*HEADER    RNA                                     02-MAY-06   2GV4              
*TITLE     SOLUTION STRUCTURE OF THE POLIOVIRUS 3'-UTR Y-STEM                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SHORT RNA STRAND  5'-GGACCUCUCGAAAGAGUGGUCC-3';            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: POLIOVIRUS 3'-UTR Y-STEM;                                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS A MUTANT OF POLIOVIRUS 3'-           
*SOURCE   4 UTR Y-STEM                                                           
*KEYWDS    RNA, POLIOVIRUS, STEM-LOOP, PSEUDO-2-FOLD SYMMETRY                    
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    H.A.HEUS, J.ZOLL, M.TESSARI, F.J.M.VAN KUPPEVELD,                     
*AUTHOR   2 W.J.G.MELCHERS                                                       
*REVDAT   1   20-MAR-07 2GV4    0                                                


!Yuu restraints
!==============

!interresidue aromatic (H6/H8) to anomeric restraints
!----------------------------------------------------
assign (resid  1 and name H1') (resid  1 and name H8) 3.74 1.0 1.0
assign (resid  2 and name H1') (resid  2 and name H8) 3.82 1.0 1.0
assign (resid  3 and name H1') (resid  3 and name H8) 3.8 1.0 1.0 
assign (resid  4 and name H1') (resid  4 and name H6) 3.4 1.0 1.0 
assign (resid  5 and name H1') (resid  5 and name H6) 3.52 1.0 1.0
assign (resid  7 and name H1') (resid  7 and name H6) 3.8 1.0 1.0 
assign (resid  8 and name H1') (resid  8 and name H6) 3.85 0.8 0.8
assign (resid 15 and name H8) (resid 15 and name H1') 3.7 0.7 0.7 
assign (resid 16 and name H1') (resid 16 and name H8) 3.8 1.0 1.0 
assign (resid 17 and name H1') (resid 17 and name H6) 3.5 1.0 1.0 
assign (resid 18 and name H1') (resid 18 and name H8) 3.6 1.0 1.0 
assign (resid 19 and name H1') (resid 19 and name H8) 3.6 1.0 1.0 
assign (resid 20 and name H1') (resid 20 and name H6) 3.68 1.0 1.0
assign (resid 21 and name H1') (resid 21 and name H6) 3.30 1.0 1.0
assign (resid 22 and name H6) (resid 22 and name H1') 3.56 1.0 1.0

!intraresidue aromatic H2 to anomeric restraints
!-----------------------------------------------
assign (resid  3 and name H1') (resid  3 and name H2) 4.1 1.0 1.0 

!intraresidue aromatic to H2' restraints
!---------------------------------------
assign (resid  7 and name   H6) (resid  7 and name H2' ) 3.1 0.6 0.6 
assign (resid  8 and name   H6) (resid  8 and name H2' ) 3.3 0.7 0.7 

!intraresidue aromatic to H3' restraints
!---------------------------------------
assign (resid  7 and name   H6) (resid  7 and name H3' ) 2.9 0.6 0.6 
assign (resid  8 and name   H6) (resid  8 and name H3' ) 2.4 0.5 0.5 
assign (resid 16 and name   H8) (resid 16 and name H3' ) 2.8 0.6 0.6 

!intraresidue aromatic to H5'/H5" restraints
!-------------------------------------------
assign (resid  7 and name H6) (resid  7 and (name H5'1 or name H5'2)) 3.8 0.8 0.8  
assign (resid  8 and (name H5'1 or name H5'2)) (resid  8 and name H6 ) 3.25 0.7 0.7

!intraresidue H1' to H2' restraints
!----------------------------------
assign (resid  7 and name  H1') (resid  7 and name H2' ) 2.1 0.4 0.4  
assign (resid  8 and name  H1') (resid  8 and name H2' ) 2.2 0.4 0.4  
assign (resid 16 and name  H1') (resid 16 and name H2' ) 2.3 0.5 0.5  

!intraresidue H1' to H4' restraints
!----------------------------------
assign (resid  7 and name  H4') (resid  7 and name H1' ) 3.05 0.6 0.6 
assign (resid  8 and name  H1') (resid  8 and name H4' ) 3.0 0.6 0.6  

!intraresidue H3' to H5'/H5" restraints
!--------------------------------------
assign (resid  8 and name H3') (resid  8 and (name H5'1 or name H5'2)) 2.9 0.6 0.6 

!intraresidue H4' to H5'/H5" restraints
!--------------------------------------
assign (resid  7 and name H4') (resid  7 and (name H5'1 or name H5'2)) 2.5 0.5 0.5 
assign (resid  8 and (name H5'1 or name H5'2)) (resid  8 and name H4' ) 2.6 0.5 0.5

!intraresidue H4' to H3' restraints
!----------------------------------
assign (resid  6 and name  H4') (resid  6 and name H3' ) 2.5 0.5 0.5  
assign (resid  7 and name  H4') (resid  7 and name H3' ) 2.55 0.6 0.6 
assign (resid  8 and name  H3') (resid  8 and name H4' ) 2.5 0.5 0.5  

!intraresidue H1' to H3' restraints
!----------------------------------
assign (resid  8 and name  H3') (resid  8 and name H1' ) 3.6 0.7 0.7 

!intraresidue H2' to H3' restraints
!----------------------------------
assign (resid  8 and name  H3') (resid  8 and name H2' ) 2.9 0.6 0.6 

! NOE restraints in GAAAloop
!---------------------------
assign (resid 9 and name H5'1 or resid 9 and name H5'2) (resid 9 and name H6) 3.4  0.7  0.7
assign (resid 9 and name H2') (resid 9 and name H1') 2.5  0.5  0.5
assign (resid 9 and name H3') (resid 9 and name H1') 3.4  0.7  0.7 
assign (resid 9 and name H4') (resid 9 and name H1') 3.3  0.7  0.7 
assign (resid 9 and name H1') (resid 9 and name H6) 3.6  0.7  0.7  
assign (resid 9 and name H2') (resid 9 and name H6) 2.8  0.6  0.6
assign (resid 9 and name H3') (resid 9 and name H6) 2.6  0.5  0.5
assign (resid 10 and name H1') (resid 10 and name H8) 4.2  0.8  0.8 
assign (resid 10 and name H2') (resid 10 and name H8) 3.5  1.0  1.0 
assign (resid 10 and name H3') (resid 10 and name H8) 3.0  0.6  0.6
assign (resid 11 and name H5'1 or resid 11 and name H5'2) (resid 11 and name H8) 3.8  0.8  0.8 
assign (resid 11 and name H4') (resid 11 and name H8) 3.4  0.7  0.7
assign (resid 11 and name H1') (resid 11 and name H2) 4.5  0.9  0.9 
assign (resid 11 and name H1') (resid 11 and name H8) 3.3  0.7  0.7
assign (resid 11 and name H2') (resid 11 and name H8) 3.6  0.7  0.7
assign (resid 11 and name H3') (resid 11 and name H8) 3.2  0.6  0.6
assign (resid 12 and name H5'1 or resid 12 and name H5'2) (resid 12 and name H8) 4.0  0.8  0.8
assign (resid 12 and name H5'1 or resid 12 and name H5'2) (resid 12 and name H8) 3.4  0.7  0.7
assign (resid 12 and name H1') (resid 12 and name H2) 4.7  0.9  0.9 
assign (resid 12 and name H1') (resid 12 and name H8) 3.5  0.7  0.7
assign (resid 12 and name H2') (resid 12 and name H8) 3.6  0.7  0.7
assign (resid 12 and name H3') (resid 12 and name H8) 2.9  0.6  0.6
assign (resid 12 and name H4') (resid 12 and name H8) 4.1  0.8  0.8 
assign (resid 13 and name H5'1 or resid 13 and name H5'2) (resid 13 and name H1') 4.2  0.8  0.8 
assign (resid 13 and name H5'1 or resid 13 and name H5'2) (resid 13 and name H1') 4.1  0.8  0.8 
assign (resid 13 and name H5'1 or resid 13 and name H5'2) (resid 13 and name H8) 4.6  0.9  0.9
assign (resid 13 and name H1') (resid 13 and name H8) 3.2  0.6  0.6
assign (resid 13 and name H2') (resid 13 and name H8) 4.3  0.9  0.9 
assign (resid 13 and name H3') (resid 13 and name H8) 2.8  0.6  0.6
assign (resid 13 and name H4') (resid 13 and name H8) 4.3  0.9  0.9 
assign (resid 14 and name H5'1) (resid 14 and name H8) 3.5  1.0  1.0
assign (resid 14 and name H4') (resid 14 and name H8) 3.5  1.0  1.0
assign (resid 14 and name H1') (resid 14 and name H8) 3.9  0.8  0.8
assign (resid 14 and name H2') (resid 14 and name H8) 3.0  0.6  0.6
assign (resid 14 and name H3') (resid 14 and name H8) 2.9  0.6  0.6

!interresidue aromatic (H6/H8) to anomeric restraints
!----------------------------------------------------
assign (resid  1 and name H1') (resid  2 and name H8) 3.35 1.0 1.0
assign (resid  2 and name H1') (resid  3 and name H8) 4.03 1.0 1.0
assign (resid  3 and name H1') (resid  4 and name H6) 3.9 1.0 1.0 
assign (resid  4 and name H1') (resid  5 and name H6) 3.4 1.0 1.0 
assign (resid  5 and name H1') (resid  6 and name H6) 3.8 1.0 1.0 
assign (resid  6 and name H1') (resid  7 and name H6) 3.8 1.0 1.0 
assign (resid  8 and name   H6) (resid  7 and name H1')  3.7 0.7 0.7 
assign (resid  8 and name  H1') (resid  9 and name H6)  3.75 0.9 0.9 
assign (resid 15 and name   H8) (resid 14 and name H1')  3.3 0.7 0.7 
assign (resid 16 and name H1') (resid 17 and name H6) 4.0 1.0 1.0 
assign (resid 17 and name H1') (resid 18 and name H8) 4.0 1.0 1.0 
assign (resid 18 and name H1') (resid 19 and name H8) 3.6 1.0 1.0 
assign (resid 19 and name H1') (resid 20 and name H6) 3.6 1.0 1.0 
assign (resid 21 and name H1') (resid 22 and name H6) 3.8 1.0 1.0 

!interresidue H2 to anomeric restraints
!--------------------------------------
assign (resid  3 and name   H2) (resid 21 and name H1')  3.71 1.0 1.0 
assign (resid  3 and name   H2) (resid  4 and name H1')  3.4 1.0 1.0  
assign (resid 15 and name   H2) (resid  9 and name H1')  3.8 0.8 0.8  
assign (resid 15 and name   H2) (resid 16 and name H1')  3.0 0.6 0.6  

!interresidue aromatic (H6/H8) to H2' restraints
!-----------------------------------------------
assign (resid  2 and name   H8) (resid  1 and name H2')  2.88 1.0 1.0 
assign (resid  3 and name   H8) (resid  2 and name H2')  2.54 1.0 1.0 
assign (resid  3 and name H2') (resid  4 and name H6) 2.61 1.0 1.0 
assign (resid  4 and name H2') (resid  5 and name H6) 2.47 1.0 1.0 
assign (resid  5 and name H2') (resid  6 and name H6) 2.51 1.0 1.0 
assign (resid  6 and name H2') (resid  7 and name H6) 2.52 1.0 1.0 
assign (resid  7 and name H2') (resid  8 and name H6) 2.30 1.0 1.0 
assign (resid  8 and name  H2') (resid  9 and name H6)  3.05 0.7 0.7 
assign (resid 15 and name   H8) (resid 14 and name H2')  1.6 0.3 0.3 
assign (resid 15 and name H2') (resid 16 and name H8) 2.63 1.0 1.0 
assign (resid 19 and name   H8) (resid 18 and name H2')  2.49 1.0 1.0 
assign (resid 19 and name  H2') (resid 20 and name H6)  2.49 1.0 1.0  
assign (resid 20 and name  H2') (resid 21 and name H6)  2.12 1.0 1.0  
assign (resid 22 and name   H6) (resid 21 and name H2')  2.43 1.0 1.0 

!interresidue H5 to H6 restraints
!--------------------------------
assign (resid  8 and name   H6) (resid  9 and name H5)  5.5 1.2 1.2 
assign (resid  7 and name   H6) (resid  8 and name H6)  5.5 1.2 1.2 

!interresidue H5 to H5 restraints
!--------------------------------
assign (resid 20 and name H5) (resid 21 and name H5) 3.27 1.0 1.0
assign (resid  6 and name H5) (resid  7 and name H5) 3.4 1.0 1.0 
assign (resid  7 and name H5) (resid  8 and name H5) 3.4 1.0 1.0 

!interresidue aromatic (H6/H8) to H3' restraints
!-----------------------------------------------
assign (resid  1 and name H3') (resid  2 and name H8) 3.84 1.0 1.0
assign (resid  3 and name H3') (resid  4 and name H6) 2.73 1.0 1.0
assign (resid 18 and name H3') (resid 19 and name H8) 2.88 1.0 1.0
assign (resid 21 and name H3') (resid 22 and name H6) 3.57 1.0 1.0

! NOE restraints from vsm1 hairpin in GAAAloop
!---------------------------------------------
assign (resid 9 and name H6) (resid 10 and name H8) 4.1  0.8  0.8
assign (resid 9 and name H5) (resid 10 and name H8) 5.5  1.5  1.5
assign (resid 9 and name H2')(resid 10 and name H1') 4.5  1.5  1.5
assign (resid 9 and name H1') (resid 10 and name H8) 4.7  0.9  0.9
assign (resid 9 and name H2')(resid 10 and name H8) 2.4  0.6  0.6
assign (resid 9 and name H3') (resid 10 and name H8) 4.5  1.5  1.5
assign (resid 10 and name H1') (resid 12 and name H8) 5.0  1.5  1.5 
assign (resid 10 and name H2') (resid 12 and name H8) 3.5  1.5  1.5 
assign (resid 11 and name H1') (resid 12 and name H8) 5.0  0.9  0.9
assign (resid 12 and name H1') (resid 11 and name H2) 2.9  0.6  0.6
assign (resid 11 and name H2') (resid 12 and name H8) 2.6  0.6  0.6
assign (resid 11 and name H3') (resid 12 and name H8) 3.0  0.5  0.5
assign (resid 11 and name H2') (resid 12 and name H1') 4.0  0.9  0.9
assign (resid 12 and name H8) (resid 11 and name H8) 4.1  0.8  0.8
assign (resid 13 and name H1') (resid 12 and name H2) 3.3  0.7  0.7
assign (resid 12 and name H2') (resid 13 and name H1') 3.6  0.7  0.7
assign (resid 12 and name H1') (resid 13 and name H8) 5.1  1.0  1.0
assign (resid 12 and name H2') (resid 13 and name H8) 2.6  0.5  0.5
assign (resid 12 and name H3') (resid 13 and name H8) 2.9  0.6  0.6
assign (resid 12 and name H8) (resid 13 and name H8) 5.4  1.1  1.1
assign (resid 12 and name H2') (resid 13 and name H1') 3.9  0.8  0.8
assign (resid 13 and name H1') (resid 12 and name H2) 3.6  0.7  0.7
assign (resid 14 and name H8) (resid 13 and name H8) 4.1  0.8  0.8
assign (resid 13 and name H1') (resid 14 and name H8) 5.5  1.5  1.5
assign (resid 14 and name H1') (resid 13 and name H2') 3.7  0.7  0.7
assign (resid 13 and name H2') (resid 14 and name H8) 4.1  0.8  0.8
assign (resid 13 and name H3') (resid 14 and name H8) 3.0  0.6  0.6
assign (resid 14 and name H1') (resid 13 and name H2) 4.8  1.0  1.0
assign (resid 13 and name H8) (resid 14 and name H1') 5.5  1.5  1.5

! Base pairing in GAAAloop
! ------------------------
! G10-A13
assign (resid 13 and name H61) (resid 10 and name N3) 2.0 0.2 0.5

! Base pairing in stem
!---------------------
! G1-C22
assign (resid  1  and name N1) (resi 22 and name N3) 2.95 0.6 0.6
assign (resid  1  and name O6) (resi 22 and name N4) 2.91 0.6 0.6
assign (resid  1  and name N2) (resi 22 and name O2) 2.86 0.6 0.6
! G2-C21
assign (resid  2  and name N1) (resi 21 and name N3) 2.95 0.6 0.6
assign (resid  2  and name O6) (resi 21 and name N4) 2.91 0.6 0.6
assign (resid  2  and name N2) (resi 21 and name O2) 2.86 0.6 0.6
!A3-U20
assign (resid  3  and name N1) (resi 20 and name N3) 2.82 0.1 0.1
assign (resid  3  and name N6) (resi 20 and name O4) 2.95 0.1 0.1
!C4-G19
assign (resid  4  and name N3) (resi 19 and name N1) 2.95 0.6 0.6
assign (resid  4  and name N4) (resi 19 and name O6) 2.91 0.6 0.6
assign (resid  4  and name O2) (resi 19 and name N2) 2.86 0.6 0.6
!C5-G18
assign (resid  5  and name N3) (resi 18 and name N1) 2.95 0.6 0.6
assign (resid  5  and name N4) (resi 18 and name O6) 2.91 0.6 0.6
assign (resid  5  and name O2) (resi 18 and name N2) 2.86 0.6 0.6
!U6-U17
assign (resid  6  and name N3) (resi 17 and ((name O2) or (name 04))) 3.2 0.6 0.6
assign (resid 17  and name N3) (resi  6 and ((name O2) or (name O4))) 3.2 0.6 0.6
!C7-G16
assign (resid  7  and name N3) (resi 16 and name N1) 2.95 0.6 0.6
assign (resid  7  and name N4) (resi 16 and name O6) 2.91 0.6 0.6
assign (resid  7  and name O2) (resi 16 and name N2) 2.86 0.6 0.6
!U8-A15
assign (resid  8  and name N3) (resi 15 and name N1) 2.82 0.1 0.1
assign (resid  8  and name O4) (resi 15 and name N6) 2.95 0.1 0.1
!C9-G14
assign (resid  9  and name N3) (resi 14 and name N1) 2.95 0.6 0.6
assign (resid  9  and name N4) (resi 14 and name O6) 2.91 0.6 0.6
assign (resid  9  and name O2) (resi 14 and name N2) 2.86 0.6 0.6

