*        G 915  -0.520  -1.488  32.378
   92    H3*    G 915           H3*        G 915  -1.083  -2.650  29.632
   93    H2*    G 915           H2*        G 915  -2.474  -0.757  29.298
   94   2HO*    G 915          2HO*        G 915  -3.156   0.552  30.999
   95    H1*    G 915           H1*        G 915  -0.752   1.014  30.631
   96    H8     G 915           H8         G 915   1.157  -1.231  28.229
   97    H1     G 915           H1         G 915  -1.779   3.681  25.345
   98   1H2     G 915          1H2         G 915  -3.288   4.197  28.444
   99   2H2     G 915          2H2         G 915  -3.119   4.715  26.782
  100   1H5*    U 916          1H5*        U 916  -4.586  -1.455  30.985
  101   2H5*    U 916          2H5*        U 916  -5.883  -2.653  30.811
  102    H4*    U 916           H4*        U 916  -6.577  -0.571  29.791
  103    H3*    U 916           H3*        U 916  -5.885  -2.719  27.723
  104    H2*    U 916           H2*        U 916  -6.411  -1.200  26.002
  105   2HO*    U 916          2HO*        U 916  -7.492   0.913  27.058
  106    H1*    U 916           H1*        U 916  -5.583   1.125  27.342
  107    H3     U 916           H3         U 916  -2.866   1.074  23.720
  108    H5     U 916           H5         U 916  -1.472  -2.121  26.090
  109    H6     U 916           H6         U 916  -3.357  -1.757  27.574
  110   1H5*    U 917          1H5*        U 917  -8.874  -1.255  26.064
  111   2H5*    U 917          2H5*        U 917 -10.227  -2.358  25.739
  112    H4*    U 917           H4*        U 917  -9.639  -1.166  23.705
  113    H3*    U 917           H3*        U 917  -9.635  -3.944  23.953
  114    H2*    U 917           H2*        U 917  -7.445  -4.419  23.432
  115   2HO*    U 917          2HO*        U 917  -7.738  -5.170  21.487
  116    H1*    U 917           H1*        U 917  -7.094  -1.900  21.827
  117    H3     U 917           H3         U 917  -2.645  -2.137  21.979
  118    H5     U 917           H5         U 917  -3.779  -3.952  25.613
  119    H6     U 917           H6         U 917  -6.095  -3.539  25.018
  120   1H5*    U 918          1H5*        U 918  -7.828  -3.744  19.350
  121   2H5*    U 918          2H5*        U 918  -9.088  -2.687  20.019
  122    H4*    U 918           H4*        U 918  -9.502  -4.464  17.577
  123    H3*    U 918           H3*        U 918  -7.749  -2.459  17.482
  124    H2*    U 918           H2*        U 918  -9.187  -0.714  18.204
  125   2HO*    U 918          2HO*        U 918  -9.812  -0.986  15.438
  126    H1*    U 918           H1*        U 918 -11.543  -1.830  16.690
  127    H3     U 918           H3         U 918 -14.730   0.283  18.915
  128    H5     U 918           H5         U 918 -11.468   0.533  21.579
  129    H6     U 918           H6         U 918 -10.174  -0.799  20.005
  130   1H5*    G 919          1H5*        G 919  -6.243  -0.373  15.003
  131   2H5*    G 919          2H5*        G 919  -7.843  -0.292  15.768
  132    H4*    G 919           H4*        G 919  -6.761   1.217  13.424
  133    H3*    G 919           H3*        G 919  -7.255   2.191  15.905
  134    H2*    G 919           H2*        G 919  -9.461   1.262  16.027
  135   2HO*    G 919          2HO*        G 919 -10.823   3.233  15.165
  136    H1*    G 919           H1*        G 919 -10.229   2.280  13.308
  137    H8     G 919           H8         G 919 -11.565   0.714  16.124
  138    H1     G 919           H1         G 919 -13.182  -2.783  11.011
  139   1H2     G 919          1H2         G 919 -11.824  -2.343   9.321
  140   2H2     G 919          2H2         G 919 -10.520  -1.184   9.438
  141   1H5*    U 920          1H5*        U 920  -5.207   1.647  15.220
  142   2H5*    U 920          2H5*        U 920  -5.044   3.408  15.087
  143    H4*    U 920           H4*        U 920  -2.828   2.701  15.287
  144    H3*    U 920           H3*        U 920  -3.545   3.672  12.697
  145    H2*    U 920           H2*        U 920  -3.273   1.686  11.514
  146   2HO*    U 920          2HO*        U 920  -1.321   1.699  10.600
  147    H1*    U 920           H1*        U 920  -1.159   0.677  13.405
  148    H3     U 920           H3         U 920  -1.425  -3.594  12.170
  149    H5     U 920           H5         U 920  -4.955  -1.938  10.567
  150    H6     U 920           H6         U 920  -4.391   0.155  11.660
  151   1H5*    A 921          1H5*        A 921  -4.440   5.223  13.998
  152   2H5*    A 921          2H5*        A 921  -4.013   6.900  14.399
  153    H4*    A 921           H4*        A 921  -5.813   6.120  15.846
  154    H3*    A 921           H3*        A 921  -3.163   6.345  17.372
  155    H2*    A 921           H2*        A 921  -4.434   5.879  19.324
  156   2HO*    A 921          2HO*        A 921  -6.871   5.664  18.895
  157    H1*    A 921           H1*        A 921  -6.023   3.946  18.133
  158    H8     A 921           H8         A 921  -2.442   3.525  16.970
  159   1H6     A 921          1H6         A 921  -1.433   0.381  22.193
  160   2H6     A 921          2H6         A 921  -0.774   0.827  20.635
  161    H2     A 921           H2         A 921  -5.495   2.274  22.482
  162   1H5*    U 922          1H5*        U 922  -5.785   8.447  19.492
  163   2H5*    U 922          2H5*        U 922  -5.162   9.967  20.160
  164    H4*    U 922           H4*        U 922  -6.005   8.564  21.953
  165    H3*    U 922           H3*        U 922  -2.970   8.772  21.979
  166    H2*    U 922           H2*        U 922  -3.059   7.572  24.032
  167   2HO*    U 922          2HO*        U 922  -5.852   7.449  24.112
  168    H1*    U 922           H1*        U 922  -4.909   5.730  23.196
  169    H3     U 922           H3         U 922  -0.931   3.513  23.345
  170    H5     U 922           H5         U 922  -0.796   5.695  19.741
  171    H6     U 922           H6         U 922  -2.867   6.778  20.397
  172   1H5*    C 923          1H5*        C 923  -4.402   9.580  25.588
  173   2H5*    C 923          2H5*        C 923  -3.659  10.944  26.444
  174    H4*    C 923           H4*        C 923  -3.614   8.918  27.814
  175    H3*    C 923           H3*        C 923  -0.842   9.777  26.862
  176    H2*    C 923           H2*        C 923  -0.014   8.059  28.274
  177   2HO*    C 923          2HO*        C 923  -1.650   6.932  29.668
  178    H1*    C 923           H1*        C 923  -2.018   6.221  27.696
  179   1H4     C 923          1H4         C 923   2.564   5.857  22.912
  180   2H4     C 923          2H4         C 923   2.999   4.626  24.077
  181    H5     C 923           H5         C 923   0.741   7.396  23.237
  182    H6     C 923           H6         C 923  -1.043   8.113  24.760
  183   1H5*    C 924          1H5*        C 924   2.388  11.432  29.707
  184   2H5*    C 924          2H5*        C 924   2.003  10.652  28.161
  185    H4*    C 924           H4*        C 924   2.475   9.051  30.682
  186    H3*    C 924           H3*        C 924   4.542  10.166  28.741
  187    H2*    C 924           H2*        C 924   5.730   8.122  28.894
  188   2HO*    C 924          2HO*        C 924   4.145   6.840  30.736
  189    H1*    C 924           H1*        C 924   3.555   6.457  28.801
  190   1H4     C 924          1H4         C 924   4.526   8.550  22.595
  191   2H4     C 924          2H4         C 924   5.602   7.185  22.784
  192    H5     C 924           H5         C 924   3.218   9.462  24.401
  193    H6     C 924           H6         C 924   2.668   9.267  26.783
  194   1H5*    U 925          1H5*        U 925   6.834   8.668  31.549
  195   2H5*    U 925          2H5*        U 925   8.158   9.730  32.067
  196    H4*    U 925           H4*        U 925   9.078   7.655  31.221
  197    H3*    U 925           H3*        U 925   9.463   9.998  29.315
  198    H2*    U 925           H2*        U 925  10.792   8.547  27.990
  199   2HO*    U 925          2HO*        U 925  11.713   6.706  28.754
  200    H1*    U 925           H1*        U 925   9.189   6.306  28.344
  201    H3     U 925           H3         U 925   8.925   7.444  23.935
  202    H5     U 925           H5         U 925   6.346  10.140  25.898
  203    H6     U 925           H6         U 925   7.163   9.277  28.016
  204   1H5*    U 926          1H5*        U 926  13.031   8.387  29.623
  205   2H5*    U 926          2H5*        U 926  14.350   9.525  29.954
  206    H4*    U 926           H4*        U 926  14.901   8.234  27.987
  207    H3*    U 926           H3*        U 926  14.285  11.131  27.319
  208    H2*    U 926           H2*        U 926  14.569  10.625  25.061
  209   2HO*    U 926          2HO*        U 926  15.670   8.083  25.453
  210    H1*    U 926           H1*        U 926  13.633   7.987  25.071
  211    H3     U 926           H3         U 926  10.771  10.079  22.243
  212    H5     U 926           H5         U 926   9.692  11.518  26.055
  213    H6     U 926           H6         U 926  11.619  10.358  26.966
  214   1H5*    C 927          1H5*        C 927  17.509  13.773  25.753
  215   2H5*    C 927          2H5*        C 927  15.877  13.157  25.430
  216    H4*    C 927           H4*        C 927  18.307  12.603  23.694
  217    H3*    C 927           H3*        C 927  16.143  14.712  23.398
  218    H2*    C 927           H2*        C 927  16.266  14.399  21.046
  219   2HO*    C 927          2HO*        C 927  18.687  13.012  21.616
  220    H1*    C 927           H1*        C 927  16.384  11.663  21.109
  221   1H4     C 927          1H4         C 927  10.085  13.337  22.342
  222   2H4     C 927          2H4         C 927  10.219  13.324  20.597
  223    H5     C 927           H5         C 927  11.964  12.998  23.813
  224    H6     C 927           H6         C 927  14.383  12.597  23.928
  225   1H5*    C 928          1H5*        C 928  18.935  15.540  20.661
  226   2H5*    C 928          2H5*        C 928  19.433  17.241  20.602
  227    H4*    C 928           H4*        C 928  18.808  16.518  18.383
  228    H3*    C 928           H3*        C 928  16.690  18.404  19.573
  229    H2*    C 928           H2*        C 928  15.700  18.316  17.397
  230   2HO*    C 928          2HO*        C 928  17.408  16.652  16.116
  231    H1*    C 928           H1*        C 928  15.979  15.612  17.072
  232   1H4     C 928          1H4         C 928  10.928  16.631  21.254
  233   2H4     C 928          2H4         C 928  10.213  16.606  19.657
  234    H5     C 928           H5         C 928  13.298  16.466  21.642
  235    H6     C 928           H6         C 928  15.503  16.298  20.584
  236   1H5*    C 929          1H5*        C 929  17.553  19.891  16.016
  237   2H5*    C 929          2H5*        C 929  17.904  21.629  16.008
  238    H4*    C 929           H4*        C 929  16.199  21.124  14.351
  239    H3*    C 929           H3*        C 929  15.112  22.552  16.796
  240    H2*    C 929           H2*        C 929  13.011  22.629  15.754
  241   2HO*    C 929          2HO*        C 929  13.769  21.672  13.269
  242    H1*    C 929           H1*        C 929  13.244  20.145  14.455
  243   1H4     C 929          1H4         C 929  10.658  19.148  20.485
  244   2H4     C 929          2H4         C 929   9.293  19.252  19.395
  245    H5     C 929           H5         C 929  12.938  19.498  19.778
  246    H6     C 929           H6         C 929  14.395  20.066  17.888
  247    H3T    C 929           H3T        C 929  16.415  23.218  14.474
  Start of MODEL    9
    1   1H5*    G 907          1H5*        G 907  -1.174  20.688  17.597
    2   2H5*    G 907          2H5*        G 907  -1.569  19.301  16.562
    3    H4*    G 907           H4*        G 907  -0.077  20.816  15.382
    4    H3*    G 907           H3*        G 907   1.314  18.255  16.242
    5    H2*    G 907           H2*        G 907   3.223  19.044  15.091
    6   2HO*    G 907          2HO*        G 907   2.129  21.363  14.064
    7    H1*    G 907           H1*        G 907   2.973  21.686  15.885
    8    H8     G 907           H8         G 907   2.223  19.793  18.982
    9    H1     G 907           H1         G 907   8.454  19.543  17.529
   10   1H2     G 907          1H2         G 907   7.476  20.795  14.429
   11   2H2     G 907          2H2         G 907   8.784  20.256  15.456
   12    H5T    G 907           H5T        G 907  -0.922  18.164  18.184
   13   1H5*    G 908          1H5*        G 908   2.273  18.886  12.458
   14   2H5*    G 908          2H5*        G 908   2.115  17.490  11.373
   15    H4*    G 908           H4*        G 908   4.342  18.432  11.166
   16    H3*    G 908           H3*        G 908   4.346  15.748  12.571
   17    H2*    G 908           H2*        G 908   6.696  15.915  12.603
   18   2HO*    G 908          2HO*        G 908   6.307  17.095  10.258
   19    H1*    G 908           H1*        G 908   6.836  18.691  12.983
   20    H8     G 908           H8         G 908   4.403  17.151  15.441
   21    H1     G 908           H1         G 908  10.532  16.442  17.166
   22   1H2     G 908          1H2         G 908  11.246  17.582  13.950
   23   2H2     G 908          2H2         G 908  11.866  17.016  15.483
   24   1H5*    G 909          1H5*        G 909   6.268  12.113  10.616
   25   2H5*    G 909          2H5*        G 909   6.183  13.082  12.103
   26    H4*    G 909           H4*        G 909   8.586  13.184  10.271
   27    H3*    G 909           H3*        G 909   8.001  11.053  12.326
   28    H2*    G 909           H2*        G 909  10.115  11.299  13.294
   29   2HO*    G 909          2HO*        G 909  10.893  12.588  10.872
   30    H1*    G 909           H1*        G 909  10.512  14.018  12.903
   31    H8     G 909           H8         G 909   7.052  13.799  14.263
   32    H1     G 909           H1         G 909  11.483  12.744  18.766
   33   1H2     G 909          1H2         G 909  13.689  12.448  16.085
   34   2H2     G 909          2H2         G 909  13.461  12.402  17.818
   35   1H5*    G 910          1H5*        G 910  10.200   7.076  12.203
   36   2H5*    G 910          2H5*        G 910   9.638   8.397  13.246
   37    H4*    G 910           H4*        G 910  12.561   7.928  12.598
   38    H3*    G 910           H3*        G 910  10.879   6.854  14.918
   39    H2*    G 910           H2*        G 910  12.821   7.078  16.290
   40   2HO*    G 910          2HO*        G 910  14.722   8.041  14.836
   41    H1*    G 910           H1*        G 910  13.520   9.547  15.350
   42    H8     G 910           H8         G 910   9.866   9.955  15.389
   43    H1     G 910           H1         G 910  12.162   9.441  21.350
   44   1H2     G 910          1H2         G 910  15.092   8.367  19.799
   45   2H2     G 910          2H2         G 910  14.261   8.719  21.297
   46   1H5*    A 911          1H5*        A 911  14.122   4.989  15.501
   47   2H5*    A 911          2H5*        A 911  13.966   3.230  15.669
   48    H4*    A 911           H4*        A 911  15.138   4.087  17.589
   49    H3*    A 911           H3*        A 911  12.303   3.218  18.192
   50    H2*    A 911           H2*        A 911  12.738   3.713  20.474
   51   2HO*    A 911          2HO*        A 911  15.380   3.373  19.663
   52    H1*    A 911           H1*        A 911  14.105   6.058  20.047
   53    H8     A 911           H8         A 911  11.282   5.956  17.542
   54   1H6     A 911          1H6         A 911   7.553   7.923  22.054
   55   2H6     A 911          2H6         A 911   7.695   7.605  20.340
   56    H2     A 911           H2         A 911  11.512   6.869  23.902
   57   1H5*    G 912          1H5*        G 912  14.594   2.078  20.978
   58   2H5*    G 912          2H5*        G 912  14.830   0.330  21.169
   59    H4*    G 912           H4*        G 912  14.600   1.414  23.345
   60    H3*    G 912           H3*        G 912  12.912  -0.846  22.582
   61    H2*    G 912           H2*        G 912  10.850   0.193  22.808
   62   2HO*    G 912          2HO*        G 912  11.649   0.317  25.540
   63    H1*    G 912           H1*        G 912  11.797   2.325  24.675
   64    H8     G 912           H8         G 912  10.762   2.400  20.925
   65    H1     G 912           H1         G 912   6.790   5.381  24.971
   66   1H2     G 912          1H2         G 912   8.918   4.151  27.451
   67   2H2     G 912          2H2         G 912   7.482   5.071  27.068
   68   1H5*    U 913          1H5*        U 913  11.841  -3.496  26.755
   69   2H5*    U 913          2H5*        U 913  10.929  -2.059  26.258
   70    H4*    U 913           H4*        U 913  12.202  -2.439  28.986
   71    H3*    U 913           H3*        U 913   9.378  -3.054  28.013
   72    H2*    U 913           H2*        U 913   8.377  -1.876  29.745
   73   2HO*    U 913          2HO*        U 913   9.089  -2.622  31.593
   74    H1*    U 913           H1*        U 913  10.378   0.004  30.284
   75    H3     U 913           H3         U 913   6.249   1.877  29.182
   76    H5     U 913           H5         U 913   8.642   1.826  25.710
   77    H6     U 913           H6         U 913  10.182   0.356  26.875
   78   1H5*    G 914          1H5*        G 914   6.218  -5.135  28.945
   79   2H5*    G 914          2H5*        G 914   7.314  -3.978  28.157
   80    H4*    G 914           H4*        G 914   6.213  -3.082  30.752
   81    H3*    G 914           H3*        G 914   4.298  -3.502  28.391
   82    H2*    G 914           H2*        G 914   3.281  -1.473  29.046
   83   2HO*    G 914          2HO*        G 914   3.249  -0.758  31.073
   84    H1*    G 914           H1*        G 914   5.623  -0.202  29.915
   85    H8     G 914           H8         G 914   6.284  -1.623  26.501
   86    H1     G 914           H1         G 914   2.777   3.736  26.372
   87   1H2     G 914          1H2         G 914   2.511   3.261  29.817
   88   2H2     G 914          2H2         G 914   2.103   4.245  28.432
   89   1H5*    G 915          1H5*        G 915   2.025  -2.588  31.701
   90   2H5*    G 915          2H5*        G 915   0.619  -3.657  31.880
   91    H4*    G 915           H4*        G 915  -0.112  -1.362  32.029
   92    H3*    G 915           H3*        G 915  -0.839  -2.543  29.318
   93    H2*    G 915           H2*        G 915  -2.111  -0.563  29.002
   94   2HO*    G 915          2HO*        G 915  -2.351  -0.696  31.681
   95    H1*    G 915           H1*        G 915  -0.220   1.104  30.222
   96    H8     G 915           H8         G 915   1.518  -1.281  27.853
   97    H1     G 915           H1         G 915  -1.360   3.593  24.851
   98   1H2     G 915          1H2         G 915  -2.772   4.272  27.965
   99   2H2     G 915          2H2         G 915  -2.634   4.720  26.280
  100   1H5*    U 916          1H5*        U 916  -4.205  -1.102  30.646
  101   2H5*    U 916          2H5*        U 916  -5.572  -2.227  30.551
  102    H4*    U 916           H4*        U 916  -6.152  -0.159  29.430
  103    H3*    U 916           H3*        U 916  -5.635  -2.452  27.467
  104    H2*    U 916           H2*        U 916  -6.097  -0.993  25.679
  105   2HO*    U 916          2HO*        U 916  -7.205   0.961  27.398
  106    H1*    U 916           H1*        U 916  -5.123   1.346  26.901
  107    H3     U 916           H3         U 916  -2.585   0.918  23.153
  108    H5     U 916           H5         U 916  -1.134  -2.062  25.758
  109    H6     U 916           H6         U 916  -2.961  -1.542  27.266
  110   1H5*    U 917          1H5*        U 917  -8.561  -0.828  25.789
  111   2H5*    U 917          2H5*        U 917  -9.997  -1.849  25.566
  112    H4*    U 917           H4*        U 917  -9.422  -0.788  23.460
  113    H3*    U 917           H3*        U 917  -9.587  -3.532  23.860
  114    H2*    U 917           H2*        U 917  -7.436  -4.179  23.365
  115   2HO*    U 917          2HO*        U 917  -7.320  -4.887  21.362
  116    H1*    U 917           H1*        U 917  -6.962  -1.829  21.549
  117    H3     U 917           H3         U 917  -2.532  -2.306  21.661
  118    H5     U 917           H5         U 917  -3.703  -3.789  25.430
  119    H6     U 917           H6         U 917  -6.001  -3.284  24.839
  120   1H5*    U 918          1H5*        U 918  -7.824  -3.641  19.101
  121   2H5*    U 918          2H5*        U 918  -8.998  -2.515  19.814
  122    H4*    U 918           H4*        U 918  -9.658  -4.394  17.507
  123    H3*    U 918           H3*        U 918  -7.857  -2.428  17.154
  124    H2*    U 918           H2*        U 918  -9.205  -0.635  17.944
  125   2HO*    U 918          2HO*        U 918 -10.570  -0.137  15.788
  126    H1*    U 918           H1*        U 918 -11.681  -1.764  16.636
  127    H3     U 918           H3         U 918 -14.669   0.579  18.902
  128    H5     U 918           H5         U 918 -11.275   0.817  21.398
  129    H6     U 918           H6         U 918 -10.106  -0.626  19.825
  130   1H5*    G 919          1H5*        G 919  -6.585  -0.495  14.408
  131   2H5*    G 919          2H5*        G 919  -8.126  -0.285  15.265
  132    H4*    G 919           H4*        G 919  -7.129   1.005  12.771
  133    H3*    G 919           H3*        G 919  -7.577   2.188  15.166
  134    H2*    G 919           H2*        G 919  -9.796   1.306  15.421
  135   2HO*    G 919          2HO*        G 919  -9.684   3.887  14.415
  136    H1*    G 919           H1*        G 919 -10.638   2.029  12.642
  137    H8     G 919           H8         G 919 -10.146  -1.499  14.132
  138    H1     G 919           H1         G 919 -16.258   0.368  13.733
  139   1H2     G 919          1H2         G 919 -16.376   2.446  12.984
  140   2H2     G 919          2H2         G 919 -14.957   3.386  12.586
  141   1H5*    U 920          1H5*        U 920  -5.740   1.579  14.406
  142   2H5*    U 920          2H5*        U 920  -4.721   2.826  15.149
  143    H4*    U 920           H4*        U 920  -3.342   0.937  14.493
  144    H3*    U 920           H3*        U 920  -3.072   3.301  12.588
  145    H2*    U 920           H2*        U 920  -1.402   2.132  11.400
  146   2HO*    U 920          2HO*        U 920  -1.197   0.410  13.659
  147    H1*    U 920           H1*        U 920  -2.549  -0.405  11.843
  148    H3     U 920           H3         U 920  -1.911   1.535   7.474
  149    H5     U 920           H5         U 920  -6.007   1.273   8.434
  150    H6     U 920           H6         U 920  -5.372   0.751  10.717
  151   1H5*    A 921          1H5*        A 921  -3.559   5.118  13.617
  152   2H5*    A 921          2H5*        A 921  -3.265   6.804  14.091
  153    H4*    A 921           H4*        A 921  -5.236   6.056  15.236
  154    H3*    A 921           H3*        A 921  -2.807   6.102  17.054
  155    H2*    A 921           H2*        A 921  -4.218   5.502  18.850
  156   2HO*    A 921          2HO*        A 921  -5.946   7.034  17.756
  157    H1*    A 921           H1*        A 921  -5.794   3.728  17.404
  158    H8     A 921           H8         A 921  -2.354   2.897  16.311
  159   1H6     A 921          1H6         A 921  -1.479   0.015  21.707
  160   2H6     A 921          2H6         A 921  -0.848   0.268  20.095
  161    H2     A 921           H2         A 921  -5.261   2.417  22.021
  162   1H5*    U 922          1H5*        U 922  -5.450   8.271  19.128
  163   2H5*    U 922          2H5*        U 922  -4.777   9.784  19.763
  164    H4*    U 922           H4*        U 922  -5.661   8.489  21.598
  165    H3*    U 922           H3*        U 922  -2.620   8.512  21.553
  166    H2*    U 922           H2*        U 922  -2.707   7.346  23.630
  167   2HO*    U 922          2HO*        U 922  -5.487   7.982  23.617
  168    H1*    U 922           H1*        U 922  -4.649   5.580  22.875
  169    H3     U 922           H3         U 922  -0.744   3.228  22.849
  170    H5     U 922           H5         U 922  -0.719   5.374  19.221
  171    H6     U 922           H6         U 922  -2.715   6.534  19.969
  172   1H5*    C 923          1H5*        C 923  -3.772   9.511  25.245
  173   2H5*    C 923          2H5*        C 923  -2.902  10.882  25.960
  174    H4*    C 923           H4*        C 923  -2.829   8.956  27.452
  175    H3*    C 923           H3*        C 923  -0.089   9.539  26.192
  176    H2*    C 923           H2*        C 923   0.728   7.871  27.683
  177   2HO*    C 923          2HO*        C 923  -1.640   7.350  29.001
  178    H1*    C 923           H1*        C 923  -1.416   6.146  27.368
  179   1H4     C 923          1H4         C 923   2.680   5.246  22.228
  180   2H4     C 923          2H4         C 923   3.174   4.077  23.432
  181    H5     C 923           H5         C 923   0.963   6.889  22.611
  182    H6     C 923           H6         C 923  -0.636   7.791  24.239
  183   1H5*    C 924          1H5*        C 924   0.631   9.310  30.070
  184   2H5*    C 924          2H5*        C 924   1.619  10.634  30.716
  185    H4*    C 924           H4*        C 924   2.654   8.520  31.287
  186    H3*    C 924           H3*        C 924   4.217   9.974  29.110
  187    H2*    C 924           H2*        C 924   5.826   8.235  29.316
  188   2HO*    C 924          2HO*        C 924   4.798   6.675  31.233
  189    H1*    C 924           H1*        C 924   3.998   6.182  29.488
  190   1H4     C 924          1H4         C 924   4.429   7.874  23.096
  191   2H4     C 924          2H4         C 924   5.606   6.601  23.327
  192    H5     C 924           H5         C 924   3.144   8.825  24.898
  193    H6     C 924           H6         C 924   2.714   8.766  27.312
  194   1H5*    U 925          1H5*        U 925   6.825   9.013  31.920
  195   2H5*    U 925          2H5*        U 925   8.086  10.217  32.254
  196    H4*    U 925           H4*        U 925   9.085   8.100  31.562
  197    H3*    U 925           H3*        U 925   9.362  10.284  29.433
  198    H2*    U 925           H2*        U 925  10.745   8.739  28.274
  199   2HO*    U 925          2HO*        U 925  10.749   6.700  30.114
  200    H1*    U 925           H1*        U 925   9.199   6.507  28.845
  201    H3     U 925           H3         U 925   8.918   7.223  24.347
  202    H5     U 925           H5         U 925   6.235   9.993  26.052
  203    H6     U 925           H6         U 925   7.075   9.360  28.241
  204   1H5*    U 926          1H5*        U 926  12.954   8.847  29.869
  205   2H5*    U 926          2H5*        U 926  14.249  10.043  30.064
  206    H4*    U 926           H4*        U 926  14.792   8.563  28.224
  207    H3*    U 926           H3*        U 926  14.181  11.397  27.285
  208    H2*    U 926           H2*        U 926  14.456  10.659  25.086
  209   2HO*    U 926          2HO*        U 926  15.783   9.047  24.528
  210    H1*    U 926           H1*        U 926  13.421   8.091  25.322
  211    H3     U 926           H3         U 926  10.594  10.220  22.460
  212    H5     U 926           H5         U 926   9.550  11.685  26.272
  213    H6     U 926           H6         U 926  11.475  10.518  27.177
  214   1H5*    C 927          1H5*        C 927  17.414  13.915  25.535
  215   2H5*    C 927          2H5*        C 927  15.756  13.327  25.302
  216    H4*    C 927           H4*        C 927  18.115  12.596  23.533
  217    H3*    C 927           H3*        C 927  15.998  14.743  23.168
  218    H2*    C 927           H2*        C 927  16.030  14.274  20.839
  219   2HO*    C 927          2HO*        C 927  17.683  13.317  19.832
  220    H1*    C 927           H1*        C 927  16.063  11.549  21.075
  221   1H4     C 927          1H4         C 927   9.877  13.509  22.461
  222   2H4     C 927          2H4         C 927   9.934  13.380  20.717
  223    H5     C 927           H5         C 927  11.809  13.202  23.870
  224    H6     C 927           H6         C 927  14.216  12.727  23.910
  225   1H5*    C 928          1H5*        C 928  18.701  15.323  20.282
  226   2H5*    C 928          2H5*        C 928  19.241  17.002  20.103
  227    H4*    C 928           H4*        C 928  18.512  16.167  17.957
  228    H3*    C 928           H3*        C 928  16.489  18.186  19.106
  229    H2*    C 928           H2*        C 928  15.420  17.995  16.971
  230   2HO*    C 928          2HO*        C 928  17.934  17.122  16.200
  231    H1*    C 928           H1*        C 928  15.592  15.272  16.819
  232   1H4     C 928          1H4         C 928  10.786  16.733  21.155
  233   2H4     C 928          2H4         C 928   9.995  16.637  19.597
  234    H5     C 928           H5         C 928  13.165  16.505  21.443
  235    H6     C 928           H6         C 928  15.310  16.190  20.298
  236   1H5*    C 929          1H5*        C 929  17.253  19.453  15.430
  237   2H5*    C 929          2H5*        C 929  17.643  21.179  15.320
  238    H4*    C 929           H4*        C 929  15.870  20.637  13.752
  239    H3*    C 929           H3*        C 929  14.886  22.206  16.158
  240    H2*    C 929           H2*        C 929  12.759  22.281  15.156
  241   2HO*    C 929          2HO*        C 929  12.695  21.377  12.842
  242    H1*    C 929           H1*        C 929  12.885  19.718  14.030
  243   1H4     C 929          1H4         C 929  10.586  19.175  20.231
  244   2H4     C 929          2H4         C 929   9.170  19.237  19.204
  245    H5     C 929           H5         C 929  12.833  19.426  19.394
  246    H6     C 929           H6         C 929  14.207  19.836  17.403
  247    H3T    C 929           H3T        C 929  14.799  23.759  14.242
  Start of MODEL   10
    1   1H5*    G 907          1H5*        G 907  -0.915  21.045  18.021
    2   2H5*    G 907          2H5*        G 907  -1.352  19.696  16.951
    3    H4*    G 907           H4*        G 907   0.147  21.221  15.792
    4    H3*    G 907           H3*        G 907   1.507  18.611  16.550
    5    H2*    G 907           H2*        G 907   3.412  19.404  15.390
    6   2HO*    G 907          2HO*        G 907   1.525  21.015  14.112
    7    H1*    G 907           H1*        G 907   3.231  22.018  16.282
    8    H8     G 907           H8         G 907   2.464  20.037  19.320
    9    H1     G 907           H1         G 907   8.672  19.689  17.795
   10   1H2     G 907          1H2         G 907   7.695  21.071  14.751
   11   2H2     G 907          2H2         G 907   9.000  20.464  15.744
   12    H5T    G 907           H5T        G 907  -0.763  18.575  18.630
   13   1H5*    G 908          1H5*        G 908   2.432  19.336  12.783
   14   2H5*    G 908          2H5*        G 908   2.243  17.977  11.658
   15    H4*    G 908           H4*        G 908   4.486  18.892  11.469
   16    H3*    G 908           H3*        G 908   4.449  16.160  12.779
   17    H2*    G 908           H2*        G 908   6.802  16.284  12.803
   18   2HO*    G 908          2HO*        G 908   7.786  18.143  11.547
   19    H1*    G 908           H1*        G 908   6.993  19.045  13.273
   20    H8     G 908           H8         G 908   4.556  17.498  15.713
   21    H1     G 908           H1         G 908  10.681  16.536  17.325
   22   1H2     G 908          1H2         G 908  11.388  17.750  14.134
   23   2H2     G 908          2H2         G 908  12.010  17.117  15.641
   24   1H5*    G 909          1H5*        G 909   6.289  12.560  10.688
   25   2H5*    G 909          2H5*        G 909   6.232  13.479  12.207
   26    H4*    G 909           H4*        G 909   8.626  13.595  10.365
   27    H3*    G 909           H3*        G 909   8.007  11.408  12.348
   28    H2*    G 909           H2*        G 909  10.126  11.579  13.319
   29   2HO*    G 909          2HO*        G 909  10.892  11.813  10.867
   30    H1*    G 909           H1*        G 909  10.582  14.300  13.014
   31    H8     G 909           H8         G 909   7.124  14.118  14.382
   32    H1     G 909           H1         G 909  11.544  12.804  18.828
   33   1H2     G 909          1H2         G 909  13.732  12.545  16.129
   34   2H2     G 909          2H2         G 909  13.509  12.447  17.861
   35   1H5*    G 910          1H5*        G 910  10.117   7.398  12.084
   36   2H5*    G 910          2H5*        G 910   9.593   8.695  13.174
   37    H4*    G 910           H4*        G 910  12.500   8.179  12.493
   38    H3*    G 910           H3*        G 910  10.801   7.070  14.783
   39    H2*    G 910           H2*        G 910  12.752   7.197  16.154
   40   2HO*    G 910          2HO*        G 910  14.650   8.179  14.662
   41    H1*    G 910           H1*        G 910  13.512   9.678  15.293
   42    H8     G 910           H8         G 910   9.872  10.180  15.364
   43    H1     G 910           H1         G 910  12.176   9.405  21.294
   44   1H2     G 910          1H2         G 910  15.071   8.306  19.692
   45   2H2     G 910          2H2         G 910  14.255   8.629  21.205
   46   1H5*    A 911          1H5*        A 911  14.004   5.109  15.285
   47   2H5*    A 911          2H5*        A 911  13.807   3.351  15.398
   48    H4*    A 911           H4*        A 911  15.013   4.120  17.336
   49    H3*    A 911           H3*        A 911  12.166   3.299  17.926
   50    H2*    A 911           H2*        A 911  12.620   3.708  20.222
   51   2HO*    A 911          2HO*        A 911  15.133   4.456  20.357
   52    H1*    A 911           H1*        A 911  14.044   6.034  19.863
   53    H8     A 911           H8         A 911  11.197   6.077  17.382
   54   1H6     A 911          1H6         A 911   7.558   7.997  21.987
   55   2H6     A 911          2H6         A 911   7.676   7.728  20.262
   56    H2     A 911           H2         A 911  11.507   6.791  23.763
   57   1H5*    G 912          1H5*        G 912  14.481   2.041  20.645
   58   2H5*    G 912          2H5*        G 912  14.675   0.284  20.812
   59    H4*    G 912           H4*        G 912  14.512   1.357  23.004
   60    H3*    G 912           H3*        G 912  12.783  -0.881  22.269
   61    H2*    G 912           H2*        G 912  10.741   0.205  22.489
   62   2HO*    G 912          2HO*        G 912  11.549  -0.755  24.796
   63    H1*    G 912           H1*        G 912  11.735   2.293  24.386
   64    H8     G 912           H8         G 912  10.676   2.459  20.647
   65    H1     G 912           H1         G 912   6.762   5.397  24.780
   66   1H2     G 912          1H2         G 912   8.885   4.083  27.220
   67   2H2     G 912          2H2         G 912   7.460   5.030  26.867
   68   1H5*    U 913          1H5*        U 913  11.699  -3.499  26.457