!restraints involving exchangeable protons
!-----------------------------------------
assign (resid 20 and name H3) (resid 21 and (name H41 or name H42)) 4.50  1.00  1.00
assign (resid 20 and name H3) (resid 2 and name H1) 5.00  1.00  1.00   
assign (resid 20 and name H3) (resid 3 and name H2) 2.80  1.00  1.00
assign (resid 2 and name H1) (resid 3 and name H2) 4.70  1.00  1.00
assign (resid 19 and name H1) (resid 3 and name H2) 5.00  1.00  1.00
assign (resid 19 and name H1) (resid 20 and name H3) 5.00  1.00  1.00
assign (resid 19 and name H1) (resid 5 and name H1') 4.50  1.00  1.00
assign ((resid 17 or resid 6) and name H3) (resid 17 and name H1') 3.80  1.00  1.00
assign ((resid 17 or resid 6) and name H3) (resid 18 and name H5) 3.80  1.00  1.00
assign (resid 17 and name H3) (resid 16 and name H1) 3.80  1.00  1.00
assign (resid 17 and name H3) (resid 7 and (name H41 or name H42)) 3.80  1.00  1.00
assign (resid 6 and name H3)  (resid 16 and name H1) 3.80  1.00  1.00
assign (resid 16 and (name H21 or name H22)) (resid 8 and name H1') 4.50  1.00  1.00
assign (resid 16 and (name H21 or name H22)) (resid 17 and name H1') 4.00  1.00  1.00
assign (resid 15 and name H2) (resid 8 and name H3) 2.80  1.00  1.00
assign (resid 14 and name H1) (resid 15 and name H2) 4.70  1.00  1.00
assign (resid 8 and name H3)  (resid 9 and (name H41 or name H42)) 4.50  1.00  1.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1-286.148 -30.499 552.810
    2   2H5*    G   1          2H5*        G   1-286.865 -29.918 551.272
    3    H4*    G   1           H4*        G   1-288.057 -31.927 551.908
    4    H3*    G   1           H3*        G   1-289.523 -29.315 552.280
    5    H2*    G   1           H2*        G   1-291.221 -30.234 553.553
    6   2HO*    G   1          2HO*        G   1-290.708 -32.817 552.464
    7    H1*    G   1           H1*        G   1-289.892 -32.611 554.441
    8    H8     G   1           H8         G   1-287.922 -30.030 556.100
    9    H1     G   1           H1         G   1-293.866 -30.028 558.497
   10   1H2     G   1          2H2         G   1-295.222 -31.254 557.179
   11   2H2     G   1          1H2         G   1-294.647 -32.048 555.730
   12    H5T    G   1           H5T        G   1-286.773 -28.150 552.475
   13   1H5*    G   2          1H5*        G   2-292.130 -32.307 548.804
   14   2H5*    G   2          2H5*        G   2-292.625 -30.861 547.862
   15    H4*    G   2           H4*        G   2-294.476 -32.549 548.147
   16    H3*    G   2           H3*        G   2-294.761 -29.723 549.226
   17    H2*    G   2           H2*        G   2-296.872 -30.239 550.210
   18   2HO*    G   2          2HO*        G   2-296.838 -32.757 548.864
   19    H1*    G   2           H1*        G   2-296.241 -32.683 551.225
   20    H8     G   2           H8         G   2-293.019 -31.087 551.828
   21    H1     G   2           H1         G   2-297.502 -28.431 555.530
   22   1H2     G   2          2H2         G   2-299.539 -28.892 554.718
   23   2H2     G   2          1H2         G   2-299.773 -29.880 553.294
   24   1H5*    A   3          1H5*        A   3-298.464 -29.595 546.835
   25   2H5*    A   3          2H5*        A   3-298.272 -28.213 545.704
   26    H4*    A   3           H4*        A   3-300.325 -28.006 547.112
   27    H3*    A   3           H3*        A   3-298.095 -25.959 547.393
   28    H2*    A   3           H2*        A   3-299.255 -24.855 549.161
   29   2HO*    A   3          2HO*        A   3-301.477 -25.436 549.627
   30    H1*    A   3           H1*        A   3-300.164 -27.080 550.471
   31    H8     A   3           H8         A   3-296.682 -27.957 549.315
   32   1H6     A   3          2H6         A   3-294.579 -24.872 554.226
   33   2H6     A   3          1H6         A   3-294.174 -25.986 552.938
   34    H2     A   3           H2         A   3-298.953 -23.923 553.791
   35   1H5*    C   4          1H5*        C   4-301.158 -23.457 547.619
   36   2H5*    C   4          2H5*        C   4-300.961 -22.017 546.565
   37    H4*    C   4           H4*        C   4-301.085 -21.437 549.007
   38    H3*    C   4           H3*        C   4-298.521 -20.865 547.458
   39    H2*    C   4           H2*        C   4-297.500 -20.041 549.401
   40   2HO*    C   4          2HO*        C   4-300.082 -19.798 550.590
   41    H1*    C   4           H1*        C   4-298.864 -21.663 551.264
   42   1H4     C   4          2H4         C   4-292.727 -23.488 551.197
   43   2H4     C   4          1H4         C   4-292.991 -24.416 549.736
   44    H5     C   4           H5         C   4-295.091 -24.418 548.532
   45    H6     C   4           H6         C   4-297.364 -23.490 548.443
   46   1H5*    C   5          1H5*        C   5-299.954 -16.878 550.016
   47   2H5*    C   5          2H5*        C   5-299.802 -15.737 548.643
   48    H4*    C   5           H4*        C   5-298.817 -14.717 550.630
   49    H3*    C   5           H3*        C   5-296.833 -15.643 548.509
   50    H2*    C   5           H2*        C   5-295.031 -14.959 549.855
   51   2HO*    C   5          2HO*        C   5-295.196 -13.399 551.423
   52    H1*    C   5           H1*        C   5-296.137 -15.530 552.340
   53   1H4     C   5          2H4         C   5-291.684 -19.932 550.924
   54   2H4     C   5          1H4         C   5-292.739 -20.670 549.740
   55    H5     C   5           H5         C   5-294.924 -19.805 549.195
   56    H6     C   5           H6         C   5-296.597 -18.080 549.719
   57   1H5*    U   6          1H5*        U   6-295.975 -11.354 550.113
   58   2H5*    U   6          2H5*        U   6-295.471 -10.418 548.670
   59    H4*    U   6           H4*        U   6-293.947 -10.125 550.659
   60    H3*    U   6           H3*        U   6-292.848 -11.309 548.077
   61    H2*    U   6           H2*        U   6-290.700 -11.506 549.090
   62   2HO*    U   6          2HO*        U   6-291.675  -9.747 551.118
   63    H1*    U   6           H1*        U   6-291.561 -12.132 551.648
   64    H3     U   6           H3         U   6-289.340 -15.926 550.444
   65    H5     U   6           H5         U   6-292.724 -15.944 547.938
   66    H6     U   6           H6         U   6-293.274 -13.718 548.762
   67   1H5*    C   7          1H5*        C   7-289.668  -8.887 549.121
   68   2H5*    C   7          2H5*        C   7-289.112  -8.031 547.645
   69    H4*    C   7           H4*        C   7-287.361  -9.539 548.632
   70    H3*    C   7           H3*        C   7-288.451 -10.119 545.842
   71    H2*    C   7           H2*        C   7-287.078 -12.022 545.695
   72   2HO*    C   7          2HO*        C   7-285.560 -11.161 547.933
   73    H1*    C   7           H1*        C   7-287.080 -12.730 548.363
   74   1H4     C   7          2H4         C   7-290.510 -17.074 545.159
   75   2H4     C   7          1H4         C   7-291.828 -15.945 544.937
   76    H5     C   7           H5         C   7-291.664 -13.582 545.554
   77    H6     C   7           H6         C   7-290.374 -11.959 546.860
   78   1H5*    U   8          1H5*        U   8-283.656 -10.195 545.988
   79   2H5*    U   8          2H5*        U   8-283.326  -9.056 544.644
   80    H4*    U   8           H4*        U   8-281.756 -10.852 544.414
   81    H3*    U   8           H3*        U   8-284.085 -11.093 542.463
   82    H2*    U   8           H2*        U   8-283.102 -13.086 541.595
   83   2HO*    U   8          2HO*        U   8-280.953 -13.606 541.900
   84    H1*    U   8           H1*        U   8-282.140 -14.080 543.937
   85    H3     U   8           H3         U   8-285.295 -17.134 542.706
   86    H5     U   8           H5         U   8-287.560 -13.793 543.902
   87    H6     U   8           H6         U   8-285.480 -12.542 544.150
   88   1H5*    C   9          1H5*        C   9-280.517 -12.114 540.381
   89   2H5*    C   9          2H5*        C   9-280.508 -11.342 538.760
   90    H4*    C   9           H4*        C   9-280.200 -13.850 538.711
   91    H3*    C   9           H3*        C   9-282.561 -12.537 537.320
   92    H2*    C   9           H2*        C   9-283.432 -14.644 536.689
   93   2HO*    C   9          2HO*        C   9-280.782 -15.631 537.089
   94    H1*    C   9           H1*        C   9-282.392 -16.146 538.856
   95   1H4     C   9          2H4         C   9-288.746 -16.036 539.656
   96   2H4     C   9          1H4         C   9-288.699 -14.347 540.110
   97    H5     C   9           H5         C   9-286.679 -13.023 540.069
   98    H6     C   9           H6         C   9-284.263 -13.044 539.613
   99   1H5*    G  10          1H5*        G  10-283.301 -13.320 532.874
  100   2H5*    G  10          2H5*        G  10-283.918 -13.107 534.544
  101    H4*    G  10           H4*        G  10-283.547 -15.865 533.337
  102    H3*    G  10           H3*        G  10-285.839 -13.927 532.878
  103    H2*    G  10           H2*        G  10-287.454 -15.606 533.301
  104   2HO*    G  10          2HO*        G  10-285.309 -17.444 532.858
  105    H1*    G  10           H1*        G  10-286.088 -16.990 535.284
  106    H8     G  10           H8         G  10-285.716 -13.370 536.215
  107    H1     G  10           H1         G  10-291.626 -15.519 537.405
  108   1H2     G  10          2H2         G  10-291.903 -17.551 536.488
  109   2H2     G  10          1H2         G  10-290.640 -18.349 535.579
  110   1H5*    A  11          1H5*        A  11-287.644 -17.159 528.199
  111   2H5*    A  11          2H5*        A  11-286.732 -15.719 527.654
  112    H4*    A  11           H4*        A  11-288.448 -14.242 528.603
  113    H3*    A  11           H3*        A  11-289.587 -16.797 529.717
  114    H2*    A  11           H2*        A  11-291.804 -16.152 529.231
  115   2HO*    A  11          2HO*        A  11-290.860 -13.507 528.694
  116    H1*    A  11           H1*        A  11-291.306 -14.915 526.786
  117    H8     A  11           H8         A  11-289.238 -17.640 526.023
  118   1H6     A  11          2H6         A  11-293.976 -21.603 526.029
  119   2H6     A  11          1H6         A  11-292.298 -21.370 525.595
  120    H2     A  11           H2         A  11-295.354 -17.796 527.982
  121   1H5*    A  12          1H5*        A  12-293.183 -15.534 531.391
  122   2H5*    A  12          2H5*        A  12-292.901 -16.119 533.057
  123    H4*    A  12           H4*        A  12-294.662 -17.325 531.471
  124    H3*    A  12           H3*        A  12-292.709 -18.652 533.385
  125    H2*    A  12           H2*        A  12-293.235 -20.786 532.566
  126   2HO*    A  12          2HO*        A  12-295.644 -19.674 531.498
  127    H1*    A  12           H1*        A  12-293.904 -20.094 529.925
  128    H8     A  12           H8         A  12-290.499 -18.717 530.721
  129   1H6     A  12          2H6         A  12-288.243 -24.365 529.595
  130   2H6     A  12          1H6         A  12-287.841 -22.689 529.894
  131    H2     A  12           H2         A  12-292.719 -24.676 529.733
  132   1H5*    A  13          1H5*        A  13-295.719 -21.590 533.684
  133   2H5*    A  13          2H5*        A  13-295.752 -22.051 535.420
  134    H4*    A  13           H4*        A  13-294.844 -23.834 533.795
  135    H3*    A  13           H3*        A  13-293.344 -22.839 536.233
  136    H2*    A  13           H2*        A  13-291.367 -23.978 535.643
  137   2HO*    A  13          2HO*        A  13-292.912 -25.510 533.786
  138    H1*    A  13           H1*        A  13-291.515 -23.731 532.897
  139    H8     A  13           H8         A  13-292.329 -20.742 535.245
  140   1H6     A  13          2H6         A  13-286.603 -18.818 534.097
  141   2H6     A  13          1H6         A  13-288.118 -18.455 534.892
  142    H2     A  13           H2         A  13-287.158 -22.722 531.976
  143   1H5*    G  14          1H5*        G  14-292.163 -26.429 536.686
  144   2H5*    G  14          2H5*        G  14-292.206 -26.993 538.391
  145    H4*    G  14           H4*        G  14-289.869 -26.548 537.413
  146    H3*    G  14           H3*        G  14-290.911 -25.264 539.951
  147    H2*    G  14           H2*        G  14-289.051 -23.868 540.153
  148   2HO*    G  14          2HO*        G  14-287.616 -25.493 538.301
  149    H1*    G  14           H1*        G  14-288.419 -23.591 537.440
  150    H8     G  14           H8         G  14-292.035 -22.811 538.618
  151    H1     G  14           H1         G  14-287.970 -17.865 538.993
  152   1H2     G  14          1H2         G  14-285.890 -18.549 538.475
  153   2H2     G  14          2H2         G  14-285.533 -20.207 538.044
  154   1H5*    A  15          1H5*        A  15-286.640 -27.235 539.863
  155   2H5*    A  15          2H5*        A  15-286.400 -28.047 541.444
  156    H4*    A  15           H4*        A  15-284.306 -27.002 540.795
  157    H3*    A  15           H3*        A  15-285.795 -25.522 543.015
  158    H2*    A  15           H2*        A  15-283.954 -23.980 543.146
  159   2HO*    A  15          2HO*        A  15-282.522 -25.625 541.301
  160    H1*    A  15           H1*        A  15-283.637 -23.665 540.443
  161    H8     A  15           H8         A  15-287.315 -24.104 541.411
  162   1H6     A  15          2H6         A  15-287.441 -18.101 542.728
  163   2H6     A  15          1H6         A  15-288.385 -19.560 542.523
  164    H2     A  15           H2         A  15-283.177 -19.196 541.808
  165   1H5*    G  16          1H5*        G  16-282.105 -25.417 544.533
  166   2H5*    G  16          2H5*        G  16-282.106 -25.806 546.283
  167    H4*    G  16           H4*        G  16-281.252 -23.494 545.744
  168    H3*    G  16           H3*        G  16-283.790 -23.763 547.440
  169    H2*    G  16           H2*        G  16-283.748 -21.395 547.718
  170   2HO*    G  16          2HO*        G  16-281.804 -20.669 548.155
  171    H1*    G  16           H1*        G  16-282.824 -20.813 545.143
  172    H8     G  16           H8         G  16-285.712 -23.170 544.669
  173    H1     G  16           H1         G  16-287.595 -17.257 546.237
  174   1H2     G  16          1H2         G  16-285.832 -16.073 547.001
  175   2H2     G  16          2H2         G  16-284.228 -16.761 547.111
  176   1H5*    U  17          1H5*        U  17-281.404 -21.284 550.211
  177   2H5*    U  17          2H5*        U  17-281.686 -22.039 551.816
  178    H4*    U  17           H4*        U  17-282.364 -19.606 551.685
  179    H3*    U  17           H3*        U  17-284.425 -21.757 552.317
  180    H2*    U  17           H2*        U  17-286.148 -20.144 552.388
  181   2HO*    U  17          2HO*        U  17-285.766 -17.986 552.843
  182    H1*    U  17           H1*        U  17-285.041 -18.345 550.496
  183    H3     U  17           H3         U  17-289.139 -19.274 548.741
  184    H5     U  17           H5         U  17-287.020 -22.878 548.264
  185    H6     U  17           H6         U  17-285.199 -21.925 549.567
  186   1H5*    G  18          1H5*        G  18-283.231 -19.310 556.957
  187   2H5*    G  18          2H5*        G  18-284.136 -20.543 557.896
  188    H4*    G  18           H4*        G  18-284.577 -18.112 558.558
  189    H3*    G  18           H3*        G  18-286.832 -19.982 557.710
  190    H2*    G  18           H2*        G  18-288.418 -18.197 557.999
  191   2HO*    G  18          2HO*        G  18-286.333 -16.584 559.096
  192    H1*    G  18           H1*        G  18-286.967 -16.257 556.771
  193    H8     G  18           H8         G  18-286.144 -19.434 554.939
  194    H1     G  18           H1         G  18-291.879 -17.138 553.343
  195   1H2     G  18          1H2         G  18-292.431 -15.428 554.680
  196   2H2     G  18          2H2         G  18-291.388 -14.885 555.974
  197   1H5*    G  19          1H5*        G  19-288.704 -18.101 560.856
  198   2H5*    G  19          2H5*        G  19-289.536 -19.318 561.880
  199    H4*    G  19           H4*        G  19-291.073 -17.590 560.819
  200    H3*    G  19           H3*        G  19-291.414 -20.566 560.270
  201    H2*    G  19           H2*        G  19-293.163 -20.134 558.771
  202   2HO*    G  19          2HO*        G  19-294.555 -18.501 559.006
  203    H1*    G  19           H1*        G  19-292.292 -17.621 557.854
  204    H8     G  19           H8         G  19-289.551 -20.177 557.352
  205    H1     G  19           H1         G  19-294.299 -20.733 553.077
  206   1H2     G  19          1H2         G  19-296.061 -19.498 553.738
  207   2H2     G  19          2H2         G  19-296.032 -18.541 555.201
  208   1H5*    U  20          1H5*        U  20-295.609 -18.467 561.338
  209   2H5*    U  20          2H5*        U  20-296.254 -19.649 562.521
  210    H4*    U  20           H4*        U  20-297.963 -18.918 560.828
  211    H3*    U  20           H3*        U  20-297.125 -21.840 560.976
  212    H2*    U  20           H2*        U  20-298.528 -22.387 559.145
  213   2HO*    U  20          2HO*        U  20-300.100 -20.726 558.406
  214    H1*    U  20           H1*        U  20-298.187 -20.039 557.678
  215    H3     U  20           H3         U  20-296.400 -23.425 555.138
  216    H5     U  20           H5         U  20-293.515 -22.731 558.119
  217    H6     U  20           H6         U  20-295.107 -21.259 559.234
  218   1H5*    C  21          1H5*        C  21-301.236 -22.241 560.208
  219   2H5*    C  21          2H5*        C  21-301.936 -23.195 561.557
  220    H4*    C  21           H4*        C  21-302.527 -24.195 559.370
  221    H3*    C  21           H3*        C  21-300.659 -25.744 561.204
  222    H2*    C  21           H2*        C  21-300.366 -27.430 559.576
  223   2HO*    C  21          2HO*        C  21-301.823 -27.773 557.903
  224    H1*    C  21           H1*        C  21-300.502 -25.873 557.318
  225   1H4     C  21          1H4         C  21-294.252 -27.004 557.996
  226   2H4     C  21          2H4         C  21-294.178 -26.040 559.454
  227    H5     C  21           H5         C  21-296.151 -25.110 560.528
  228    H6     C  21           H6         C  21-298.548 -24.682 560.271
  229   1H5*    C  22          1H5*        C  22-303.127 -28.714 559.302
  230   2H5*    C  22          2H5*        C  22-303.771 -29.786 560.588
  231    H4*    C  22           H4*        C  22-302.647 -31.108 558.833
  232    H3*    C  22           H3*        C  22-301.353 -31.001 561.578
  233    H2*    C  22           H2*        C  22-299.484 -32.198 560.847
  234   2HO*    C  22          2HO*        C  22-300.253 -34.033 560.034
  235    H1*    C  22           H1*        C  22-299.617 -31.498 558.085
  236   1H4     C  22          1H4         C  22-294.194 -28.800 560.178
  237   2H4     C  22          2H4         C  22-295.053 -27.886 561.397
  238    H5     C  22           H5         C  22-297.428 -28.072 561.761
  239    H6     C  22           H6         C  22-299.507 -29.132 560.996
  240    H3T    C  22           H3T        C  22-302.254 -33.047 561.640
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1-286.859 -28.528 552.968
    2   2H5*    G   1          2H5*        G   1-285.782 -29.796 552.306
    3    H4*    G   1           H4*        G   1-287.656 -31.229 551.791
    4    H3*    G   1           H3*        G   1-289.299 -28.731 552.195
    5    H2*    G   1           H2*        G   1-290.895 -29.771 553.501
    6   2HO*    G   1          2HO*        G   1-290.244 -32.320 552.409
    7    H1*    G   1           H1*        G   1-289.379 -32.064 554.335
    8    H8     G   1           H8         G   1-287.599 -29.356 556.015
    9    H1     G   1           H1         G   1-293.507 -29.846 558.455
   10   1H2     G   1          2H2         G   1-294.761 -31.191 557.152
   11   2H2     G   1          1H2         G   1-294.132 -31.934 555.698
   12    H5T    G   1           H5T        G   1-286.031 -28.216 550.781
   13   1H5*    G   2          1H5*        G   2-291.778 -31.930 548.830
   14   2H5*    G   2          2H5*        G   2-292.330 -30.533 547.848
   15    H4*    G   2           H4*        G   2-294.121 -32.265 548.159
   16    H3*    G   2           H3*        G   2-294.500 -29.450 549.244
   17    H2*    G   2           H2*        G   2-296.569 -30.046 550.269
   18   2HO*    G   2          2HO*        G   2-297.815 -31.323 549.144
   19    H1*    G   2           H1*        G   2-295.851 -32.480 551.241
   20    H8     G   2           H8         G   2-292.687 -30.712 551.829
   21    H1     G   2           H1         G   2-297.269 -28.397 555.642
   22   1H2     G   2          2H2         G   2-299.287 -29.016 554.878
   23   2H2     G   2          1H2         G   2-299.477 -30.014 553.453
   24   1H5*    A   3          1H5*        A   3-298.304 -29.553 546.862
   25   2H5*    A   3          2H5*        A   3-298.168 -28.160 545.735
   26    H4*    A   3           H4*        A   3-300.259 -28.072 547.102
   27    H3*    A   3           H3*        A   3-298.154 -25.902 547.434
   28    H2*    A   3           H2*        A   3-299.418 -24.865 549.176
   29   2HO*    A   3          2HO*        A   3-301.564 -25.106 549.389
   30    H1*    A   3           H1*        A   3-300.209 -27.138 550.477
   31    H8     A   3           H8         A   3-296.678 -27.808 549.326
   32   1H6     A   3          2H6         A   3-294.737 -24.636 554.229
   33   2H6     A   3          1H6         A   3-294.280 -25.715 552.929
   34    H2     A   3           H2         A   3-299.165 -23.942 553.834
   35   1H5*    C   4          1H5*        C   4-301.253 -23.506 547.507
   36   2H5*    C   4          2H5*        C   4-301.059 -22.066 546.451
   37    H4*    C   4           H4*        C   4-301.224 -21.475 548.884
   38    H3*    C   4           H3*        C   4-298.642 -20.892 547.373
   39    H2*    C   4           H2*        C   4-297.650 -20.061 549.323
   40   2HO*    C   4          2HO*        C   4-300.275 -19.789 550.410
   41    H1*    C   4           H1*        C   4-299.014 -21.687 551.176
   42   1H4     C   4          2H4         C   4-292.855 -23.451 551.088
   43   2H4     C   4          1H4         C   4-293.119 -24.392 549.638
   44    H5     C   4           H5         C   4-295.229 -24.433 548.452
   45    H6     C   4           H6         C   4-297.516 -23.536 548.376
   46   1H5*    C   5          1H5*        C   5-300.008 -16.871 549.909
   47   2H5*    C   5          2H5*        C   5-299.849 -15.752 548.519
   48    H4*    C   5           H4*        C   5-298.813 -14.730 550.473
   49    H3*    C   5           H3*        C   5-296.873 -15.733 548.346
   50    H2*    C   5           H2*        C   5-295.044 -15.076 549.664
   51   2HO*    C   5          2HO*        C   5-295.085 -13.296 550.814
   52    H1*    C   5           H1*        C   5-296.144 -15.568 552.171
   53   1H4     C   5          2H4         C   5-291.802 -20.103 550.808
   54   2H4     C   5          1H4         C   5-292.891 -20.848 549.659
   55    H5     C   5           H5         C   5-295.061 -19.943 549.117
   56    H6     C   5           H6         C   5-296.680 -18.157 549.610
   57   1H5*    U   6          1H5*        U   6-296.015 -11.303 549.860
   58   2H5*    U   6          2H5*        U   6-295.376 -10.474 548.403
   59    H4*    U   6           H4*        U   6-294.004 -10.178 550.540
   60    H3*    U   6           H3*        U   6-292.770 -11.320 548.000
   61    H2*    U   6           H2*        U   6-290.679 -11.539 549.121
   62   2HO*    U   6          2HO*        U   6-291.786  -9.761 551.062
   63    H1*    U   6           H1*        U   6-291.670 -12.242 551.605
   64    H3     U   6           H3         U   6-289.420 -16.008 550.350
   65    H5     U   6           H5         U   6-292.735 -15.938 547.756
   66    H6     U   6           H6         U   6-293.299 -13.733 548.624
   67   1H5*    C   7          1H5*        C   7-289.616  -8.955 549.171
   68   2H5*    C   7          2H5*        C   7-289.036  -8.052 547.733
   69    H4*    C   7           H4*        C   7-287.286  -9.568 548.690
   70    H3*    C   7           H3*        C   7-288.362 -10.110 545.890
   71    H2*    C   7           H2*        C   7-287.008 -12.027 545.719
   72   2HO*    C   7          2HO*        C   7-285.113 -12.290 546.810
   73    H1*    C   7           H1*        C   7-287.009 -12.768 548.378
   74   1H4     C   7          2H4         C   7-290.496 -17.057 545.160
   75   2H4     C   7          1H4         C   7-291.803 -15.913 544.956
   76    H5     C   7           H5         C   7-291.604 -13.555 545.571
   77    H6     C   7           H6         C   7-290.298 -11.953 546.883
   78   1H5*    U   8          1H5*        U   8-283.524 -10.210 545.988
   79   2H5*    U   8          2H5*        U   8-283.225  -9.079 544.631
   80    H4*    U   8           H4*        U   8-281.675 -10.889 544.369
   81    H3*    U   8           H3*        U   8-284.052 -11.115 542.477
   82    H2*    U   8           H2*        U   8-283.114 -13.115 541.594
   83   2HO*    U   8          2HO*        U   8-280.974 -13.616 541.733
   84    H1*    U   8           H1*        U   8-282.071 -14.102 543.910
   85    H3     U   8           H3         U   8-285.235 -17.189 542.762
   86    H5     U   8           H5         U   8-287.498 -13.840 543.948
   87    H6     U   8           H6         U   8-285.419 -12.583 544.169
   88   1H5*    C   9          1H5*        C   9-280.456 -12.118 540.333
   89   2H5*    C   9          2H5*        C   9-280.470 -11.313 538.729
   90    H4*    C   9           H4*        C   9-280.089 -13.812 538.627
   91    H3*    C   9           H3*        C   9-282.479 -12.530 537.261
   92    H2*    C   9           H2*        C   9-283.312 -14.635 536.594
   93   2HO*    C   9          2HO*        C   9-281.591 -15.505 535.562
   94    H1*    C   9           H1*        C   9-282.257 -16.164 538.732
   95   1H4     C   9          2H4         C   9-288.610 -16.079 539.573
   96   2H4     C   9          1H4         C   9-288.556 -14.402 540.063
   97    H5     C   9           H5         C   9-286.541 -13.078 540.034
   98    H6     C   9           H6         C   9-284.131 -13.085 539.552
   99   1H5*    G  10          1H5*        G  10-283.234 -13.149 532.824
  100   2H5*    G  10          2H5*        G  10-283.848 -12.986 534.501
  101    H4*    G  10           H4*        G  10-283.513 -15.698 533.179
  102    H3*    G  10           H3*        G  10-285.792 -13.722 532.840
  103    H2*    G  10           H2*        G  10-287.420 -15.395 533.221
  104   2HO*    G  10          2HO*        G  10-285.313 -17.248 532.666
  105    H1*    G  10           H1*        G  10-286.043 -16.883 535.118
  106    H8     G  10           H8         G  10-285.619 -13.290 536.162
  107    H1     G  10           H1         G  10-291.516 -15.445 537.405
  108   1H2     G  10          2H2         G  10-291.824 -17.444 536.432
  109   2H2     G  10          1H2         G  10-290.583 -18.220 535.474
  110   1H5*    A  11          1H5*        A  11-287.785 -16.792 528.130
  111   2H5*    A  11          2H5*        A  11-286.844 -15.374 527.579
  112    H4*    A  11           H4*        A  11-288.477 -13.856 528.619
  113    H3*    A  11           H3*        A  11-289.674 -16.404 529.691
  114    H2*    A  11           H2*        A  11-291.878 -15.671 529.283
  115   2HO*    A  11          2HO*        A  11-292.258 -13.409 528.727
  116    H1*    A  11           H1*        A  11-291.395 -14.376 526.865
  117    H8     A  11           H8         A  11-289.459 -17.137 525.949
  118   1H6     A  11          2H6         A  11-294.335 -20.948 526.038
  119   2H6     A  11          1H6         A  11-292.670 -20.759 525.536
  120    H2     A  11           H2         A  11-295.499 -17.153 528.149
  121   1H5*    A  12          1H5*        A  12-293.202 -15.120 531.482
  122   2H5*    A  12          2H5*        A  12-292.871 -15.717 533.134
  123    H4*    A  12           H4*        A  12-294.715 -16.887 531.643
  124    H3*    A  12           H3*        A  12-292.653 -18.279 533.394
  125    H2*    A  12           H2*        A  12-293.282 -20.390 532.578
  126   2HO*    A  12          2HO*        A  12-295.723 -19.207 531.673
  127    H1*    A  12           H1*        A  12-294.096 -19.629 530.000
  128    H8     A  12           H8         A  12-290.623 -18.340 530.635
  129   1H6     A  12          2H6         A  12-288.554 -23.995 529.236
  130   2H6     A  12          1H6         A  12-288.100 -22.337 529.561
  131    H2     A  12           H2         A  12-293.025 -24.215 529.589
  132   1H5*    A  13          1H5*        A  13-295.727 -21.164 533.829
  133   2H5*    A  13          2H5*        A  13-295.644 -21.676 535.548
  134    H4*    A  13           H4*        A  13-294.930 -23.427 533.783
  135    H3*    A  13           H3*        A  13-293.254 -22.618 536.172
  136    H2*    A  13           H2*        A  13-291.367 -23.814 535.420
  137   2HO*    A  13          2HO*        A  13-291.713 -25.348 533.565
  138    H1*    A  13           H1*        A  13-291.656 -23.429 532.701
  139    H8     A  13           H8         A  13-292.218 -20.491 535.175
  140   1H6     A  13          2H6         A  13-286.446 -18.829 533.838
  141   2H6     A  13          1H6         A  13-287.909 -18.402 534.696
  142    H2     A  13           H2         A  13-287.285 -22.654 531.668
  143   1H5*    G  14          1H5*        G  14-292.197 -26.234 536.475
  144   2H5*    G  14          2H5*        G  14-292.296 -26.886 538.146
  145    H4*    G  14           H4*        G  14-289.922 -26.559 537.267
  146    H3*    G  14           H3*        G  14-290.947 -25.218 539.783
  147    H2*    G  14           H2*        G  14-289.032 -23.913 540.027
  148   2HO*    G  14          2HO*        G  14-287.691 -25.715 538.262
  149    H1*    G  14           H1*        G  14-288.331 -23.622 537.349
  150    H8     G  14           H8         G  14-291.963 -22.816 538.480
  151    H1     G  14           H1         G  14-287.880 -17.886 538.829
  152   1H2     G  14          1H2         G  14-285.798 -18.587 538.331
  153   2H2     G  14          2H2         G  14-285.450 -20.250 537.917
  154   1H5*    A  15          1H5*        A  15-286.732 -27.381 539.867
  155   2H5*    A  15          2H5*        A  15-286.543 -28.093 541.502
  156    H4*    A  15           H4*        A  15-284.435 -27.052 540.778
  157    H3*    A  15           H3*        A  15-285.922 -25.585 543.013
  158    H2*    A  15           H2*        A  15-284.057 -24.058 543.142
  159   2HO*    A  15          2HO*        A  15-282.088 -24.518 542.306
  160    H1*    A  15           H1*        A  15-283.779 -23.735 540.427
  161    H8     A  15           H8         A  15-287.444 -24.139 541.431
  162   1H6     A  15          2H6         A  15-287.489 -18.150 542.818
  163   2H6     A  15          1H6         A  15-288.448 -19.600 542.622
  164    H2     A  15           H2         A  15-283.248 -19.279 541.830
  165   1H5*    G  16          1H5*        G  16-282.215 -25.507 544.518
  166   2H5*    G  16          2H5*        G  16-282.214 -25.916 546.264
  167    H4*    G  16           H4*        G  16-281.330 -23.611 545.753
  168    H3*    G  16           H3*        G  16-283.873 -23.852 547.445
  169    H2*    G  16           H2*        G  16-283.786 -21.486 547.749
  170   2HO*    G  16          2HO*        G  16-281.950 -20.320 547.566
  171    H1*    G  16           H1*        G  16-282.859 -20.896 545.174
  172    H8     G  16           H8         G  16-285.787 -23.203 544.691
  173    H1     G  16           H1         G  16-287.578 -17.281 546.329
  174   1H2     G  16          1H2         G  16-285.795 -16.114 547.060
  175   2H2     G  16          2H2         G  16-284.194 -16.817 547.144
  176   1H5*    U  17          1H5*        U  17-281.526 -21.445 550.166
  177   2H5*    U  17          2H5*        U  17-281.766 -22.169 551.792
  178    H4*    U  17           H4*        U  17-282.471 -19.762 551.672
  179    H3*    U  17           H3*        U  17-284.553 -21.907 552.257
  180    H2*    U  17           H2*        U  17-286.264 -20.277 552.325
  181   2HO*    U  17          2HO*        U  17-284.294 -18.221 552.531
  182    H1*    U  17           H1*        U  17-285.113 -18.472 550.462
  183    H3     U  17           H3         U  17-289.195 -19.327 548.636
  184    H5     U  17           H5         U  17-287.131 -22.968 548.186
  185    H6     U  17           H6         U  17-285.318 -22.050 549.526
  186   1H5*    G  18          1H5*        G  18-283.353 -19.314 556.740
  187   2H5*    G  18          2H5*        G  18-284.160 -20.518 557.798
  188    H4*    G  18           H4*        G  18-284.648 -18.110 558.413
  189    H3*    G  18           H3*        G  18-286.905 -20.003 557.627
  190    H2*    G  18           H2*        G  18-288.500 -18.231 557.900
  191   2HO*    G  18          2HO*        G  18-286.410 -16.616 558.990
  192    H1*    G  18           H1*        G  18-287.072 -16.288 556.654
  193    H8     G  18           H8         G  18-286.314 -19.536 554.870
  194    H1     G  18           H1         G  18-291.991 -17.110 553.254
  195   1H2     G  18          1H2         G  18-292.487 -15.358 554.549
  196   2H2     G  18          2H2         G  18-291.419 -14.807 555.820
  197   1H5*    G  19          1H5*        G  19-288.802 -18.035 560.746
  198   2H5*    G  19          2H5*        G  19-289.621 -19.260 561.773
  199    H4*    G  19           H4*        G  19-291.172 -17.550 560.691
  200    H3*    G  19           H3*        G  19-291.491 -20.536 560.176
  201    H2*    G  19           H2*        G  19-293.264 -20.123 558.700
  202   2HO*    G  19          2HO*        G  19-294.700 -18.863 559.640
  203    H1*    G  19           H1*        G  19-292.406 -17.622 557.743
  204    H8     G  19           H8         G  19-289.676 -20.195 557.264
  205    H1     G  19           H1         G  19-294.444 -20.795 553.016
  206   1H2     G  19          1H2         G  19-296.198 -19.541 553.659
  207   2H2     G  19          2H2         G  19-296.160 -18.562 555.109
  208   1H5*    U  20          1H5*        U  20-295.843 -18.581 561.696
  209   2H5*    U  20          2H5*        U  20-296.353 -19.989 562.681
  210    H4*    U  20           H4*        U  20-298.113 -19.042 561.066
  211    H3*    U  20           H3*        U  20-297.267 -21.966 561.056
  212    H2*    U  20           H2*        U  20-298.697 -22.422 559.222
  213   2HO*    U  20          2HO*        U  20-300.492 -21.260 558.790
  214    H1*    U  20           H1*        U  20-298.356 -20.009 557.862
  215    H3     U  20           H3         U  20-296.620 -23.355 555.208
  216    H5     U  20           H5         U  20-293.650 -22.651 558.103
  217    H6     U  20           H6         U  20-295.223 -21.208 559.285
  218   1H5*    C  21          1H5*        C  21-301.428 -22.573 560.495
  219   2H5*    C  21          2H5*        C  21-301.962 -23.591 561.874
  220    H4*    C  21           H4*        C  21-302.606 -24.607 559.703
  221    H3*    C  21           H3*        C  21-300.549 -26.030 561.431
  222    H2*    C  21           H2*        C  21-300.194 -27.674 559.777
  223   2HO*    C  21          2HO*        C  21-302.500 -26.806 558.360
  224    H1*    C  21           H1*        C  21-300.524 -26.123 557.538
  225   1H4     C  21          1H4         C  21-294.188 -26.791 558.101
  226   2H4     C  21          2H4         C  21-294.158 -25.803 559.544
  227    H5     C  21           H5         C  21-296.175 -24.989 560.635
  228    H6     C  21           H6         C  21-298.600 -24.736 560.417
  229   1H5*    C  22          1H5*        C  22-302.838 -29.160 559.623
  230   2H5*    C  22          2H5*        C  22-303.405 -30.247 560.933
  231    H4*    C  22           H4*        C  22-302.268 -31.561 559.201
  232    H3*    C  22           H3*        C  22-300.835 -31.271 561.865
  233    H2*    C  22           H2*        C  22-298.945 -32.398 561.069
  234   2HO*    C  22          2HO*        C  22-299.166 -34.163 559.917
  235    H1*    C  22           H1*        C  22-299.243 -31.769 558.310
  236   1H4     C  22          1H4         C  22-293.944 -28.648 560.114
  237   2H4     C  22          2H4         C  22-294.811 -27.778 561.358
  238    H5     C  22           H5         C  22-297.153 -28.115 561.820
  239    H6     C  22           H6         C  22-299.184 -29.327 561.160
  240    H3T    C  22           H3T        C  22-301.621 -33.338 562.075
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1-286.991 -29.249 553.176
    2   2H5*    G   1          2H5*        G   1-286.017 -30.585 552.490
    3    H4*    G   1           H4*        G   1-287.989 -31.836 551.906
    4    H3*    G   1           H3*        G   1-289.420 -29.213 552.298
    5    H2*    G   1           H2*        G   1-291.145 -30.122 553.542
    6   2HO*    G   1          2HO*        G   1-291.842 -32.297 553.209
    7    H1*    G   1           H1*        G   1-289.871 -32.537 554.406
    8    H8     G   1           H8         G   1-287.887 -29.977 556.110
    9    H1     G   1           H1         G   1-293.830 -30.040 558.511
   10   1H2     G   1          2H2         G   1-295.178 -31.261 557.189
   11   2H2     G   1          1H2         G   1-294.604 -32.035 555.729
   12    H5T    G   1           H5T        G   1-287.213 -30.009 550.465
   13   1H5*    G   2          1H5*        G   2-292.028 -32.173 548.790
   14   2H5*    G   2          2H5*        G   2-292.497 -30.719 547.849
   15    H4*    G   2           H4*        G   2-294.366 -32.388 548.093
   16    H3*    G   2           H3*        G   2-294.642 -29.573 549.201
   17    H2*    G   2           H2*        G   2-296.778 -30.084 550.143
   18   2HO*    G   2          2HO*        G   2-297.991 -31.821 549.501
   19    H1*    G   2           H1*        G   2-296.175 -32.542 551.145
   20    H8     G   2           H8         G   2-292.952 -30.954 551.790
   21    H1     G   2           H1         G   2-297.456 -28.371 555.516
   22   1H2     G   2          2H2         G   2-299.490 -28.814 554.689
   23   2H2     G   2          1H2         G   2-299.721 -29.776 553.245
   24   1H5*    A   3          1H5*        A   3-298.326 -29.416 546.772
   25   2H5*    A   3          2H5*        A   3-298.125 -28.010 545.673
   26    H4*    A   3           H4*        A   3-300.194 -27.847 547.071
   27    H3*    A   3           H3*        A   3-297.981 -25.786 547.393
   28    H2*    A   3           H2*        A   3-299.162 -24.715 549.169
   29   2HO*    A   3          2HO*        A   3-301.442 -26.332 548.589
   30    H1*    A   3           H1*        A   3-300.063 -26.968 550.441
   31    H8     A   3           H8         A   3-296.564 -27.795 549.298
   32   1H6     A   3          2H6         A   3-294.544 -24.802 554.301
   33   2H6     A   3          1H6         A   3-294.114 -25.890 553.000
   34    H2     A   3           H2         A   3-298.913 -23.866 553.824
   35   1H5*    C   4          1H5*        C   4-301.082 -23.336 547.610
   36   2H5*    C   4          2H5*        C   4-300.908 -21.881 546.571
   37    H4*    C   4           H4*        C   4-301.064 -21.322 549.013
   38    H3*    C   4           H3*        C   4-298.498 -20.696 547.492
   39    H2*    C   4           H2*        C   4-297.495 -19.884 549.450
   40   2HO*    C   4          2HO*        C   4-298.577 -18.804 550.943
   41    H1*    C   4           H1*        C   4-298.839 -21.550 551.288
   42   1H4     C   4          2H4         C   4-292.706 -23.380 551.197
   43   2H4     C   4          1H4         C   4-292.971 -24.279 549.720
   44    H5     C   4           H5         C   4-295.066 -24.252 548.510
   45    H6     C   4           H6         C   4-297.334 -23.314 548.428
   46   1H5*    C   5          1H5*        C   5-300.046 -16.879 550.183
   47   2H5*    C   5          2H5*        C   5-299.979 -15.678 548.853
   48    H4*    C   5           H4*        C   5-299.049 -14.640 550.831
   49    H3*    C   5           H3*        C   5-296.964 -15.475 548.764
   50    H2*    C   5           H2*        C   5-295.246 -14.659 550.171
   51   2HO*    C   5          2HO*        C   5-295.534 -13.066 551.604
   52    H1*    C   5           H1*        C   5-296.329 -15.393 552.586
   53   1H4     C   5          2H4         C   5-291.744 -19.602 551.026
   54   2H4     C   5          1H4         C   5-292.758 -20.311 549.789
   55    H5     C   5           H5         C   5-294.958 -19.481 549.248
   56    H6     C   5           H6         C   5-296.695 -17.841 549.836
   57   1H5*    U   6          1H5*        U   6-296.064 -11.381 550.369
   58   2H5*    U   6          2H5*        U   6-295.616 -10.365 548.961
   59    H4*    U   6           H4*        U   6-293.972 -10.207 550.845
   60    H3*    U   6           H3*        U   6-293.042 -11.364 548.185
   61    H2*    U   6           H2*        U   6-290.860 -11.660 549.091
   62   2HO*    U   6          2HO*        U   6-290.197 -10.576 550.988
   63    H1*    U   6           H1*        U   6-291.627 -12.296 551.681
   64    H3     U   6           H3         U   6-289.542 -16.119 550.343
   65    H5     U   6           H5         U   6-293.020 -16.031 547.971
   66    H6     U   6           H6         U   6-293.486 -13.801 548.841
   67   1H5*    C   7          1H5*        C   7-289.771  -9.015 549.221
   68   2H5*    C   7          2H5*        C   7-289.211  -8.146 547.753
   69    H4*    C   7           H4*        C   7-287.483  -9.704 548.720
   70    H3*    C   7           H3*        C   7-288.573 -10.203 545.914
   71    H2*    C   7           H2*        C   7-287.221 -12.120 545.724
   72   2HO*    C   7          2HO*        C   7-285.690 -11.318 547.976
   73    H1*    C   7           H1*        C   7-287.220 -12.863 548.394
   74   1H4     C   7          2H4         C   7-290.592 -17.200 545.127
   75   2H4     C   7          1H4         C   7-291.919 -16.080 544.907
   76    H5     C   7           H5         C   7-291.775 -13.721 545.543
   77    H6     C   7           H6         C   7-290.511 -12.102 546.881
   78   1H5*    U   8          1H5*        U   8-283.753 -10.283 546.084
   79   2H5*    U   8          2H5*        U   8-283.426  -9.132 544.751
   80    H4*    U   8           H4*        U   8-281.854 -10.926 544.507
   81    H3*    U   8           H3*        U   8-284.182 -11.147 542.550
   82    H2*    U   8           H2*        U   8-283.196 -13.127 541.664
   83   2HO*    U   8          2HO*        U   8-280.820 -12.586 543.123
   84    H1*    U   8           H1*        U   8-282.226 -14.141 543.996
   85    H3     U   8           H3         U   8-285.345 -17.212 542.731
   86    H5     U   8           H5         U   8-287.653 -13.896 543.916
   87    H6     U   8           H6         U   8-285.584 -12.631 544.199
   88   1H5*    C   9          1H5*        C   9-280.578 -12.119 540.476
   89   2H5*    C   9          2H5*        C   9-280.562 -11.322 538.869
   90    H4*    C   9           H4*        C   9-280.209 -13.824 538.785
   91    H3*    C   9           H3*        C   9-282.570 -12.527 537.382
   92    H2*    C   9           H2*        C   9-283.407 -14.636 536.713
   93   2HO*    C   9          2HO*        C   9-282.113 -16.219 536.113
   94    H1*    C   9           H1*        C   9-282.372 -16.158 538.869
   95   1H4     C   9          2H4         C   9-288.737 -16.128 539.594
   96   2H4     C   9          1H4         C   9-288.713 -14.445 540.070
   97    H5     C   9           H5         C   9-286.706 -13.102 540.080
   98    H6     C   9           H6         C   9-284.287 -13.090 539.650
   99   1H5*    G  10          1H5*        G  10-283.242 -13.234 532.926
  100   2H5*    G  10          2H5*        G  10-283.888 -13.069 534.590
  101    H4*    G  10           H4*        G  10-283.468 -15.790 533.318
  102    H3*    G  10           H3*        G  10-285.772 -13.864 532.868
  103    H2*    G  10           H2*        G  10-287.379 -15.564 533.230
  104   2HO*    G  10          2HO*        G  10-286.498 -17.125 531.854
  105    H1*    G  10           H1*        G  10-286.028 -16.995 535.193
  106    H8     G  10           H8         G  10-285.717 -13.384 536.205
  107    H1     G  10           H1         G  10-291.598 -15.656 537.309
  108   1H2     G  10          2H2         G  10-291.829 -17.682 536.367
  109   2H2     G  10          1H2         G  10-290.543 -18.444 535.458
  110   1H5*    A  11          1H5*        A  11-287.524 -17.023 528.145
  111   2H5*    A  11          2H5*        A  11-286.628 -15.566 527.623
  112    H4*    A  11           H4*        A  11-288.360 -14.124 528.597
  113    H3*    A  11           H3*        A  11-289.484 -16.716 529.644
  114    H2*    A  11           H2*        A  11-291.703 -16.085 529.146
  115   2HO*    A  11          2HO*        A  11-291.515 -13.962 530.063
  116    H1*    A  11           H1*        A  11-291.190 -14.791 526.733
  117    H8     A  11           H8         A  11-289.082 -17.473 525.933
  118   1H6     A  11          2H6         A  11-293.781 -21.490 525.809
  119   2H6     A  11          1H6         A  11-292.101 -21.234 525.395
  120    H2     A  11           H2         A  11-295.212 -17.746 527.837
  121   1H5*    A  12          1H5*        A  12-293.116 -15.521 531.321
  122   2H5*    A  12          2H5*        A  12-292.828 -16.131 532.975
  123    H4*    A  12           H4*        A  12-294.577 -17.330 531.380
  124    H3*    A  12           H3*        A  12-292.590 -18.672 533.247
  125    H2*    A  12           H2*        A  12-293.108 -20.796 532.393
  126   2HO*    A  12          2HO*        A  12-295.525 -19.701 531.328
  127    H1*    A  12           H1*        A  12-293.801 -20.057 529.772
  128    H8     A  12           H8         A  12-290.401 -18.668 530.585
  129   1H6     A  12          2H6         A  12-288.111 -24.275 529.335
  130   2H6     A  12          1H6         A  12-287.718 -22.603 529.672
  131    H2     A  12           H2         A  12-292.584 -24.615 529.466
  132   1H5*    A  13          1H5*        A  13-295.572 -21.625 533.511
  133   2H5*    A  13          2H5*        A  13-295.605 -22.120 535.238
  134    H4*    A  13           H4*        A  13-294.698 -23.873 533.584
  135    H3*    A  13           H3*        A  13-293.192 -22.918 536.032
  136    H2*    A  13           H2*        A  13-291.215 -24.042 535.420
  137   2HO*    A  13          2HO*        A  13-291.227 -25.902 534.347
  138    H1*    A  13           H1*        A  13-291.373 -23.755 532.676
  139    H8     A  13           H8         A  13-292.181 -20.799 535.068
  140   1H6     A  13          2H6         A  13-286.451 -18.863 533.942
  141   2H6     A  13          1H6         A  13-287.963 -18.511 534.749
  142    H2     A  13           H2         A  13-287.015 -22.730 531.758
  143   1H5*    G  14          1H5*        G  14-292.023 -26.486 536.453
  144   2H5*    G  14          2H5*        G  14-292.080 -27.087 538.145
  145    H4*    G  14           H4*        G  14-289.735 -26.627 537.217
  146    H3*    G  14           H3*        G  14-290.818 -25.350 539.742
  147    H2*    G  14           H2*        G  14-288.967 -23.949 539.975
  148   2HO*    G  14          2HO*        G  14-286.955 -24.421 538.970
  149    H1*    G  14           H1*        G  14-288.293 -23.660 537.278
  150    H8     G  14           H8         G  14-291.933 -22.912 538.396
  151    H1     G  14           H1         G  14-287.914 -17.941 538.885
  152   1H2     G  14          1H2         G  14-285.818 -18.607 538.402
  153   2H2     G  14          2H2         G  14-285.441 -20.260 537.966
  154   1H5*    A  15          1H5*        A  15-286.534 -27.290 539.721
  155   2H5*    A  15          2H5*        A  15-286.315 -28.108 541.302
  156    H4*    A  15           H4*        A  15-284.220 -27.034 540.688
  157    H3*    A  15           H3*        A  15-285.760 -25.594 542.902
  158    H2*    A  15           H2*        A  15-283.938 -24.032 543.076
  159   2HO*    A  15          2HO*        A  15-282.461 -25.650 541.239
  160    H1*    A  15           H1*        A  15-283.590 -23.688 540.377
  161    H8     A  15           H8         A  15-287.276 -24.175 541.280
  162   1H6     A  15          2H6         A  15-287.480 -18.190 542.678
  163   2H6     A  15          1H6         A  15-288.408 -19.654 542.440
  164    H2     A  15           H2         A  15-283.194 -19.233 541.810
  165   1H5*    G  16          1H5*        G  16-282.109 -25.452 544.491
  166   2H5*    G  16          2H5*        G  16-282.139 -25.868 546.236
  167    H4*    G  16           H4*        G  16-281.311 -23.537 545.755
  168    H3*    G  16           H3*        G  16-283.884 -23.870 547.383
  169    H2*    G  16           H2*        G  16-283.896 -21.509 547.690
  170   2HO*    G  16          2HO*        G  16-281.264 -21.343 546.619
  171    H1*    G  16           H1*        G  16-282.906 -20.868 545.152
  172    H8     G  16           H8         G  16-285.749 -23.258 544.575
  173    H1     G  16           H1         G  16-287.755 -17.394 546.184
  174   1H2     G  16          1H2         G  16-286.022 -16.192 546.986
  175   2H2     G  16          2H2         G  16-284.408 -16.856 547.116
  176   1H5*    U  17          1H5*        U  17-281.505 -21.280 550.122
  177   2H5*    U  17          2H5*        U  17-281.729 -22.043 551.731
  178    H4*    U  17           H4*        U  17-282.400 -19.614 551.662
  179    H3*    U  17           H3*        U  17-284.463 -21.759 552.303
  180    H2*    U  17           H2*        U  17-286.179 -20.142 552.430
  181   2HO*    U  17          2HO*        U  17-284.223 -18.071 552.593
  182    H1*    U  17           H1*        U  17-285.100 -18.313 550.550
  183    H3     U  17           H3         U  17-289.225 -19.190 548.843
  184    H5     U  17           H5         U  17-287.152 -22.817 548.314
  185    H6     U  17           H6         U  17-285.296 -21.883 549.584
  186   1H5*    G  18          1H5*        G  18-283.256 -19.335 557.072
  187   2H5*    G  18          2H5*        G  18-284.250 -20.592 557.876
  188    H4*    G  18           H4*        G  18-284.622 -18.140 558.622
  189    H3*    G  18           H3*        G  18-286.880 -19.987 557.736
  190    H2*    G  18           H2*        G  18-288.462 -18.204 558.063
  191   2HO*    G  18          2HO*        G  18-288.050 -16.466 559.309
  192    H1*    G  18           H1*        G  18-287.008 -16.247 556.871
  193    H8     G  18           H8         G  18-286.176 -19.362 554.956
  194    H1     G  18           H1         G  18-291.943 -17.069 553.453
  195   1H2     G  18          1H2         G  18-292.504 -15.412 554.855
  196   2H2     G  18          2H2         G  18-291.457 -14.902 556.160
  197   1H5*    G  19          1H5*        G  19-288.718 -18.090 560.889
  198   2H5*    G  19          2H5*        G  19-289.534 -19.300 561.938
  199    H4*    G  19           H4*        G  19-291.094 -17.567 560.936
  200    H3*    G  19           H3*        G  19-291.451 -20.532 560.349
  201    H2*    G  19           H2*        G  19-293.220 -20.083 558.884
  202   2HO*    G  19          2HO*        G  19-294.694 -18.764 559.601
  203    H1*    G  19           H1*        G  19-292.366 -17.563 557.976
  204    H8     G  19           H8         G  19-289.636 -20.131 557.440
  205    H1     G  19           H1         G  19-294.387 -20.588 553.163
  206   1H2     G  19          1H2         G  19-296.148 -19.368 553.853
  207   2H2     G  19          2H2         G  19-296.114 -18.440 555.334
  208   1H5*    U  20          1H5*        U  20-295.663 -18.474 561.484
  209   2H5*    U  20          2H5*        U  20-296.290 -19.698 562.635
  210    H4*    U  20           H4*        U  20-297.994 -18.946 560.935
  211    H3*    U  20           H3*        U  20-297.135 -21.863 561.067
  212    H2*    U  20           H2*        U  20-298.520 -22.405 559.219
  213   2HO*    U  20          2HO*        U  20-299.795 -19.861 559.381
  214    H1*    U  20           H1*        U  20-298.185 -20.039 557.777
  215    H3     U  20           H3         U  20-296.363 -23.385 555.209
  216    H5     U  20           H5         U  20-293.505 -22.716 558.224
  217    H6     U  20           H6         U  20-295.114 -21.267 559.345
  218   1H5*    C  21          1H5*        C  21-301.250 -22.291 560.307
  219   2H5*    C  21          2H5*        C  21-301.940 -23.272 561.642
  220    H4*    C  21           H4*        C  21-302.521 -24.235 559.437
  221    H3*    C  21           H3*        C  21-300.651 -25.811 561.247
  222    H2*    C  21           H2*        C  21-300.351 -27.467 559.586
  223   2HO*    C  21          2HO*        C  21-301.807 -27.770 557.899
  224    H1*    C  21           H1*        C  21-300.491 -25.861 557.356
  225   1H4     C  21          1H4         C  21-294.238 -26.977 558.003
  226   2H4     C  21          2H4         C  21-294.164 -26.039 559.477
  227    H5     C  21           H5         C  21-296.143 -25.148 560.579
  228    H6     C  21           H6         C  21-298.541 -24.719 560.331
  229   1H5*    C  22          1H5*        C  22-303.116 -28.743 559.289
  230   2H5*    C  22          2H5*        C  22-303.760 -29.847 560.549
  231    H4*    C  22           H4*        C  22-302.623 -31.122 558.765
  232    H3*    C  22           H3*        C  22-301.349 -31.077 561.520
  233    H2*    C  22           H2*        C  22-299.469 -32.247 560.777
  234   2HO*    C  22          2HO*        C  22-300.250 -34.069 559.928
  235    H1*    C  22           H1*        C  22-299.593 -31.492 558.025
  236   1H4     C  22          1H4         C  22-294.174 -28.827 560.172
  237   2H4     C  22          2H4         C  22-295.035 -27.937 561.406
  238    H5     C  22           H5         C  22-297.411 -28.131 561.762
  239    H6     C  22           H6         C  22-299.488 -29.182 560.981
  240    H3T    C  22           H3T        C  22-302.170 -33.208 561.441
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1-286.937 -28.481 552.853
    2   2H5*    G   1          2H5*        G   1-285.872 -29.733 552.144
    3    H4*    G   1           H4*        G   1-287.744 -31.166 551.649
    4    H3*    G   1           H3*        G   1-289.397 -28.679 552.096
    5    H2*    G   1           H2*        G   1-290.983 -29.752 553.397
    6   2HO*    G   1          2HO*        G   1-290.278 -32.256 552.227
    7    H1*    G   1           H1*        G   1-289.437 -32.022 554.215
    8    H8     G   1           H8         G   1-287.649 -29.319 555.887
    9    H1     G   1           H1         G   1-293.530 -29.831 558.376
   10   1H2     G   1          2H2         G   1-294.792 -31.175 557.084
   11   2H2     G   1          1H2         G   1-294.176 -31.911 555.622
   12    H5T    G   1           H5T        G   1-287.138 -29.306 550.154
   13   1H5*    G   2          1H5*        G   2-291.856 -31.928 548.806
   14   2H5*    G   2          2H5*        G   2-292.389 -30.563 547.767
   15    H4*    G   2           H4*        G   2-294.196 -32.256 548.056
   16    H3*    G   2           H3*        G   2-294.584 -29.458 549.179
   17    H2*    G   2           H2*        G   2-296.671 -30.070 550.162
   18   2HO*    G   2          2HO*        G   2-297.855 -31.773 549.483
   19    H1*    G   2           H1*        G   2-295.944 -32.493 551.146
   20    H8     G   2           H8         G   2-292.773 -30.764 551.726
   21    H1     G   2           H1         G   2-297.318 -28.358 555.526
   22   1H2     G   2          2H2         G   2-299.346 -28.922 554.752
   23   2H2     G   2          1H2         G   2-299.557 -29.912 553.325
   24   1H5*    A   3          1H5*        A   3-298.369 -29.527 546.822
   25   2H5*    A   3          2H5*        A   3-298.238 -28.131 545.699
   26    H4*    A   3           H4*        A   3-300.321 -28.041 547.070
   27    H3*    A   3           H3*        A   3-298.209 -25.879 547.422
   28    H2*    A   3           H2*        A   3-299.482 -24.851 549.163
   29   2HO*    A   3          2HO*        A   3-301.622 -25.056 549.325
   30    H1*    A   3           H1*        A   3-300.263 -27.136 550.453
   31    H8     A   3           H8         A   3-296.732 -27.793 549.289