   69   2H5*    U 913          2H5*        U 913  10.802  -2.056  25.950
   70    H4*    U 913           H4*        U 913  12.075  -2.428  28.679
   71    H3*    U 913           H3*        U 913   9.267  -3.056  27.697
   72    H2*    U 913           H2*        U 913   8.233  -1.833  29.371
   73   2HO*    U 913          2HO*        U 913   8.988  -2.760  31.178
   74    H1*    U 913           H1*        U 913  10.245   0.032  29.954
   75    H3     U 913           H3         U 913   6.211   2.036  28.817
   76    H5     U 913           H5         U 913   8.543   1.774  25.315
   77    H6     U 913           H6         U 913  10.047   0.290  26.509
   78   1H5*    G 914          1H5*        G 914   6.103  -5.078  28.709
   79   2H5*    G 914          2H5*        G 914   7.206  -3.927  27.922
   80    H4*    G 914           H4*        G 914   6.130  -3.029  30.525
   81    H3*    G 914           H3*        G 914   4.205  -3.450  28.182
   82    H2*    G 914           H2*        G 914   3.201  -1.408  28.810
   83   2HO*    G 914          2HO*        G 914   4.480  -0.865  31.144
   84    H1*    G 914           H1*        G 914   5.548  -0.147  29.699
   85    H8     G 914           H8         G 914   6.235  -1.527  26.282
   86    H1     G 914           H1         G 914   2.671   3.795  26.169
   87   1H2     G 914          1H2         G 914   2.381   3.285  29.607
   88   2H2     G 914          2H2         G 914   1.974   4.277  28.226
   89   1H5*    G 915          1H5*        G 915   2.000  -2.454  31.533
   90   2H5*    G 915          2H5*        G 915   0.610  -3.533  31.764
   91    H4*    G 915           H4*        G 915  -0.143  -1.252  31.934
   92    H3*    G 915           H3*        G 915  -0.906  -2.460  29.258
   93    H2*    G 915           H2*        G 915  -2.210  -0.505  28.924
   94   2HO*    G 915          2HO*        G 915  -2.536  -0.638  31.548
   95    H1*    G 915           H1*        G 915  -0.333   1.213  30.105
   96    H8     G 915           H8         G 915   1.351  -1.210  27.713
   97    H1     G 915           H1         G 915  -1.492   3.715  24.762
   98   1H2     G 915          1H2         G 915  -2.831   4.423  27.900
   99   2H2     G 915          2H2         G 915  -2.716   4.866  26.213
  100   1H5*    U 916          1H5*        U 916  -4.270  -1.034  30.704
  101   2H5*    U 916          2H5*        U 916  -5.634  -2.165  30.633
  102    H4*    U 916           H4*        U 916  -6.260  -0.093  29.554
  103    H3*    U 916           H3*        U 916  -5.763  -2.358  27.554
  104    H2*    U 916           H2*        U 916  -6.278  -0.886  25.790
  105   2HO*    U 916          2HO*        U 916  -7.345   1.176  26.290
  106    H1*    U 916           H1*        U 916  -5.283   1.446  26.998
  107    H3     U 916           H3         U 916  -2.731   1.103  23.270
  108    H5     U 916           H5         U 916  -1.382  -2.041  25.732
  109    H6     U 916           H6         U 916  -3.185  -1.523  27.271
  110   1H5*    U 917          1H5*        U 917  -8.744  -0.797  25.951
  111   2H5*    U 917          2H5*        U 917 -10.165  -1.838  25.734
  112    H4*    U 917           H4*        U 917  -9.613  -0.764  23.628
  113    H3*    U 917           H3*        U 917  -9.729  -3.524  23.998
  114    H2*    U 917           H2*        U 917  -7.593  -4.131  23.399
  115   2HO*    U 917          2HO*        U 917  -7.297  -3.891  20.949
  116    H1*    U 917           H1*        U 917  -7.189  -1.702  21.675
  117    H3     U 917           H3         U 917  -2.756  -2.163  21.656
  118    H5     U 917           H5         U 917  -3.820  -3.757  25.411
  119    H6     U 917           H6         U 917  -6.137  -3.253  24.893
  120   1H5*    U 918          1H5*        U 918  -8.138  -3.588  19.302
  121   2H5*    U 918          2H5*        U 918  -9.318  -2.452  19.987
  122    H4*    U 918           H4*        U 918  -9.931  -4.303  17.646
  123    H3*    U 918           H3*        U 918  -8.099  -2.382  17.390
  124    H2*    U 918           H2*        U 918  -9.425  -0.549  18.105
  125   2HO*    U 918          2HO*        U 918  -9.995  -0.953  15.355
  126    H1*    U 918           H1*        U 918 -11.897  -1.616  16.751
  127    H3     U 918           H3         U 918 -14.881   0.716  19.039
  128    H5     U 918           H5         U 918 -11.481   0.931  21.528
  129    H6     U 918           H6         U 918 -10.324  -0.517  19.950
  130   1H5*    G 919          1H5*        G 919  -6.635  -0.446  14.779
  131   2H5*    G 919          2H5*        G 919  -8.194  -0.259  15.606
  132    H4*    G 919           H4*        G 919  -7.147   1.110  13.160
  133    H3*    G 919           H3*        G 919  -7.476   2.193  15.621
  134    H2*    G 919           H2*        G 919  -9.718   1.389  15.882
  135   2HO*    G 919          2HO*        G 919 -11.089   3.230  15.491
  136    H1*    G 919           H1*        G 919 -10.565   2.339  13.162
  137    H8     G 919           H8         G 919 -11.815   0.925  16.106
  138    H1     G 919           H1         G 919 -13.889  -2.627  11.199
  139   1H2     G 919          1H2         G 919 -12.611  -2.302   9.424
  140   2H2     G 919          2H2         G 919 -11.247  -1.207   9.433
  141   1H5*    U 920          1H5*        U 920  -5.494   1.517  14.900
  142   2H5*    U 920          2H5*        U 920  -5.256   3.263  14.699
  143    H4*    U 920           H4*        U 920  -3.068   2.480  14.842
  144    H3*    U 920           H3*        U 920  -3.826   3.349  12.232
  145    H2*    U 920           H2*        U 920  -3.699   1.290  11.151
  146   2HO*    U 920          2HO*        U 920  -1.437   0.843  10.580
  147    H1*    U 920           H1*        U 920  -1.561   0.280  13.013
  148    H3     U 920           H3         U 920  -2.070  -4.031  12.011
  149    H5     U 920           H5         U 920  -5.588  -2.293  10.469
  150    H6     U 920           H6         U 920  -4.885  -0.178  11.427
  151   1H5*    A 921          1H5*        A 921  -4.597   5.012  13.532
  152   2H5*    A 921          2H5*        A 921  -4.055   6.673  13.857
  153    H4*    A 921           H4*        A 921  -5.829   6.053  15.406
  154    H3*    A 921           H3*        A 921  -3.104   6.148  16.818
  155    H2*    A 921           H2*        A 921  -4.328   5.833  18.833
  156   2HO*    A 921          2HO*        A 921  -6.870   5.793  17.844
  157    H1*    A 921           H1*        A 921  -6.069   3.962  17.770
  158    H8     A 921           H8         A 921  -2.578   3.289  16.463
  159   1H6     A 921          1H6         A 921  -1.504   0.269  21.747
  160   2H6     A 921          2H6         A 921  -0.896   0.621  20.144
  161    H2     A 921           H2         A 921  -5.430   2.413  22.153
  162   1H5*    U 922          1H5*        U 922  -5.475   8.534  18.986
  163   2H5*    U 922          2H5*        U 922  -4.693  10.022  19.553
  164    H4*    U 922           H4*        U 922  -5.557   8.787  21.450
  165    H3*    U 922           H3*        U 922  -2.519   8.701  21.323
  166    H2*    U 922           H2*        U 922  -2.616   7.596  23.432
  167   2HO*    U 922          2HO*        U 922  -4.911   8.968  23.684
  168    H1*    U 922           H1*        U 922  -4.637   5.888  22.754
  169    H3     U 922           H3         U 922  -0.835   3.376  22.739
  170    H5     U 922           H5         U 922  -0.767   5.430  19.058
  171    H6     U 922           H6         U 922  -2.705   6.689  19.801
  172   1H5*    C 923          1H5*        C 923  -3.635   9.785  24.981
  173   2H5*    C 923          2H5*        C 923  -2.709  11.108  25.714
  174    H4*    C 923           H4*        C 923  -2.756   9.160  27.188
  175    H3*    C 923           H3*        C 923   0.039   9.667  26.013
  176    H2*    C 923           H2*        C 923   0.750   7.948  27.497
  177   2HO*    C 923          2HO*        C 923  -0.954   7.076  29.001
  178    H1*    C 923           H1*        C 923  -1.428   6.296  27.086
  179   1H4     C 923          1H4         C 923   2.763   5.401  22.024
  180   2H4     C 923          2H4         C 923   3.192   4.188  23.209
  181    H5     C 923           H5         C 923   1.088   7.087  22.408
  182    H6     C 923           H6         C 923  -0.524   7.995  24.018
  183   1H5*    C 924          1H5*        C 924   0.664   9.354  29.890
  184   2H5*    C 924          2H5*        C 924   1.672  10.642  30.579
  185    H4*    C 924           H4*        C 924   2.646   8.495  31.129
  186    H3*    C 924           H3*        C 924   4.277   9.952  29.003
  187    H2*    C 924           H2*        C 924   5.844   8.171  29.198
  188   2HO*    C 924          2HO*        C 924   4.374   7.390  31.514
  189    H1*    C 924           H1*        C 924   3.970   6.160  29.284
  190   1H4     C 924          1H4         C 924   4.502   8.036  22.950
  191   2H4     C 924          2H4         C 924   5.653   6.734  23.155
  192    H5     C 924           H5         C 924   3.215   8.956  24.768
  193    H6     C 924           H6         C 924   2.760   8.833  27.174
  194   1H5*    U 925          1H5*        U 925   6.837   8.882  31.815
  195   2H5*    U 925          2H5*        U 925   8.125  10.048  32.177
  196    H4*    U 925           H4*        U 925   9.081   7.925  31.451
  197    H3*    U 925           H3*        U 925   9.413  10.143  29.368
  198    H2*    U 925           H2*        U 925  10.761   8.590  28.177
  199   2HO*    U 925          2HO*        U 925  11.016   6.420  29.453
  200    H1*    U 925           H1*        U 925   9.159   6.388  28.681
  201    H3     U 925           H3         U 925   8.878   7.250  24.210
  202    H5     U 925           H5         U 925   6.279  10.038  26.011
  203    H6     U 925           H6         U 925   7.108   9.315  28.175
  204   1H5*    U 926          1H5*        U 926  12.975   8.606  29.782
  205   2H5*    U 926          2H5*        U 926  14.294   9.770  30.012
  206    H4*    U 926           H4*        U 926  14.822   8.322  28.145
  207    H3*    U 926           H3*        U 926  14.269  11.186  27.277
  208    H2*    U 926           H2*        U 926  14.530  10.507  25.057
  209   2HO*    U 926          2HO*        U 926  16.375   9.416  24.964
  210    H1*    U 926           H1*        U 926  13.444   7.957  25.215
  211    H3     U 926           H3         U 926  10.637  10.211  22.437
  212    H5     U 926           H5         U 926   9.665  11.620  26.288
  213    H6     U 926           H6         U 926  11.569  10.384  27.149
  214   1H5*    C 927          1H5*        C 927  17.546  13.684  25.585
  215   2H5*    C 927          2H5*        C 927  15.877  13.133  25.340
  216    H4*    C 927           H4*        C 927  18.217  12.403  23.547
  217    H3*    C 927           H3*        C 927  16.145  14.602  23.251
  218    H2*    C 927           H2*        C 927  16.153  14.198  20.909
  219   2HO*    C 927          2HO*        C 927  17.863  12.276  20.463
  220    H1*    C 927           H1*        C 927  16.135  11.467  21.068
  221   1H4     C 927          1H4         C 927   9.994  13.502  22.538
  222   2H4     C 927          2H4         C 927  10.042  13.428  20.791
  223    H5     C 927           H5         C 927  11.924  13.111  23.929
  224    H6     C 927           H6         C 927  14.322  12.590  23.944
  225   1H5*    C 928          1H5*        C 928  18.850  15.208  20.372
  226   2H5*    C 928          2H5*        C 928  19.422  16.881  20.236
  227    H4*    C 928           H4*        C 928  18.666  16.119  18.070
  228    H3*    C 928           H3*        C 928  16.693  18.144  19.287
  229    H2*    C 928           H2*        C 928  15.606  18.036  17.158
  230   2HO*    C 928          2HO*        C 928  16.568  17.342  15.361
  231    H1*    C 928           H1*        C 928  15.726  15.314  16.923
  232   1H4     C 928          1H4         C 928  10.967  16.742  21.324
  233   2H4     C 928          2H4         C 928  10.167  16.706  19.768
  234    H5     C 928           H5         C 928  13.343  16.460  21.595
  235    H6     C 928           H6         C 928  15.476  16.138  20.430
  236   1H5*    C 929          1H5*        C 929  17.456  19.486  15.643
  237   2H5*    C 929          2H5*        C 929  17.886  21.205  15.571
  238    H4*    C 929           H4*        C 929  16.089  20.742  14.004
  239    H3*    C 929           H3*        C 929  15.169  22.276  16.455
  240    H2*    C 929           H2*        C 929  13.032  22.425  15.488
  241   2HO*    C 929          2HO*        C 929  13.531  21.340  13.025
  242    H1*    C 929           H1*        C 929  13.088  19.892  14.282
  243   1H4     C 929          1H4         C 929  10.810  19.223  20.478
  244   2H4     C 929          2H4         C 929   9.390  19.354  19.463
  245    H5     C 929           H5         C 929  13.059  19.442  19.634
  246    H6     C 929           H6         C 929  14.429  19.877  17.647
  247    H3T    C 929           H3T        C 929  15.262  23.372  13.908
  Start of MODEL   11
    1   1H5*    G 907          1H5*        G 907  -1.066  20.782  16.965
    2   2H5*    G 907          2H5*        G 907  -1.358  19.301  16.029
    3    H4*    G 907           H4*        G 907   0.149  20.763  14.808
    4    H3*    G 907           H3*        G 907   1.581  18.338  15.959
    5    H2*    G 907           H2*        G 907   3.522  19.109  14.830
    6   2HO*    G 907          2HO*        G 907   1.660  20.618  13.344
    7    H1*    G 907           H1*        G 907   3.169  21.771  15.448
    8    H8     G 907           H8         G 907   2.193  19.960  18.562
    9    H1     G 907           H1         G 907   8.538  20.018  17.707
   10   1H2     G 907          1H2         G 907   7.795  21.124  14.488
   11   2H2     G 907          2H2         G 907   9.026  20.688  15.651
   12    H5T    G 907           H5T        G 907  -0.751  18.307  17.754
   13   1H5*    G 908          1H5*        G 908   2.758  18.668  12.190
   14   2H5*    G 908          2H5*        G 908   2.756  17.168  11.243
   15    H4*    G 908           H4*        G 908   4.940  18.233  11.110
   16    H3*    G 908           H3*        G 908   4.980  15.701  12.815
   17    H2*    G 908           H2*        G 908   7.340  15.993  12.893
   18   2HO*    G 908          2HO*        G 908   8.447  17.276  11.453
   19    H1*    G 908           H1*        G 908   7.274  18.767  13.117
   20    H8     G 908           H8         G 908   4.685  17.308  15.449
   21    H1     G 908           H1         G 908  10.654  16.887  17.739
   22   1H2     G 908          1H2         G 908  11.621  17.833  14.526
   23   2H2     G 908          2H2         G 908  12.117  17.387  16.143
   24   1H5*    G 909          1H5*        G 909   8.004  15.445  10.191
   25   2H5*    G 909          2H5*        G 909   8.108  13.907   9.309
   26    H4*    G 909           H4*        G 909  10.257  14.416  10.315
   27    H3*    G 909           H3*        G 909   8.993  12.045  11.751
   28    H2*    G 909           H2*        G 909  10.878  12.014  13.151
   29   2HO*    G 909          2HO*        G 909  12.506  13.814  11.933
   30    H1*    G 909           H1*        G 909  11.367  14.786  13.154
   31    H8     G 909           H8         G 909   7.750  14.104  14.011
   32    H1     G 909           H1         G 909  11.716  13.309  18.978
   33   1H2     G 909          1H2         G 909  14.246  13.520  16.591
   34   2H2     G 909          2H2         G 909  13.822  13.316  18.275
   35   1H5*    G 910          1H5*        G 910  11.219   8.036  11.762
   36   2H5*    G 910          2H5*        G 910  10.563   9.303  12.817
   37    H4*    G 910           H4*        G 910  13.534   8.784  12.540
   38    H3*    G 910           H3*        G 910  11.566   7.538  14.527
   39    H2*    G 910           H2*        G 910  13.345   7.585  16.111
   40   2HO*    G 910          2HO*        G 910  15.330   7.343  15.482
   41    H1*    G 910           H1*        G 910  14.211  10.107  15.460
   42    H8     G 910           H8         G 910  10.549  10.550  15.241
   43    H1     G 910           H1         G 910  12.416   9.667  21.308
   44   1H2     G 910          1H2         G 910  15.452   8.686  19.906
   45   2H2     G 910          2H2         G 910  14.515   8.946  21.360
   46   1H5*    A 911          1H5*        A 911  14.712   5.508  15.221
   47   2H5*    A 911          2H5*        A 911  14.493   3.749  15.175
   48    H4*    A 911           H4*        A 911  15.490   4.363  17.285
   49    H3*    A 911           H3*        A 911  12.577   3.534  17.502
   50    H2*    A 911           H2*        A 911  12.793   3.750  19.847
   51   2HO*    A 911          2HO*        A 911  14.707   3.657  20.894
   52    H1*    A 911           H1*        A 911  14.377   6.025  19.832
   53    H8     A 911           H8         A 911  11.628   6.369  17.241
   54   1H6     A 911          1H6         A 911   7.932   8.203  21.835
   55   2H6     A 911          2H6         A 911   8.095   8.024  20.103
   56    H2     A 911           H2         A 911  11.762   6.719  23.659
   57   1H5*    G 912          1H5*        G 912  14.487   1.599  20.315
   58   2H5*    G 912          2H5*        G 912  14.390  -0.169  20.189
   59    H4*    G 912           H4*        G 912  13.890   0.490  22.459
   60    H3*    G 912           H3*        G 912  11.744  -0.760  20.835
   61    H2*    G 912           H2*        G 912   9.966   0.296  21.815
   62   2HO*    G 912          2HO*        G 912  10.918   0.245  24.418
   63    H1*    G 912           H1*        G 912  11.448   1.962  23.724
   64    H8     G 912           H8         G 912  10.742   2.783  20.008
   65    H1     G 912           H1         G 912   6.897   5.678  24.234
   66   1H2     G 912          1H2         G 912   8.530   3.685  26.591
   67   2H2     G 912          2H2         G 912   7.307   4.895  26.281
   68   1H5*    U 913          1H5*        U 913  12.735  -1.383  25.273
   69   2H5*    U 913          2H5*        U 913  12.520  -3.074  25.767
   70    H4*    U 913           H4*        U 913  12.081  -1.635  27.660
   71    H3*    U 913           H3*        U 913   9.797  -3.250  26.586
   72    H2*    U 913           H2*        U 913   8.118  -1.964  27.498
   73   2HO*    U 913          2HO*        U 913   8.365  -1.956  29.595
   74    H1*    U 913           H1*        U 913   9.337   0.516  27.830
   75    H3     U 913           H3         U 913   6.780   2.346  24.676
   76    H5     U 913           H5         U 913   7.733  -1.404  23.001
   77    H6     U 913           H6         U 913   9.022  -1.893  24.999
   78   1H5*    G 914          1H5*        G 914   6.727  -4.781  29.570
   79   2H5*    G 914          2H5*        G 914   7.077  -3.796  28.132
   80    H4*    G 914           H4*        G 914   6.227  -2.655  30.814
   81    H3*    G 914           H3*        G 914   4.501  -3.355  28.399
   82    H2*    G 914           H2*        G 914   3.237  -1.425  28.870
   83   2HO*    G 914          2HO*        G 914   3.250  -0.432  30.903
   84    H1*    G 914           H1*        G 914   5.358   0.129  29.875
   85    H8     G 914           H8         G 914   6.322  -1.311  26.523
   86    H1     G 914           H1         G 914   2.447   3.774  26.107
   87   1H2     G 914          1H2         G 914   2.058   3.353  29.548
   88   2H2     G 914          2H2         G 914   1.638   4.271  28.120
   89   1H5*    G 915          1H5*        G 915   2.107  -2.473  31.686
   90   2H5*    G 915          2H5*        G 915   0.807  -3.661  31.911
   91    H4*    G 915           H4*        G 915  -0.146  -1.457  32.031
   92    H3*    G 915           H3*        G 915  -0.736  -2.754  29.383
   93    H2*    G 915           H2*        G 915  -2.177  -0.922  28.959
   94   2HO*    G 915          2HO*        G 915  -1.949   0.352  31.390
   95    H1*    G 915           H1*        G 915  -0.494   0.971  30.177
   96    H8     G 915           H8         G 915   1.416  -1.346  27.839
   97    H1     G 915           H1         G 915  -1.656   3.390  24.807
   98   1H2     G 915          1H2         G 915  -3.109   4.018  27.912
   99   2H2     G 915          2H2         G 915  -2.983   4.465  26.226
  100   1H5*    U 916          1H5*        U 916  -4.140  -1.430  31.018
  101   2H5*    U 916          2H5*        U 916  -5.477  -2.595  31.015
  102    H4*    U 916           H4*        U 916  -6.258  -0.505  30.091
  103    H3*    U 916           H3*        U 916  -5.915  -2.668  27.970
  104    H2*    U 916           H2*        U 916  -6.575  -1.134  26.316
  105   2HO*    U 916          2HO*        U 916  -7.872   0.141  28.468
  106    H1*    U 916           H1*        U 916  -5.491   1.166  27.484
  107    H3     U 916           H3         U 916  -3.143   0.941  23.631
  108    H5     U 916           H5         U 916  -1.749  -2.361  25.852
  109    H6     U 916           H6         U 916  -3.438  -1.866  27.522
  110   1H5*    U 917          1H5*        U 917  -9.041  -0.752  27.082
  111   2H5*    U 917          2H5*        U 917 -10.571  -1.620  26.850
  112    H4*    U 917           H4*        U 917 -10.175  -0.146  24.961
  113    H3*    U 917           H3*        U 917 -10.505  -2.883  24.826
  114    H2*    U 917           H2*        U 917  -8.555  -3.549  23.812
  115   2HO*    U 917          2HO*        U 917  -9.719  -2.160  21.610
  116    H1*    U 917           H1*        U 917  -8.042  -0.880  22.545
  117    H3     U 917           H3         U 917  -3.678  -1.648  22.063
  118    H5     U 917           H5         U 917  -4.656  -4.013  25.415
  119    H6     U 917           H6         U 917  -6.935  -3.201  25.238
  120   1H5*    U 918          1H5*        U 918 -10.404  -4.234  20.189
  121   2H5*    U 918          2H5*        U 918  -9.148  -2.979  20.215
  122    H4*    U 918           H4*        U 918 -10.356  -3.922  17.936
  123    H3*    U 918           H3*        U 918  -8.385  -2.260  18.257
  124    H2*    U 918           H2*        U 918  -9.609  -0.238  18.532
  125   2HO*    U 918          2HO*        U 918  -9.165  -0.861  15.873
  126    H1*    U 918           H1*        U 918 -11.823  -1.021  16.681
  127    H3     U 918           H3         U 918 -14.824   1.752  18.360
  128    H5     U 918           H5         U 918 -12.215   1.191  21.628
  129    H6     U 918           H6         U 918 -10.941  -0.359  20.252
  130   1H5*    G 919          1H5*        G 919  -6.209  -1.050  14.377
  131   2H5*    G 919          2H5*        G 919  -7.219  -0.967  15.832
  132    H4*    G 919           H4*        G 919  -8.427  -0.620  13.089
  133    H3*    G 919           H3*        G 919  -6.869   1.332  14.730
  134    H2*    G 919           H2*        G 919  -8.554   2.915  14.663
  135   2HO*    G 919          2HO*        G 919  -9.192   3.614  12.789
  136    H1*    G 919           H1*        G 919 -10.606   1.088  13.619
  137    H8     G 919           H8         G 919  -9.232   1.578  17.227
  138    H1     G 919           H1         G 919 -15.056   4.028  16.188
  139   1H2     G 919          1H2         G 919 -15.667   3.687  14.090
  140   2H2     G 919          2H2         G 919 -14.647   2.862  12.935
  141   1H5*    U 920          1H5*        U 920  -4.917   0.385  14.953
  142   2H5*    U 920          2H5*        U 920  -5.080   1.704  13.779
  143    H4*    U 920           H4*        U 920  -2.880   1.744  14.888
  144    H3*    U 920           H3*        U 920  -3.346   1.953  12.254
  145    H2*    U 920           H2*        U 920  -2.481   0.000  11.374
  146   2HO*    U 920          2HO*        U 920  -0.644   1.784  11.459
  147    H1*    U 920           H1*        U 920  -0.565  -0.637  13.523
  148    H3     U 920           H3         U 920  -0.984  -5.032  12.940
  149    H5     U 920           H5         U 920  -4.553  -3.530  11.273
  150    H6     U 920           H6         U 920  -3.887  -1.315  12.005
  151   1H5*    A 921          1H5*        A 921  -4.804   3.922  13.478
  152   2H5*    A 921          2H5*        A 921  -4.365   5.628  13.708
  153    H4*    A 921           H4*        A 921  -6.142   5.043  15.247
  154    H3*    A 921           H3*        A 921  -3.469   5.318  16.728
  155    H2*    A 921           H2*        A 921  -4.741   5.047  18.724
  156   2HO*    A 921          2HO*        A 921  -7.226   4.869  17.513
  157    H1*    A 921           H1*        A 921  -6.313   3.013  17.750
  158    H8     A 921           H8         A 921  -2.758   2.606  16.461
  159   1H6     A 921          1H6         A 921  -1.494  -0.227  21.805
  160   2H6     A 921          2H6         A 921  -0.898   0.155  20.206
  161    H2     A 921           H2         A 921  -5.600   1.566  22.127
  162   1H5*    U 922          1H5*        U 922  -5.871   7.738  18.777
  163   2H5*    U 922          2H5*        U 922  -5.126   9.283  19.230
  164    H4*    U 922           H4*        U 922  -5.885   8.141  21.225
  165    H3*    U 922           H3*        U 922  -2.859   8.135  21.001
  166    H2*    U 922           H2*        U 922  -2.851   7.157  23.175
  167   2HO*    U 922          2HO*        U 922  -5.130   6.837  24.112
  168    H1*    U 922           H1*        U 922  -4.851   5.360  22.671
  169    H3     U 922           H3         U 922  -0.973   2.960  22.717
  170    H5     U 922           H5         U 922  -1.085   4.739  18.897
  171    H6     U 922           H6         U 922  -3.033   5.997  19.613
  172   1H5*    C 923          1H5*        C 923  -3.946   9.412  24.596
  173   2H5*    C 923          2H5*        C 923  -2.969  10.701  25.324
  174    H4*    C 923           H4*        C 923  -3.101   8.665  26.737
  175    H3*    C 923           H3*        C 923  -0.275   9.318  25.719
  176    H2*    C 923           H2*        C 923   0.427   7.561  27.162
  177   2HO*    C 923          2HO*        C 923  -1.387   6.580  28.519
  178    H1*    C 923           H1*        C 923  -1.691   5.867  26.594
  179   1H4     C 923          1H4         C 923   2.778   5.223  21.735
  180   2H4     C 923          2H4         C 923   3.183   3.992  22.910
  181    H5     C 923           H5         C 923   1.039   6.851  22.077
  182    H6     C 923           H6         C 923  -0.677   7.672  23.626
  183   1H5*    C 924          1H5*        C 924   0.256   8.730  29.448
  184   2H5*    C 924          2H5*        C 924   1.195   9.968  30.303
  185    H4*    C 924           H4*        C 924   2.246   7.803  30.611
  186    H3*    C 924           H3*        C 924   3.873   9.560  28.717
  187    H2*    C 924           H2*        C 924   5.502   7.826  28.775
  188   2HO*    C 924          2HO*        C 924   4.050   6.375  30.714
  189    H1*    C 924           H1*        C 924   3.691   5.751  28.606
  190   1H4     C 924          1H4         C 924   4.444   8.202  22.495
  191   2H4     C 924          2H4         C 924   5.621   6.915  22.635
  192    H5     C 924           H5         C 924   3.049   8.919  24.324
  193    H6     C 924           H6         C 924   2.494   8.569  26.687
  194   1H5*    U 925          1H5*        U 925   6.364   8.250  31.477
  195   2H5*    U 925          2H5*        U 925   7.586   9.408  32.039
  196    H4*    U 925           H4*        U 925   8.655   7.415  31.124
  197    H3*    U 925           H3*        U 925   9.005   9.862  29.316
  198    H2*    U 925           H2*        U 925  10.476   8.495  28.046
  199   2HO*    U 925          2HO*        U 925  11.034   6.345  28.902
  200    H1*    U 925           H1*        U 925   8.940   6.192  28.246
  201    H3     U 925           H3         U 925   8.904   7.467  23.863
  202    H5     U 925           H5         U 925   6.076   9.966  25.740
  203    H6     U 925           H6         U 925   6.803   9.073  27.877
  204   1H5*    U 926          1H5*        U 926  12.611   8.399  29.799
  205   2H5*    U 926          2H5*        U 926  13.870   9.579  30.208
  206    H4*    U 926           H4*        U 926  14.559   8.331  28.253
  207    H3*    U 926           H3*        U 926  13.917  11.229  27.548
  208    H2*    U 926           H2*        U 926  14.378  10.700  25.318
  209   2HO*    U 926          2HO*        U 926  16.256   9.689  25.252
  210    H1*    U 926           H1*        U 926  13.415   8.089  25.265
  211    H3     U 926           H3         U 926  10.730  10.325  22.358
  212    H5     U 926           H5         U 926   9.395  11.539  26.167
  213    H6     U 926           H6         U 926  11.279  10.352  27.133
  214   1H5*    C 927          1H5*        C 927  17.172  13.992  26.247
  215   2H5*    C 927          2H5*        C 927  15.559  13.365  25.854
  216    H4*    C 927           H4*        C 927  18.057  12.856  24.202
  217    H3*    C 927           H3*        C 927  15.895  14.952  23.835
  218    H2*    C 927           H2*        C 927  16.139  14.665  21.490
  219   2HO*    C 927          2HO*        C 927  17.862  13.481  20.597
  220    H1*    C 927           H1*        C 927  16.277  11.926  21.537
  221   1H4     C 927          1H4         C 927   9.908  13.572  22.413
  222   2H4     C 927          2H4         C 927  10.134  13.508  20.680
  223    H5     C 927           H5         C 927  11.710  13.285  23.990
  224    H6     C 927           H6         C 927  14.120  12.902  24.243
  225   1H5*    C 928          1H5*        C 928  18.776  15.791  21.241
  226   2H5*    C 928          2H5*        C 928  19.274  17.492  21.186
  227    H4*    C 928           H4*        C 928  18.725  16.742  18.952
  228    H3*    C 928           H3*        C 928  16.586  18.655  20.048
  229    H2*    C 928           H2*        C 928  15.667  18.551  17.842
  230   2HO*    C 928          2HO*        C 928  18.238  17.650  17.199
  231    H1*    C 928           H1*        C 928  15.930  15.842  17.558
  232   1H4     C 928          1H4         C 928  10.762  16.957  21.569
  233   2H4     C 928          2H4         C 928  10.097  16.919  19.951
  234    H5     C 928           H5         C 928  13.118  16.780  22.032
  235    H6     C 928           H6         C 928  15.352  16.580  21.046
  236   1H5*    C 929          1H5*        C 929  17.545  20.053  16.510
  237   2H5*    C 929          2H5*        C 929  17.911  21.787  16.458
  238    H4*    C 929           H4*        C 929  16.242  21.238  14.777
  239    H3*    C 929           H3*        C 929  15.121  22.762  17.144
  240    H2*    C 929           H2*        C 929  13.039  22.817  16.071
  241   2HO*    C 929          2HO*        C 929  12.944  22.161  13.762
  242    H1*    C 929           H1*        C 929  13.290  20.301  14.823
  243   1H4     C 929          1H4         C 929  10.474  19.463  20.773
  244   2H4     C 929          2H4         C 929   9.152  19.546  19.631
  245    H5     C 929           H5         C 929  12.781  19.783  20.145
  246    H6     C 929           H6         C 929  14.311  20.298  18.298
  247    H3T    C 929           H3T        C 929  16.348  23.320  14.704
  Start of MODEL   12
    1   1H5*    G 907          1H5*        G 907  -1.244  20.599  17.520
    2   2H5*    G 907          2H5*        G 907  -1.517  19.310  16.329
    3    H4*    G 907           H4*        G 907  -0.013  20.984  15.408
    4    H3*    G 907           H3*        G 907   1.420  18.396  16.105
    5    H2*    G 907           H2*        G 907   3.367  19.359  15.166
    6   2HO*    G 907          2HO*        G 907   1.590  20.650  13.625
    7    H1*    G 907           H1*        G 907   2.968  21.894  16.206
    8    H8     G 907           H8         G 907   2.080  19.681  19.041
    9    H1     G 907           H1         G 907   8.397  19.733  17.997
   10   1H2     G 907          1H2         G 907   7.584  21.262  14.975
   11   2H2     G 907          2H2         G 907   8.839  20.655  16.032
   12    H5T    G 907           H5T        G 907  -1.126  18.460  18.391
   13   1H5*    G 908          1H5*        G 908   2.616  19.425  12.492
   14   2H5*    G 908          2H5*        G 908   2.585  18.142  11.266
   15    H4*    G 908           H4*        G 908   4.787  19.164  11.323
   16    H3*    G 908           H3*        G 908   4.783  16.353  12.448
   17    H2*    G 908           H2*        G 908   7.117  16.577  12.676
   18   2HO*    G 908          2HO*        G 908   6.789  18.585  10.708
   19    H1*    G 908           H1*        G 908   7.132  19.309  13.332
   20    H8     G 908           H8         G 908   4.593  17.499  15.465
   21    H1     G 908           H1         G 908  10.615  16.696  17.500
   22   1H2     G 908          1H2         G 908  11.506  18.147  14.457
   23   2H2     G 908          2H2         G 908  12.040  17.443  15.967
   24   1H5*    G 909          1H5*        G 909   6.959  12.988  10.307
   25   2H5*    G 909          2H5*        G 909   6.731  13.806  11.869
   26    H4*    G 909           H4*        G 909   9.261  14.151  10.251
   27    H3*    G 909           H3*        G 909   8.582  11.805  12.022
   28    H2*    G 909           H2*        G 909  10.597  11.994  13.188
   29   2HO*    G 909          2HO*        G 909  11.777  12.099  11.128
   30    H1*    G 909           H1*        G 909  10.950  14.746  13.104
   31    H8     G 909           H8         G 909   7.396  14.299  14.141
   32    H1     G 909           H1         G 909  11.489  12.944  18.878
   33   1H2     G 909          1H2         G 909  13.913  12.981  16.376
   34   2H2     G 909          2H2         G 909  13.549  12.758  18.071
   35   1H5*    G 910          1H5*        G 910  10.849   7.911  11.692
   36   2H5*    G 910          2H5*        G 910  10.179   9.119  12.805
   37    H4*    G 910           H4*        G 910  13.153   8.735  12.373
   38    H3*    G 910           H3*        G 910  11.285   7.432  14.421
   39    H2*    G 910           H2*        G 910  13.093   7.523  15.972
   40   2HO*    G 910          2HO*        G 910  14.585   7.399  13.729
   41    H1*    G 910           H1*        G 910  13.872  10.068  15.320
   42    H8     G 910           H8         G 910  10.220  10.476  15.138
   43    H1     G 910           H1         G 910  12.105   9.443  21.176
   44   1H2     G 910          1H2         G 910  15.141   8.509  19.742
   45   2H2     G 910          2H2         G 910  14.207   8.728  21.204