   32   1H6     A   3          2H6         A   3-294.799 -24.658 554.222
   33   2H6     A   3          1H6         A   3-294.340 -25.728 552.915
   34    H2     A   3           H2         A   3-299.224 -23.956 553.820
   35   1H5*    C   4          1H5*        C   4-301.284 -23.486 547.574
   36   2H5*    C   4          2H5*        C   4-301.088 -22.028 546.545
   37    H4*    C   4           H4*        C   4-301.224 -21.487 548.993
   38    H3*    C   4           H3*        C   4-298.657 -20.882 547.465
   39    H2*    C   4           H2*        C   4-297.648 -20.086 549.423
   40   2HO*    C   4          2HO*        C   4-300.253 -19.843 550.557
   41    H1*    C   4           H1*        C   4-299.006 -21.735 551.259
   42   1H4     C   4          2H4         C   4-292.839 -23.476 551.134
   43   2H4     C   4          1H4         C   4-293.100 -24.391 549.667
   44    H5     C   4           H5         C   4-295.215 -24.430 548.489
   45    H6     C   4           H6         C   4-297.505 -23.544 548.431
   46   1H5*    C   5          1H5*        C   5-299.999 -16.888 549.997
   47   2H5*    C   5          2H5*        C   5-299.843 -15.741 548.629
   48    H4*    C   5           H4*        C   5-298.795 -14.758 550.598
   49    H3*    C   5           H3*        C   5-296.858 -15.743 548.457
   50    H2*    C   5           H2*        C   5-295.027 -15.101 549.784
   51   2HO*    C   5          2HO*        C   5-296.765 -13.590 551.466
   52    H1*    C   5           H1*        C   5-296.127 -15.638 552.282
   53   1H4     C   5          2H4         C   5-291.768 -20.116 550.791
   54   2H4     C   5          1H4         C   5-292.864 -20.850 549.642
   55    H5     C   5           H5         C   5-295.052 -19.958 549.149
   56    H6     C   5           H6         C   5-296.679 -18.198 549.694
   57   1H5*    U   6          1H5*        U   6-296.002 -11.242 549.945
   58   2H5*    U   6          2H5*        U   6-295.352 -10.466 548.465
   59    H4*    U   6           H4*        U   6-293.996 -10.110 550.614
   60    H3*    U   6           H3*        U   6-292.743 -11.285 548.098
   61    H2*    U   6           H2*        U   6-290.653 -11.468 549.232
   62   2HO*    U   6          2HO*        U   6-290.214 -10.324 551.130
   63    H1*    U   6           H1*        U   6-291.653 -12.146 551.721
   64    H3     U   6           H3         U   6-289.348 -15.892 550.490
   65    H5     U   6           H5         U   6-292.711 -15.922 547.956
   66    H6     U   6           H6         U   6-293.293 -13.708 548.792
   67   1H5*    C   7          1H5*        C   7-289.595  -8.895 549.204
   68   2H5*    C   7          2H5*        C   7-289.038  -8.006 547.747
   69    H4*    C   7           H4*        C   7-287.270  -9.504 548.703
   70    H3*    C   7           H3*        C   7-288.366 -10.065 545.917
   71    H2*    C   7           H2*        C   7-287.029 -11.987 545.743
   72   2HO*    C   7          2HO*        C   7-285.011 -11.632 546.243
   73    H1*    C   7           H1*        C   7-286.979 -12.702 548.414
   74   1H4     C   7          2H4         C   7-290.489 -17.046 545.305
   75   2H4     C   7          1H4         C   7-291.813 -15.919 545.118
   76    H5     C   7           H5         C   7-291.628 -13.553 545.715
   77    H6     C   7           H6         C   7-290.307 -11.931 546.994
   78   1H5*    U   8          1H5*        U   8-283.483 -10.167 545.885
   79   2H5*    U   8          2H5*        U   8-283.250  -9.050 544.503
   80    H4*    U   8           H4*        U   8-281.729 -10.885 544.181
   81    H3*    U   8           H3*        U   8-284.195 -11.038 542.408
   82    H2*    U   8           H2*        U   8-283.449 -13.094 541.522
   83   2HO*    U   8          2HO*        U   8-280.882 -12.325 542.465
   84    H1*    U   8           H1*        U   8-282.165 -14.066 543.740
   85    H3     U   8           H3         U   8-285.333 -17.229 542.891
   86    H5     U   8           H5         U   8-287.589 -13.881 544.083
   87    H6     U   8           H6         U   8-285.523 -12.589 544.166
   88   1H5*    C   9          1H5*        C   9-280.433 -12.000 540.085
   89   2H5*    C   9          2H5*        C   9-280.603 -11.231 538.472
   90    H4*    C   9           H4*        C   9-280.014 -13.727 538.465
   91    H3*    C   9           H3*        C   9-282.409 -12.578 537.009
   92    H2*    C   9           H2*        C   9-283.173 -14.718 536.382
   93   2HO*    C   9          2HO*        C   9-280.464 -15.519 536.778
   94    H1*    C   9           H1*        C   9-282.152 -16.171 538.587
   95   1H4     C   9          2H4         C   9-288.511 -16.070 539.407
   96   2H4     C   9          1H4         C   9-288.461 -14.375 539.834
   97    H5     C   9           H5         C   9-286.446 -13.050 539.762
   98    H6     C   9           H6         C   9-284.033 -13.072 539.282
   99   1H5*    G  10          1H5*        G  10-283.055 -13.221 532.566
  100   2H5*    G  10          2H5*        G  10-283.684 -12.978 534.227
  101    H4*    G  10           H4*        G  10-283.376 -15.747 533.019
  102    H3*    G  10           H3*        G  10-285.630 -13.754 532.603
  103    H2*    G  10           H2*        G  10-287.281 -15.388 533.057
  104   2HO*    G  10          2HO*        G  10-287.027 -17.380 532.392
  105    H1*    G  10           H1*        G  10-285.901 -16.831 534.999
  106    H8     G  10           H8         G  10-285.465 -13.205 535.914
  107    H1     G  10           H1         G  10-291.342 -15.335 537.295
  108   1H2     G  10          2H2         G  10-291.645 -17.377 536.407
  109   2H2     G  10          1H2         G  10-290.406 -18.182 535.469
  110   1H5*    A  11          1H5*        A  11-287.686 -16.976 528.060
  111   2H5*    A  11          2H5*        A  11-286.785 -15.551 527.461
  112    H4*    A  11           H4*        A  11-288.433 -14.052 528.502
  113    H3*    A  11           H3*        A  11-289.574 -16.607 529.617
  114    H2*    A  11           H2*        A  11-291.793 -15.942 529.198
  115   2HO*    A  11          2HO*        A  11-291.520 -13.808 530.090
  116    H1*    A  11           H1*        A  11-291.354 -14.669 526.756
  117    H8     A  11           H8         A  11-289.329 -17.396 525.893
  118   1H6     A  11          2H6         A  11-294.096 -21.326 525.987
  119   2H6     A  11          1H6         A  11-292.428 -21.100 525.507
  120    H2     A  11           H2         A  11-295.386 -17.540 528.037
  121   1H5*    A  12          1H5*        A  12-293.119 -15.348 531.510
  122   2H5*    A  12          2H5*        A  12-292.735 -16.035 533.113
  123    H4*    A  12           H4*        A  12-294.586 -17.136 531.501
  124    H3*    A  12           H3*        A  12-292.642 -18.542 533.365
  125    H2*    A  12           H2*        A  12-293.188 -20.647 532.490
  126   2HO*    A  12          2HO*        A  12-295.597 -19.486 531.480
  127    H1*    A  12           H1*        A  12-293.877 -19.876 529.874
  128    H8     A  12           H8         A  12-290.453 -18.546 530.626
  129   1H6     A  12          2H6         A  12-288.269 -24.208 529.421
  130   2H6     A  12          1H6         A  12-287.843 -22.539 529.721
  131    H2     A  12           H2         A  12-292.742 -24.482 529.645
  132   1H5*    A  13          1H5*        A  13-295.642 -21.511 533.620
  133   2H5*    A  13          2H5*        A  13-295.648 -21.990 535.352
  134    H4*    A  13           H4*        A  13-294.735 -23.742 533.695
  135    H3*    A  13           H3*        A  13-293.222 -22.761 536.129
  136    H2*    A  13           H2*        A  13-291.240 -23.875 535.505
  137   2HO*    A  13          2HO*        A  13-291.234 -25.714 534.366
  138    H1*    A  13           H1*        A  13-291.419 -23.591 532.765
  139    H8     A  13           H8         A  13-292.237 -20.644 535.165
  140   1H6     A  13          2H6         A  13-286.563 -18.612 533.926
  141   2H6     A  13          1H6         A  13-288.068 -18.281 534.753
  142    H2     A  13           H2         A  13-287.100 -22.511 531.784
  143   1H5*    G  14          1H5*        G  14-292.078 -26.336 536.557
  144   2H5*    G  14          2H5*        G  14-292.176 -26.973 538.233
  145    H4*    G  14           H4*        G  14-289.807 -26.586 537.391
  146    H3*    G  14           H3*        G  14-290.903 -25.207 539.856
  147    H2*    G  14           H2*        G  14-289.006 -23.870 540.098
  148   2HO*    G  14          2HO*        G  14-286.990 -24.444 539.243
  149    H1*    G  14           H1*        G  14-288.266 -23.659 537.412
  150    H8     G  14           H8         G  14-291.898 -22.803 538.519
  151    H1     G  14           H1         G  14-287.794 -17.884 538.732
  152   1H2     G  14          1H2         G  14-285.719 -18.600 538.238
  153   2H2     G  14          2H2         G  14-285.374 -20.274 537.863
  154   1H5*    A  15          1H5*        A  15-286.719 -27.364 540.008
  155   2H5*    A  15          2H5*        A  15-286.520 -28.066 541.647
  156    H4*    A  15           H4*        A  15-284.403 -27.074 540.911
  157    H3*    A  15           H3*        A  15-285.864 -25.526 543.108
  158    H2*    A  15           H2*        A  15-283.994 -24.012 543.193
  159   2HO*    A  15          2HO*        A  15-282.027 -24.524 542.446
  160    H1*    A  15           H1*        A  15-283.727 -23.743 540.476
  161    H8     A  15           H8         A  15-287.392 -24.158 541.486
  162   1H6     A  15          2H6         A  15-287.469 -18.172 542.868
  163   2H6     A  15          1H6         A  15-288.422 -19.625 542.669
  164    H2     A  15           H2         A  15-283.227 -19.268 541.856
  165   1H5*    G  16          1H5*        G  16-282.223 -25.499 544.627
  166   2H5*    G  16          2H5*        G  16-282.206 -25.872 546.381
  167    H4*    G  16           H4*        G  16-281.296 -23.593 545.817
  168    H3*    G  16           H3*        G  16-283.833 -23.759 547.528
  169    H2*    G  16           H2*        G  16-283.707 -21.388 547.782
  170   2HO*    G  16          2HO*        G  16-281.858 -20.317 547.727
  171    H1*    G  16           H1*        G  16-282.814 -20.865 545.187
  172    H8     G  16           H8         G  16-285.736 -23.174 544.754
  173    H1     G  16           H1         G  16-287.541 -17.249 546.370
  174   1H2     G  16          1H2         G  16-285.756 -16.074 547.088
  175   2H2     G  16          2H2         G  16-284.152 -16.768 547.161
  176   1H5*    U  17          1H5*        U  17-281.482 -21.318 550.192
  177   2H5*    U  17          2H5*        U  17-281.687 -22.039 551.823
  178    H4*    U  17           H4*        U  17-282.409 -19.640 551.720
  179    H3*    U  17           H3*        U  17-284.467 -21.799 552.331
  180    H2*    U  17           H2*        U  17-286.199 -20.193 552.404
  181   2HO*    U  17          2HO*        U  17-284.259 -18.109 552.589
  182    H1*    U  17           H1*        U  17-285.092 -18.374 550.531
  183    H3     U  17           H3         U  17-289.172 -19.309 548.741
  184    H5     U  17           H5         U  17-287.039 -22.907 548.261
  185    H6     U  17           H6         U  17-285.225 -21.947 549.573
  186   1H5*    G  18          1H5*        G  18-283.302 -19.198 556.862
  187   2H5*    G  18          2H5*        G  18-284.122 -20.431 557.875
  188    H4*    G  18           H4*        G  18-284.646 -18.030 558.518
  189    H3*    G  18           H3*        G  18-286.862 -19.950 557.681
  190    H2*    G  18           H2*        G  18-288.488 -18.206 557.967
  191   2HO*    G  18          2HO*        G  18-286.439 -16.556 559.078
  192    H1*    G  18           H1*        G  18-287.081 -16.229 556.748
  193    H8     G  18           H8         G  18-286.239 -19.426 554.929
  194    H1     G  18           H1         G  18-291.973 -17.133 553.319
  195   1H2     G  18          1H2         G  18-292.510 -15.397 554.627
  196   2H2     G  18          2H2         G  18-291.456 -14.832 555.904
  197   1H5*    G  19          1H5*        G  19-288.800 -18.011 560.731
  198   2H5*    G  19          2H5*        G  19-289.587 -19.219 561.803
  199    H4*    G  19           H4*        G  19-291.190 -17.574 560.722
  200    H3*    G  19           H3*        G  19-291.439 -20.568 560.223
  201    H2*    G  19           H2*        G  19-293.217 -20.215 558.738
  202   2HO*    G  19          2HO*        G  19-293.544 -17.599 559.820
  203    H1*    G  19           H1*        G  19-292.438 -17.687 557.773
  204    H8     G  19           H8         G  19-289.632 -20.178 557.294
  205    H1     G  19           H1         G  19-294.366 -20.880 553.027
  206   1H2     G  19          1H2         G  19-296.164 -19.701 553.686
  207   2H2     G  19          2H2         G  19-296.164 -18.740 555.148
  208   1H5*    U  20          1H5*        U  20-295.738 -18.590 561.610
  209   2H5*    U  20          2H5*        U  20-296.285 -19.902 562.704
  210    H4*    U  20           H4*        U  20-298.063 -19.062 561.100
  211    H3*    U  20           H3*        U  20-297.192 -21.982 561.085
  212    H2*    U  20           H2*        U  20-298.673 -22.450 559.289
  213   2HO*    U  20          2HO*        U  20-299.902 -19.896 559.646
  214    H1*    U  20           H1*        U  20-298.362 -20.047 557.910
  215    H3     U  20           H3         U  20-296.667 -23.374 555.216
  216    H5     U  20           H5         U  20-293.662 -22.711 558.085
  217    H6     U  20           H6         U  20-295.219 -21.284 559.305
  218   1H5*    C  21          1H5*        C  21-301.362 -22.542 560.589
  219   2H5*    C  21          2H5*        C  21-301.892 -23.588 561.949
  220    H4*    C  21           H4*        C  21-302.575 -24.536 559.758
  221    H3*    C  21           H3*        C  21-300.528 -26.040 561.429
  222    H2*    C  21           H2*        C  21-300.248 -27.662 559.732
  223   2HO*    C  21          2HO*        C  21-302.536 -26.688 558.356
  224    H1*    C  21           H1*        C  21-300.563 -26.043 557.538
  225   1H4     C  21          1H4         C  21-294.236 -26.866 557.974
  226   2H4     C  21          2H4         C  21-294.161 -25.918 559.444
  227    H5     C  21           H5         C  21-296.142 -25.116 560.603
  228    H6     C  21           H6         C  21-298.560 -24.779 560.416
  229   1H5*    C  22          1H5*        C  22-302.874 -29.088 559.593
  230   2H5*    C  22          2H5*        C  22-303.432 -30.205 560.881
  231    H4*    C  22           H4*        C  22-302.304 -31.468 559.098
  232    H3*    C  22           H3*        C  22-300.899 -31.278 561.784
  233    H2*    C  22           H2*        C  22-298.994 -32.362 560.976
  234   2HO*    C  22          2HO*        C  22-299.827 -34.248 560.240
  235    H1*    C  22           H1*        C  22-299.288 -31.686 558.220
  236   1H4     C  22          1H4         C  22-293.937 -28.702 560.093
  237   2H4     C  22          2H4         C  22-294.796 -27.822 561.337
  238    H5     C  22           H5         C  22-297.144 -28.118 561.784
  239    H6     C  22           H6         C  22-299.194 -29.290 561.107
  240    H3T    C  22           H3T        C  22-301.959 -33.491 560.322
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1-286.867 -29.427 551.599
    2   2H5*    G   1          2H5*        G   1-286.935 -29.068 553.357
    3    H4*    G   1           H4*        G   1-287.836 -31.718 552.145
    4    H3*    G   1           H3*        G   1-289.359 -29.135 552.485
    5    H2*    G   1           H2*        G   1-291.062 -30.084 553.721
    6   2HO*    G   1          2HO*        G   1-290.501 -32.658 552.635
    7    H1*    G   1           H1*        G   1-289.718 -32.453 554.617
    8    H8     G   1           H8         G   1-287.841 -29.854 556.355
    9    H1     G   1           H1         G   1-293.844 -29.989 558.596
   10   1H2     G   1          2H2         G   1-295.139 -31.235 557.244
   11   2H2     G   1          1H2         G   1-294.516 -32.010 555.805
   12    H5T    G   1           H5T        G   1-285.448 -30.599 553.736
   13   1H5*    G   2          1H5*        G   2-291.864 -32.108 548.833
   14   2H5*    G   2          2H5*        G   2-292.378 -30.613 547.984
   15    H4*    G   2           H4*        G   2-294.193 -32.382 548.203
   16    H3*    G   2           H3*        G   2-294.534 -29.568 549.292
   17    H2*    G   2           H2*        G   2-296.649 -30.120 550.248
   18   2HO*    G   2          2HO*        G   2-296.566 -32.632 548.897
   19    H1*    G   2           H1*        G   2-296.002 -32.571 551.241
   20    H8     G   2           H8         G   2-292.817 -30.927 551.939
   21    H1     G   2           H1         G   2-297.424 -28.400 555.578
   22   1H2     G   2          2H2         G   2-299.442 -28.904 554.733
   23   2H2     G   2          1H2         G   2-299.630 -29.885 553.298
   24   1H5*    A   3          1H5*        A   3-298.217 -29.464 546.799
   25   2H5*    A   3          2H5*        A   3-297.996 -28.062 545.697
   26    H4*    A   3           H4*        A   3-300.090 -27.892 547.056
   27    H3*    A   3           H3*        A   3-297.883 -25.831 547.406
   28    H2*    A   3           H2*        A   3-299.081 -24.754 549.163
   29   2HO*    A   3          2HO*        A   3-301.360 -26.366 548.566
   30    H1*    A   3           H1*        A   3-300.008 -26.996 550.431
   31    H8     A   3           H8         A   3-296.500 -27.846 549.336
   32   1H6     A   3          2H6         A   3-294.509 -24.806 554.319
   33   2H6     A   3          1H6         A   3-294.070 -25.897 553.024
   34    H2     A   3           H2         A   3-298.877 -23.877 553.811
   35   1H5*    C   4          1H5*        C   4-300.987 -23.368 547.538
   36   2H5*    C   4          2H5*        C   4-300.787 -21.916 546.500
   37    H4*    C   4           H4*        C   4-300.997 -21.355 548.938
   38    H3*    C   4           H3*        C   4-298.406 -20.722 547.467
   39    H2*    C   4           H2*        C   4-297.441 -19.910 549.441
   40   2HO*    C   4          2HO*        C   4-298.751 -19.288 551.256
   41    H1*    C   4           H1*        C   4-298.815 -21.567 551.258
   42   1H4     C   4          2H4         C   4-292.659 -23.330 551.258
   43   2H4     C   4          1H4         C   4-292.890 -24.233 549.778
   44    H5     C   4           H5         C   4-294.969 -24.242 548.544
   45    H6     C   4           H6         C   4-297.251 -23.338 548.431
   46   1H5*    C   5          1H5*        C   5-299.952 -16.900 550.095
   47   2H5*    C   5          2H5*        C   5-299.880 -15.698 548.768
   48    H4*    C   5           H4*        C   5-298.963 -14.658 550.751
   49    H3*    C   5           H3*        C   5-296.867 -15.486 548.697
   50    H2*    C   5           H2*        C   5-295.155 -14.692 550.113
   51   2HO*    C   5          2HO*        C   5-295.413 -13.028 551.422
   52    H1*    C   5           H1*        C   5-296.252 -15.408 552.526
   53   1H4     C   5          2H4         C   5-291.682 -19.646 551.003
   54   2H4     C   5          1H4         C   5-292.709 -20.376 549.789
   55    H5     C   5           H5         C   5-294.905 -19.547 549.247
   56    H6     C   5           H6         C   5-296.625 -17.876 549.802
   57   1H5*    U   6          1H5*        U   6-296.006 -11.305 550.331
   58   2H5*    U   6          2H5*        U   6-295.524 -10.329 548.904
   59    H4*    U   6           H4*        U   6-293.927 -10.141 550.843
   60    H3*    U   6           H3*        U   6-292.946 -11.290 548.200
   61    H2*    U   6           H2*        U   6-290.774 -11.578 549.140
   62   2HO*    U   6          2HO*        U   6-290.064 -10.438 550.898
   63    H1*    U   6           H1*        U   6-291.574 -12.256 551.701
   64    H3     U   6           H3         U   6-289.541 -16.097 550.328
   65    H5     U   6           H5         U   6-292.997 -15.918 547.932
   66    H6     U   6           H6         U   6-293.434 -13.694 548.829
   67   1H5*    C   7          1H5*        C   7-289.700  -8.944 549.230
   68   2H5*    C   7          2H5*        C   7-289.138  -8.075 547.765
   69    H4*    C   7           H4*        C   7-287.411  -9.635 548.727
   70    H3*    C   7           H3*        C   7-288.508 -10.131 545.925
   71    H2*    C   7           H2*        C   7-287.170 -12.058 545.733
   72   2HO*    C   7          2HO*        C   7-285.160 -11.866 546.323
   73    H1*    C   7           H1*        C   7-287.180 -12.813 548.397
   74   1H4     C   7          2H4         C   7-290.650 -17.071 545.138
   75   2H4     C   7          1H4         C   7-291.958 -15.927 544.937
   76    H5     C   7           H5         C   7-291.764 -13.573 545.576
   77    H6     C   7           H6         C   7-290.457 -11.980 546.902
   78   1H5*    U   8          1H5*        U   8-283.701 -10.288 546.085
   79   2H5*    U   8          2H5*        U   8-283.353  -9.148 544.748
   80    H4*    U   8           H4*        U   8-281.813 -10.971 544.514
   81    H3*    U   8           H3*        U   8-284.135 -11.155 542.547
   82    H2*    U   8           H2*        U   8-283.175 -13.153 541.668
   83   2HO*    U   8          2HO*        U   8-280.801 -12.484 543.092
   84    H1*    U   8           H1*        U   8-282.234 -14.179 544.008
   85    H3     U   8           H3         U   8-285.400 -17.204 542.740
   86    H5     U   8           H5         U   8-287.654 -13.854 543.935
   87    H6     U   8           H6         U   8-285.567 -12.617 544.199
   88   1H5*    C   9          1H5*        C   9-280.513 -12.192 540.518
   89   2H5*    C   9          2H5*        C   9-280.455 -11.391 538.914
   90    H4*    C   9           H4*        C   9-280.130 -13.894 538.825
   91    H3*    C   9           H3*        C   9-282.462 -12.573 537.392
   92    H2*    C   9           H2*        C   9-283.298 -14.675 536.700
   93   2HO*    C   9          2HO*        C   9-280.787 -15.879 537.306
   94    H1*    C   9           H1*        C   9-282.310 -16.207 538.869
   95   1H4     C   9          2H4         C   9-288.682 -16.145 539.528
   96   2H4     C   9          1H4         C   9-288.652 -14.467 540.019
   97    H5     C   9           H5         C   9-286.639 -13.132 540.045
   98    H6     C   9           H6         C   9-284.216 -13.130 539.630
   99   1H5*    G  10          1H5*        G  10-283.087 -13.250 532.926
  100   2H5*    G  10          2H5*        G  10-283.752 -13.076 534.583
  101    H4*    G  10           H4*        G  10-283.362 -15.801 533.305
  102    H3*    G  10           H3*        G  10-285.637 -13.839 532.860
  103    H2*    G  10           H2*        G  10-287.266 -15.524 533.198
  104   2HO*    G  10          2HO*        G  10-285.124 -17.368 532.755
  105    H1*    G  10           H1*        G  10-285.944 -16.979 535.160
  106    H8     G  10           H8         G  10-285.594 -13.379 536.197
  107    H1     G  10           H1         G  10-291.512 -15.584 537.239
  108   1H2     G  10          2H2         G  10-291.762 -17.598 536.275
  109   2H2     G  10          1H2         G  10-290.478 -18.370 535.371
  110   1H5*    A  11          1H5*        A  11-287.373 -16.938 528.058
  111   2H5*    A  11          2H5*        A  11-286.422 -15.509 527.559
  112    H4*    A  11           H4*        A  11-288.128 -14.014 528.508
  113    H3*    A  11           H3*        A  11-289.341 -16.572 529.527
  114    H2*    A  11           H2*        A  11-291.530 -15.882 529.001
  115   2HO*    A  11          2HO*        A  11-291.366 -13.778 529.908
  116    H1*    A  11           H1*        A  11-290.963 -14.608 526.600
  117    H8     A  11           H8         A  11-288.893 -17.324 525.817
  118   1H6     A  11          2H6         A  11-293.643 -21.271 525.664
  119   2H6     A  11          1H6         A  11-291.956 -21.031 525.263
  120    H2     A  11           H2         A  11-295.040 -17.489 527.670
  121   1H5*    A  12          1H5*        A  12-292.966 -15.357 531.126
  122   2H5*    A  12          2H5*        A  12-292.707 -15.929 532.798
  123    H4*    A  12           H4*        A  12-294.442 -17.157 531.222
  124    H3*    A  12           H3*        A  12-292.455 -18.479 533.105
  125    H2*    A  12           H2*        A  12-292.987 -20.612 532.282
  126   2HO*    A  12          2HO*        A  12-295.410 -19.488 531.259
  127    H1*    A  12           H1*        A  12-293.683 -19.897 529.652
  128    H8     A  12           H8         A  12-290.275 -18.526 530.449
  129   1H6     A  12          2H6         A  12-288.025 -24.158 529.222
  130   2H6     A  12          1H6         A  12-287.618 -22.487 529.542
  131    H2     A  12           H2         A  12-292.498 -24.467 529.367
  132   1H5*    A  13          1H5*        A  13-295.505 -21.399 533.383
  133   2H5*    A  13          2H5*        A  13-295.532 -21.898 535.108
  134    H4*    A  13           H4*        A  13-294.683 -23.657 533.416
  135    H3*    A  13           H3*        A  13-293.175 -22.793 535.896
  136    H2*    A  13           H2*        A  13-291.225 -23.964 535.282
  137   2HO*    A  13          2HO*        A  13-292.800 -25.391 533.366
  138    H1*    A  13           H1*        A  13-291.347 -23.630 532.542
  139    H8     A  13           H8         A  13-292.089 -20.678 534.956
  140   1H6     A  13          2H6         A  13-286.294 -18.904 533.889
  141   2H6     A  13          1H6         A  13-287.803 -18.511 534.682
  142    H2     A  13           H2         A  13-286.949 -22.744 531.686
  143   1H5*    G  14          1H5*        G  14-292.082 -26.398 536.262
  144   2H5*    G  14          2H5*        G  14-292.196 -27.033 537.939
  145    H4*    G  14           H4*        G  14-289.814 -26.611 537.079
  146    H3*    G  14           H3*        G  14-290.933 -25.365 539.600
  147    H2*    G  14           H2*        G  14-289.077 -23.987 539.903
  148   2HO*    G  14          2HO*        G  14-287.042 -24.467 538.979
  149    H1*    G  14           H1*        G  14-288.319 -23.668 537.230
  150    H8     G  14           H8         G  14-291.974 -22.885 538.292
  151    H1     G  14           H1         G  14-287.913 -17.948 538.789
  152   1H2     G  14          1H2         G  14-285.817 -18.641 538.338
  153   2H2     G  14          2H2         G  14-285.454 -20.300 537.917
  154   1H5*    A  15          1H5*        A  15-286.641 -27.370 539.715
  155   2H5*    A  15          2H5*        A  15-286.464 -28.124 541.333
  156    H4*    A  15           H4*        A  15-284.372 -27.018 540.704
  157    H3*    A  15           H3*        A  15-285.958 -25.597 542.903
  158    H2*    A  15           H2*        A  15-284.132 -24.038 543.098
  159   2HO*    A  15          2HO*        A  15-282.124 -24.461 542.358
  160    H1*    A  15           H1*        A  15-283.755 -23.706 540.398
  161    H8     A  15           H8         A  15-287.456 -24.133 541.290
  162   1H6     A  15          2H6         A  15-287.573 -18.142 542.675
  163   2H6     A  15          1H6         A  15-288.521 -19.594 542.438
  164    H2     A  15           H2         A  15-283.296 -19.256 541.813
  165   1H5*    G  16          1H5*        G  16-282.261 -25.450 544.479
  166   2H5*    G  16          2H5*        G  16-282.285 -25.863 546.224
  167    H4*    G  16           H4*        G  16-281.433 -23.539 545.722
  168    H3*    G  16           H3*        G  16-283.984 -23.837 547.391
  169    H2*    G  16           H2*        G  16-283.957 -21.474 547.693
  170   2HO*    G  16          2HO*        G  16-282.116 -20.232 547.327
  171    H1*    G  16           H1*        G  16-282.990 -20.859 545.140
  172    H8     G  16           H8         G  16-285.888 -23.194 544.614
  173    H1     G  16           H1         G  16-287.744 -17.278 546.200
  174   1H2     G  16          1H2         G  16-285.974 -16.105 546.979
  175   2H2     G  16          2H2         G  16-284.375 -16.806 547.093
  176   1H5*    U  17          1H5*        U  17-281.554 -21.300 550.137