   46   1H5*    A 911          1H5*        A 911  14.448   5.428  15.121
   47   2H5*    A 911          2H5*        A 911  14.227   3.671  15.032
   48    H4*    A 911           H4*        A 911  15.203   4.215  17.164
   49    H3*    A 911           H3*        A 911  12.271   3.423  17.348
   50    H2*    A 911           H2*        A 911  12.485   3.587  19.698
   51   2HO*    A 911          2HO*        A 911  15.307   3.821  19.362
   52    H1*    A 911           H1*        A 911  14.071   5.852  19.739
   53    H8     A 911           H8         A 911  11.384   6.269  17.099
   54   1H6     A 911          1H6         A 911   7.591   8.017  21.647
   55   2H6     A 911          2H6         A 911   7.792   7.876  19.914
   56    H2     A 911           H2         A 911  11.369   6.466  23.524
   57   1H5*    G 912          1H5*        G 912  14.127   1.330  20.133
   58   2H5*    G 912          2H5*        G 912  13.982  -0.426  19.915
   59    H4*    G 912           H4*        G 912  13.469   0.107  22.206
   60    H3*    G 912           H3*        G 912  11.226  -0.912  20.527
   61    H2*    G 912           H2*        G 912   9.540   0.047  21.742
   62   2HO*    G 912          2HO*        G 912  11.117  -0.933  23.858
   63    H1*    G 912           H1*        G 912  11.118   1.678  23.560
   64    H8     G 912           H8         G 912  10.504   2.634  19.879
   65    H1     G 912           H1         G 912   6.434   5.258  24.073
   66   1H2     G 912          1H2         G 912   7.989   3.163  26.394
   67   2H2     G 912          2H2         G 912   6.766   4.376  26.094
   68   1H5*    U 913          1H5*        U 913   9.510  -3.533  25.090
   69   2H5*    U 913          2H5*        U 913   9.894  -1.810  24.922
   70    H4*    U 913           H4*        U 913  11.371  -3.680  26.795
   71    H3*    U 913           H3*        U 913   8.804  -2.226  27.286
   72    H2*    U 913           H2*        U 913   9.603  -0.907  28.978
   73   2HO*    U 913          2HO*        U 913  11.150  -3.190  29.646
   74    H1*    U 913           H1*        U 913  12.431  -1.299  28.657
   75    H3     U 913           H3         U 913  12.107   3.153  29.458
   76    H5     U 913           H5         U 913  10.639   2.658  25.536
   77    H6     U 913           H6         U 913  10.705   0.257  25.887
   78   1H5*    G 914          1H5*        G 914   8.089  -2.974  30.294
   79   2H5*    G 914          2H5*        G 914   6.882  -4.230  30.649
   80    H4*    G 914           H4*        G 914   6.087  -2.091  31.471
   81    H3*    G 914           H3*        G 914   4.587  -3.025  28.977
   82    H2*    G 914           H2*        G 914   3.237  -1.107  29.199
   83   2HO*    G 914          2HO*        G 914   3.722  -1.524  31.851
   84    H1*    G 914           H1*        G 914   5.231   0.574  30.262
   85    H8     G 914           H8         G 914   6.526  -1.029  27.112
   86    H1     G 914           H1         G 914   2.493   3.827  26.022
   87   1H2     G 914          1H2         G 914   1.818   3.608  29.437
   88   2H2     G 914          2H2         G 914   1.489   4.413  27.919
   89   1H5*    G 915          1H5*        G 915   1.894  -2.027  32.023
   90   2H5*    G 915          2H5*        G 915   0.638  -3.264  32.232
   91    H4*    G 915           H4*        G 915  -0.415  -1.101  32.168
   92    H3*    G 915           H3*        G 915  -0.801  -2.576  29.572
   93    H2*    G 915           H2*        G 915  -2.286  -0.834  28.966
   94   2HO*    G 915          2HO*        G 915  -2.400  -0.430  31.749
   95    H1*    G 915           H1*        G 915  -0.754   1.200  30.153
   96    H8     G 915           H8         G 915   1.374  -1.175  28.070
   97    H1     G 915           H1         G 915  -1.688   3.250  24.591
   98   1H2     G 915          1H2         G 915  -3.338   4.002  27.568
   99   2H2     G 915          2H2         G 915  -3.132   4.355  25.868
  100   1H5*    U 916          1H5*        U 916  -4.358  -1.343  30.982
  101   2H5*    U 916          2H5*        U 916  -5.637  -2.571  30.959
  102    H4*    U 916           H4*        U 916  -6.456  -0.564  29.892
  103    H3*    U 916           H3*        U 916  -5.903  -2.807  27.894
  104    H2*    U 916           H2*        U 916  -6.539  -1.375  26.142
  105   2HO*    U 916          2HO*        U 916  -7.843   0.429  26.453
  106    H1*    U 916           H1*        U 916  -5.615   1.019  27.254
  107    H3     U 916           H3         U 916  -3.008   0.767  23.583
  108    H5     U 916           H5         U 916  -1.694  -2.461  25.955
  109    H6     U 916           H6         U 916  -3.490  -1.964  27.509
  110   1H5*    U 917          1H5*        U 917  -9.133  -1.125  26.756
  111   2H5*    U 917          2H5*        U 917 -10.582  -2.124  26.536
  112    H4*    U 917           H4*        U 917 -10.267  -0.766  24.563
  113    H3*    U 917           H3*        U 917 -10.192  -3.533  24.554
  114    H2*    U 917           H2*        U 917  -8.301  -3.962  23.337
  115   2HO*    U 917          2HO*        U 917  -9.179  -4.210  21.428
  116    H1*    U 917           H1*        U 917  -8.030  -1.193  22.260
  117    H3     U 917           H3         U 917  -3.633  -1.694  21.728
  118    H5     U 917           H5         U 917  -4.410  -4.041  25.144
  119    H6     U 917           H6         U 917  -6.745  -3.411  24.962
  120   1H5*    U 918          1H5*        U 918  -9.853  -1.472  21.079
  121   2H5*    U 918          2H5*        U 918 -11.486  -1.129  20.472
  122    H4*    U 918           H4*        U 918  -9.923  -2.529  18.454
  123    H3*    U 918           H3*        U 918  -8.126  -1.111  19.746
  124    H2*    U 918           H2*        U 918  -8.658   1.117  19.344
  125   2HO*    U 918          2HO*        U 918  -8.468   0.426  16.594
  126    H1*    U 918           H1*        U 918 -10.542   1.014  17.188
  127    H3     U 918           H3         U 918 -13.739   3.342  19.213
  128    H5     U 918           H5         U 918 -11.448   1.906  22.451
  129    H6     U 918           H6         U 918 -10.113   0.645  20.855
  130   1H5*    G 919          1H5*        G 919  -8.332  -1.421  15.135
  131   2H5*    G 919          2H5*        G 919  -6.862  -1.212  14.163
  132    H4*    G 919           H4*        G 919  -8.585   0.099  13.149
  133    H3*    G 919           H3*        G 919  -6.377   1.542  14.395
  134    H2*    G 919           H2*        G 919  -7.611   3.438  14.823
  135   2HO*    G 919          2HO*        G 919  -8.976   3.383  12.384
  136    H1*    G 919           H1*        G 919 -10.146   2.417  13.647
  137    H8     G 919           H8         G 919  -8.501   2.861  17.164
  138    H1     G 919           H1         G 919 -14.108   5.842  16.352
  139   1H2     G 919          1H2         G 919 -14.936   5.386  14.352
  140   2H2     G 919          2H2         G 919 -14.113   4.353  13.205
  141   1H5*    U 920          1H5*        U 920  -5.010  -0.489  15.072
  142   2H5*    U 920          2H5*        U 920  -4.798   1.177  14.498
  143    H4*    U 920           H4*        U 920  -2.636   0.341  15.128
  144    H3*    U 920           H3*        U 920  -3.199   1.144  12.417
  145    H2*    U 920           H2*        U 920  -2.798  -0.883  11.363
  146   2HO*    U 920          2HO*        U 920  -0.734  -0.983  10.686
  147    H1*    U 920           H1*        U 920  -0.885  -1.801  13.494
  148    H3     U 920           H3         U 920  -1.096  -6.120  12.435
  149    H5     U 920           H5         U 920  -4.515  -4.534  10.547
  150    H6     U 920           H6         U 920  -4.002  -2.392  11.564
  151   1H5*    A 921          1H5*        A 921  -4.159   2.990  13.269
  152   2H5*    A 921          2H5*        A 921  -3.627   4.682  13.364
  153    H4*    A 921           H4*        A 921  -5.569   4.393  14.772
  154    H3*    A 921           H3*        A 921  -3.023   4.698  16.445
  155    H2*    A 921           H2*        A 921  -4.449   4.666  18.360
  156   2HO*    A 921          2HO*        A 921  -6.885   4.338  17.404
  157    H1*    A 921           H1*        A 921  -5.965   2.560  17.539
  158    H8     A 921           H8         A 921  -2.388   2.061  16.319
  159   1H6     A 921          1H6         A 921  -1.198  -0.358  21.881
  160   2H6     A 921          2H6         A 921  -0.578  -0.095  20.265
  161    H2     A 921           H2         A 921  -5.316   1.430  22.002
  162   1H5*    U 922          1H5*        U 922  -5.453   7.337  18.108
  163   2H5*    U 922          2H5*        U 922  -4.691   8.887  18.512
  164    H4*    U 922           H4*        U 922  -5.624   7.899  20.518
  165    H3*    U 922           H3*        U 922  -2.594   7.823  20.507
  166    H2*    U 922           H2*        U 922  -2.748   6.974  22.730
  167   2HO*    U 922          2HO*        U 922  -5.551   7.490  22.617
  168    H1*    U 922           H1*        U 922  -4.731   5.173  22.201
  169    H3     U 922           H3         U 922  -0.885   2.750  22.586
  170    H5     U 922           H5         U 922  -0.776   4.315  18.674
  171    H6     U 922           H6         U 922  -2.745   5.627  19.214
  172   1H5*    C 923          1H5*        C 923  -3.905   9.296  23.934
  173   2H5*    C 923          2H5*        C 923  -2.955  10.593  24.684
  174    H4*    C 923           H4*        C 923  -3.241   8.610  26.153
  175    H3*    C 923           H3*        C 923  -0.336   9.197  25.340
  176    H2*    C 923           H2*        C 923   0.230   7.483  26.892
  177   2HO*    C 923          2HO*        C 923  -1.684   6.557  28.133
  178    H1*    C 923           H1*        C 923  -1.839   5.782  26.203
  179   1H4     C 923          1H4         C 923   2.974   5.025  21.702
  180   2H4     C 923          2H4         C 923   3.288   3.821  22.931
  181    H5     C 923           H5         C 923   1.219   6.664  21.878
  182    H6     C 923           H6         C 923  -0.604   7.520  23.277
  183   1H5*    C 924          1H5*        C 924  -0.056   8.753  29.116
  184   2H5*    C 924          2H5*        C 924   0.883   9.993  29.970
  185    H4*    C 924           H4*        C 924   1.869   7.822  30.391
  186    H3*    C 924           H3*        C 924   3.596   9.477  28.495
  187    H2*    C 924           H2*        C 924   5.181   7.706  28.644
  188   2HO*    C 924          2HO*        C 924   4.918   6.009  30.165
  189    H1*    C 924           H1*        C 924   3.341   5.672  28.444
  190   1H4     C 924          1H4         C 924   4.239   8.084  22.337
  191   2H4     C 924          2H4         C 924   5.387   6.776  22.501
  192    H5     C 924           H5         C 924   2.829   8.838  24.140
  193    H6     C 924           H6         C 924   2.226   8.508  26.495
  194   1H5*    U 925          1H5*        U 925   6.009   8.191  31.316
  195   2H5*    U 925          2H5*        U 925   7.239   9.342  31.873
  196    H4*    U 925           H4*        U 925   8.295   7.318  31.011
  197    H3*    U 925           H3*        U 925   8.696   9.728  29.165
  198    H2*    U 925           H2*        U 925  10.169   8.322  27.937
  199   2HO*    U 925          2HO*        U 925  10.106   6.053  29.417
  200    H1*    U 925           H1*        U 925   8.597   6.048  28.143
  201    H3     U 925           H3         U 925   8.621   7.288  23.750
  202    H5     U 925           H5         U 925   5.803   9.833  25.579
  203    H6     U 925           H6         U 925   6.497   8.949  27.730
  204   1H5*    U 926          1H5*        U 926  12.266   8.228  29.683
  205   2H5*    U 926          2H5*        U 926  13.541   9.392  30.092
  206    H4*    U 926           H4*        U 926  14.226   8.114  28.156
  207    H3*    U 926           H3*        U 926  13.637  11.017  27.437
  208    H2*    U 926           H2*        U 926  14.092  10.481  25.209
  209   2HO*    U 926          2HO*        U 926  15.355   8.114  26.177
  210    H1*    U 926           H1*        U 926  13.091   7.886  25.150
  211    H3     U 926           H3         U 926  10.450  10.175  22.241
  212    H5     U 926           H5         U 926   9.114  11.381  26.053
  213    H6     U 926           H6         U 926  10.980  10.167  27.020
  214   1H5*    C 927          1H5*        C 927  16.928  13.714  26.139
  215   2H5*    C 927          2H5*        C 927  15.311  13.109  25.726
  216    H4*    C 927           H4*        C 927  17.824  12.580  24.102
  217    H3*    C 927           H3*        C 927  15.674  14.697  23.739
  218    H2*    C 927           H2*        C 927  15.907  14.422  21.389
  219   2HO*    C 927          2HO*        C 927  17.731  12.616  20.977
  220    H1*    C 927           H1*        C 927  16.007  11.689  21.410
  221   1H4     C 927          1H4         C 927   9.672  13.373  22.435
  222   2H4     C 927          2H4         C 927   9.872  13.390  20.698
  223    H5     C 927           H5         C 927  11.494  12.999  23.970
  224    H6     C 927           H6         C 927  13.904  12.583  24.170
  225   1H5*    C 928          1H5*        C 928  18.570  15.596  21.139
  226   2H5*    C 928          2H5*        C 928  19.059  17.300  21.140
  227    H4*    C 928           H4*        C 928  18.523  16.626  18.881
  228    H3*    C 928           H3*        C 928  16.342  18.472  20.035
  229    H2*    C 928           H2*        C 928  15.448  18.434  17.811
  230   2HO*    C 928          2HO*        C 928  16.579  17.645  16.070
  231    H1*    C 928           H1*        C 928  15.730  15.740  17.454
  232   1H4     C 928          1H4         C 928  10.569  16.685  21.518
  233   2H4     C 928          2H4         C 928   9.898  16.699  19.901
  234    H5     C 928           H5         C 928  12.927  16.502  21.966
  235    H6     C 928           H6         C 928  15.160  16.350  20.966
  236   1H5*    C 929          1H5*        C 929  17.292  20.083  16.534
  237   2H5*    C 929          2H5*        C 929  17.639  21.820  16.619
  238    H4*    C 929           H4*        C 929  16.008  21.411  14.875
  239    H3*    C 929           H3*        C 929  14.779  22.681  17.345
  240    H2*    C 929           H2*        C 929  12.738  22.803  16.176
  241   2HO*    C 929          2HO*        C 929  12.849  22.171  13.804
  242    H1*    C 929           H1*        C 929  13.033  20.370  14.832
  243   1H4     C 929          1H4         C 929  10.362  19.152  20.784
  244   2H4     C 929          2H4         C 929   9.014  19.275  19.675
  245    H5     C 929           H5         C 929  12.649  19.547  20.128
  246    H6     C 929           H6         C 929  14.131  20.190  18.282
  247    H3T    C 929           H3T        C 929  15.274  24.506  16.344
  Start of MODEL   13
    1   1H5*    G 907          1H5*        G 907   0.168  22.569  17.975
    2   2H5*    G 907          2H5*        G 907  -0.364  21.325  16.823
    3    H4*    G 907           H4*        G 907   1.332  22.730  15.796
    4    H3*    G 907           H3*        G 907   2.386  19.961  16.475
    5    H2*    G 907           H2*        G 907   4.407  20.606  15.417
    6   2HO*    G 907          2HO*        G 907   2.739  22.307  14.060
    7    H1*    G 907           H1*        G 907   4.470  23.165  16.452
    8    H8     G 907           H8         G 907   3.314  21.025  19.285
    9    H1     G 907           H1         G 907   9.580  20.342  18.157
   10   1H2     G 907          1H2         G 907   8.929  22.049  15.191
   11   2H2     G 907          2H2         G 907  10.111  21.263  16.213
   12    H5T    G 907           H5T        G 907   0.333  19.850  18.122
   13   1H5*    G 908          1H5*        G 908   3.527  20.767  12.759
   14   2H5*    G 908          2H5*        G 908   3.253  19.477  11.571
   15    H4*    G 908           H4*        G 908   5.574  20.192  11.487
   16    H3*    G 908           H3*        G 908   5.250  17.422  12.705
   17    H2*    G 908           H2*        G 908   7.609  17.328  12.763
   18   2HO*    G 908          2HO*        G 908   7.386  18.739  10.519
   19    H1*    G 908           H1*        G 908   8.026  20.030  13.375
   20    H8     G 908           H8         G 908   5.363  18.573  15.640
   21    H1     G 908           H1         G 908  11.325  17.077  17.448
   22   1H2     G 908          1H2         G 908  12.258  18.386  14.353
   23   2H2     G 908          2H2         G 908  12.766  17.637  15.850
   24   1H5*    G 909          1H5*        G 909   6.560  13.666  10.711
   25   2H5*    G 909          2H5*        G 909   6.676  14.612  12.211
   26    H4*    G 909           H4*        G 909   9.014  14.194  10.328
   27    H3*    G 909           H3*        G 909   8.204  12.442  12.732
   28    H2*    G 909           H2*        G 909  10.509  12.292  13.320
   29   2HO*    G 909          2HO*        G 909  10.925  12.219  10.797
   30    H1*    G 909           H1*        G 909  11.169  14.892  12.814
   31    H8     G 909           H8         G 909   7.855  15.436  14.316
   32    H1     G 909           H1         G 909  12.066  13.365  18.678
   33   1H2     G 909          1H2         G 909  14.033  12.530  15.927
   34   2H2     G 909          2H2         G 909  13.865  12.550  17.667