  177   2H5*    U  17          2H5*        U  17-281.801 -22.064 551.743
  178    H4*    U  17           H4*        U  17-282.441 -19.622 551.666
  179    H3*    U  17           H3*        U  17-284.522 -21.746 552.314
  180    H2*    U  17           H2*        U  17-286.228 -20.118 552.427
  181   2HO*    U  17          2HO*        U  17-284.269 -18.050 552.572
  182    H1*    U  17           H1*        U  17-285.134 -18.303 550.539
  183    H3     U  17           H3         U  17-289.252 -19.153 548.802
  184    H5     U  17           H5         U  17-287.210 -22.806 548.326
  185    H6     U  17           H6         U  17-285.354 -21.876 549.601
  186   1H5*    G  18          1H5*        G  18-283.296 -19.421 557.123
  187   2H5*    G  18          2H5*        G  18-284.338 -20.654 557.906
  188    H4*    G  18           H4*        G  18-284.639 -18.179 558.643
  189    H3*    G  18           H3*        G  18-286.935 -19.990 557.785
  190    H2*    G  18           H2*        G  18-288.482 -18.175 558.090
  191   2HO*    G  18          2HO*        G  18-286.309 -16.786 559.332
  192    H1*    G  18           H1*        G  18-286.995 -16.257 556.879
  193    H8     G  18           H8         G  18-286.195 -19.375 554.972
  194    H1     G  18           H1         G  18-291.964 -17.077 553.496
  195   1H2     G  18          1H2         G  18-292.519 -15.414 554.901
  196   2H2     G  18          2H2         G  18-291.463 -14.907 556.201
  197   1H5*    G  19          1H5*        G  19-288.772 -18.163 561.030
  198   2H5*    G  19          2H5*        G  19-289.617 -19.413 562.005
  199    H4*    G  19           H4*        G  19-291.129 -17.618 561.002
  200    H3*    G  19           H3*        G  19-291.518 -20.572 560.382
  201    H2*    G  19           H2*        G  19-293.254 -20.082 558.891
  202   2HO*    G  19          2HO*        G  19-293.474 -17.475 560.020
  203    H1*    G  19           H1*        G  19-292.347 -17.573 558.019
  204    H8     G  19           H8         G  19-289.622 -20.143 557.508
  205    H1     G  19           H1         G  19-294.331 -20.602 553.180
  206   1H2     G  19          1H2         G  19-296.096 -19.375 553.845
  207   2H2     G  19          2H2         G  19-296.079 -18.444 555.326
  208   1H5*    U  20          1H5*        U  20-295.747 -18.497 561.511
  209   2H5*    U  20          2H5*        U  20-296.383 -19.747 562.630
  210    H4*    U  20           H4*        U  20-298.062 -18.956 560.911
  211    H3*    U  20           H3*        U  20-297.229 -21.877 561.059
  212    H2*    U  20           H2*        U  20-298.565 -22.414 559.176
  213   2HO*    U  20          2HO*        U  20-299.845 -19.871 559.312
  214    H1*    U  20           H1*        U  20-298.207 -20.050 557.741
  215    H3     U  20           H3         U  20-296.340 -23.396 555.210
  216    H5     U  20           H5         U  20-293.533 -22.728 558.268
  217    H6     U  20           H6         U  20-295.154 -21.268 559.358
  218   1H5*    C  21          1H5*        C  21-301.335 -22.299 560.181
  219   2H5*    C  21          2H5*        C  21-302.052 -23.273 561.508
  220    H4*    C  21           H4*        C  21-302.575 -24.261 559.298
  221    H3*    C  21           H3*        C  21-300.745 -25.803 561.177
  222    H2*    C  21           H2*        C  21-300.388 -27.476 559.550
  223   2HO*    C  21          2HO*        C  21-302.520 -26.458 557.971
  224    H1*    C  21           H1*        C  21-300.476 -25.909 557.297
  225   1H4     C  21          1H4         C  21-294.233 -26.969 558.136
  226   2H4     C  21          2H4         C  21-294.208 -26.016 559.603
  227    H5     C  21           H5         C  21-296.220 -25.114 560.629
  228    H6     C  21           H6         C  21-298.617 -24.713 560.313
  229   1H5*    C  22          1H5*        C  22-303.152 -28.785 559.201
  230   2H5*    C  22          2H5*        C  22-303.817 -29.869 560.467
  231    H4*    C  22           H4*        C  22-302.647 -31.173 558.727
  232    H3*    C  22           H3*        C  22-301.421 -31.078 561.504
  233    H2*    C  22           H2*        C  22-299.527 -32.260 560.812
  234   2HO*    C  22          2HO*        C  22-300.184 -34.090 559.933
  235    H1*    C  22           H1*        C  22-299.597 -31.539 558.050
  236   1H4     C  22          1H4         C  22-294.243 -28.811 560.270
  237   2H4     C  22          2H4         C  22-295.133 -27.914 561.480
  238    H5     C  22           H5         C  22-297.515 -28.121 561.793
  239    H6     C  22           H6         C  22-299.568 -29.196 560.980
  240    H3T    C  22           H3T        C  22-302.362 -33.073 561.577
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1-286.775 -28.456 553.084
    2   2H5*    G   1          2H5*        G   1-285.677 -29.719 552.447
    3    H4*    G   1           H4*        G   1-287.526 -31.179 551.929
    4    H3*    G   1           H3*        G   1-289.205 -28.698 552.284
    5    H2*    G   1           H2*        G   1-290.811 -29.750 553.568
    6   2HO*    G   1          2HO*        G   1-290.091 -32.294 552.509
    7    H1*    G   1           H1*        G   1-289.274 -32.000 554.467
    8    H8     G   1           H8         G   1-287.542 -29.257 556.128
    9    H1     G   1           H1         G   1-293.477 -29.747 558.496
   10   1H2     G   1          2H2         G   1-294.706 -31.120 557.200
   11   2H2     G   1          1H2         G   1-294.053 -31.881 555.766
   12    H5T    G   1           H5T        G   1-287.458 -28.030 551.045
   13   1H5*    G   2          1H5*        G   2-291.600 -31.970 548.915
   14   2H5*    G   2          2H5*        G   2-292.152 -30.585 547.918
   15    H4*    G   2           H4*        G   2-293.924 -32.341 548.207
   16    H3*    G   2           H3*        G   2-294.362 -29.524 549.256
   17    H2*    G   2           H2*        G   2-296.442 -30.134 550.243
   18   2HO*    G   2          2HO*        G   2-297.642 -31.429 549.086
   19    H1*    G   2           H1*        G   2-295.710 -32.541 551.267
   20    H8     G   2           H8         G   2-292.569 -30.780 551.892
   21    H1     G   2           H1         G   2-297.213 -28.372 555.569
   22   1H2     G   2          2H2         G   2-299.220 -28.967 554.762
   23   2H2     G   2          1H2         G   2-299.392 -29.974 553.343
   24   1H5*    A   3          1H5*        A   3-298.136 -29.689 546.836
   25   2H5*    A   3          2H5*        A   3-297.982 -28.315 545.688
   26    H4*    A   3           H4*        A   3-300.095 -28.204 547.016
   27    H3*    A   3           H3*        A   3-297.995 -26.031 547.349
   28    H2*    A   3           H2*        A   3-299.285 -24.965 549.051
   29   2HO*    A   3          2HO*        A   3-301.467 -26.714 548.484
   30    H1*    A   3           H1*        A   3-300.102 -27.216 550.376
   31    H8     A   3           H8         A   3-296.552 -27.900 549.301
   32   1H6     A   3          2H6         A   3-294.711 -24.665 554.202
   33   2H6     A   3          1H6         A   3-294.230 -25.767 552.930
   34    H2     A   3           H2         A   3-299.124 -23.958 553.695
   35   1H5*    C   4          1H5*        C   4-301.115 -23.655 547.455
   36   2H5*    C   4          2H5*        C   4-300.924 -22.216 546.396
   37    H4*    C   4           H4*        C   4-301.096 -21.623 548.829
   38    H3*    C   4           H3*        C   4-298.516 -21.032 547.316
   39    H2*    C   4           H2*        C   4-297.540 -20.173 549.262
   40   2HO*    C   4          2HO*        C   4-300.149 -19.949 550.393
   41    H1*    C   4           H1*        C   4-298.899 -21.792 551.123
   42   1H4     C   4          2H4         C   4-292.726 -23.510 551.122
   43   2H4     C   4          1H4         C   4-292.964 -24.465 549.676
   44    H5     C   4           H5         C   4-295.053 -24.519 548.458
   45    H6     C   4           H6         C   4-297.345 -23.641 548.343
   46   1H5*    C   5          1H5*        C   5-299.919 -17.036 549.803
   47   2H5*    C   5          2H5*        C   5-299.766 -15.902 548.423
   48    H4*    C   5           H4*        C   5-298.749 -14.885 550.390
   49    H3*    C   5           H3*        C   5-296.795 -15.856 548.264
   50    H2*    C   5           H2*        C   5-294.972 -15.203 549.590
   51   2HO*    C   5          2HO*        C   5-295.021 -13.433 550.757
   52    H1*    C   5           H1*        C   5-296.077 -15.713 552.094
   53   1H4     C   5          2H4         C   5-291.682 -20.185 550.702
   54   2H4     C   5          1H4         C   5-292.756 -20.926 549.536
   55    H5     C   5           H5         C   5-294.935 -20.043 548.999
   56    H6     C   5           H6         C   5-296.577 -18.287 549.509
   57   1H5*    U   6          1H5*        U   6-296.023 -11.202 549.687
   58   2H5*    U   6          2H5*        U   6-295.307 -10.532 548.187
   59    H4*    U   6           H4*        U   6-294.043 -10.093 550.400
   60    H3*    U   6           H3*        U   6-292.716 -11.283 547.932
   61    H2*    U   6           H2*        U   6-290.652 -11.440 549.118
   62   2HO*    U   6          2HO*        U   6-290.210 -10.229 550.927
   63    H1*    U   6           H1*        U   6-291.696 -12.109 551.586
   64    H3     U   6           H3         U   6-289.378 -15.867 550.415
   65    H5     U   6           H5         U   6-292.698 -15.902 547.825
   66    H6     U   6           H6         U   6-293.285 -13.681 548.634
   67   1H5*    C   7          1H5*        C   7-289.610  -8.870 549.097
   68   2H5*    C   7          2H5*        C   7-289.021  -7.991 547.647
   69    H4*    C   7           H4*        C   7-287.269  -9.473 548.645
   70    H3*    C   7           H3*        C   7-288.322 -10.089 545.851
   71    H2*    C   7           H2*        C   7-286.960 -11.999 545.731
   72   2HO*    C   7          2HO*        C   7-285.184 -12.275 547.265
   73    H1*    C   7           H1*        C   7-286.975 -12.688 548.404
   74   1H4     C   7          2H4         C   7-290.470 -17.010 545.226
   75   2H4     C   7          1H4         C   7-291.770 -15.861 545.002
   76    H5     C   7           H5         C   7-291.569 -13.506 545.601
   77    H6     C   7           H6         C   7-290.258 -11.891 546.894
   78   1H5*    U   8          1H5*        U   8-283.527 -10.225 546.034
   79   2H5*    U   8          2H5*        U   8-283.178  -9.087 544.695
   80    H4*    U   8           H4*        U   8-281.621 -10.881 544.454
   81    H3*    U   8           H3*        U   8-283.964 -11.152 542.523
   82    H2*    U   8           H2*        U   8-282.966 -13.139 541.661
   83   2HO*    U   8          2HO*        U   8-280.605 -12.210 542.942
   84    H1*    U   8           H1*        U   8-281.997 -14.118 544.006
   85    H3     U   8           H3         U   8-285.180 -17.170 542.777
   86    H5     U   8           H5         U   8-287.416 -13.827 544.028
   87    H6     U   8           H6         U   8-285.326 -12.585 544.258
   88   1H5*    C   9          1H5*        C   9-280.423 -12.175 540.386
   89   2H5*    C   9          2H5*        C   9-280.437 -11.363 538.784
   90    H4*    C   9           H4*        C   9-280.117 -13.843 538.619
   91    H3*    C   9           H3*        C   9-282.617 -12.577 537.426
   92    H2*    C   9           H2*        C   9-283.399 -14.699 536.743
   93   2HO*    C   9          2HO*        C   9-282.070 -16.354 536.237
   94    H1*    C   9           H1*        C   9-282.256 -16.203 538.843
   95   1H4     C   9          2H4         C   9-288.602 -16.100 539.815
   96   2H4     C   9          1H4         C   9-288.543 -14.410 540.261
   97    H5     C   9           H5         C   9-286.526 -13.096 540.199
   98    H6     C   9           H6         C   9-284.122 -13.114 539.692
   99   1H5*    G  10          1H5*        G  10-283.419 -13.301 532.703
  100   2H5*    G  10          2H5*        G  10-283.988 -12.975 534.373
  101    H4*    G  10           H4*        G  10-283.380 -15.792 533.430
  102    H3*    G  10           H3*        G  10-285.885 -14.161 532.887
  103    H2*    G  10           H2*        G  10-287.286 -15.922 533.606
  104   2HO*    G  10          2HO*        G  10-285.026 -17.669 533.496
  105    H1*    G  10           H1*        G  10-285.707 -16.918 535.655
  106    H8     G  10           H8         G  10-285.508 -13.304 536.376
  107    H1     G  10           H1         G  10-291.393 -15.514 537.580
  108   1H2     G  10          2H2         G  10-291.638 -17.565 536.704
  109   2H2     G  10          1H2         G  10-290.360 -18.367 535.820
  110   1H5*    A  11          1H5*        A  11-287.339 -16.082 528.138
  111   2H5*    A  11          2H5*        A  11-286.497 -14.636 527.504
  112    H4*    A  11           H4*        A  11-288.213 -13.176 528.372
  113    H3*    A  11           H3*        A  11-289.140 -15.605 529.907
  114    H2*    A  11           H2*        A  11-291.401 -15.168 529.495
  115   2HO*    A  11          2HO*        A  11-291.600 -13.082 530.159
  116    H1*    A  11           H1*        A  11-291.116 -13.955 526.937
  117    H8     A  11           H8         A  11-289.210 -16.821 526.207
  118   1H6     A  11          2H6         A  11-294.175 -20.496 526.512
  119   2H6     A  11          1H6         A  11-292.502 -20.378 526.013
  120    H2     A  11           H2         A  11-295.262 -16.552 528.375
  121   1H5*    A  12          1H5*        A  12-291.718 -15.265 533.797
  122   2H5*    A  12          2H5*        A  12-290.574 -16.457 533.100
  123    H4*    A  12           H4*        A  12-293.509 -15.994 532.356
  124    H3*    A  12           H3*        A  12-292.007 -18.224 533.751
  125    H2*    A  12           H2*        A  12-293.110 -19.911 532.553
  126   2HO*    A  12          2HO*        A  12-295.134 -19.693 531.765
  127    H1*    A  12           H1*        A  12-293.409 -18.621 530.117
  128    H8     A  12           H8         A  12-289.908 -17.833 530.749
  129   1H6     A  12          2H6         A  12-288.395 -23.700 529.539
  130   2H6     A  12          1H6         A  12-287.784 -22.081 529.793
  131    H2     A  12           H2         A  12-292.856 -23.500 530.022
  132   1H5*    A  13          1H5*        A  13-295.457 -20.737 533.754
  133   2H5*    A  13          2H5*        A  13-295.519 -21.227 535.479
  134    H4*    A  13           H4*        A  13-294.897 -23.067 533.759
  135    H3*    A  13           H3*        A  13-293.312 -22.426 536.260
  136    H2*    A  13           H2*        A  13-291.514 -23.813 535.641
  137   2HO*    A  13          2HO*        A  13-293.294 -25.014 533.748
  138    H1*    A  13           H1*        A  13-291.554 -23.408 532.917
  139    H8     A  13           H8         A  13-292.015 -20.479 535.431
  140   1H6     A  13          2H6         A  13-286.120 -19.162 534.342
  141   2H6     A  13          1H6         A  13-287.593 -18.662 535.148
  142    H2     A  13           H2         A  13-287.105 -22.891 532.054
  143   1H5*    G  14          1H5*        G  14-292.460 -26.164 536.592
  144   2H5*    G  14          2H5*        G  14-292.600 -26.709 538.300
  145    H4*    G  14           H4*        G  14-290.199 -26.460 537.365
  146    H3*    G  14           H3*        G  14-291.195 -25.154 539.910
  147    H2*    G  14           H2*        G  14-289.265 -23.876 540.172
  148   2HO*    G  14          2HO*        G  14-287.971 -25.710 538.402
  149    H1*    G  14           H1*        G  14-288.557 -23.566 537.494
  150    H8     G  14           H8         G  14-292.160 -22.685 538.674
  151    H1     G  14           H1         G  14-287.952 -17.857 538.980
  152   1H2     G  14          1H2         G  14-285.894 -18.610 538.457
  153   2H2     G  14          2H2         G  14-285.593 -20.281 538.037
  154   1H5*    A  15          1H5*        A  15-287.000 -27.356 539.924
  155   2H5*    A  15          2H5*        A  15-286.808 -28.101 541.543
  156    H4*    A  15           H4*        A  15-284.693 -27.084 540.840
  157    H3*    A  15           H3*        A  15-286.152 -25.577 543.071
  158    H2*    A  15           H2*        A  15-284.241 -24.111 543.200
  159   2HO*    A  15          2HO*        A  15-282.898 -25.791 541.321
  160    H1*    A  15           H1*        A  15-283.957 -23.801 540.483
  161    H8     A  15           H8         A  15-287.627 -24.088 541.528
  162   1H6     A  15          2H6         A  15-287.493 -18.093 542.842
  163   2H6     A  15          1H6         A  15-288.493 -19.517 542.651
  164    H2     A  15           H2         A  15-283.288 -19.351 541.844
  165   1H5*    G  16          1H5*        G  16-282.439 -25.611 544.585
  166   2H5*    G  16          2H5*        G  16-282.455 -25.989 546.338
  167    H4*    G  16           H4*        G  16-281.501 -23.717 545.768
  168    H3*    G  16           H3*        G  16-284.017 -23.871 547.510
  169    H2*    G  16           H2*        G  16-283.879 -21.501 547.768
  170   2HO*    G  16          2HO*        G  16-281.911 -20.816 548.140
  171    H1*    G  16           H1*        G  16-282.986 -20.971 545.171
  172    H8     G  16           H8         G  16-285.950 -23.246 544.770
  173    H1     G  16           H1         G  16-287.656 -17.273 546.317
  174   1H2     G  16          1H2         G  16-285.852 -16.118 547.020
  175   2H2     G  16          2H2         G  16-284.260 -16.838 547.105
  176   1H5*    U  17          1H5*        U  17-281.562 -21.431 550.152
  177   2H5*    U  17          2H5*        U  17-281.793 -22.136 551.788
  178    H4*    U  17           H4*        U  17-282.455 -19.711 551.639
  179    H3*    U  17           H3*        U  17-284.533 -21.825 552.326
  180    H2*    U  17           H2*        U  17-286.240 -20.194 552.393
  181   2HO*    U  17          2HO*        U  17-284.284 -18.122 552.497
  182    H1*    U  17           H1*        U  17-285.137 -18.426 550.472
  183    H3     U  17           H3         U  17-289.253 -19.329 548.743
  184    H5     U  17           H5         U  17-287.179 -22.967 548.317
  185    H6     U  17           H6         U  17-285.344 -22.015 549.601
  186   1H5*    G  18          1H5*        G  18-283.309 -19.188 556.872
  187   2H5*    G  18          2H5*        G  18-284.190 -20.410 557.848
  188    H4*    G  18           H4*        G  18-284.654 -17.974 558.467
  189    H3*    G  18           H3*        G  18-286.893 -19.880 557.665
  190    H2*    G  18           H2*        G  18-288.499 -18.112 557.916
  191   2HO*    G  18          2HO*        G  18-288.133 -16.346 559.119
  192    H1*    G  18           H1*        G  18-287.068 -16.173 556.661
  193    H8     G  18           H8         G  18-286.247 -19.406 554.909
  194    H1     G  18           H1         G  18-291.949 -17.101 553.218
  195   1H2     G  18          1H2         G  18-292.494 -15.352 554.498
  196   2H2     G  18          2H2         G  18-291.453 -14.775 555.780
  197   1H5*    G  19          1H5*        G  19-288.834 -17.906 560.680
  198   2H5*    G  19          2H5*        G  19-289.644 -19.097 561.751
  199    H4*    G  19           H4*        G  19-291.223 -17.464 560.619
  200    H3*    G  19           H3*        G  19-291.474 -20.464 560.147
  201    H2*    G  19           H2*        G  19-293.226 -20.117 558.633
  202   2HO*    G  19          2HO*        G  19-294.632 -18.459 558.766
  203    H1*    G  19           H1*        G  19-292.407 -17.613 557.642
  204    H8     G  19           H8         G  19-289.600 -20.119 557.266
  205    H1     G  19           H1         G  19-294.260 -20.917 552.934
  206   1H2     G  19          1H2         G  19-296.065 -19.716 553.530
  207   2H2     G  19          2H2         G  19-296.087 -18.719 554.968
  208   1H5*    U  20          1H5*        U  20-295.801 -18.477 561.459
  209   2H5*    U  20          2H5*        U  20-296.363 -19.792 562.540
  210    H4*    U  20           H4*        U  20-298.109 -18.949 560.893
  211    H3*    U  20           H3*        U  20-297.251 -21.870 560.938
  212    H2*    U  20           H2*        U  20-298.687 -22.362 559.113
  213   2HO*    U  20          2HO*        U  20-300.259 -20.666 558.444
  214    H1*    U  20           H1*        U  20-298.341 -19.979 557.707
  215    H3     U  20           H3         U  20-296.579 -23.353 555.114
  216    H5     U  20           H5         U  20-293.643 -22.628 558.037
  217    H6     U  20           H6         U  20-295.229 -21.179 559.190
  218   1H5*    C  21          1H5*        C  21-301.419 -22.476 560.326
  219   2H5*    C  21          2H5*        C  21-301.958 -23.488 561.707
  220    H4*    C  21           H4*        C  21-302.577 -24.512 559.528
  221    H3*    C  21           H3*        C  21-300.549 -25.930 561.297
  222    H2*    C  21           H2*        C  21-300.200 -27.600 559.662
  223   2HO*    C  21          2HO*        C  21-301.680 -28.064 558.060
  224    H1*    C  21           H1*        C  21-300.478 -26.055 557.409
  225   1H4     C  21          1H4         C  21-294.159 -26.763 558.051
  226   2H4     C  21          2H4         C  21-294.139 -25.774 559.494
  227    H5     C  21           H5         C  21-296.164 -24.954 560.565
  228    H6     C  21           H6         C  21-298.582 -24.667 560.303
  229   1H5*    C  22          1H5*        C  22-302.829 -29.064 559.502
  230   2H5*    C  22          2H5*        C  22-303.404 -30.145 560.815
  231    H4*    C  22           H4*        C  22-302.240 -31.461 559.100
  232    H3*    C  22           H3*        C  22-300.859 -31.161 561.788
  233    H2*    C  22           H2*        C  22-298.950 -32.282 561.035
  234   2HO*    C  22          2HO*        C  22-299.143 -34.058 559.898
  235    H1*    C  22           H1*        C  22-299.201 -31.673 558.264
  236   1H4     C  22          1H4         C  22-293.931 -28.551 560.146
  237   2H4     C  22          2H4         C  22-294.826 -27.656 561.353
  238    H5     C  22           H5         C  22-297.173 -27.987 561.775
  239    H6     C  22           H6         C  22-299.191 -29.206 561.092
  240    H3T    C  22           H3T        C  22-301.698 -33.179 562.029
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1-287.668 -29.952 552.250
    2   2H5*    G   1          2H5*        G   1-286.882 -31.355 551.463
    3    H4*    G   1           H4*        G   1-289.004 -32.396 551.007
    4    H3*    G   1           H3*        G   1-290.130 -29.660 551.528
    5    H2*    G   1           H2*        G   1-291.775 -30.372 552.975
    6   2HO*    G   1          2HO*        G   1-292.289 -31.979 551.003
    7    H1*    G   1           H1*        G   1-290.759 -32.998 553.591
    8    H8     G   1           H8         G   1-288.460 -30.549 555.169
    9    H1     G   1           H1         G   1-294.089 -30.666 558.231
   10   1H2     G   1          2H2         G   1-295.586 -31.842 557.034
   11   2H2     G   1          1H2         G   1-295.185 -32.573 555.497
   12    H5T    G   1           H5T        G   1-288.329 -29.226 550.310
   13   1H5*    G   2          1H5*        G   2-293.391 -32.522 548.747
   14   2H5*    G   2          2H5*        G   2-293.815 -31.170 547.647
   15    H4*    G   2           H4*        G   2-295.821 -32.497 548.245
   16    H3*    G   2           H3*        G   2-295.633 -29.625 549.222
   17    H2*    G   2           H2*        G   2-297.678 -29.843 550.433
   18   2HO*    G   2          2HO*        G   2-299.171 -30.875 549.334
   19    H1*    G   2           H1*        G   2-297.294 -32.341 551.422
   20    H8     G   2           H8         G   2-293.900 -30.742 551.537
   21    H1     G   2           H1         G   2-297.764 -28.417 556.073
   22   1H2     G   2          2H2         G   2-299.886 -29.015 555.654
   23   2H2     G   2          1H2         G   2-300.322 -30.003 554.278
   24   1H5*    A   3          1H5*        A   3-299.697 -29.397 547.360
   25   2H5*    A   3          2H5*        A   3-299.608 -27.994 546.241
   26    H4*    A   3           H4*        A   3-301.485 -27.806 547.899
   27    H3*    A   3           H3*        A   3-299.225 -25.767 547.913
   28    H2*    A   3           H2*        A   3-300.189 -24.654 549.796
   29   2HO*    A   3          2HO*        A   3-302.519 -26.284 549.553
   30    H1*    A   3           H1*        A   3-300.921 -26.888 551.202
   31    H8     A   3           H8         A   3-297.574 -27.580 549.527
   32   1H6     A   3          2H6         A   3-294.956 -24.665 554.289
   33   2H6     A   3          1H6         A   3-294.678 -25.666 552.882
   34    H2     A   3           H2         A   3-299.389 -24.008 554.564
   35   1H5*    C   4          1H5*        C   4-302.147 -23.155 548.487
   36   2H5*    C   4          2H5*        C   4-301.962 -21.725 547.418
   37    H4*    C   4           H4*        C   4-301.779 -21.211 549.891
   38    H3*    C   4           H3*        C   4-299.421 -20.661 548.031
   39    H2*    C   4           H2*        C   4-298.173 -19.867 549.854
   40   2HO*    C   4          2HO*        C   4-300.513 -19.691 551.454
   41    H1*    C   4           H1*        C   4-299.319 -21.518 551.834
   42   1H4     C   4          2H4         C   4-293.251 -23.388 551.028
   43   2H4     C   4          1H4         C   4-293.709 -24.344 549.636
   44    H5     C   4           H5         C   4-295.944 -24.330 548.699
   45    H6     C   4           H6         C   4-298.218 -23.411 548.916
   46   1H5*    C   5          1H5*        C   5-300.139 -16.720 550.783
   47   2H5*    C   5          2H5*        C   5-300.157 -15.545 549.429
   48    H4*    C   5           H4*        C   5-298.698 -14.695 551.188
   49    H3*    C   5           H3*        C   5-297.278 -15.735 548.701
   50    H2*    C   5           H2*        C   5-295.184 -15.265 549.659
   51   2HO*    C   5          2HO*        C   5-294.855 -13.555 550.886
   52    H1*    C   5           H1*        C   5-295.879 -15.722 552.346
   53   1H4     C   5          2H4         C   5-292.128 -20.590 550.529
   54   2H4     C   5          1H4         C   5-293.389 -21.227 549.499
   55    H5     C   5           H5         C   5-295.504 -20.116 549.156
   56    H6     C   5           H6         C   5-296.901 -18.202 549.817
   57   1H5*    U   6          1H5*        U   6-296.161 -11.420 550.217
   58   2H5*    U   6          2H5*        U   6-295.706 -10.460 548.770
   59    H4*    U   6           H4*        U   6-294.091 -10.253 550.707
   60    H3*    U   6           H3*        U   6-293.142 -11.350 548.030
   61    H2*    U   6           H2*        U   6-290.957 -11.628 548.921
   62   2HO*    U   6          2HO*        U   6-291.809  -9.801 550.935
   63    H1*    U   6           H1*        U   6-291.698 -12.280 551.518
   64    H3     U   6           H3         U   6-289.572 -16.108 550.286
   65    H5     U   6           H5         U   6-292.922 -16.016 547.737
   66    H6     U   6           H6         U   6-293.429 -13.788 548.574
   67   1H5*    C   7          1H5*        C   7-289.978  -8.948 549.176
   68   2H5*    C   7          2H5*        C   7-289.362  -8.052 547.748
   69    H4*    C   7           H4*        C   7-287.652  -9.590 548.751
   70    H3*    C   7           H3*        C   7-288.654 -10.126 545.919
   71    H2*    C   7           H2*        C   7-287.243 -12.007 545.785
   72   2HO*    C   7          2HO*        C   7-285.297 -12.027 546.635
   73    H1*    C   7           H1*        C   7-287.270 -12.695 548.474
   74   1H4     C   7          2H4         C   7-290.300 -17.282 545.208
   75   2H4     C   7          1H4         C   7-291.641 -16.217 544.850
   76    H5     C   7           H5         C   7-291.648 -13.861 545.435
   77    H6     C   7           H6         C   7-290.488 -12.104 546.703
   78   1H5*    U   8          1H5*        U   8-283.970 -10.250 546.248
   79   2H5*    U   8          2H5*        U   8-283.539  -9.007 545.032
   80    H4*    U   8           H4*        U   8-281.956 -10.728 544.688
   81    H3*    U   8           H3*        U   8-284.265 -11.007 542.720
   82    H2*    U   8           H2*        U   8-283.202 -12.924 541.793
   83   2HO*    U   8          2HO*        U   8-280.873 -11.964 543.115
   84    H1*    U   8           H1*        U   8-282.200 -13.951 544.118
   85    H3     U   8           H3         U   8-285.222 -17.087 542.750
   86    H5     U   8           H5         U   8-287.630 -13.874 544.002
   87    H6     U   8           H6         U   8-285.602 -12.559 544.336
   88   1H5*    C   9          1H5*        C   9-280.715 -11.812 540.605
   89   2H5*    C   9          2H5*        C   9-280.683 -10.855 539.089
   90    H4*    C   9           H4*        C   9-280.252 -13.254 538.657
   91    H3*    C   9           H3*        C   9-282.859 -12.075 537.600
   92    H2*    C   9           H2*        C   9-283.457 -14.186 536.699
   93   2HO*    C   9          2HO*        C   9-281.556 -14.557 535.542
   94    H1*    C   9           H1*        C   9-282.095 -15.776 538.618
   95   1H4     C   9          2H4         C   9-288.373 -16.707 539.500
   96   2H4     C   9          1H4         C   9-288.558 -15.103 540.175
   97    H5     C   9           H5         C   9-286.742 -13.520 540.342
   98    H6     C   9           H6         C   9-284.366 -13.114 539.835
   99   1H5*    G  10          1H5*        G  10-283.764 -12.105 533.006
  100   2H5*    G  10          2H5*        G  10-284.280 -12.244 534.720
  101    H4*    G  10           H4*        G  10-283.507 -14.689 533.104
  102    H3*    G  10           H3*        G  10-286.160 -13.200 533.059
  103    H2*    G  10           H2*        G  10-287.375 -15.206 533.320
  104   2HO*    G  10          2HO*        G  10-286.612 -16.651 531.933
  105    H1*    G  10           H1*        G  10-285.607 -16.521 535.025
  106    H8     G  10           H8         G  10-285.819 -13.131 536.535
  107    H1     G  10           H1         G  10-291.298 -16.348 537.320
  108   1H2     G  10          2H2         G  10-291.246 -18.250 536.116
  109   2H2     G  10          1H2         G  10-289.880 -18.684 535.114
  110   1H5*    A  11          1H5*        A  11-287.593 -11.713 528.800
  111   2H5*    A  11          2H5*        A  11-288.520 -12.040 530.299
  112    H4*    A  11           H4*        A  11-289.958 -12.330 528.326
  113    H3*    A  11           H3*        A  11-289.285 -14.742 529.995
  114    H2*    A  11           H2*        A  11-290.156 -16.283 528.443
  115   2HO*    A  11          2HO*        A  11-291.895 -15.854 527.290
  116    H1*    A  11           H1*        A  11-289.489 -14.999 526.072
  117    H8     A  11           H8         A  11-286.354 -14.447 527.755
  118   1H6     A  11          2H6         A  11-284.861 -20.367 526.978
  119   2H6     A  11          1H6         A  11-284.260 -18.760 527.320
  120    H2     A  11           H2         A  11-289.306 -20.027 526.534
  121   1H5*    A  12          1H5*        A  12-291.581 -16.632 533.031
  122   2H5*    A  12          2H5*        A  12-290.469 -16.420 531.639
  123    H4*    A  12           H4*        A  12-293.179 -17.448 530.970
  124    H3*    A  12           H3*        A  12-291.251 -19.046 532.697
  125    H2*    A  12           H2*        A  12-291.548 -20.955 531.367
  126   2HO*    A  12          2HO*        A  12-293.883 -19.723 530.259
  127    H1*    A  12           H1*        A  12-291.946 -19.646 528.899
  128    H8     A  12           H8         A  12-288.773 -18.173 530.141
  129   1H6     A  12          2H6         A  12-285.923 -23.402 528.479
  130   2H6     A  12          1H6         A  12-285.704 -21.753 529.022
  131    H2     A  12           H2         A  12-290.348 -24.107 528.201
  132   1H5*    A  13          1H5*        A  13-293.875 -22.218 532.196
  133   2H5*    A  13          2H5*        A  13-294.027 -22.977 533.819
  134    H4*    A  13           H4*        A  13-292.768 -24.360 532.049
  135    H3*    A  13           H3*        A  13-291.627 -23.644 534.763
  136    H2*    A  13           H2*        A  13-289.475 -24.440 534.227
  137   2HO*    A  13          2HO*        A  13-289.141 -26.069 532.852
  138    H1*    A  13           H1*        A  13-289.397 -23.730 531.563
  139    H8     A  13           H8         A  13-290.774 -21.384 534.368
  140   1H6     A  13          2H6         A  13-285.424 -18.388 533.832
  141   2H6     A  13          1H6         A  13-287.012 -18.385 534.566
  142    H2     A  13           H2         A  13-285.267 -21.932 531.108
  143   1H5*    G  14          1H5*        G  14-290.034 -27.001 534.951
  144   2H5*    G  14          2H5*        G  14-290.193 -27.787 536.559
  145    H4*    G  14           H4*        G  14-287.865 -26.896 536.037
  146    H3*    G  14           H3*        G  14-289.453 -25.942 538.444
  147    H2*    G  14           H2*        G  14-287.827 -24.361 539.002
  148   2HO*    G  14          2HO*        G  14-286.022 -25.875 537.390
  149    H1*    G  14           H1*        G  14-286.875 -23.800 536.434
  150    H8     G  14           H8         G  14-290.682 -23.581 537.199
  151    H1     G  14           H1         G  14-287.370 -18.236 538.444
  152   1H2     G  14          1H2         G  14-285.185 -18.590 538.034
  153   2H2     G  14          2H2         G  14-284.578 -20.132 537.472
  154   1H5*    A  15          1H5*        A  15-284.993 -27.347 539.129
  155   2H5*    A  15          2H5*        A  15-284.874 -27.977 540.804
  156    H4*    A  15           H4*        A  15-282.980 -26.449 540.169
  157    H3*    A  15           H3*        A  15-284.856 -25.544 542.414
  158    H2*    A  15           H2*        A  15-283.394 -23.671 542.756
  159   2HO*    A  15          2HO*        A  15-281.316 -23.664 542.134
  160    H1*    A  15           H1*        A  15-282.981 -23.156 540.046
  161    H8     A  15           H8         A  15-286.617 -24.043 540.644
  162   1H6     A  15          2H6         A  15-287.477 -18.241 542.536
  163   2H6     A  15          1H6         A  15-288.253 -19.748 542.102
  164    H2     A  15           H2         A  15-283.072 -18.834 541.944
  165   1H5*    G  16          1H5*        G  16-281.300 -24.727 544.104
  166   2H5*    G  16          2H5*        G  16-281.230 -25.377 545.774
  167    H4*    G  16           H4*        G  16-280.838 -22.924 545.713
  168    H3*    G  16           H3*        G  16-283.437 -23.868 547.030
  169    H2*    G  16           H2*        G  16-283.870 -21.617 547.618
  170   2HO*    G  16          2HO*        G  16-282.319 -20.171 548.007
  171    H1*    G  16           H1*        G  16-282.688 -20.467 545.333
  172    H8     G  16           H8         G  16-285.282 -23.123 544.436
  173    H1     G  16           H1         G  16-287.824 -17.445 546.002
  174   1H2     G  16          1H2         G  16-286.224 -16.128 546.895
  175   2H2     G  16          2H2         G  16-284.572 -16.671 547.089
  176   1H5*    U  17          1H5*        U  17-281.407 -21.285 550.166
  177   2H5*    U  17          2H5*        U  17-281.763 -22.126 551.710
  178    H4*    U  17           H4*        U  17-282.469 -19.687 551.638
  179    H3*    U  17           H3*        U  17-284.528 -21.885 552.118
  180    H2*    U  17           H2*        U  17-286.249 -20.263 552.246
  181   2HO*    U  17          2HO*        U  17-285.841 -18.114 552.780
  182    H1*    U  17           H1*        U  17-285.083 -18.390 550.452
  183    H3     U  17           H3         U  17-289.111 -19.139 548.487
  184    H5     U  17           H5         U  17-287.100 -22.807 548.024
  185    H6     U  17           H6         U  17-285.348 -21.974 549.491
  186   1H5*    G  18          1H5*        G  18-283.328 -19.268 556.371
  187   2H5*    G  18          2H5*        G  18-283.934 -20.421 557.606
  188    H4*    G  18           H4*        G  18-284.516 -18.072 558.181
  189    H3*    G  18           H3*        G  18-286.778 -20.000 557.501
  190    H2*    G  18           H2*        G  18-288.382 -18.243 557.805
  191   2HO*    G  18          2HO*        G  18-286.270 -16.617 558.837
  192    H1*    G  18           H1*        G  18-287.009 -16.286 556.510
  193    H8     G  18           H8         G  18-286.449 -19.710 554.872
  194    H1     G  18           H1         G  18-291.947 -16.972 553.140
  195   1H2     G  18          1H2         G  18-292.323 -15.132 554.340
  196   2H2     G  18          2H2         G  18-291.209 -14.576 555.568
  197   1H5*    G  19          1H5*        G  19-288.534 -18.038 560.547
  198   2H5*    G  19          2H5*        G  19-289.360 -19.182 561.656
  199    H4*    G  19           H4*        G  19-290.904 -17.534 560.496
  200    H3*    G  19           H3*        G  19-291.250 -20.538 560.093
  201    H2*    G  19           H2*        G  19-293.051 -20.145 558.642
  202   2HO*    G  19          2HO*        G  19-294.367 -18.402 558.777
  203    H1*    G  19           H1*        G  19-292.159 -17.692 557.587
  204    H8     G  19           H8         G  19-289.447 -20.241 557.061
  205    H1     G  19           H1         G  19-294.384 -21.042 553.051
  206   1H2     G  19          1H2         G  19-296.136 -19.819 553.746
  207   2H2     G  19          2H2         G  19-296.063 -18.815 555.176
  208   1H5*    U  20          1H5*        U  20-295.527 -18.571 561.914
  209   2H5*    U  20          2H5*        U  20-295.974 -19.997 562.907
  210    H4*    U  20           H4*        U  20-297.820 -18.994 561.399
  211    H3*    U  20           H3*        U  20-297.044 -21.938 561.376
  212    H2*    U  20           H2*        U  20-298.603 -22.378 559.642
  213   2HO*    U  20          2HO*        U  20-300.217 -20.938 560.823
  214    H1*    U  20           H1*        U  20-298.246 -20.007 558.212
  215    H3     U  20           H3         U  20-296.751 -23.523 555.617
  216    H5     U  20           H5         U  20-293.545 -22.622 558.176
  217    H6     U  20           H6         U  20-295.018 -21.114 559.406
  218   1H5*    C  21          1H5*        C  21-301.351 -22.575 561.493
  219   2H5*    C  21          2H5*        C  21-301.596 -23.640 562.918
  220    H4*    C  21           H4*        C  21-302.534 -24.628 560.823
  221    H3*    C  21           H3*        C  21-300.231 -26.011 562.244
  222    H2*    C  21           H2*        C  21-300.069 -27.636 560.543
  223   2HO*    C  21          2HO*        C  21-302.585 -26.818 559.495
  224    H1*    C  21           H1*        C  21-300.754 -26.062 558.381
  225   1H4     C  21          1H4         C  21-294.426 -26.622 557.901
  226   2H4     C  21          2H4         C  21-294.176 -25.592 559.293
  227    H5     C  21           H5         C  21-295.997 -24.774 560.685
  228    H6     C  21           H6         C  21-298.432 -24.670 560.940
  229   1H5*    C  22          1H5*        C  22-303.077 -29.078 560.753
  230   2H5*    C  22          2H5*        C  22-303.464 -30.125 562.158
  231    H4*    C  22           H4*        C  22-302.886 -31.499 560.195
  232    H3*    C  22           H3*        C  22-300.979 -31.500 562.553
  233    H2*    C  22           H2*        C  22-299.390 -32.782 561.414
  234   2HO*    C  22          2HO*        C  22-300.002 -34.465 560.283
  235    H1*    C  22           H1*        C  22-300.042 -32.008 558.765
  236   1H4     C  22          1H4         C  22-294.266 -29.449 559.881
  237   2H4     C  22          2H4         C  22-294.877 -28.532 561.238
  238    H5     C  22           H5         C  22-297.158 -28.657 561.998
  239    H6     C  22           H6         C  22-299.364 -29.659 561.602
  240    H3T    C  22           H3T        C  22-301.923 -33.523 562.791
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1-285.406 -28.918 552.971
    2   2H5*    G   1          2H5*        G   1-286.191 -28.422 551.437
    3    H4*    G   1           H4*        G   1-287.124 -30.570 552.080
    4    H3*    G   1           H3*        G   1-288.906 -28.158 552.451
    5    H2*    G   1           H2*        G   1-290.489 -29.305 553.681
    6   2HO*    G   1          2HO*        G   1-290.807 -31.596 553.380
    7    H1*    G   1           H1*        G   1-288.857 -31.498 554.566
    8    H8     G   1           H8         G   1-287.318 -28.695 556.315
    9    H1     G   1           H1         G   1-293.263 -29.585 558.532
   10   1H2     G   1          2H2         G   1-294.372 -31.015 557.194
   11   2H2     G   1          1H2         G   1-293.643 -31.712 555.765
   12    H5T    G   1           H5T        G   1-285.952 -26.904 553.376
   13   1H5*    G   2          1H5*        G   2-291.114 -31.387 548.931
   14   2H5*    G   2          2H5*        G   2-291.725 -29.997 547.976
   15    H4*    G   2           H4*        G   2-293.415 -31.840 548.200
   16    H3*    G   2           H3*        G   2-293.990 -29.084 549.339
   17    H2*    G   2           H2*        G   2-296.046 -29.828 550.290
   18   2HO*    G   2          2HO*        G   2-295.765 -32.285 548.866
   19    H1*    G   2           H1*        G   2-295.208 -32.241 551.222
   20    H8     G   2           H8         G   2-292.167 -30.375 551.979
   21    H1     G   2           H1         G   2-296.973 -28.290 555.648
   22   1H2     G   2          2H2         G   2-298.938 -28.962 554.790
   23   2H2     G   2          1H2         G   2-299.037 -29.932 553.339
   24   1H5*    A   3          1H5*        A   3-297.711 -29.331 546.786
   25   2H5*    A   3          2H5*        A   3-297.584 -27.907 545.698
   26    H4*    A   3           H4*        A   3-299.741 -27.943 546.953
   27    H3*    A   3           H3*        A   3-297.758 -25.693 547.445
   28    H2*    A   3           H2*        A   3-299.151 -24.760 549.148
   29   2HO*    A   3          2HO*        A   3-301.293 -25.111 549.251
   30    H1*    A   3           H1*        A   3-299.903 -27.092 550.349
   31    H8     A   3           H8         A   3-296.295 -27.592 549.363
   32   1H6     A   3          2H6         A   3-294.727 -24.434 554.405
   33   2H6     A   3          1H6         A   3-294.162 -25.462 553.107
   34    H2     A   3           H2         A   3-299.157 -23.929 553.814
   35   1H5*    C   4          1H5*        C   4-300.987 -23.357 547.377
   36   2H5*    C   4          2H5*        C   4-300.756 -21.925 546.317
   37    H4*    C   4           H4*        C   4-301.091 -21.309 548.729
   38    H3*    C   4           H3*        C   4-298.445 -20.677 547.360
   39    H2*    C   4           H2*        C   4-297.557 -19.834 549.350
   40   2HO*    C   4          2HO*        C   4-300.167 -19.682 550.479
   41    H1*    C   4           H1*        C   4-298.952 -21.477 551.149
   42   1H4     C   4          2H4         C   4-292.796 -23.249 551.229
   43   2H4     C   4          1H4         C   4-293.009 -24.169 549.757
   44    H5     C   4           H5         C   4-295.078 -24.175 548.488
   45    H6     C   4           H6         C   4-297.371 -23.293 548.369
   46   1H5*    C   5          1H5*        C   5-300.047 -16.700 549.906
   47   2H5*    C   5          2H5*        C   5-299.870 -15.586 548.513
   48    H4*    C   5           H4*        C   5-298.960 -14.497 550.486
   49    H3*    C   5           H3*        C   5-296.867 -15.484 548.496
   50    H2*    C   5           H2*        C   5-295.143 -14.709 549.907
   51   2HO*    C   5          2HO*        C   5-295.343 -12.930 551.036
   52    H1*    C   5           H1*        C   5-296.318 -15.258 552.335
   53   1H4     C   5          2H4         C   5-291.838 -19.690 551.060
   54   2H4     C   5          1H4         C   5-292.863 -20.427 549.847
   55    H5     C   5           H5         C   5-295.026 -19.562 549.245
   56    H6     C   5           H6         C   5-296.713 -17.832 549.717
   57   1H5*    U   6          1H5*        U   6-295.980 -11.186 549.937
   58   2H5*    U   6          2H5*        U   6-295.276 -10.342 548.518
   59    H4*    U   6           H4*        U   6-293.923 -10.199 550.686
   60    H3*    U   6           H3*        U   6-292.704 -11.319 548.127
   61    H2*    U   6           H2*        U   6-290.639 -11.640 549.282
   62   2HO*    U   6          2HO*        U   6-290.141 -10.571 551.175
   63    H1*    U   6           H1*        U   6-291.717 -12.377 551.722
   64    H3     U   6           H3         U   6-289.503 -16.140 550.369
   65    H5     U   6           H5         U   6-292.811 -15.947 547.771
   66    H6     U   6           H6         U   6-293.337 -13.753 548.692
   67   1H5*    C   7          1H5*        C   7-289.506  -9.107 549.472
   68   2H5*    C   7          2H5*        C   7-288.859  -8.157 548.093
   69    H4*    C   7           H4*        C   7-287.167  -9.741 549.026
   70    H3*    C   7           H3*        C   7-288.195 -10.169 546.191
   71    H2*    C   7           H2*        C   7-286.882 -12.107 545.979
   72   2HO*    C   7          2HO*        C   7-284.962 -12.346 546.917
   73    H1*    C   7           H1*        C   7-286.940 -12.935 548.611
   74   1H4     C   7          2H4         C   7-290.472 -17.044 545.213
   75   2H4     C   7          1H4         C   7-291.741 -15.859 545.001
   76    H5     C   7           H5         C   7-291.508 -13.532 545.702
   77    H6     C   7           H6         C   7-290.176 -11.990 547.062
   78   1H5*    U   8          1H5*        U   8-283.403 -10.538 546.145
   79   2H5*    U   8          2H5*        U   8-283.089  -9.363 544.830
   80    H4*    U   8           H4*        U   8-281.746 -11.283 544.340
   81    H3*    U   8           H3*        U   8-284.291 -11.190 542.676
   82    H2*    U   8           H2*        U   8-283.711 -13.235 541.667
   83   2HO*    U   8          2HO*        U   8-281.683 -13.844 541.286
   84    H1*    U   8           H1*        U   8-282.335 -14.356 543.781
   85    H3     U   8           H3         U   8-285.565 -17.446 542.947
   86    H5     U   8           H5         U   8-287.755 -14.078 544.206
   87    H6     U   8           H6         U   8-285.668 -12.828 544.296
   88   1H5*    C   9          1H5*        C   9-280.546 -12.142 540.205
   89   2H5*    C   9          2H5*        C   9-280.729 -11.276 538.644
   90    H4*    C   9           H4*        C   9-280.120 -13.716 538.397
   91    H3*    C   9           H3*        C   9-282.751 -12.680 537.259
   92    H2*    C   9           H2*        C   9-283.257 -14.856 536.449
   93   2HO*    C   9          2HO*        C   9-280.515 -15.523 536.924
   94    H1*    C   9           H1*        C   9-282.158 -16.295 538.570
   95   1H4     C   9          2H4         C   9-288.541 -16.231 539.355
   96   2H4     C   9          1H4         C   9-288.505 -14.542 539.806
   97    H5     C   9           H5         C   9-286.488 -13.217 539.810
   98    H6     C   9           H6         C   9-284.069 -13.227 539.378
   99   1H5*    G  10          1H5*        G  10-281.521 -15.096 534.174
  100   2H5*    G  10          2H5*        G  10-281.807 -14.262 532.611
  101    H4*    G  10           H4*        G  10-283.086 -16.419 532.856
  102    H3*    G  10           H3*        G  10-284.621 -13.795 532.561
  103    H2*    G  10           H2*        G  10-286.668 -14.983 532.667
  104   2HO*    G  10          2HO*        G  10-286.878 -17.057 532.016
  105    H1*    G  10           H1*        G  10-285.789 -17.016 534.413
  106    H8     G  10           H8         G  10-285.096 -13.428 535.614
  107    H1     G  10           H1         G  10-291.010 -15.486 536.947
  108   1H2     G  10          2H2         G  10-291.340 -17.509 536.019
  109   2H2     G  10          1H2         G  10-290.113 -18.314 535.068
  110   1H5*    A  11          1H5*        A  11-287.130 -16.625 527.933
  111   2H5*    A  11          2H5*        A  11-286.076 -15.312 527.327
  112    H4*    A  11           H4*        A  11-287.605 -13.627 528.210
  113    H3*    A  11           H3*        A  11-288.889 -15.949 529.596
  114    H2*    A  11           H2*        A  11-291.068 -15.363 529.022
  115   2HO*    A  11          2HO*        A  11-291.681 -13.244 528.562
  116    H1*    A  11           H1*        A  11-290.599 -14.149 526.539
  117    H8     A  11           H8         A  11-288.727 -17.014 525.777
  118   1H6     A  11          2H6         A  11-293.752 -20.611 525.851
  119   2H6     A  11          1H6         A  11-292.062 -20.510 525.412
  120    H2     A  11           H2         A  11-294.814 -16.705 527.809
  121   1H5*    A  12          1H5*        A  12-291.571 -15.542 533.319
  122   2H5*    A  12          2H5*        A  12-290.433 -16.739 532.617
  123    H4*    A  12           H4*        A  12-293.348 -16.223 531.824
  124    H3*    A  12           H3*        A  12-291.911 -18.481 533.232
  125    H2*    A  12           H2*        A  12-293.031 -20.142 532.015
  126   2HO*    A  12          2HO*        A  12-294.927 -18.213 531.105
  127    H1*    A  12           H1*        A  12-293.287 -18.826 529.587
  128    H8     A  12           H8         A  12-289.767 -18.161 530.273
  129   1H6     A  12          2H6         A  12-288.437 -24.055 528.984
  130   2H6     A  12          1H6         A  12-287.778 -22.460 529.269
  131    H2     A  12           H2         A  12-292.895 -23.716 529.423
  132   1H5*    A  13          1H5*        A  13-295.307 -20.986 533.231
  133   2H5*    A  13          2H5*        A  13-295.349 -21.498 534.952
  134    H4*    A  13           H4*        A  13-294.673 -23.299 533.219
  135    H3*    A  13           H3*        A  13-293.079 -22.612 535.701
  136    H2*    A  13           H2*        A  13-291.245 -23.945 535.054
  137   2HO*    A  13          2HO*        A  13-291.446 -25.607 533.523
  138    H1*    A  13           H1*        A  13-291.349 -23.544 532.327
  139    H8     A  13           H8         A  13-291.826 -20.610 534.829
  140   1H6     A  13          2H6         A  13-285.975 -19.180 533.579
  141   2H6     A  13          1H6         A  13-287.438 -18.687 534.402
  142    H2     A  13           H2         A  13-286.936 -22.965 531.389
  143   1H5*    G  14          1H5*        G  14-292.173 -26.287 536.053
  144   2H5*    G  14          2H5*        G  14-292.362 -26.877 537.740
  145    H4*    G  14           H4*        G  14-289.943 -26.643 536.945
  146    H3*    G  14           H3*        G  14-291.032 -25.216 539.386
  147    H2*    G  14           H2*        G  14-289.082 -23.978 539.689
  148   2HO*    G  14          2HO*        G  14-287.076 -24.626 538.712
  149    H1*    G  14           H1*        G  14-288.276 -23.730 537.044
  150    H8     G  14           H8         G  14-291.935 -22.873 538.052
  151    H1     G  14           H1         G  14-287.814 -17.991 538.556
  152   1H2     G  14          1H2         G  14-285.728 -18.703 538.111
  153   2H2     G  14          2H2         G  14-285.378 -20.365 537.692
  154   1H5*    A  15          1H5*        A  15-286.914 -27.527 539.706
  155   2H5*    A  15          2H5*        A  15-286.793 -28.169 541.376
  156    H4*    A  15           H4*        A  15-284.639 -27.204 540.640
  157    H3*    A  15           H3*        A  15-286.128 -25.679 542.833
  158    H2*    A  15           H2*        A  15-284.246 -24.183 542.970
  159   2HO*    A  15          2HO*        A  15-282.866 -25.927 541.170
  160    H1*    A  15           H1*        A  15-283.921 -23.886 540.266
  161    H8     A  15           H8         A  15-287.609 -24.258 541.192
  162   1H6     A  15          2H6         A  15-287.618 -18.305 542.734
  163   2H6     A  15          1H6         A  15-288.591 -19.737 542.484
  164    H2     A  15           H2         A  15-283.380 -19.444 541.760
  165   1H5*    G  16          1H5*        G  16-282.485 -25.705 544.396
  166   2H5*    G  16          2H5*        G  16-282.485 -26.140 546.135
  167    H4*    G  16           H4*        G  16-281.543 -23.858 545.669
  168    H3*    G  16           H3*        G  16-284.120 -24.027 547.322
  169    H2*    G  16           H2*        G  16-283.937 -21.666 547.654
  170   2HO*    G  16          2HO*        G  16-282.050 -20.553 547.396
  171    H1*    G  16           H1*        G  16-282.990 -21.092 545.087
  172    H8     G  16           H8         G  16-285.964 -23.313 544.539
  173    H1     G  16           H1         G  16-287.633 -17.382 546.279
  174   1H2     G  16          1H2         G  16-285.832 -16.294 547.093
  175   2H2     G  16          2H2         G  16-284.256 -17.048 547.193
  176   1H5*    U  17          1H5*        U  17-281.639 -21.775 550.290
  177   2H5*    U  17          2H5*        U  17-282.067 -22.575 551.839
  178    H4*    U  17           H4*        U  17-282.552 -20.077 551.748
  179    H3*    U  17           H3*        U  17-284.760 -22.101 552.288
  180    H2*    U  17           H2*        U  17-286.381 -20.384 552.356
  181   2HO*    U  17          2HO*        U  17-284.701 -19.115 553.756
  182    H1*    U  17           H1*        U  17-285.129 -18.627 550.518
  183    H3     U  17           H3         U  17-289.241 -19.323 548.674
  184    H5     U  17           H5         U  17-287.246 -22.983 548.088
  185    H6     U  17           H6         U  17-285.428 -22.157 549.478
  186   1H5*    G  18          1H5*        G  18-283.527 -19.702 557.015
  187   2H5*    G  18          2H5*        G  18-284.572 -20.880 557.874
  188    H4*    G  18           H4*        G  18-284.816 -18.422 558.587
  189    H3*    G  18           H3*        G  18-287.187 -20.104 557.668
  190    H2*    G  18           H2*        G  18-288.641 -18.209 557.979
  191   2HO*    G  18          2HO*        G  18-286.417 -16.885 559.196
  192    H1*    G  18           H1*        G  18-287.049 -16.372 556.796
  193    H8     G  18           H8         G  18-286.393 -19.547 554.898
  194    H1     G  18           H1         G  18-292.039 -16.994 553.380
  195   1H2     G  18          1H2         G  18-292.516 -15.284 554.739
  196   2H2     G  18          2H2         G  18-291.444 -14.793 556.030
  197   1H5*    G  19          1H5*        G  19-289.022 -18.194 561.034
  198   2H5*    G  19          2H5*        G  19-289.884 -19.486 561.937
  199    H4*    G  19           H4*        G  19-291.353 -17.582 561.057
  200    H3*    G  19           H3*        G  19-291.856 -20.495 560.325
  201    H2*    G  19           H2*        G  19-293.615 -19.880 558.902
  202   2HO*    G  19          2HO*        G  19-294.894 -18.176 559.243
  203    H1*    G  19           H1*        G  19-292.619 -17.424 558.042
  204    H8     G  19           H8         G  19-289.947 -20.042 557.535
  205    H1     G  19           H1         G  19-294.655 -20.457 553.209
  206   1H2     G  19          1H2         G  19-296.396 -19.187 553.857
  207   2H2     G  19          2H2         G  19-296.366 -18.244 555.330
  208   1H5*    U  20          1H5*        U  20-296.271 -18.661 562.002
  209   2H5*    U  20          2H5*        U  20-296.707 -20.188 562.832
  210    H4*    U  20           H4*        U  20-298.465 -19.149 561.225
  211    H3*    U  20           H3*        U  20-297.565 -22.055 561.131
  212    H2*    U  20           H2*        U  20-298.929 -22.464 559.233
  213   2HO*    U  20          2HO*        U  20-300.213 -19.943 559.649
  214    H1*    U  20           H1*        U  20-298.570 -20.005 557.967
  215    H3     U  20           H3         U  20-296.659 -23.291 555.332
  216    H5     U  20           H5         U  20-293.785 -22.454 558.289
  217    H6     U  20           H6         U  20-295.444 -21.095 559.440
  218   1H5*    C  21          1H5*        C  21-301.658 -22.844 560.489
  219   2H5*    C  21          2H5*        C  21-302.175 -23.887 561.857
  220    H4*    C  21           H4*        C  21-302.717 -24.949 559.690
  221    H3*    C  21           H3*        C  21-300.583 -26.242 561.429
  222    H2*    C  21           H2*        C  21-300.127 -27.866 559.775
  223   2HO*    C  21          2HO*        C  21-301.577 -28.384 558.143
  224    H1*    C  21           H1*        C  21-300.504 -26.319 557.541
  225   1H4     C  21          1H4         C  21-294.156 -26.566 558.222
  226   2H4     C  21          2H4         C  21-294.216 -25.564 559.655