   35   1H5*    G 910          1H5*        G 910  11.444  10.477  11.129
   36   2H5*    G 910          2H5*        G 910  11.090   8.770  10.799
   37    H4*    G 910           H4*        G 910  13.173   8.922  12.020
   38    H3*    G 910           H3*        G 910  10.920   7.874  13.815
   39    H2*    G 910           H2*        G 910  12.635   7.497  15.435
   40   2HO*    G 910          2HO*        G 910  14.230   7.429  13.202
   41    H1*    G 910           H1*        G 910  13.886   9.902  15.025
   42    H8     G 910           H8         G 910  10.191  10.586  14.742
   43    H1     G 910           H1         G 910  12.108   9.822  20.809
   44   1H2     G 910          1H2         G 910  15.097   8.716  19.401
   45   2H2     G 910          2H2         G 910  14.187   9.043  20.857
   46   1H5*    A 911          1H5*        A 911  13.664   5.285  14.442
   47   2H5*    A 911          2H5*        A 911  13.137   3.599  14.282
   48    H4*    A 911           H4*        A 911  14.162   3.916  16.450
   49    H3*    A 911           H3*        A 911  11.128   3.615  16.579
   50    H2*    A 911           H2*        A 911  11.353   3.616  18.935
   51   2HO*    A 911          2HO*        A 911  14.066   3.705  19.183
   52    H1*    A 911           H1*        A 911  13.348   5.551  19.060
   53    H8     A 911           H8         A 911  10.685   6.595  16.570
   54   1H6     A 911          1H6         A 911   7.445   8.731  21.372
   55   2H6     A 911          2H6         A 911   7.553   8.657  19.628
   56    H2     A 911           H2         A 911  10.946   6.423  22.991
   57   1H5*    G 912          1H5*        G 912  12.612   0.883  19.211
   58   2H5*    G 912          2H5*        G 912  11.997  -0.749  18.876
   59    H4*    G 912           H4*        G 912  11.657  -0.279  21.210
   60    H3*    G 912           H3*        G 912   8.995  -0.308  19.705
   61    H2*    G 912           H2*        G 912   7.903   0.554  21.552
   62   2HO*    G 912          2HO*        G 912   9.868  -0.893  22.929
   63    H1*    G 912           H1*        G 912  10.048   1.883  22.825
   64    H8     G 912           H8         G 912   9.367   2.965  19.229
   65    H1     G 912           H1         G 912   5.840   6.027  23.612
   66   1H2     G 912          1H2         G 912   7.136   3.662  25.831
   67   2H2     G 912          2H2         G 912   6.095   5.048  25.600
   68   1H5*    U 913          1H5*        U 913   7.442  -3.321  24.260
   69   2H5*    U 913          2H5*        U 913   8.138  -1.691  24.191
   70    H4*    U 913           H4*        U 913   9.594  -4.064  25.386
   71    H3*    U 913           H3*        U 913   7.529  -2.345  26.682
   72    H2*    U 913           H2*        U 913   8.914  -1.465  28.280
   73   2HO*    U 913          2HO*        U 913   9.158  -3.698  29.069
   74    H1*    U 913           H1*        U 913  11.479  -2.157  27.210
   75    H3     U 913           H3         U 913  11.916   2.144  28.648
   76    H5     U 913           H5         U 913   9.812   2.396  25.004
   77    H6     U 913           H6         U 913   9.573  -0.019  25.051
   78   1H5*    G 914          1H5*        G 914   6.967  -3.556  29.541
   79   2H5*    G 914          2H5*        G 914   5.672  -4.747  29.795
   80    H4*    G 914           H4*        G 914   5.154  -2.726  31.028
   81    H3*    G 914           H3*        G 914   3.380  -3.098  28.563
   82    H2*    G 914           H2*        G 914   2.243  -1.138  29.234
   83   2HO*    G 914          2HO*        G 914   3.183  -1.881  31.758
   84    H1*    G 914           H1*        G 914   4.462   0.215  30.259
   85    H8     G 914           H8         G 914   5.383  -1.132  26.865
   86    H1     G 914           H1         G 914   1.715   4.115  26.613
   87   1H2     G 914          1H2         G 914   1.275   3.579  30.031
   88   2H2     G 914          2H2         G 914   0.907   4.566  28.636
   89   1H5*    G 915          1H5*        G 915   0.949  -2.410  31.810
   90   2H5*    G 915          2H5*        G 915  -0.437  -3.516  31.890
   91    H4*    G 915           H4*        G 915  -1.224  -1.244  32.106
   92    H3*    G 915           H3*        G 915  -1.844  -2.363  29.364
   93    H2*    G 915           H2*        G 915  -3.131  -0.401  29.033
   94   2HO*    G 915          2HO*        G 915  -3.000   0.945  31.293
   95    H1*    G 915           H1*        G 915  -1.325   1.288  30.351
   96    H8     G 915           H8         G 915   0.461  -1.086  27.973
   97    H1     G 915           H1         G 915  -2.166   3.973  25.048
   98   1H2     G 915          1H2         G 915  -3.648   4.602  28.140
   99   2H2     G 915          2H2         G 915  -3.444   5.097  26.474
  100   1H5*    U 916          1H5*        U 916  -5.211  -0.945  30.916
  101   2H5*    U 916          2H5*        U 916  -6.623  -2.006  30.757
  102    H4*    U 916           H4*        U 916  -7.160   0.182  29.871
  103    H3*    U 916           H3*        U 916  -6.858  -1.931  27.686
  104    H2*    U 916           H2*        U 916  -7.279  -0.284  26.065
  105   2HO*    U 916          2HO*        U 916  -8.376   1.302  28.163
  106    H1*    U 916           H1*        U 916  -6.097   1.872  27.407
  107    H3     U 916           H3         U 916  -3.533   1.642  23.696
  108    H5     U 916           H5         U 916  -2.554  -1.869  25.812
  109    H6     U 916           H6         U 916  -4.299  -1.318  27.404
  110   1H5*    U 917          1H5*        U 917  -9.764   0.158  26.596
  111   2H5*    U 917          2H5*        U 917 -11.322  -0.622  26.255
  112    H4*    U 917           H4*        U 917 -10.663   0.806  24.391
  113    H3*    U 917           H3*        U 917 -11.330  -1.868  24.184
  114    H2*    U 917           H2*        U 917  -9.287  -2.763  23.583
  115   2HO*    U 917          2HO*        U 917 -10.366  -3.040  21.624
  116    H1*    U 917           H1*        U 917  -8.411  -0.262  22.157
  117    H3     U 917           H3         U 917  -4.098  -1.385  22.141
  118    H5     U 917           H5         U 917  -5.575  -3.485  25.486
  119    H6     U 917           H6         U 917  -7.751  -2.504  25.055
  120   1H5*    U 918          1H5*        U 918 -10.058   0.241  20.432
  121   2H5*    U 918          2H5*        U 918 -11.387   0.137  19.259
  122    H4*    U 918           H4*        U 918  -9.443   0.390  17.925
  123    H3*    U 918           H3*        U 918 -10.896  -1.824  17.603
  124    H2*    U 918           H2*        U 918  -9.435  -3.368  18.627
  125   2HO*    U 918          2HO*        U 918  -8.712  -4.432  16.971
  126    H1*    U 918           H1*        U 918  -6.981  -1.833  17.770
  127    H3     U 918           H3         U 918  -4.194  -3.830  20.549
  128    H5     U 918           H5         U 918  -7.852  -4.101  22.634
  129    H6     U 918           H6         U 918  -8.907  -2.913  20.792
  130   1H5*    G 919          1H5*        G 919  -7.286  -0.927  16.060
  131   2H5*    G 919          2H5*        G 919  -6.782  -0.793  14.364
  132    H4*    G 919           H4*        G 919  -5.121  -1.451  16.420
  133    H3*    G 919           H3*        G 919  -4.799  -1.008  13.763
  134    H2*    G 919           H2*        G 919  -5.663  -3.110  13.066
  135   2HO*    G 919          2HO*        G 919  -3.299  -4.389  13.349
  136    H1*    G 919           H1*        G 919  -4.128  -4.624  15.165
  137    H8     G 919           H8         G 919  -7.949  -4.223  14.699
  138    H1     G 919           H1         G 919  -5.656  -9.966  13.037
  139   1H2     G 919          1H2         G 919  -3.455 -10.006  13.259
  140   2H2     G 919          2H2         G 919  -2.539  -8.622  13.808
  141   1H5*    U 920          1H5*        U 920  -3.710  -0.536  11.898
  142   2H5*    U 920          2H5*        U 920  -2.788   0.916  11.467
  143    H4*    U 920           H4*        U 920  -5.111   1.490  11.975
  144    H3*    U 920           H3*        U 920  -3.035   2.188  14.020
  145    H2*    U 920           H2*        U 920  -4.616   3.270  15.398
  146   2HO*    U 920          2HO*        U 920  -6.743   3.202  13.633
  147    H1*    U 920           H1*        U 920  -6.730   1.539  14.709
  148    H3     U 920           H3         U 920  -6.697   0.170  18.939
  149    H5     U 920           H5         U 920  -2.592   0.252  17.985
  150    H6     U 920           H6         U 920  -3.193   0.971  15.747
  151   1H5*    A 921          1H5*        A 921  -5.350   5.251  13.683
  152   2H5*    A 921          2H5*        A 921  -4.794   6.891  14.081
  153    H4*    A 921           H4*        A 921  -6.554   6.091  15.624
  154    H3*    A 921           H3*        A 921  -3.818   6.394  17.040
  155    H2*    A 921           H2*        A 921  -5.051   5.981  19.035
  156   2HO*    A 921          2HO*        A 921  -7.547   5.668  18.329
  157    H1*    A 921           H1*        A 921  -6.611   3.979  17.939
  158    H8     A 921           H8         A 921  -3.045   3.642  16.683
  159   1H6     A 921          1H6         A 921  -1.815   0.619  21.931
  160   2H6     A 921          2H6         A 921  -1.207   1.059  20.350
  161    H2     A 921           H2         A 921  -5.927   2.388  22.286
  162   1H5*    U 922          1H5*        U 922  -6.295   8.644  19.204
  163   2H5*    U 922          2H5*        U 922  -5.596  10.171  19.774
  164    H4*    U 922           H4*        U 922  -6.356   8.864  21.670
  165    H3*    U 922           H3*        U 922  -3.333   8.980  21.510
  166    H2*    U 922           H2*        U 922  -3.329   7.853  23.602
  167   2HO*    U 922          2HO*        U 922  -5.601   7.419  24.501
  168    H1*    U 922           H1*        U 922  -5.306   6.055  22.959
  169    H3     U 922           H3         U 922  -1.424   3.668  23.014
  170    H5     U 922           H5         U 922  -1.383   5.682  19.310
  171    H6     U 922           H6         U 922  -3.369   6.885  20.017
  172   1H5*    C 923          1H5*        C 923  -4.694  10.026  25.145
  173   2H5*    C 923          2H5*        C 923  -3.833  11.338  25.973
  174    H4*    C 923           H4*        C 923  -3.966   9.278  27.336
  175    H3*    C 923           H3*        C 923  -1.132  10.047  26.493
  176    H2*    C 923           H2*        C 923  -0.423   8.292  27.925
  177   2HO*    C 923          2HO*        C 923  -2.983   7.743  28.917
  178    H1*    C 923           H1*        C 923  -2.481   6.539  27.259
  179   1H4     C 923          1H4         C 923   2.294   5.991  22.684
  180   2H4     C 923          2H4         C 923   2.601   4.719  23.846
  181    H5     C 923           H5         C 923   0.547   7.625  22.948
  182    H6     C 923           H6         C 923  -1.269   8.418  24.395
  183   1H5*    C 924          1H5*        C 924   2.061  11.544  29.586
  184   2H5*    C 924          2H5*        C 924   1.713  10.961  27.946
  185    H4*    C 924           H4*        C 924   2.040   9.110  30.324
  186    H3*    C 924           H3*        C 924   4.158  10.201  28.430
  187    H2*    C 924           H2*        C 924   5.187   8.067  28.424
  188   2HO*    C 924          2HO*        C 924   3.545   6.761  30.184
  189    H1*    C 924           H1*        C 924   2.886   6.584  28.255
  190   1H4     C 924          1H4         C 924   3.974   9.012  22.190
  191   2H4     C 924          2H4         C 924   4.905   7.534  22.263
  192    H5     C 924           H5         C 924   2.784   9.917  24.080
  193    H6     C 924           H6         C 924   2.243   9.610  26.452
  194   1H5*    U 925          1H5*        U 925   6.316   8.298  31.045
  195   2H5*    U 925          2H5*        U 925   7.743   9.176  31.632
  196    H4*    U 925           H4*        U 925   8.431   7.092  30.591
  197    H3*    U 925           H3*        U 925   9.087   9.548  28.901
  198    H2*    U 925           H2*        U 925  10.261   8.071  27.457
  199   2HO*    U 925          2HO*        U 925   9.898   5.852  29.153
  200    H1*    U 925           H1*        U 925   8.400   6.018  27.597
  201    H3     U 925           H3         U 925   8.327   7.622  23.325
  202    H5     U 925           H5         U 925   6.020  10.362  25.548
  203    H6     U 925           H6         U 925   6.714   9.206  27.568
  204   1H5*    U 926          1H5*        U 926  12.427   7.541  29.024
  205   2H5*    U 926          2H5*        U 926  13.874   8.480  29.438
  206    H4*    U 926           H4*        U 926  14.251   7.322  27.348
  207    H3*    U 926           H3*        U 926  14.010  10.331  26.956
  208    H2*    U 926           H2*        U 926  14.227   9.993  24.660
  209   2HO*    U 926          2HO*        U 926  15.345   8.333  23.789
  210    H1*    U 926           H1*        U 926  12.952   7.512  24.444
  211    H3     U 926           H3         U 926  10.427  10.265  21.858
  212    H5     U 926           H5         U 926   9.463  11.365  25.811
  213    H6     U 926           H6         U 926  11.224   9.885  26.583
  214   1H5*    C 927          1H5*        C 927  17.588  12.689  25.687
  215   2H5*    C 927          2H5*        C 927  15.885  12.349  25.329
  216    H4*    C 927           H4*        C 927  18.221  11.683  23.505
  217    H3*    C 927           H3*        C 927  16.321  14.042  23.456
  218    H2*    C 927           H2*        C 927  16.375  13.949  21.084
  219   2HO*    C 927          2HO*        C 927  18.173  11.853  20.852
  220    H1*    C 927           H1*        C 927  16.158  11.231  20.870
  221   1H4     C 927          1H4         C 927  10.138  13.509  22.483
  222   2H4     C 927          2H4         C 927  10.226  13.645  20.741
  223    H5     C 927           H5         C 927  11.996  12.803  23.847
  224    H6     C 927           H6         C 927  14.348  12.108  23.840
  225   1H5*    C 928          1H5*        C 928  19.184  14.728  20.743
  226   2H5*    C 928          2H5*        C 928  19.912  16.342  20.818
  227    H4*    C 928           H4*        C 928  19.206  15.892  18.552
  228    H3*    C 928           H3*        C 928  17.370  17.960  19.894
  229    H2*    C 928           H2*        C 928  16.391  18.181  17.723
  230   2HO*    C 928          2HO*        C 928  17.826  16.398  16.294
  231    H1*    C 928           H1*        C 928  16.278  15.498  17.193
  232   1H4     C 928          1H4         C 928  11.417  16.911  21.484
  233   2H4     C 928          2H4         C 928  10.709  17.106  19.896
  234    H5     C 928           H5         C 928  13.739  16.383  21.838
  235    H6     C 928           H6         C 928  15.899  15.982  20.752
  236   1H5*    C 929          1H5*        C 929  18.456  19.555  16.456
  237   2H5*    C 929          2H5*        C 929  19.037  21.227  16.557
  238    H4*    C 929           H4*        C 929  17.284  21.059  14.880
  239    H3*    C 929           H3*        C 929  16.395  22.469  17.413
  240    H2*    C 929           H2*        C 929  14.325  22.892  16.393
  241   2HO*    C 929          2HO*        C 929  14.089  23.186  14.288
  242    H1*    C 929           H1*        C 929  14.228  20.486  14.935
  243   1H4     C 929          1H4         C 929  11.490  19.478  20.895
  244   2H4     C 929          2H4         C 929  10.157  19.818  19.813
  245    H5     C 929           H5         C 929  13.801  19.572  20.213
  246    H6     C 929           H6         C 929  15.335  20.057  18.361
  247    H3T    C 929           H3T        C 929  16.794  23.651  14.900
  Start of MODEL   14
    1   1H5*    G 907          1H5*        G 907  -1.362  19.395  16.581
    2   2H5*    G 907          2H5*        G 907  -1.501  18.015  15.471
    3    H4*    G 907           H4*        G 907  -0.091  19.733  14.485
    4    H3*    G 907           H3*        G 907   1.496  17.308  15.394
    5    H2*    G 907           H2*        G 907   3.402  18.346  14.451
    6   2HO*    G 907          2HO*        G 907   1.596  19.391  12.767
    7    H1*    G 907           H1*        G 907   2.781  20.913  15.294
    8    H8     G 907           H8         G 907   1.982  18.835  18.256
    9    H1     G 907           H1         G 907   8.304  19.316  17.368
   10   1H2     G 907          1H2         G 907   7.468  20.567  14.227
   11   2H2     G 907          2H2         G 907   8.733  20.135  15.354
   12    H5T    G 907           H5T        G 907  -0.913  16.914  17.147
   13   1H5*    G 908          1H5*        G 908   2.720  18.189  11.736
   14   2H5*    G 908          2H5*        G 908   2.817  16.827  10.602
   15    H4*    G 908           H4*        G 908   4.935  18.012  10.634
   16    H3*    G 908           H3*        G 908   5.104  15.294  11.959
   17    H2*    G 908           H2*        G 908   7.408  15.706  12.223
   18   2HO*    G 908          2HO*        G 908   7.141  16.875   9.877
   19    H1*    G 908           H1*        G 908   7.209  18.469  12.681
   20    H8     G 908           H8         G 908   4.752  16.588  14.863
   21    H1     G 908           H1         G 908  10.741  16.491  17.134
   22   1H2     G 908          1H2         G 908  11.610  17.815  14.027
   23   2H2     G 908          2H2         G 908  12.149  17.266  15.598
   24   1H5*    G 909          1H5*        G 909   7.573  11.945  10.106
   25   2H5*    G 909          2H5*        G 909   7.223  12.839  11.602
   26    H4*    G 909           H4*        G 909   9.783  13.267  10.054
   27    H3*    G 909           H3*        G 909   9.214  11.017  11.978
   28    H2*    G 909           H2*        G 909  11.170  11.449  13.179
   29   2HO*    G 909          2HO*        G 909  12.957  11.950  12.176
   30    H1*    G 909           H1*        G 909  11.328  14.210  12.863
   31    H8     G 909           H8         G 909   7.810  13.649  13.907
   32    H1     G 909           H1         G 909  11.902  12.823  18.765
   33   1H2     G 909          1H2         G 909  14.351  12.790  16.288
   34   2H2     G 909          2H2         G 909  13.977  12.672  17.992
   35   1H5*    G 910          1H5*        G 910  11.744   7.268  11.981
   36   2H5*    G 910          2H5*        G 910  10.947   8.494  12.986
   37    H4*    G 910           H4*        G 910  13.956   8.306  12.681
   38    H3*    G 910           H3*        G 910  12.108   7.015  14.751
   39    H2*    G 910           H2*        G 910  13.844   7.338  16.350
   40   2HO*    G 910          2HO*        G 910  15.927   8.072  15.681
   41    H1*    G 910           H1*        G 910  14.486   9.879  15.530
   42    H8     G 910           H8         G 910  10.818  10.023  15.245
   43    H1     G 910           H1         G 910  12.618   9.575  21.380
   44   1H2     G 910          1H2         G 910  15.745   8.747  20.080
   45   2H2     G 910          2H2         G 910  14.762   9.010  21.503
   46   1H5*    A 911          1H5*        A 911  15.294   5.216  15.707
   47   2H5*    A 911          2H5*        A 911  15.154   3.449  15.761
   48    H4*    A 911           H4*        A 911  15.957   4.241  17.894
   49    H3*    A 911           H3*        A 911  13.064   3.319  17.952
   50    H2*    A 911           H2*        A 911  13.109   3.669  20.291
   51   2HO*    A 911          2HO*        A 911  14.916   3.598  21.469
   52    H1*    A 911           H1*        A 911  14.653   5.983  20.237
   53    H8     A 911           H8         A 911  12.009   6.108  17.520
   54   1H6     A 911          1H6         A 911   8.082   8.110  21.843
   55   2H6     A 911          2H6         A 911   8.320   7.834  20.132
   56    H2     A 911           H2         A 911  11.864   6.830  23.906
   57   1H5*    G 912          1H5*        G 912  14.819   1.504  21.013
   58   2H5*    G 912          2H5*        G 912  14.690  -0.266  20.949
   59    H4*    G 912           H4*        G 912  14.019   0.479  23.141
   60    H3*    G 912           H3*        G 912  11.828  -0.658  21.427
   61    H2*    G 912           H2*        G 912  10.117   0.352  22.565
   62   2HO*    G 912          2HO*        G 912  11.630   0.059  24.960
   63    H1*    G 912           H1*        G 912  11.671   2.148  24.239
   64    H8     G 912           H8         G 912  11.108   2.771  20.481
   65    H1     G 912           H1         G 912   6.954   5.721  24.363
   66   1H2     G 912          1H2         G 912   8.483   3.848  26.883
   67   2H2     G 912          2H2         G 912   7.256   5.020  26.458
   68   1H5*    U 913          1H5*        U 913  12.788  -1.394  25.810
   69   2H5*    U 913          2H5*        U 913  12.542  -3.089  26.271
   70    H4*    U 913           H4*        U 913  12.118  -1.671  28.186
   71    H3*    U 913           H3*        U 913   9.825  -3.216  27.013
   72    H2*    U 913           H2*        U 913   8.149  -1.949  27.956
   73   2HO*    U 913          2HO*        U 913  10.014  -1.374  30.025
   74    H1*    U 913           H1*        U 913   9.427   0.490  28.427
   75    H3     U 913           H3         U 913   6.786   2.494  25.457
   76    H5     U 913           H5         U 913   7.848  -1.064  23.461
   77    H6     U 913           H6         U 913   9.138  -1.697  25.417
   78   1H5*    G 914          1H5*        G 914   6.691  -4.875  29.855
   79   2H5*    G 914          2H5*        G 914   7.050  -3.790  28.494
   80    H4*    G 914           H4*        G 914   6.181  -2.843  31.245
   81    H3*    G 914           H3*        G 914   4.454  -3.344  28.768
   82    H2*    G 914           H2*        G 914   3.191  -1.461  29.428
   83   2HO*    G 914          2HO*        G 914   3.898  -2.308  31.910
   84    H1*    G 914           H1*        G 914   5.325   0.013  30.488
   85    H8     G 914           H8         G 914   6.290  -1.227  27.063
   86    H1     G 914           H1         G 914   2.372   3.840  26.933
   87   1H2     G 914          1H2         G 914   1.986   3.221  30.343
   88   2H2     G 914          2H2         G 914   1.562   4.217  28.971
   89   1H5*    G 915          1H5*        G 915   1.938  -2.763  31.938
   90   2H5*    G 915          2H5*        G 915   0.636  -3.966  32.023
   91    H4*    G 915           H4*        G 915  -0.325  -1.761  32.174
   92    H3*    G 915           H3*        G 915  -0.789  -2.947  29.435
   93    H2*    G 915           H2*        G 915  -2.212  -1.093  29.045
   94   2HO*    G 915          2HO*        G 915  -2.095  -0.663  31.864
   95    H1*    G 915           H1*        G 915  -0.580   0.730  30.432
   96    H8     G 915           H8         G 915   1.509  -1.388  28.092
   97    H1     G 915           H1         G 915  -1.665   3.297  25.088
   98   1H2     G 915          1H2         G 915  -3.302   3.722  28.136
   99   2H2     G 915          2H2         G 915  -3.117   4.243  26.478
  100   1H5*    U 916          1H5*        U 916  -4.281  -1.687  30.816
  101   2H5*    U 916          2H5*        U 916  -5.560  -2.915  30.772
  102    H4*    U 916           H4*        U 916  -6.394  -0.878  29.779
  103    H3*    U 916           H3*        U 916  -5.829  -3.056  27.717
  104    H2*    U 916           H2*        U 916  -6.471  -1.594  25.997
  105   2HO*    U 916          2HO*        U 916  -8.049  -0.477  28.016
  106    H1*    U 916           H1*        U 916  -5.626   0.795  27.211
  107    H3     U 916           H3         U 916  -3.149   0.715  23.422
  108    H5     U 916           H5         U 916  -1.521  -2.381  25.773
  109    H6     U 916           H6         U 916  -3.314  -2.023  27.369
  110   1H5*    U 917          1H5*        U 917  -9.072  -1.470  26.462
  111   2H5*    U 917          2H5*        U 917 -10.473  -2.551  26.317
  112    H4*    U 917           H4*        U 917 -10.219  -1.271  24.270
  113    H3*    U 917           H3*        U 917 -10.259  -4.066  24.413
  114    H2*    U 917           H2*        U 917  -8.094  -4.531  23.754
  115   2HO*    U 917          2HO*        U 917  -8.637  -5.386  21.901
  116    H1*    U 917           H1*        U 917  -7.921  -2.088  22.005
  117    H3     U 917           H3         U 917  -3.471  -2.132  21.752
  118    H5     U 917           H5         U 917  -4.203  -4.208  25.348
  119    H6     U 917           H6         U 917  -6.574  -3.811  25.015
  120   1H5*    U 918          1H5*        U 918  -8.575  -3.549  20.145
  121   2H5*    U 918          2H5*        U 918  -9.829  -2.512  20.857
  122    H4*    U 918           H4*        U 918 -10.055  -3.563  18.015
  123    H3*    U 918           H3*        U 918  -7.985  -2.042  18.693
  124    H2*    U 918           H2*        U 918  -9.080   0.007  19.029
  125   2HO*    U 918          2HO*        U 918  -8.174  -0.090  16.721
  126    H1*    U 918           H1*        U 918 -11.380  -0.673  17.220
  127    H3     U 918           H3         U 918 -13.767   2.678  18.847
  128    H5     U 918           H5         U 918 -12.064   1.016  22.331
  129    H6     U 918           H6         U 918 -10.874  -0.561  20.910
  130   1H5*    G 919          1H5*        G 919  -7.711  -1.047  13.417
  131   2H5*    G 919          2H5*        G 919  -6.273  -0.115  13.876
  132    H4*    G 919           H4*        G 919  -7.410   1.544  12.814
  133    H3*    G 919           H3*        G 919  -7.414   2.084  15.433
  134    H2*    G 919           H2*        G 919  -9.525   1.073  15.915
  135   2HO*    G 919          2HO*        G 919 -10.946   3.193  15.081
  136    H1*    G 919           H1*        G 919 -10.840   2.101  13.428
  137    H8     G 919           H8         G 919  -9.961  -1.412  14.884
  138    H1     G 919           H1         G 919 -16.214  -0.227  14.181
  139   1H2     G 919          1H2         G 919 -16.520   1.787  13.320
  140   2H2     G 919          2H2         G 919 -15.192   2.851  12.921
  141   1H5*    U 920          1H5*        U 920  -5.764   1.748  14.527
  142   2H5*    U 920          2H5*        U 920  -4.645   2.928  15.236
  143    H4*    U 920           H4*        U 920  -3.391   1.130  14.174
  144    H3*    U 920           H3*        U 920  -3.390   3.705  12.603
  145    H2*    U 920           H2*        U 920  -2.017   2.764  10.958
  146   2HO*    U 920          2HO*        U 920  -0.758   1.736  12.996
  147    H1*    U 920           H1*        U 920  -2.958   0.103  11.372
  148    H3     U 920           H3         U 920  -4.304   0.088   7.135
  149    H5     U 920           H5         U 920  -5.367   3.964   8.406
  150    H6     U 920           H6         U 920  -4.511   3.407  10.607
  151   1H5*    A 921          1H5*        A 921  -3.713   5.275  13.692
  152   2H5*    A 921          2H5*        A 921  -3.408   6.914  14.307
  153    H4*    A 921           H4*        A 921  -5.321   5.973  15.457
  154    H3*    A 921           H3*        A 921  -2.890   6.066  17.287
  155    H2*    A 921           H2*        A 921  -4.315   5.298  19.001
  156   2HO*    A 921          2HO*        A 921  -6.680   5.368  17.549
  157    H1*    A 921           H1*        A 921  -5.769   3.532  17.414
  158    H8     A 921           H8         A 921  -2.262   2.900  16.409
  159   1H6     A 921          1H6         A 921  -1.444  -0.203  21.690
  160   2H6     A 921          2H6         A 921  -0.771   0.154  20.116
  161    H2     A 921           H2         A 921  -5.334   2.024  21.983
  162   1H5*    U 922          1H5*        U 922  -5.762   7.925  19.316
  163   2H5*    U 922          2H5*        U 922  -5.250   9.447  20.073
  164    H4*    U 922           H4*        U 922  -6.142   7.969  21.768
  165    H3*    U 922           H3*        U 922  -3.121   8.280  21.928
  166    H2*    U 922           H2*        U 922  -3.212   6.990  23.924
  167   2HO*    U 922          2HO*        U 922  -5.627   6.333  24.431
  168    H1*    U 922           H1*        U 922  -4.952   5.104  22.969
  169    H3     U 922           H3         U 922  -0.871   3.079  23.100
  170    H5     U 922           H5         U 922  -0.788   5.412  19.591
  171    H6     U 922           H6         U 922  -2.919   6.365  20.253
  172   1H5*    C 923          1H5*        C 923  -4.593   8.914  25.549
  173   2H5*    C 923          2H5*        C 923  -3.934  10.315  26.414
  174    H4*    C 923           H4*        C 923  -3.743   8.295  27.772
  175    H3*    C 923           H3*        C 923  -1.048   9.309  26.764
  176    H2*    C 923           H2*        C 923  -0.084   7.642  28.148
  177   2HO*    C 923          2HO*        C 923  -1.558   6.438  29.616
  178    H1*    C 923           H1*        C 923  -2.015   5.698  27.633
  179   1H4     C 923          1H4         C 923   2.482   5.498  22.760
  180   2H4     C 923          2H4         C 923   3.010   4.314  23.936
  181    H5     C 923           H5         C 923   0.586   6.942  23.101
  182    H6     C 923           H6         C 923  -1.199   7.588  24.654
  183   1H5*    C 924          1H5*        C 924   2.145  11.128  29.423
  184   2H5*    C 924          2H5*        C 924   1.753  10.192  27.968
  185    H4*    C 924           H4*        C 924   2.362   8.805  30.577
  186    H3*    C 924           H3*        C 924   4.371   9.976  28.612
  187    H2*    C 924           H2*        C 924   5.706   8.042  28.889
  188   2HO*    C 924          2HO*        C 924   4.019   7.345  31.083
  189    H1*    C 924           H1*        C 924   3.664   6.209  28.868
  190   1H4     C 924          1H4         C 924   4.622   7.992  22.562
  191   2H4     C 924          2H4         C 924   5.768   6.703  22.851
  192    H5     C 924           H5         C 924   3.224   8.925  24.290
  193    H6     C 924           H6         C 924   2.638   8.837  26.670
  194   1H5*    U 925          1H5*        U 925   6.675   8.774  31.560
  195   2H5*    U 925          2H5*        U 925   7.894   9.956  32.075
  196    H4*    U 925           H4*        U 925   8.998   7.912  31.383
  197    H3*    U 925           H3*        U 925   9.302  10.182  29.374
  198    H2*    U 925           H2*        U 925  10.790   8.770  28.183
  199   2HO*    U 925          2HO*        U 925  10.762   6.908  30.331
  200    H1*    U 925           H1*        U 925   9.339   6.435  28.584
  201    H3     U 925           H3         U 925   9.199   7.341  24.116
  202    H5     U 925           H5         U 925   6.334   9.917  25.827
  203    H6     U 925           H6         U 925   7.115   9.221  28.019
  204   1H5*    U 926          1H5*        U 926  12.952   8.868  29.899
  205   2H5*    U 926          2H5*        U 926  14.170  10.115  30.230
  206    H4*    U 926           H4*        U 926  14.892   8.784  28.344
  207    H3*    U 926           H3*        U 926  14.101  11.604  27.531
  208    H2*    U 926           H2*        U 926  14.514  11.031  25.309
  209   2HO*    U 926          2HO*        U 926  15.779   8.595  25.857
  210    H1*    U 926           H1*        U 926  13.769   8.334  25.393
  211    H3     U 926           H3         U 926  10.913  10.145  22.361
  212    H5     U 926           H5         U 926   9.522  11.559  26.080
  213    H6     U 926           H6         U 926  11.487  10.580  27.115
  214   1H5*    C 927          1H5*        C 927  17.169  14.439  26.034
  215   2H5*    C 927          2H5*        C 927  15.605  13.689  25.659
  216    H4*    C 927           H4*        C 927  18.147  13.291  24.043
  217    H3*    C 927           H3*        C 927  15.833  15.207  23.588
  218    H2*    C 927           H2*        C 927  16.100  14.843  21.255
  219   2HO*    C 927          2HO*        C 927  18.520  13.461  21.879
  220    H1*    C 927           H1*        C 927  16.428  12.129  21.407
  221   1H4     C 927          1H4         C 927   9.965  13.332  22.305
  222   2H4     C 927          2H4         C 927  10.181  13.275  20.570
  223    H5     C 927           H5         C 927  11.795  13.189  23.868
  224    H6     C 927           H6         C 927  14.228  12.986  24.105
  225   1H5*    C 928          1H5*        C 928  18.685  16.191  20.959
  226   2H5*    C 928          2H5*        C 928  19.042  17.925  20.870
  227    H4*    C 928           H4*        C 928  18.595  17.089  18.647
  228    H3*    C 928           H3*        C 928  16.263  18.828  19.662
  229    H2*    C 928           H2*        C 928  15.411  18.589  17.439
  230   2HO*    C 928          2HO*        C 928  17.493  17.050  16.456
  231    H1*    C 928           H1*        C 928  15.914  15.909  17.233
  232   1H4     C 928          1H4         C 928  10.602  16.659  21.139
  233   2H4     C 928          2H4         C 928   9.970  16.527  19.513
  234    H5     C 928           H5         C 928  12.956  16.695  21.641
  235    H6     C 928           H6         C 928  15.216  16.668  20.693
  236   1H5*    C 929          1H5*        C 929  17.206  20.299  16.099
  237   2H5*    C 929          2H5*        C 929  17.407  22.061  16.070
  238    H4*    C 929           H4*        C 929  15.854  21.385  14.330
  239    H3*    C 929           H3*        C 929  14.488  22.745  16.675
  240    H2*    C 929           H2*        C 929  12.464  22.622  15.484
  241   2HO*    C 929          2HO*        C 929  12.789  23.296  13.478
  242    H1*    C 929           H1*        C 929  12.980  20.133  14.303
  243   1H4     C 929          1H4         C 929  10.213  19.099  20.244
  244   2H4     C 929          2H4         C 929   8.895  19.053  19.094
  245    H5     C 929           H5         C 929  12.485  19.622  19.627
  246    H6     C 929           H6         C 929  13.974  20.257  17.784
  247    H3T    C 929           H3T        C 929  14.621  24.515  15.317
  Start of MODEL   15
    1   1H5*    G 907          1H5*        G 907  -0.671  20.384  17.953
    2   2H5*    G 907          2H5*        G 907  -1.073  19.029  16.878
    3    H4*    G 907           H4*        G 907   0.380  20.592  15.719
    4    H3*    G 907           H3*        G 907   1.817  18.018  16.464
    5    H2*    G 907           H2*        G 907   3.697  18.876  15.302
    6   2HO*    G 907          2HO*        G 907   3.489  20.849  14.058
    7    H1*    G 907           H1*        G 907   3.467  21.461  16.236
    8    H8     G 907           H8         G 907   2.669  19.285  19.174
    9    H1     G 907           H1         G 907   8.942  19.429  17.901
   10   1H2     G 907          1H2         G 907   7.996  20.934  14.904
   11   2H2     G 907          2H2         G 907   9.298  20.350  15.917