  227    H5     C  21           H5         C  21-296.306 -24.894 560.718
  228    H6     C  21           H6         C  21-298.735 -24.787 560.437
  229   1H5*    C  22          1H5*        C  22-302.642 -29.518 559.612
  230   2H5*    C  22          2H5*        C  22-303.169 -30.619 560.926
  231    H4*    C  22           H4*        C  22-301.950 -31.899 559.236
  232    H3*    C  22           H3*        C  22-300.554 -31.489 561.901
  233    H2*    C  22           H2*        C  22-298.586 -32.493 561.138
  234   2HO*    C  22          2HO*        C  22-299.236 -34.451 560.464
  235    H1*    C  22           H1*        C  22-298.897 -31.941 558.362
  236   1H4     C  22          1H4         C  22-293.841 -28.440 560.160
  237   2H4     C  22          2H4         C  22-294.777 -27.614 561.384
  238    H5     C  22           H5         C  22-297.094 -28.098 561.827
  239    H6     C  22           H6         C  22-299.031 -29.456 561.174
  240    H3T    C  22           H3T        C  22-302.432 -32.923 561.432
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1-287.680 -30.099 550.605
    2   2H5*    G   1          2H5*        G   1-287.597 -29.825 552.377
    3    H4*    G   1           H4*        G   1-288.878 -32.291 551.123
    4    H3*    G   1           H3*        G   1-290.052 -29.561 551.596
    5    H2*    G   1           H2*        G   1-291.715 -30.280 553.015
    6   2HO*    G   1          2HO*        G   1-292.576 -32.516 552.712
    7    H1*    G   1           H1*        G   1-290.696 -32.899 553.657
    8    H8     G   1           H8         G   1-288.471 -30.411 555.290
    9    H1     G   1           H1         G   1-294.176 -30.638 558.204
   10   1H2     G   1          2H2         G   1-295.623 -31.831 556.957
   11   2H2     G   1          1H2         G   1-295.166 -32.546 555.427
   12    H5T    G   1           H5T        G   1-286.648 -32.193 551.163
   13   1H5*    G   2          1H5*        G   2-293.232 -32.464 548.825
   14   2H5*    G   2          2H5*        G   2-293.639 -31.160 547.662
   15    H4*    G   2           H4*        G   2-295.658 -32.450 548.241
   16    H3*    G   2           H3*        G   2-295.492 -29.574 549.204
   17    H2*    G   2           H2*        G   2-297.551 -29.787 550.387
   18   2HO*    G   2          2HO*        G   2-298.967 -31.528 550.019
   19    H1*    G   2           H1*        G   2-297.185 -32.283 551.394
   20    H8     G   2           H8         G   2-293.798 -30.672 551.542
   21    H1     G   2           H1         G   2-297.722 -28.355 556.030
   22   1H2     G   2          2H2         G   2-299.838 -28.955 555.580
   23   2H2     G   2          1H2         G   2-300.253 -29.945 554.199
   24   1H5*    A   3          1H5*        A   3-299.496 -29.385 547.291
   25   2H5*    A   3          2H5*        A   3-299.431 -27.994 546.157
   26    H4*    A   3           H4*        A   3-301.318 -27.812 547.789
   27    H3*    A   3           H3*        A   3-299.086 -25.742 547.850
   28    H2*    A   3           H2*        A   3-300.101 -24.653 549.719
   29   2HO*    A   3          2HO*        A   3-302.403 -26.312 549.396
   30    H1*    A   3           H1*        A   3-300.824 -26.902 551.105
   31    H8     A   3           H8         A   3-297.441 -27.533 549.471
   32   1H6     A   3          2H6         A   3-294.931 -24.580 554.266
   33   2H6     A   3          1H6         A   3-294.619 -25.570 552.858
   34    H2     A   3           H2         A   3-299.381 -24.010 554.495
   35   1H5*    C   4          1H5*        C   4-302.051 -23.191 548.379
   36   2H5*    C   4          2H5*        C   4-301.896 -21.754 547.314
   37    H4*    C   4           H4*        C   4-301.736 -21.220 549.778
   38    H3*    C   4           H3*        C   4-299.360 -20.671 547.944
   39    H2*    C   4           H2*        C   4-298.125 -19.877 549.773
   40   2HO*    C   4          2HO*        C   4-300.464 -19.687 551.370
   41    H1*    C   4           H1*        C   4-299.288 -21.521 551.753
   42   1H4     C   4          2H4         C   4-293.207 -23.353 550.997
   43   2H4     C   4          1H4         C   4-293.642 -24.315 549.603
   44    H5     C   4           H5         C   4-295.874 -24.325 548.648
   45    H6     C   4           H6         C   4-298.155 -23.412 548.842
   46   1H5*    C   5          1H5*        C   5-300.123 -16.716 550.726
   47   2H5*    C   5          2H5*        C   5-300.122 -15.552 549.362
   48    H4*    C   5           H4*        C   5-298.692 -14.690 551.143
   49    H3*    C   5           H3*        C   5-297.241 -15.726 548.674
   50    H2*    C   5           H2*        C   5-295.156 -15.265 549.658
   51   2HO*    C   5          2HO*        C   5-294.839 -13.535 550.845
   52    H1*    C   5           H1*        C   5-295.881 -15.712 552.338
   53   1H4     C   5          2H4         C   5-292.100 -20.564 550.524
   54   2H4     C   5          1H4         C   5-293.349 -21.196 549.477
   55    H5     C   5           H5         C   5-295.472 -20.099 549.139
   56    H6     C   5           H6         C   5-296.878 -18.191 549.798
   57   1H5*    U   6          1H5*        U   6-296.148 -11.426 550.216
   58   2H5*    U   6          2H5*        U   6-295.700 -10.447 548.780
   59    H4*    U   6           H4*        U   6-294.092 -10.228 550.713
   60    H3*    U   6           H3*        U   6-293.122 -11.330 548.046
   61    H2*    U   6           H2*        U   6-290.938 -11.588 548.947
   62   2HO*    U   6          2HO*        U   6-291.749  -9.918 551.115
   63    H1*    U   6           H1*        U   6-291.687 -12.238 551.543
   64    H3     U   6           H3         U   6-289.545 -16.066 550.335
   65    H5     U   6           H5         U   6-292.882 -15.996 547.772
   66    H6     U   6           H6         U   6-293.399 -13.764 548.594
   67   1H5*    C   7          1H5*        C   7-289.969  -8.919 549.180
   68   2H5*    C   7          2H5*        C   7-289.343  -8.047 547.742
   69    H4*    C   7           H4*        C   7-287.653  -9.593 548.768
   70    H3*    C   7           H3*        C   7-288.653 -10.139 545.937
   71    H2*    C   7           H2*        C   7-287.259 -12.032 545.818
   72   2HO*    C   7          2HO*        C   7-285.800 -11.133 548.083
   73    H1*    C   7           H1*        C   7-287.298 -12.703 548.513
   74   1H4     C   7          2H4         C   7-290.323 -17.283 545.226
   75   2H4     C   7          1H4         C   7-291.656 -16.213 544.853
   76    H5     C   7           H5         C   7-291.664 -13.858 545.448
   77    H6     C   7           H6         C   7-290.510 -12.105 546.727
   78   1H5*    U   8          1H5*        U   8-284.008 -10.317 546.283
   79   2H5*    U   8          2H5*        U   8-283.542  -9.049 545.107
   80    H4*    U   8           H4*        U   8-281.962 -10.753 544.735
   81    H3*    U   8           H3*        U   8-284.264 -11.033 542.759
   82    H2*    U   8           H2*        U   8-283.204 -12.950 541.832
   83   2HO*    U   8          2HO*        U   8-281.036 -13.388 542.101
   84    H1*    U   8           H1*        U   8-282.196 -13.983 544.151
   85    H3     U   8           H3         U   8-285.227 -17.108 542.767
   86    H5     U   8           H5         U   8-287.625 -13.901 544.053
   87    H6     U   8           H6         U   8-285.593 -12.594 544.394
   88   1H5*    C   9          1H5*        C   9-280.721 -11.865 540.636
   89   2H5*    C   9          2H5*        C   9-280.685 -10.899 539.128
   90    H4*    C   9           H4*        C   9-280.281 -13.296 538.670
   91    H3*    C   9           H3*        C   9-282.893 -12.097 537.649
   92    H2*    C   9           H2*        C   9-283.498 -14.196 536.731
   93   2HO*    C   9          2HO*        C   9-280.707 -14.791 536.855
   94    H1*    C   9           H1*        C   9-282.138 -15.808 538.629
   95   1H4     C   9          2H4         C   9-288.422 -16.702 539.534
   96   2H4     C   9          1H4         C   9-288.593 -15.107 540.231
   97    H5     C   9           H5         C   9-286.760 -13.536 540.406
   98    H6     C   9           H6         C   9-284.384 -13.140 539.885
   99   1H5*    G  10          1H5*        G  10-283.811 -12.181 533.053
  100   2H5*    G  10          2H5*        G  10-284.332 -12.313 534.766
  101    H4*    G  10           H4*        G  10-283.551 -14.768 533.171
  102    H3*    G  10           H3*        G  10-286.197 -13.271 533.082
  103    H2*    G  10           H2*        G  10-287.422 -15.269 533.341
  104   2HO*    G  10          2HO*        G  10-286.610 -16.665 531.902
  105    H1*    G  10           H1*        G  10-285.665 -16.594 535.055
  106    H8     G  10           H8         G  10-285.906 -13.222 536.586
  107    H1     G  10           H1         G  10-291.383 -16.469 537.297
  108   1H2     G  10          2H2         G  10-291.318 -18.353 536.065
  109   2H2     G  10          1H2         G  10-289.943 -18.770 535.067
  110   1H5*    A  11          1H5*        A  11-287.554 -11.755 528.834
  111   2H5*    A  11          2H5*        A  11-288.497 -12.054 530.330
  112    H4*    A  11           H4*        A  11-289.930 -12.323 528.354
  113    H3*    A  11           H3*        A  11-289.309 -14.747 530.027
  114    H2*    A  11           H2*        A  11-290.204 -16.274 528.474
  115   2HO*    A  11          2HO*        A  11-291.927 -15.814 527.301
  116    H1*    A  11           H1*        A  11-289.513 -14.996 526.101
  117    H8     A  11           H8         A  11-286.369 -14.515 527.781
  118   1H6     A  11          2H6         A  11-284.981 -20.456 526.951
  119   2H6     A  11          1H6         A  11-284.350 -18.863 527.302
  120    H2     A  11           H2         A  11-289.421 -20.040 526.535
  121   1H5*    A  12          1H5*        A  12-291.658 -16.645 533.005
  122   2H5*    A  12          2H5*        A  12-290.539 -16.474 531.612
  123    H4*    A  12           H4*        A  12-293.268 -17.488 530.974
  124    H3*    A  12           H3*        A  12-291.330 -19.064 532.709
  125    H2*    A  12           H2*        A  12-291.600 -20.986 531.400
  126   2HO*    A  12          2HO*        A  12-293.975 -19.820 530.309
  127    H1*    A  12           H1*        A  12-292.060 -19.723 528.919
  128    H8     A  12           H8         A  12-288.873 -18.222 530.122
  129   1H6     A  12          2H6         A  12-286.020 -23.452 528.485
  130   2H6     A  12          1H6         A  12-285.805 -21.802 529.026
  131    H2     A  12           H2         A  12-290.449 -24.161 528.213
  132   1H5*    A  13          1H5*        A  13-293.951 -22.254 532.226
  133   2H5*    A  13          2H5*        A  13-294.094 -23.008 533.852
  134    H4*    A  13           H4*        A  13-292.842 -24.394 532.080
  135    H3*    A  13           H3*        A  13-291.689 -23.674 534.788
  136    H2*    A  13           H2*        A  13-289.543 -24.484 534.242
  137   2HO*    A  13          2HO*        A  13-290.831 -25.879 532.099
  138    H1*    A  13           H1*        A  13-289.471 -23.771 531.581
  139    H8     A  13           H8         A  13-290.836 -21.411 534.382
  140   1H6     A  13          2H6         A  13-285.483 -18.446 533.839
  141   2H6     A  13          1H6         A  13-287.073 -18.440 534.567
  142    H2     A  13           H2         A  13-285.333 -21.996 531.122
  143   1H5*    G  14          1H5*        G  14-290.139 -27.028 535.020
  144   2H5*    G  14          2H5*        G  14-290.294 -27.785 536.640
  145    H4*    G  14           H4*        G  14-287.971 -26.896 536.089
  146    H3*    G  14           H3*        G  14-289.549 -25.922 538.495
  147    H2*    G  14           H2*        G  14-287.909 -24.346 539.034
  148   2HO*    G  14          2HO*        G  14-285.759 -24.539 538.373
  149    H1*    G  14           H1*        G  14-286.977 -23.803 536.455
  150    H8     G  14           H8         G  14-290.780 -23.560 537.218
  151    H1     G  14           H1         G  14-287.442 -18.237 538.489
  152   1H2     G  14          1H2         G  14-285.256 -18.606 538.093
  153   2H2     G  14          2H2         G  14-284.657 -20.150 537.534
  154   1H5*    A  15          1H5*        A  15-285.102 -27.349 539.135
  155   2H5*    A  15          2H5*        A  15-284.970 -28.006 540.799
  156    H4*    A  15           H4*        A  15-283.063 -26.500 540.184
  157    H3*    A  15           H3*        A  15-284.930 -25.574 542.424
  158    H2*    A  15           H2*        A  15-283.459 -23.711 542.771
  159   2HO*    A  15          2HO*        A  15-281.608 -24.889 540.938
  160    H1*    A  15           H1*        A  15-283.030 -23.196 540.065
  161    H8     A  15           H8         A  15-286.673 -24.062 540.659
  162   1H6     A  15          2H6         A  15-287.498 -18.258 542.562
  163   2H6     A  15          1H6         A  15-288.284 -19.760 542.130
  164    H2     A  15           H2         A  15-283.097 -18.876 541.957
  165   1H5*    G  16          1H5*        G  16-281.376 -24.818 544.147
  166   2H5*    G  16          2H5*        G  16-281.340 -25.459 545.822
  167    H4*    G  16           H4*        G  16-280.914 -23.008 545.741
  168    H3*    G  16           H3*        G  16-283.524 -23.919 547.059
  169    H2*    G  16           H2*        G  16-283.942 -21.657 547.624
  170   2HO*    G  16          2HO*        G  16-281.263 -20.974 546.949
  171    H1*    G  16           H1*        G  16-282.747 -20.534 545.337
  172    H8     G  16           H8         G  16-285.351 -23.169 544.419
  173    H1     G  16           H1         G  16-287.885 -17.496 546.023
  174   1H2     G  16          1H2         G  16-286.293 -16.196 546.934
  175   2H2     G  16          2H2         G  16-284.642 -16.737 547.133
  176   1H5*    U  17          1H5*        U  17-281.456 -21.309 550.137
  177   2H5*    U  17          2H5*        U  17-281.753 -22.143 551.698
  178    H4*    U  17           H4*        U  17-282.467 -19.716 551.668
  179    H3*    U  17           H3*        U  17-284.532 -21.907 552.150
  180    H2*    U  17           H2*        U  17-286.249 -20.282 552.298
  181   2HO*    U  17          2HO*        U  17-284.205 -18.321 552.700
  182    H1*    U  17           H1*        U  17-285.085 -18.395 550.511
  183    H3     U  17           H3         U  17-289.113 -19.094 548.541
  184    H5     U  17           H5         U  17-287.162 -22.798 548.104
  185    H6     U  17           H6         U  17-285.387 -21.979 549.551
  186   1H5*    G  18          1H5*        G  18-283.319 -19.262 556.404
  187   2H5*    G  18          2H5*        G  18-283.936 -20.410 557.639
  188    H4*    G  18           H4*        G  18-284.507 -18.053 558.201
  189    H3*    G  18           H3*        G  18-286.772 -19.985 557.538
  190    H2*    G  18           H2*        G  18-288.375 -18.229 557.846
  191   2HO*    G  18          2HO*        G  18-286.780 -17.385 559.696
  192    H1*    G  18           H1*        G  18-287.009 -16.277 556.534
  193    H8     G  18           H8         G  18-286.447 -19.705 554.905
  194    H1     G  18           H1         G  18-291.935 -16.966 553.150
  195   1H2     G  18          1H2         G  18-292.327 -15.142 554.363
  196   2H2     G  18          2H2         G  18-291.224 -14.591 555.606
  197   1H5*    G  19          1H5*        G  19-288.553 -18.027 560.610
  198   2H5*    G  19          2H5*        G  19-289.387 -19.202 561.681
  199    H4*    G  19           H4*        G  19-290.914 -17.527 560.511
  200    H3*    G  19           H3*        G  19-291.262 -20.533 560.103
  201    H2*    G  19           H2*        G  19-293.057 -20.127 558.644
  202   2HO*    G  19          2HO*        G  19-294.359 -18.365 558.771
  203    H1*    G  19           H1*        G  19-292.146 -17.678 557.599
  204    H8     G  19           H8         G  19-289.446 -20.241 557.074
  205    H1     G  19           H1         G  19-294.383 -21.011 553.056
  206   1H2     G  19          1H2         G  19-296.131 -19.784 553.759
  207   2H2     G  19          2H2         G  19-296.051 -18.782 555.191
  208   1H5*    U  20          1H5*        U  20-295.538 -18.585 561.946
  209   2H5*    U  20          2H5*        U  20-295.987 -20.022 562.921
  210    H4*    U  20           H4*        U  20-297.828 -19.005 561.412
  211    H3*    U  20           H3*        U  20-297.044 -21.949 561.367
  212    H2*    U  20           H2*        U  20-298.599 -22.373 559.626
  213   2HO*    U  20          2HO*        U  20-299.732 -19.781 559.988
  214    H1*    U  20           H1*        U  20-298.239 -19.980 558.221
  215    H3     U  20           H3         U  20-296.780 -23.481 555.589
  216    H5     U  20           H5         U  20-293.544 -22.594 558.117
  217    H6     U  20           H6         U  20-295.010 -21.107 559.383
  218   1H5*    C  21          1H5*        C  21-301.315 -22.563 561.489
  219   2H5*    C  21          2H5*        C  21-301.604 -23.619 562.913
  220    H4*    C  21           H4*        C  21-302.555 -24.601 560.834
  221    H3*    C  21           H3*        C  21-300.257 -26.016 562.226
  222    H2*    C  21           H2*        C  21-300.106 -27.625 560.510
  223   2HO*    C  21          2HO*        C  21-302.613 -26.791 559.458
  224    H1*    C  21           H1*        C  21-300.782 -26.035 558.361
  225   1H4     C  21          1H4         C  21-294.447 -26.587 557.922
  226   2H4     C  21          2H4         C  21-294.207 -25.572 559.326
  227    H5     C  21           H5         C  21-296.041 -24.756 560.703
  228    H6     C  21           H6         C  21-298.477 -24.654 560.939
  229   1H5*    C  22          1H5*        C  22-303.096 -29.061 560.698
  230   2H5*    C  22          2H5*        C  22-303.493 -30.115 562.097
  231    H4*    C  22           H4*        C  22-302.892 -31.482 560.135
  232    H3*    C  22           H3*        C  22-300.997 -31.473 562.505
  233    H2*    C  22           H2*        C  22-299.407 -32.765 561.373
  234   2HO*    C  22          2HO*        C  22-300.624 -34.509 560.792
  235    H1*    C  22           H1*        C  22-300.043 -31.976 558.725
  236   1H4     C  22          1H4         C  22-294.274 -29.416 559.859
  237   2H4     C  22          2H4         C  22-294.890 -28.495 561.212
  238    H5     C  22           H5         C  22-297.172 -28.622 561.968
  239    H6     C  22           H6         C  22-299.377 -29.625 561.566
  240    H3T    C  22           H3T        C  22-302.733 -33.379 561.253
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1-287.624 -30.192 550.540
    2   2H5*    G   1          2H5*        G   1-287.537 -29.929 552.314
    3    H4*    G   1           H4*        G   1-288.867 -32.360 551.040
    4    H3*    G   1           H3*        G   1-289.984 -29.612 551.537
    5    H2*    G   1           H2*        G   1-291.661 -30.305 552.956
    6   2HO*    G   1          2HO*        G   1-291.724 -32.870 551.714
    7    H1*    G   1           H1*        G   1-290.697 -32.949 553.580
    8    H8     G   1           H8         G   1-288.414 -30.493 555.198
    9    H1     G   1           H1         G   1-294.077 -30.680 558.190
   10   1H2     G   1          2H2         G   1-295.548 -31.865 556.968
   11   2H2     G   1          1H2         G   1-295.121 -32.585 555.432
   12    H5T    G   1           H5T        G   1-285.705 -30.945 551.821
   13   1H5*    G   2          1H5*        G   2-293.229 -32.476 548.738
   14   2H5*    G   2          2H5*        G   2-293.624 -31.132 547.615
   15    H4*    G   2           H4*        G   2-295.654 -32.429 548.193
   16    H3*    G   2           H3*        G   2-295.447 -29.555 549.161
   17    H2*    G   2           H2*        G   2-297.508 -29.743 550.344
   18   2HO*    G   2          2HO*        G   2-297.973 -32.271 549.111
   19    H1*    G   2           H1*        G   2-297.168 -32.244 551.350
   20    H8     G   2           H8         G   2-293.767 -30.643 551.485
   21    H1     G   2           H1         G   2-297.666 -28.344 556.003
   22   1H2     G   2          2H2         G   2-299.785 -28.951 555.567
   23   2H2     G   2          1H2         G   2-300.207 -29.937 554.185
   24   1H5*    A   3          1H5*        A   3-299.508 -29.338 547.264
   25   2H5*    A   3          2H5*        A   3-299.411 -27.930 546.153
   26    H4*    A   3           H4*        A   3-301.314 -27.767 547.785
   27    H3*    A   3           H3*        A   3-299.078 -25.699 547.839
   28    H2*    A   3           H2*        A   3-300.089 -24.604 549.706
   29   2HO*    A   3          2HO*        A   3-302.394 -26.263 549.419
   30    H1*    A   3           H1*        A   3-300.812 -26.852 551.099
   31    H8     A   3           H8         A   3-297.434 -27.481 549.460
   32   1H6     A   3          2H6         A   3-294.915 -24.560 554.268
   33   2H6     A   3          1H6         A   3-294.608 -25.549 552.858
   34    H2     A   3           H2         A   3-299.361 -23.974 554.501
   35   1H5*    C   4          1H5*        C   4-302.048 -23.144 548.436
   36   2H5*    C   4          2H5*        C   4-301.888 -21.701 547.379
   37    H4*    C   4           H4*        C   4-301.714 -21.197 549.854
   38    H3*    C   4           H3*        C   4-299.359 -20.615 548.001
   39    H2*    C   4           H2*        C   4-298.117 -19.824 549.829
   40   2HO*    C   4          2HO*        C   4-300.455 -19.671 551.434
   41    H1*    C   4           H1*        C   4-299.253 -21.494 551.800
   42   1H4     C   4          2H4         C   4-293.174 -23.321 551.032
   43   2H4     C   4          1H4         C   4-293.614 -24.277 549.634
   44    H5     C   4           H5         C   4-295.839 -24.262 548.666
   45    H6     C   4           H6         C   4-298.120 -23.353 548.868
   46   1H5*    C   5          1H5*        C   5-300.122 -16.734 550.813
   47   2H5*    C   5          2H5*        C   5-300.156 -15.533 549.483
   48    H4*    C   5           H4*        C   5-298.712 -14.689 551.253
   49    H3*    C   5           H3*        C   5-297.266 -15.680 548.763
   50    H2*    C   5           H2*        C   5-295.181 -15.209 549.741
   51   2HO*    C   5          2HO*        C   5-294.874 -13.502 550.974
   52    H1*    C   5           H1*        C   5-295.887 -15.701 552.418
   53   1H4     C   5          2H4         C   5-292.081 -20.512 550.568
   54   2H4     C   5          1H4         C   5-293.324 -21.142 549.511
   55    H5     C   5           H5         C   5-295.446 -20.043 549.164
   56    H6     C   5           H6         C   5-296.865 -18.151 549.838
   57   1H5*    U   6          1H5*        U   6-296.163 -11.390 550.343
   58   2H5*    U   6          2H5*        U   6-295.737 -10.405 548.905
   59    H4*    U   6           H4*        U   6-294.096 -10.199 550.813
   60    H3*    U   6           H3*        U   6-293.176 -11.284 548.122
   61    H2*    U   6           H2*        U   6-290.978 -11.557 548.981
   62   2HO*    U   6          2HO*        U   6-291.663  -9.999 551.262
   63    H1*    U   6           H1*        U   6-291.682 -12.212 551.590
   64    H3     U   6           H3         U   6-289.563 -16.038 550.345
   65    H5     U   6           H5         U   6-292.945 -15.964 547.840
   66    H6     U   6           H6         U   6-293.434 -13.724 548.658
   67   1H5*    C   7          1H5*        C   7-290.012  -8.869 549.212
   68   2H5*    C   7          2H5*        C   7-289.393  -8.008 547.766
   69    H4*    C   7           H4*        C   7-287.708  -9.566 548.790
   70    H3*    C   7           H3*        C   7-288.715 -10.105 545.960
   71    H2*    C   7           H2*        C   7-287.326 -12.005 545.844
   72   2HO*    C   7          2HO*        C   7-285.582 -12.259 547.436
   73    H1*    C   7           H1*        C   7-287.364 -12.667 548.541
   74   1H4     C   7          2H4         C   7-290.380 -17.261 545.264
   75   2H4     C   7          1H4         C   7-291.717 -16.196 544.895
   76    H5     C   7           H5         C   7-291.727 -13.838 545.480
   77    H6     C   7           H6         C   7-290.579 -12.082 546.760
   78   1H5*    U   8          1H5*        U   8-284.055 -10.307 546.333
   79   2H5*    U   8          2H5*        U   8-283.579  -9.072 545.125
   80    H4*    U   8           H4*        U   8-282.016 -10.815 544.811
   81    H3*    U   8           H3*        U   8-284.296 -11.072 542.807
   82    H2*    U   8           H2*        U   8-283.244 -13.007 541.905
   83   2HO*    U   8          2HO*        U   8-280.927 -12.069 543.260
   84    H1*    U   8           H1*        U   8-282.301 -14.042 544.251
   85    H3     U   8           H3         U   8-285.364 -17.118 542.817
   86    H5     U   8           H5         U   8-287.726 -13.861 544.048
   87    H6     U   8           H6         U   8-285.677 -12.589 544.419
   88   1H5*    C   9          1H5*        C   9-280.726 -11.954 540.743
   89   2H5*    C   9          2H5*        C   9-280.650 -10.973 539.244
   90    H4*    C   9           H4*        C   9-280.247 -13.354 538.754
   91    H3*    C   9           H3*        C   9-282.862 -12.161 537.733
   92    H2*    C   9           H2*        C   9-283.450 -14.254 536.787
   93   2HO*    C   9          2HO*        C   9-281.578 -14.625 535.612
   94    H1*    C   9           H1*        C   9-282.086 -15.878 538.674
   95   1H4     C   9          2H4         C   9-288.364 -16.828 539.540
   96   2H4     C   9          1H4         C   9-288.555 -15.235 540.236
   97    H5     C   9           H5         C   9-286.739 -13.650 540.429
   98    H6     C   9           H6         C   9-284.364 -13.232 539.928
   99   1H5*    G  10          1H5*        G  10-283.762 -12.111 533.128
  100   2H5*    G  10          2H5*        G  10-284.281 -12.278 534.839
  101    H4*    G  10           H4*        G  10-283.494 -14.696 533.189
  102    H3*    G  10           H3*        G  10-286.152 -13.213 533.158
  103    H2*    G  10           H2*        G  10-287.360 -15.228 533.375
  104   2HO*    G  10          2HO*        G  10-286.048 -16.281 531.694
  105    H1*    G  10           H1*        G  10-285.593 -16.570 535.061
  106    H8     G  10           H8         G  10-285.839 -13.206 536.627
  107    H1     G  10           H1         G  10-291.284 -16.499 537.345
  108   1H2     G  10          2H2         G  10-291.198 -18.388 536.122
  109   2H2     G  10          1H2         G  10-289.821 -18.792 535.122
  110   1H5*    A  11          1H5*        A  11-287.535 -11.624 528.905
  111   2H5*    A  11          2H5*        A  11-288.465 -11.953 530.404
  112    H4*    A  11           H4*        A  11-289.911 -12.209 528.438
  113    H3*    A  11           H3*        A  11-289.246 -14.657 530.061
  114    H2*    A  11           H2*        A  11-290.155 -16.160 528.490
  115   2HO*    A  11          2HO*        A  11-291.448 -13.971 527.184
  116    H1*    A  11           H1*        A  11-289.469 -14.848 526.141
  117    H8     A  11           H8         A  11-286.330 -14.350 527.831
  118   1H6     A  11          2H6         A  11-284.889 -20.274 526.974
  119   2H6     A  11          1H6         A  11-284.274 -18.679 527.340
  120    H2     A  11           H2         A  11-289.327 -19.889 526.528
  121   1H5*    A  12          1H5*        A  12-291.594 -16.588 533.097
  122   2H5*    A  12          2H5*        A  12-290.442 -16.384 531.737
  123    H4*    A  12           H4*        A  12-293.159 -17.382 531.024
  124    H3*    A  12           H3*        A  12-291.223 -19.008 532.717
  125    H2*    A  12           H2*        A  12-291.527 -20.893 531.350
  126   2HO*    A  12          2HO*        A  12-293.876 -19.634 530.300
  127    H1*    A  12           H1*        A  12-291.943 -19.537 528.914
  128    H8     A  12           H8         A  12-288.760 -18.096 530.154
  129   1H6     A  12          2H6         A  12-285.936 -23.320 528.433
  130   2H6     A  12          1H6         A  12-285.709 -21.678 528.994
  131    H2     A  12           H2         A  12-290.366 -24.001 528.161