   12    H5T    G 907           H5T        G 907  -0.302  17.783  18.348
   13   1H5*    G 908          1H5*        G 908   2.695  18.801  12.681
   14   2H5*    G 908          2H5*        G 908   2.579  17.437  11.552
   15    H4*    G 908           H4*        G 908   4.774  18.462  11.375
   16    H3*    G 908           H3*        G 908   4.888  15.717  12.666
   17    H2*    G 908           H2*        G 908   7.228  15.984  12.695
   18   2HO*    G 908          2HO*        G 908   7.661  16.623  10.636
   19    H1*    G 908           H1*        G 908   7.263  18.741  13.201
   20    H8     G 908           H8         G 908   4.891  16.998  15.583
   21    H1     G 908           H1         G 908  11.042  16.460  17.286
   22   1H2     G 908          1H2         G 908  11.710  17.773  14.127
   23   2H2     G 908          2H2         G 908  12.352  17.163  15.634
   24   1H5*    G 909          1H5*        G 909   6.895  12.231  10.464
   25   2H5*    G 909          2H5*        G 909   6.740  13.082  12.016
   26    H4*    G 909           H4*        G 909   9.172  13.401  10.245
   27    H3*    G 909           H3*        G 909   8.650  11.158  12.196
   28    H2*    G 909           H2*        G 909  10.752  11.443  13.177
   29   2HO*    G 909          2HO*        G 909  11.672  13.100  11.081
   30    H1*    G 909           H1*        G 909  11.045  14.197  12.857
   31    H8     G 909           H8         G 909   7.653  13.834  14.320
   32    H1     G 909           H1         G 909  12.245  12.697  18.637
   33   1H2     G 909          1H2         G 909  14.368  12.547  15.880
   34   2H2     G 909          2H2         G 909  14.197  12.433  17.616
   35   1H5*    G 910          1H5*        G 910  10.869   7.210  11.906
   36   2H5*    G 910          2H5*        G 910  10.170   8.454  12.960
   37    H4*    G 910           H4*        G 910  13.150   8.138  12.510
   38    H3*    G 910           H3*        G 910  11.348   6.931  14.667
   39    H2*    G 910           H2*        G 910  13.174   7.174  16.180
   40   2HO*    G 910          2HO*        G 910  14.795   7.889  13.948
   41    H1*    G 910           H1*        G 910  13.880   9.687  15.336
   42    H8     G 910           H8         G 910  10.200   9.945  15.210
   43    H1     G 910           H1         G 910  12.276   9.515  21.258
   44   1H2     G 910          1H2         G 910  15.314   8.585  19.823
   45   2H2     G 910          2H2         G 910  14.407   8.892  21.287
   46   1H5*    A 911          1H5*        A 911  14.537   5.038  15.447
   47   2H5*    A 911          2H5*        A 911  14.352   3.277  15.533
   48    H4*    A 911           H4*        A 911  15.320   4.072  17.597
   49    H3*    A 911           H3*        A 911  12.428   3.213  17.858
   50    H2*    A 911           H2*        A 911  12.624   3.599  20.182
   51   2HO*    A 911          2HO*        A 911  15.215   2.945  19.705
   52    H1*    A 911           H1*        A 911  14.200   5.883  20.001
   53    H8     A 911           H8         A 911  11.412   6.028  17.435
   54   1H6     A 911          1H6         A 911   7.763   8.141  21.946
   55   2H6     A 911          2H6         A 911   7.903   7.846  20.227
   56    H2     A 911           H2         A 911  11.630   6.811  23.812
   57   1H5*    G 912          1H5*        G 912  14.350   1.526  20.822
   58   2H5*    G 912          2H5*        G 912  14.259  -0.247  20.844
   59    H4*    G 912           H4*        G 912  13.742   0.595  23.048
   60    H3*    G 912           H3*        G 912  11.586  -0.778  21.533
   61    H2*    G 912           H2*        G 912   9.819   0.321  22.483
   62   2HO*    G 912          2HO*        G 912  10.143   0.675  24.955
   63    H1*    G 912           H1*        G 912  11.310   2.182  24.181
   64    H8     G 912           H8         G 912  10.599   2.647  20.411
   65    H1     G 912           H1         G 912   6.672   5.828  24.346
   66   1H2     G 912          1H2         G 912   8.327   4.083  26.878
   67   2H2     G 912          2H2         G 912   7.083   5.236  26.457
   68   1H5*    U 913          1H5*        U 913  12.550  -1.037  26.007
   69   2H5*    U 913          2H5*        U 913  12.359  -2.690  26.619
   70    H4*    U 913           H4*        U 913  11.840  -1.127  28.388
   71    H3*    U 913           H3*        U 913   9.603  -2.832  27.324
   72    H2*    U 913           H2*        U 913   7.892  -1.536  28.167
   73   2HO*    U 913          2HO*        U 913   8.237  -0.222  30.075
   74    H1*    U 913           H1*        U 913   9.103   0.968  28.408
   75    H3     U 913           H3         U 913   6.490   2.650  25.221
   76    H5     U 913           H5         U 913   7.509  -1.126  23.648
   77    H6     U 913           H6         U 913   8.810  -1.537  25.656
   78   1H5*    G 914          1H5*        G 914   6.480  -4.268  30.336
   79   2H5*    G 914          2H5*        G 914   6.811  -3.276  28.898
   80    H4*    G 914           H4*        G 914   5.963  -2.163  31.593
   81    H3*    G 914           H3*        G 914   4.226  -2.780  29.148
   82    H2*    G 914           H2*        G 914   2.971  -0.864  29.730
   83   2HO*    G 914          2HO*        G 914   4.092  -0.190  32.113
   84    H1*    G 914           H1*        G 914   5.122   0.648  30.697
   85    H8     G 914           H8         G 914   6.080  -0.745  27.336
   86    H1     G 914           H1         G 914   2.112   4.271  26.967
   87   1H2     G 914          1H2         G 914   1.734   3.814  30.405
   88   2H2     G 914          2H2         G 914   1.298   4.737  28.985
   89   1H5*    G 915          1H5*        G 915   1.690  -2.061  32.293
   90   2H5*    G 915          2H5*        G 915   0.386  -3.260  32.409
   91    H4*    G 915           H4*        G 915  -0.574  -1.049  32.464
   92    H3*    G 915           H3*        G 915  -1.013  -2.313  29.729
   93    H2*    G 915           H2*        G 915  -2.461  -0.469  29.325
   94   2HO*    G 915          2HO*        G 915  -2.255   0.118  32.113
   95    H1*    G 915           H1*        G 915  -0.801   1.377  30.619
   96    H8     G 915           H8         G 915   1.275  -0.870  28.387
   97    H1     G 915           H1         G 915  -1.847   3.700  25.157
   98   1H2     G 915          1H2         G 915  -3.485   4.284  28.179
   99   2H2     G 915          2H2         G 915  -3.292   4.724  26.497
  100   1H5*    U 916          1H5*        U 916  -4.611  -1.189  30.865
  101   2H5*    U 916          2H5*        U 916  -5.836  -2.461  30.703
  102    H4*    U 916           H4*        U 916  -6.605  -0.470  29.567
  103    H3*    U 916           H3*        U 916  -5.702  -2.641  27.598
  104    H2*    U 916           H2*        U 916  -6.281  -1.212  25.812
  105   2HO*    U 916          2HO*        U 916  -7.890   0.197  25.902
  106    H1*    U 916           H1*        U 916  -5.645   1.195  27.117
  107    H3     U 916           H3         U 916  -2.903   1.156  23.493
  108    H5     U 916           H5         U 916  -1.235  -1.700  26.106
  109    H6     U 916           H6         U 916  -3.178  -1.431  27.536
  110   1H5*    U 917          1H5*        U 917  -7.532  -5.300  25.137
  111   2H5*    U 917          2H5*        U 917  -6.264  -4.062  25.224
  112    H4*    U 917           H4*        U 917  -8.591  -3.553  23.415
  113    H3*    U 917           H3*        U 917  -7.196  -5.874  23.085
  114    H2*    U 917           H2*        U 917  -5.421  -5.153  21.823
  115   2HO*    U 917          2HO*        U 917  -6.057  -5.410  19.843
  116    H1*    U 917           H1*        U 917  -6.564  -2.505  21.105
  117    H3     U 917           H3         U 917  -2.288  -1.464  20.165
  118    H5     U 917           H5         U 917  -2.106  -2.871  24.136
  119    H6     U 917           H6         U 917  -4.465  -3.416  23.979
  120   1H5*    U 918          1H5*        U 918  -7.615  -3.740  18.978
  121   2H5*    U 918          2H5*        U 918  -9.197  -3.886  19.772
  122    H4*    U 918           H4*        U 918  -9.136  -5.168  17.123
  123    H3*    U 918           H3*        U 918  -7.581  -3.059  16.881
  124    H2*    U 918           H2*        U 918  -8.890  -1.499  18.118
  125   2HO*    U 918          2HO*        U 918 -10.440  -0.617  16.258
  126    H1*    U 918           H1*        U 918 -11.497  -2.299  16.902
  127    H3     U 918           H3         U 918 -14.116  -1.487  20.431
  128    H5     U 918           H5         U 918 -10.227  -0.885  21.951
  129    H6     U 918           H6         U 918  -9.350  -1.693  19.830
  130   1H5*    G 919          1H5*        G 919  -6.776  -0.471  14.274
  131   2H5*    G 919          2H5*        G 919  -8.128  -0.410  15.424
  132    H4*    G 919           H4*        G 919  -7.549   1.281  13.073
  133    H3*    G 919           H3*        G 919  -7.844   1.967  15.640
  134    H2*    G 919           H2*        G 919 -10.015   1.028  15.948
  135   2HO*    G 919          2HO*        G 919  -9.991   3.433  16.168
  136    H1*    G 919           H1*        G 919 -11.131   2.022  13.368
  137    H8     G 919           H8         G 919 -10.216  -1.581  14.472
  138    H1     G 919           H1         G 919 -16.492  -0.319  14.380
  139   1H2     G 919          1H2         G 919 -16.842   1.789  13.808
  140   2H2     G 919          2H2         G 919 -15.536   2.896  13.453
  141   1H5*    U 920          1H5*        U 920  -6.120   1.544  14.948
  142   2H5*    U 920          2H5*        U 920  -4.947   2.722  15.570
  143    H4*    U 920           H4*        U 920  -3.762   0.789  14.706
  144    H3*    U 920           H3*        U 920  -3.736   3.221  12.942
  145    H2*    U 920           H2*        U 920  -2.375   2.167  11.347
  146   2HO*    U 920          2HO*        U 920  -1.651  -0.107  12.612
  147    H1*    U 920           H1*        U 920  -3.374  -0.436  11.867
  148    H3     U 920           H3         U 920  -4.876  -0.512   7.684
  149    H5     U 920           H5         U 920  -5.835   3.404   8.915
  150    H6     U 920           H6         U 920  -4.905   2.876  11.094
  151   1H5*    A 921          1H5*        A 921  -3.883   4.980  13.721
  152   2H5*    A 921          2H5*        A 921  -3.482   6.651  14.171
  153    H4*    A 921           H4*        A 921  -5.451   5.964  15.390
  154    H3*    A 921           H3*        A 921  -2.991   6.059  17.180
  155    H2*    A 921           H2*        A 921  -4.424   5.557  18.993
  156   2HO*    A 921          2HO*        A 921  -6.833   5.428  18.332
  157    H1*    A 921           H1*        A 921  -5.974   3.705  17.643
  158    H8     A 921           H8         A 921  -2.440   3.030  16.596
  159   1H6     A 921          1H6         A 921  -1.641   0.085  21.970
  160   2H6     A 921          2H6         A 921  -0.959   0.403  20.391
  161    H2     A 921           H2         A 921  -5.555   2.279  22.164
  162   1H5*    U 922          1H5*        U 922  -5.712   8.223  19.099
  163   2H5*    U 922          2H5*        U 922  -5.110   9.755  19.757
  164    H4*    U 922           H4*        U 922  -6.076   8.429  21.540
  165    H3*    U 922           H3*        U 922  -3.045   8.612  21.708
  166    H2*    U 922           H2*        U 922  -3.217   7.452  23.777
  167   2HO*    U 922          2HO*        U 922  -5.766   6.974  24.149
  168    H1*    U 922           H1*        U 922  -5.018   5.586  22.916
  169    H3     U 922           H3         U 922  -1.007   3.433  23.196
  170    H5     U 922           H5         U 922  -0.843   5.524  19.540
  171    H6     U 922           H6         U 922  -2.939   6.594  20.133
  172   1H5*    C 923          1H5*        C 923  -4.566   9.528  25.258
  173   2H5*    C 923          2H5*        C 923  -3.844  10.928  26.075
  174    H4*    C 923           H4*        C 923  -3.810   8.966  27.528
  175    H3*    C 923           H3*        C 923  -1.036   9.793  26.569
  176    H2*    C 923           H2*        C 923  -0.209   8.131  28.050
  177   2HO*    C 923          2HO*        C 923  -2.669   7.438  29.147
  178    H1*    C 923           H1*        C 923  -2.181   6.254  27.513
  179   1H4     C 923          1H4         C 923   2.403   5.831  22.736
  180   2H4     C 923          2H4         C 923   2.868   4.651  23.941
  181    H5     C 923           H5         C 923   0.548   7.340  23.015
  182    H6     C 923           H6         C 923  -1.247   8.069  24.518
  183   1H5*    C 924          1H5*        C 924   2.161  11.549  29.311
  184   2H5*    C 924          2H5*        C 924   1.792  10.611  27.850
  185    H4*    C 924           H4*        C 924   2.246   9.258  30.511
  186    H3*    C 924           H3*        C 924   4.343  10.276  28.544
  187    H2*    C 924           H2*        C 924   5.578   8.281  28.867
  188   2HO*    C 924          2HO*        C 924   3.846   7.355  30.889
  189    H1*    C 924           H1*        C 924   3.459   6.552  28.832
  190   1H4     C 924          1H4         C 924   4.468   8.294  22.525
  191   2H4     C 924          2H4         C 924   5.607   7.001  22.821
  192    H5     C 924           H5         C 924   3.079   9.250  24.247
  193    H6     C 924           H6         C 924   2.490   9.178  26.627
  194   1H5*    U 925          1H5*        U 925   6.641   9.095  31.545
  195   2H5*    U 925          2H5*        U 925   7.881  10.280  32.006
  196    H4*    U 925           H4*        U 925   8.966   8.213  31.384
  197    H3*    U 925           H3*        U 925   9.239  10.373  29.244
  198    H2*    U 925           H2*        U 925  10.716   8.880  28.117
  199   2HO*    U 925          2HO*        U 925  10.724   6.814  29.910
  200    H1*    U 925           H1*        U 925   9.214   6.615  28.592
  201    H3     U 925           H3         U 925   8.938   7.475  24.122
  202    H5     U 925           H5         U 925   6.185  10.127  25.899
  203    H6     U 925           H6         U 925   7.023   9.438  28.072
  204   1H5*    U 926          1H5*        U 926  13.001   9.210  29.754
  205   2H5*    U 926          2H5*        U 926  14.151  10.545  29.957
  206    H4*    U 926           H4*        U 926  14.908   9.156  28.140
  207    H3*    U 926           H3*        U 926  13.808  11.817  27.040
  208    H2*    U 926           H2*        U 926  14.386  11.011  24.894
  209   2HO*    U 926          2HO*        U 926  16.068   9.266  26.343
  210    H1*    U 926           H1*        U 926  13.621   8.392  25.251
  211    H3     U 926           H3         U 926  10.583  10.096  22.322
  212    H5     U 926           H5         U 926   9.356  11.544  26.084
  213    H6     U 926           H6         U 926  11.397  10.632  27.028
  214   1H5*    C 927          1H5*        C 927  17.604  11.251  25.341
  215   2H5*    C 927          2H5*        C 927  18.556  12.747  25.378
  216    H4*    C 927           H4*        C 927  18.489  11.921  23.106
  217    H3*    C 927           H3*        C 927  16.616  14.308  23.398
  218    H2*    C 927           H2*        C 927  16.374  14.194  21.031
  219   2HO*    C 927          2HO*        C 927  17.805  13.226  19.723
  220    H1*    C 927           H1*        C 927  16.251  11.418  20.959
  221   1H4     C 927          1H4         C 927  10.247  13.753  22.563
  222   2H4     C 927          2H4         C 927  10.234  13.571  20.823
  223    H5     C 927           H5         C 927  12.201  13.355  23.917
  224    H6     C 927           H6         C 927  14.571  12.721  23.894
  225   1H5*    C 928          1H5*        C 928  19.201  15.045  20.306
  226   2H5*    C 928          2H5*        C 928  19.809  16.709  20.273
  227    H4*    C 928           H4*        C 928  18.936  16.164  18.096
  228    H3*    C 928           H3*        C 928  16.992  18.075  19.504
  229    H2*    C 928           H2*        C 928  15.888  18.112  17.380
  230   2HO*    C 928          2HO*        C 928  16.987  16.736  15.657
  231    H1*    C 928           H1*        C 928  16.042  15.408  16.953
  232   1H4     C 928          1H4         C 928  11.217  16.512  21.374
  233   2H4     C 928          2H4         C 928  10.432  16.521  19.811
  234    H5     C 928           H5         C 928  13.596  16.277  21.656
  235    H6     C 928           H6         C 928  15.747  16.056  20.501
  236   1H5*    C 929          1H5*        C 929  17.774  19.656  15.937
  237   2H5*    C 929          2H5*        C 929  18.147  21.389  15.965
  238    H4*    C 929           H4*        C 929  16.376  20.955  14.359
  239    H3*    C 929           H3*        C 929  15.359  22.328  16.870
  240    H2*    C 929           H2*        C 929  13.244  22.454  15.851
  241   2HO*    C 929          2HO*        C 929  12.930  22.294  13.656
  242    H1*    C 929           H1*        C 929  13.419  19.983  14.534
  243   1H4     C 929          1H4         C 929  11.017  18.975  20.639
  244   2H4     C 929          2H4         C 929   9.625  19.032  19.580
  245    H5     C 929           H5         C 929  13.272  19.367  19.878
  246    H6     C 929           H6         C 929  14.673  19.943  17.949
  247    H3T    C 929           H3T        C 929  15.323  24.071  15.219