  132   1H5*    A  13          1H5*        A  13-293.842 -22.157 532.141
  133   2H5*    A  13          2H5*        A  13-294.024 -22.946 533.745
  134    H4*    A  13           H4*        A  13-292.763 -24.318 531.976
  135    H3*    A  13           H3*        A  13-291.626 -23.636 534.702
  136    H2*    A  13           H2*        A  13-289.482 -24.460 534.168
  137   2HO*    A  13          2HO*        A  13-290.768 -26.353 532.986
  138    H1*    A  13           H1*        A  13-289.384 -23.724 531.511
  139    H8     A  13           H8         A  13-290.739 -21.380 534.329
  140   1H6     A  13          2H6         A  13-285.371 -18.429 533.810
  141   2H6     A  13          1H6         A  13-286.966 -18.414 534.530
  142    H2     A  13           H2         A  13-285.231 -21.975 531.081
  143   1H5*    G  14          1H5*        G  14-290.077 -27.037 534.861
  144   2H5*    G  14          2H5*        G  14-290.255 -27.822 536.465
  145    H4*    G  14           H4*        G  14-287.908 -26.974 535.940
  146    H3*    G  14           H3*        G  14-289.479 -26.032 538.361
  147    H2*    G  14           H2*        G  14-287.832 -24.478 538.939
  148   2HO*    G  14          2HO*        G  14-286.052 -25.995 537.303
  149    H1*    G  14           H1*        G  14-286.882 -23.880 536.385
  150    H8     G  14           H8         G  14-290.690 -23.659 537.146
  151    H1     G  14           H1         G  14-287.366 -18.333 538.447
  152   1H2     G  14          1H2         G  14-285.182 -18.686 538.028
  153   2H2     G  14          2H2         G  14-284.579 -20.222 537.447
  154   1H5*    A  15          1H5*        A  15-285.011 -27.419 539.098
  155   2H5*    A  15          2H5*        A  15-284.927 -28.030 540.781
  156    H4*    A  15           H4*        A  15-283.061 -26.444 540.163
  157    H3*    A  15           H3*        A  15-284.991 -25.613 542.393
  158    H2*    A  15           H2*        A  15-283.573 -23.715 542.775
  159   2HO*    A  15          2HO*        A  15-281.525 -23.614 541.510
  160    H1*    A  15           H1*        A  15-283.112 -23.184 540.067
  161    H8     A  15           H8         A  15-286.756 -24.054 540.613
  162   1H6     A  15          2H6         A  15-287.613 -18.264 542.555
  163   2H6     A  15          1H6         A  15-288.392 -19.761 542.096
  164    H2     A  15           H2         A  15-283.206 -18.871 542.007
  165   1H5*    G  16          1H5*        G  16-281.430 -24.749 544.118
  166   2H5*    G  16          2H5*        G  16-281.373 -25.411 545.782
  167    H4*    G  16           H4*        G  16-280.986 -22.954 545.737
  168    H3*    G  16           H3*        G  16-283.578 -23.924 547.048
  169    H2*    G  16           H2*        G  16-284.040 -21.678 547.638
  170   2HO*    G  16          2HO*        G  16-281.369 -20.939 546.994
  171    H1*    G  16           H1*        G  16-282.839 -20.502 545.380
  172    H8     G  16           H8         G  16-285.432 -23.147 544.442
  173    H1     G  16           H1         G  16-287.972 -17.474 546.030
  174   1H2     G  16          1H2         G  16-286.380 -16.169 546.942
  175   2H2     G  16          2H2         G  16-284.729 -16.712 547.144
  176   1H5*    U  17          1H5*        U  17-281.473 -21.299 550.139
  177   2H5*    U  17          2H5*        U  17-281.767 -22.143 551.696
  178    H4*    U  17           H4*        U  17-282.458 -19.708 551.685
  179    H3*    U  17           H3*        U  17-284.532 -21.888 552.184
  180    H2*    U  17           H2*        U  17-286.232 -20.252 552.371
  181   2HO*    U  17          2HO*        U  17-284.227 -18.241 552.670
  182    H1*    U  17           H1*        U  17-285.089 -18.363 550.576
  183    H3     U  17           H3         U  17-289.146 -19.045 548.653
  184    H5     U  17           H5         U  17-287.211 -22.752 548.178
  185    H6     U  17           H6         U  17-285.420 -21.944 549.611
  186   1H5*    G  18          1H5*        G  18-283.293 -19.215 556.424
  187   2H5*    G  18          2H5*        G  18-283.900 -20.378 557.651
  188    H4*    G  18           H4*        G  18-284.483 -18.031 558.240
  189    H3*    G  18           H3*        G  18-286.743 -19.958 557.550
  190    H2*    G  18           H2*        G  18-288.348 -18.207 557.881
  191   2HO*    G  18          2HO*        G  18-286.190 -16.710 559.017
  192    H1*    G  18           H1*        G  18-286.988 -16.239 556.590
  193    H8     G  18           H8         G  18-286.429 -19.661 554.945
  194    H1     G  18           H1         G  18-291.927 -16.926 553.212
  195   1H2     G  18          1H2         G  18-292.307 -15.089 554.413
  196   2H2     G  18          2H2         G  18-291.196 -14.531 555.643
  197   1H5*    G  19          1H5*        G  19-288.535 -17.999 560.622
  198   2H5*    G  19          2H5*        G  19-289.360 -19.176 561.697
  199    H4*    G  19           H4*        G  19-290.900 -17.507 560.539
  200    H3*    G  19           H3*        G  19-291.235 -20.511 560.129
  201    H2*    G  19           H2*        G  19-293.034 -20.120 558.671
  202   2HO*    G  19          2HO*        G  19-294.348 -18.369 558.801
  203    H1*    G  19           H1*        G  19-292.141 -17.665 557.623
  204    H8     G  19           H8         G  19-289.420 -20.206 557.110
  205    H1     G  19           H1         G  19-294.334 -21.011 553.070
  206   1H2     G  19          1H2         G  19-296.096 -19.804 553.769
  207   2H2     G  19          2H2         G  19-296.032 -18.805 555.203
  208   1H5*    U  20          1H5*        U  20-295.530 -18.566 561.952
  209   2H5*    U  20          2H5*        U  20-295.975 -20.008 562.921
  210    H4*    U  20           H4*        U  20-297.815 -18.988 561.413
  211    H3*    U  20           H3*        U  20-297.035 -21.932 561.366
  212    H2*    U  20           H2*        U  20-298.590 -22.354 559.623
  213   2HO*    U  20          2HO*        U  20-300.386 -21.187 559.340
  214    H1*    U  20           H1*        U  20-298.224 -19.963 558.220
  215    H3     U  20           H3         U  20-296.742 -23.445 555.580
  216    H5     U  20           H5         U  20-293.528 -22.578 558.142
  217    H6     U  20           H6         U  20-295.002 -21.095 559.402
  218   1H5*    C  21          1H5*        C  21-301.310 -22.567 561.463
  219   2H5*    C  21          2H5*        C  21-301.586 -23.633 562.880
  220    H4*    C  21           H4*        C  21-302.507 -24.615 560.781
  221    H3*    C  21           H3*        C  21-300.212 -26.011 562.202
  222    H2*    C  21           H2*        C  21-300.038 -27.622 560.489
  223   2HO*    C  21          2HO*        C  21-302.594 -26.795 559.533
  224    H1*    C  21           H1*        C  21-300.713 -26.030 558.333
  225   1H4     C  21          1H4         C  21-294.384 -26.568 557.877
  226   2H4     C  21          2H4         C  21-294.141 -25.554 559.281
  227    H5     C  21           H5         C  21-295.972 -24.757 560.676
  228    H6     C  21           H6         C  21-298.407 -24.658 560.918
  229   1H5*    C  22          1H5*        C  22-303.077 -29.055 560.660
  230   2H5*    C  22          2H5*        C  22-303.472 -30.116 562.053
  231    H4*    C  22           H4*        C  22-302.899 -31.465 560.066
  232    H3*    C  22           H3*        C  22-301.010 -31.518 562.438
  233    H2*    C  22           H2*        C  22-299.422 -32.794 561.291
  234   2HO*    C  22          2HO*        C  22-300.655 -34.526 560.697
  235    H1*    C  22           H1*        C  22-300.047 -31.980 558.650
  236   1H4     C  22          1H4         C  22-294.261 -29.474 559.841
  237   2H4     C  22          2H4         C  22-294.878 -28.569 561.204
  238    H5     C  22           H5         C  22-297.163 -28.691 561.948
  239    H6     C  22           H6         C  22-299.374 -29.673 561.523
  240    H3T    C  22           H3T        C  22-302.760 -33.379 561.136
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1-287.718 -30.238 550.470
    2   2H5*    G   1          2H5*        G   1-287.617 -29.987 552.246
    3    H4*    G   1           H4*        G   1-288.978 -32.396 550.962
    4    H3*    G   1           H3*        G   1-290.065 -29.644 551.506
    5    H2*    G   1           H2*        G   1-291.747 -30.345 552.915
    6   2HO*    G   1          2HO*        G   1-291.813 -32.898 551.652
    7    H1*    G   1           H1*        G   1-290.787 -32.985 553.534
    8    H8     G   1           H8         G   1-288.459 -30.542 555.111
    9    H1     G   1           H1         G   1-294.086 -30.671 558.177
   10   1H2     G   1          2H2         G   1-295.581 -31.856 556.982
   11   2H2     G   1          1H2         G   1-295.177 -32.587 555.445
   12    H5T    G   1           H5T        G   1-286.385 -31.785 552.425
   13   1H5*    G   2          1H5*        G   2-293.320 -32.527 548.785
   14   2H5*    G   2          2H5*        G   2-293.726 -31.208 547.640
   15    H4*    G   2           H4*        G   2-295.745 -32.511 548.216
   16    H3*    G   2           H3*        G   2-295.572 -29.634 549.188
   17    H2*    G   2           H2*        G   2-297.656 -29.847 550.337
   18   2HO*    G   2          2HO*        G   2-299.076 -30.877 549.119
   19    H1*    G   2           H1*        G   2-297.278 -32.328 551.371
   20    H8     G   2           H8         G   2-293.893 -30.697 551.500
   21    H1     G   2           H1         G   2-297.823 -28.371 555.977
   22   1H2     G   2          2H2         G   2-299.939 -28.979 555.534
   23   2H2     G   2          1H2         G   2-300.353 -29.975 554.156
   24   1H5*    A   3          1H5*        A   3-299.550 -29.393 547.279
   25   2H5*    A   3          2H5*        A   3-299.470 -27.986 546.164
   26    H4*    A   3           H4*        A   3-301.345 -27.809 547.820
   27    H3*    A   3           H3*        A   3-299.088 -25.765 547.864
   28    H2*    A   3           H2*        A   3-300.076 -24.668 549.744
   29   2HO*    A   3          2HO*        A   3-302.394 -26.309 549.455
   30    H1*    A   3           H1*        A   3-300.805 -26.915 551.131
   31    H8     A   3           H8         A   3-297.445 -27.576 549.472
   32   1H6     A   3          2H6         A   3-294.855 -24.655 554.243
   33   2H6     A   3          1H6         A   3-294.571 -25.652 552.833
   34    H2     A   3           H2         A   3-299.298 -24.026 554.512
   35   1H5*    C   4          1H5*        C   4-302.030 -23.202 548.447
   36   2H5*    C   4          2H5*        C   4-301.884 -21.759 547.390
   37    H4*    C   4           H4*        C   4-301.713 -21.243 549.855
   38    H3*    C   4           H3*        C   4-299.344 -20.669 548.017
   39    H2*    C   4           H2*        C   4-298.121 -19.862 549.849
   40   2HO*    C   4          2HO*        C   4-299.013 -18.787 551.467
   41    H1*    C   4           H1*        C   4-299.263 -21.527 551.820
   42   1H4     C   4          2H4         C   4-293.175 -23.341 551.074
   43   2H4     C   4          1H4         C   4-293.608 -24.302 549.679
   44    H5     C   4           H5         C   4-295.833 -24.303 548.711
   45    H6     C   4           H6         C   4-298.117 -23.402 548.905
   46   1H5*    C   5          1H5*        C   5-300.116 -16.749 550.758
   47   2H5*    C   5          2H5*        C   5-300.139 -15.568 549.411
   48    H4*    C   5           H4*        C   5-298.708 -14.701 551.178
   49    H3*    C   5           H3*        C   5-297.243 -15.726 548.711
   50    H2*    C   5           H2*        C   5-295.167 -15.233 549.699
   51   2HO*    C   5          2HO*        C   5-294.887 -13.493 550.876
   52    H1*    C   5           H1*        C   5-295.887 -15.706 552.373
   53   1H4     C   5          2H4         C   5-292.077 -20.525 550.568
   54   2H4     C   5          1H4         C   5-293.327 -21.179 549.534
   55    H5     C   5           H5         C   5-295.461 -20.098 549.194
   56    H6     C   5           H6         C   5-296.874 -18.191 549.839
   57   1H5*    U   6          1H5*        U   6-296.166 -11.425 550.253
   58   2H5*    U   6          2H5*        U   6-295.740 -10.446 548.810
   59    H4*    U   6           H4*        U   6-294.112 -10.207 550.721
   60    H3*    U   6           H3*        U   6-293.165 -11.319 548.050
   61    H2*    U   6           H2*        U   6-290.974 -11.571 548.929
   62   2HO*    U   6          2HO*        U   6-291.823  -9.732 550.934
   63    H1*    U   6           H1*        U   6-291.691 -12.197 551.540
   64    H3     U   6           H3         U   6-289.527 -16.017 550.341
   65    H5     U   6           H5         U   6-292.893 -15.993 547.814
   66    H6     U   6           H6         U   6-293.415 -13.756 548.618
   67   1H5*    C   7          1H5*        C   7-290.002  -8.899 549.143
   68   2H5*    C   7          2H5*        C   7-289.391  -8.036 547.694
   69    H4*    C   7           H4*        C   7-287.693  -9.580 548.724
   70    H3*    C   7           H3*        C   7-288.699 -10.130 545.896
   71    H2*    C   7           H2*        C   7-287.297 -12.022 545.780
   72   2HO*    C   7          2HO*        C   7-285.837 -11.093 548.034
   73    H1*    C   7           H1*        C   7-287.324 -12.677 548.481
   74   1H4     C   7          2H4         C   7-290.319 -17.309 545.240
   75   2H4     C   7          1H4         C   7-291.669 -16.257 544.878
   76    H5     C   7           H5         C   7-291.688 -13.892 545.443
   77    H6     C   7           H6         C   7-290.548 -12.123 546.712
   78   1H5*    U   8          1H5*        U   8-284.038 -10.270 546.267
   79   2H5*    U   8          2H5*        U   8-283.580  -9.021 545.066
   80    H4*    U   8           H4*        U   8-281.987 -10.732 544.744
   81    H3*    U   8           H3*        U   8-284.263 -11.018 542.740
   82    H2*    U   8           H2*        U   8-283.192 -12.941 541.836
   83   2HO*    U   8          2HO*        U   8-280.865 -12.140 543.275
   84    H1*    U   8           H1*        U   8-282.217 -13.961 544.175
   85    H3     U   8           H3         U   8-285.219 -17.093 542.753
   86    H5     U   8           H5         U   8-287.643 -13.890 543.999
   87    H6     U   8           H6         U   8-285.619 -12.574 544.364
   88   1H5*    C   9          1H5*        C   9-280.716 -11.861 540.663
   89   2H5*    C   9          2H5*        C   9-280.657 -10.896 539.154
   90    H4*    C   9           H4*        C   9-280.267 -13.294 538.702
   91    H3*    C   9           H3*        C   9-282.857 -12.069 537.660
   92    H2*    C   9           H2*        C   9-283.486 -14.163 536.742
   93   2HO*    C   9          2HO*        C   9-282.053 -15.548 535.940
   94    H1*    C   9           H1*        C   9-282.134 -15.791 538.640
   95   1H4     C   9          2H4         C   9-288.411 -16.695 539.532
   96   2H4     C   9          1H4         C   9-288.589 -15.097 540.221
   97    H5     C   9           H5         C   9-286.767 -13.518 540.386
   98    H6     C   9           H6         C   9-284.386 -13.121 539.889
   99   1H5*    G  10          1H5*        G  10-283.742 -12.096 533.052
  100   2H5*    G  10          2H5*        G  10-284.266 -12.211 534.766
  101    H4*    G  10           H4*        G  10-283.518 -14.682 533.177
  102    H3*    G  10           H3*        G  10-286.149 -13.155 533.103
  103    H2*    G  10           H2*        G  10-287.395 -15.135 533.377
  104   2HO*    G  10          2HO*        G  10-285.010 -16.467 532.539
  105    H1*    G  10           H1*        G  10-285.642 -16.478 535.082
  106    H8     G  10           H8         G  10-285.844 -13.079 536.584
  107    H1     G  10           H1         G  10-291.323 -16.300 537.384
  108   1H2     G  10          2H2         G  10-291.265 -18.208 536.191
  109   2H2     G  10          1H2         G  10-289.898 -18.644 535.190
  110   1H5*    A  11          1H5*        A  11-287.491 -11.665 528.789
  111   2H5*    A  11          2H5*        A  11-288.434 -11.949 530.289
  112    H4*    A  11           H4*        A  11-289.866 -12.236 528.312
  113    H3*    A  11           H3*        A  11-289.253 -14.644 530.014
  114    H2*    A  11           H2*        A  11-290.177 -16.176 528.483
  115   2HO*    A  11          2HO*        A  11-291.420 -14.040 527.058
  116    H1*    A  11           H1*        A  11-289.474 -14.924 526.097
  117    H8     A  11           H8         A  11-286.328 -14.474 527.776
  118   1H6     A  11          2H6         A  11-285.004 -20.432 526.984
  119   2H6     A  11          1H6         A  11-284.357 -18.845 527.337
  120    H2     A  11           H2         A  11-289.430 -19.970 526.559
  121   1H5*    A  12          1H5*        A  12-291.746 -16.529 533.012
  122   2H5*    A  12          2H5*        A  12-290.532 -16.437 531.694
  123    H4*    A  12           H4*        A  12-293.262 -17.452 530.991
  124    H3*    A  12           H3*        A  12-291.298 -18.991 532.732
  125    H2*    A  12           H2*        A  12-291.571 -20.929 531.430
  126   2HO*    A  12          2HO*        A  12-293.446 -20.917 529.851
  127    H1*    A  12           H1*        A  12-292.032 -19.667 528.947
  128    H8     A  12           H8         A  12-288.855 -18.141 530.153
  129   1H6     A  12          2H6         A  12-285.961 -23.350 528.516
  130   2H6     A  12          1H6         A  12-285.758 -21.695 529.046
  131    H2     A  12           H2         A  12-290.383 -24.098 528.242
  132   1H5*    A  13          1H5*        A  13-293.915 -22.218 532.223
  133   2H5*    A  13          2H5*        A  13-294.069 -22.963 533.852
  134    H4*    A  13           H4*        A  13-292.800 -24.358 532.096
  135    H3*    A  13           H3*        A  13-291.680 -23.621 534.813
  136    H2*    A  13           H2*        A  13-289.524 -24.418 534.302
  137   2HO*    A  13          2HO*        A  13-289.165 -26.038 532.906
  138    H1*    A  13           H1*        A  13-289.425 -23.727 531.632
  139    H8     A  13           H8         A  13-290.820 -21.364 534.416
  140   1H6     A  13          2H6         A  13-285.489 -18.346 533.871
  141   2H6     A  13          1H6         A  13-287.080 -18.350 534.599
  142    H2     A  13           H2         A  13-285.302 -21.910 531.170
  143   1H5*    G  14          1H5*        G  14-290.137 -26.999 535.035
  144   2H5*    G  14          2H5*        G  14-290.301 -27.772 536.647
  145    H4*    G  14           H4*        G  14-287.968 -26.904 536.117
  146    H3*    G  14           H3*        G  14-289.549 -25.915 538.518
  147    H2*    G  14           H2*        G  14-287.891 -24.355 539.063
  148   2HO*    G  14          2HO*        G  14-285.792 -24.692 538.722
  149    H1*    G  14           H1*        G  14-286.956 -23.808 536.489
  150    H8     G  14           H8         G  14-290.762 -23.569 537.266
  151    H1     G  14           H1         G  14-287.426 -18.228 538.477
  152   1H2     G  14          1H2         G  14-285.243 -18.590 538.053
  153   2H2     G  14          2H2         G  14-284.645 -20.134 537.491
  154   1H5*    A  15          1H5*        A  15-285.122 -27.375 539.180
  155   2H5*    A  15          2H5*        A  15-284.987 -28.004 540.853
  156    H4*    A  15           H4*        A  15-283.081 -26.505 540.199
  157    H3*    A  15           H3*        A  15-284.929 -25.560 542.450
  158    H2*    A  15           H2*        A  15-283.429 -23.715 542.780
  159   2HO*    A  15          2HO*        A  15-281.619 -24.928 540.928
  160    H1*    A  15           H1*        A  15-283.028 -23.214 540.064
  161    H8     A  15           H8         A  15-286.671 -24.033 540.691
  162   1H6     A  15          2H6         A  15-287.427 -18.220 542.592
  163   2H6     A  15          1H6         A  15-288.229 -19.713 542.157
  164    H2     A  15           H2         A  15-283.037 -18.878 541.965
  165   1H5*    G  16          1H5*        G  16-281.385 -24.827 544.165
  166   2H5*    G  16          2H5*        G  16-281.344 -25.464 545.840
  167    H4*    G  16           H4*        G  16-280.916 -23.011 545.751
  168    H3*    G  16           H3*        G  16-283.514 -23.929 547.087
  169    H2*    G  16           H2*        G  16-283.952 -21.671 547.640
  170   2HO*    G  16          2HO*        G  16-282.358 -20.502 548.359
  171    H1*    G  16           H1*        G  16-282.756 -20.541 545.352
  172    H8     G  16           H8         G  16-285.346 -23.186 544.438
  173    H1     G  16           H1         G  16-287.907 -17.525 546.048
  174   1H2     G  16          1H2         G  16-286.307 -16.209 546.944
  175   2H2     G  16          2H2         G  16-284.653 -16.746 547.130
  176   1H5*    U  17          1H5*        U  17-281.426 -21.295 550.154
  177   2H5*    U  17          2H5*        U  17-281.724 -22.125 551.718
  178    H4*    U  17           H4*        U  17-282.424 -19.696 551.687
  179    H3*    U  17           H3*        U  17-284.491 -21.881 552.182
  180    H2*    U  17           H2*        U  17-286.203 -20.251 552.345
  181   2HO*    U  17          2HO*        U  17-284.226 -18.212 552.624
  182    H1*    U  17           H1*        U  17-285.058 -18.370 550.547
  183    H3     U  17           H3         U  17-289.104 -19.098 548.607
  184    H5     U  17           H5         U  17-287.126 -22.785 548.153
  185    H6     U  17           H6         U  17-285.351 -21.955 549.592
  186   1H5*    G  18          1H5*        G  18-283.294 -19.165 556.407
  187   2H5*    G  18          2H5*        G  18-283.897 -20.324 557.637
  188    H4*    G  18           H4*        G  18-284.494 -17.978 558.213
  189    H3*    G  18           H3*        G  18-286.739 -19.923 557.532
  190    H2*    G  18           H2*        G  18-288.358 -18.181 557.839
  191   2HO*    G  18          2HO*        G  18-286.226 -16.635 558.959
  192    H1*    G  18           H1*        G  18-287.002 -16.208 556.549
  193    H8     G  18           H8         G  18-286.418 -19.627 554.909
  194    H1     G  18           H1         G  18-291.949 -16.940 553.195
  195   1H2     G  18          1H2         G  18-292.340 -15.105 554.400
  196   2H2     G  18          2H2         G  18-291.227 -14.539 555.626
  197   1H5*    G  19          1H5*        G  19-288.534 -17.939 560.576
  198   2H5*    G  19          2H5*        G  19-289.352 -19.098 561.676
  199    H4*    G  19           H4*        G  19-290.906 -17.459 560.506
  200    H3*    G  19           H3*        G  19-291.216 -20.470 560.120
  201    H2*    G  19           H2*        G  19-293.019 -20.105 558.661
  202   2HO*    G  19          2HO*        G  19-293.226 -17.421 559.590
  203    H1*    G  19           H1*        G  19-292.150 -17.650 557.595
  204    H8     G  19           H8         G  19-289.414 -20.185 557.101
  205    H1     G  19           H1         G  19-294.310 -21.018 553.048
  206   1H2     G  19          1H2         G  19-296.077 -19.809 553.731
  207   2H2     G  19          2H2         G  19-296.020 -18.797 555.158
  208   1H5*    U  20          1H5*        U  20-295.527 -18.530 561.869
  209   2H5*    U  20          2H5*        U  20-295.968 -19.950 562.873
  210    H4*    U  20           H4*        U  20-297.810 -18.991 561.340
  211    H3*    U  20           H3*        U  20-296.986 -21.925 561.325
  212    H2*    U  20           H2*        U  20-298.549 -22.381 559.594
  213   2HO*    U  20          2HO*        U  20-300.169 -20.942 560.773
  214    H1*    U  20           H1*        U  20-298.197 -20.013 558.158
  215    H3     U  20           H3         U  20-296.658 -23.528 555.585
  216    H5     U  20           H5         U  20-293.478 -22.600 558.170
  217    H6     U  20           H6         U  20-294.973 -21.103 559.386
  218   1H5*    C  21          1H5*        C  21-301.327 -22.557 561.461
  219   2H5*    C  21          2H5*        C  21-301.559 -23.635 562.877
  220    H4*    C  21           H4*        C  21-302.540 -24.583 560.779
  221    H3*    C  21           H3*        C  21-300.254 -26.017 562.176
  222    H2*    C  21           H2*        C  21-300.130 -27.634 560.465
  223   2HO*    C  21          2HO*        C  21-302.627 -26.761 559.417
  224    H1*    C  21           H1*        C  21-300.780 -26.037 558.314
  225   1H4     C  21          1H4         C  21-294.451 -26.668 557.881
  226   2H4     C  21          2H4         C  21-294.202 -25.660 559.289
  227    H5     C  21           H5         C  21-296.024 -24.835 560.671
  228    H6     C  21           H6         C  21-298.458 -24.691 560.899
  229   1H5*    C  22          1H5*        C  22-303.096 -29.027 560.673
  230   2H5*    C  22          2H5*        C  22-303.512 -30.085 562.062
  231    H4*    C  22           H4*        C  22-302.916 -31.450 560.103
  232    H3*    C  22           H3*        C  22-301.017 -31.467 562.471
  233    H2*    C  22           H2*        C  22-299.435 -32.757 561.329
  234   2HO*    C  22          2HO*        C  22-300.026 -34.396 560.109
  235    H1*    C  22           H1*        C  22-300.070 -31.959 558.685
  236   1H4     C  22          1H4         C  22-294.279 -29.452 559.837
  237   2H4     C  22          2H4         C  22-294.891 -28.527 561.188
  238    H5     C  22           H5         C  22-297.175 -28.640 561.942
  239    H6     C  22           H6         C  22-299.385 -29.629 561.540
  240    H3T    C  22           H3T        C  22-303.122 -32.525 562.426
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1-288.020 -30.956 550.384
    2   2H5*    G   1          2H5*        G   1-287.834 -30.681 552.149
    3    H4*    G   1           H4*        G   1-289.442 -32.993 550.979
    4    H3*    G   1           H3*        G   1-290.278 -30.139 551.474
    5    H2*    G   1           H2*        G   1-292.007 -30.680 552.903
    6   2HO*    G   1          2HO*        G   1-292.247 -33.261 551.718
    7    H1*    G   1           H1*        G   1-291.222 -33.354 553.598
    8    H8     G   1           H8         G   1-288.719 -30.961 555.018
    9    H1     G   1           H1         G   1-294.252 -30.766 558.251
   10   1H2     G   1          2H2         G   1-295.831 -31.915 557.133
   11   2H2     G   1          1H2         G   1-295.504 -32.708 555.609
   12    H5T    G   1           H5T        G   1-286.140 -31.886 551.652
   13   1H5*    G   2          1H5*        G   2-293.745 -32.728 548.631
   14   2H5*    G   2          2H5*        G   2-294.158 -31.311 547.611
   15    H4*    G   2           H4*        G   2-296.173 -32.651 548.252
   16    H3*    G   2           H3*        G   2-295.911 -29.768 549.178
   17    H2*    G   2           H2*        G   2-297.937 -29.929 550.430
   18   2HO*    G   2          2HO*        G   2-299.462 -30.948 549.356
   19    H1*    G   2           H1*        G   2-297.572 -32.419 551.457
   20    H8     G   2           H8         G   2-294.150 -30.887 551.475
   21    H1     G   2           H1         G   2-297.869 -28.430 556.065
   22   1H2     G   2          2H2         G   2-300.016 -28.975 555.684
   23   2H2     G   2          1H2         G   2-300.500 -29.961 554.321
   24   1H5*    A   3          1H5*        A   3-299.944 -29.370 547.245
   25   2H5*    A   3          2H5*        A   3-299.788 -27.945 546.164
   26    H4*    A   3           H4*        A   3-301.642 -27.726 547.859
   27    H3*    A   3           H3*        A   3-299.315 -25.764 547.857
   28    H2*    A   3           H2*        A   3-300.204 -24.650 549.775
   29   2HO*    A   3          2HO*        A   3-302.594 -26.192 549.540
   30    H1*    A   3           H1*        A   3-300.987 -26.882 551.163
   31    H8     A   3           H8         A   3-297.698 -27.694 549.453
   32   1H6     A   3          2H6         A   3-294.910 -24.864 554.171
   33   2H6     A   3          1H6         A   3-294.687 -25.882 552.765
   34    H2     A   3           H2         A   3-299.310 -24.028 554.492
   35   1H5*    C   4          1H5*        C   4-302.213 -23.114 548.674
   36   2H5*    C   4          2H5*        C   4-302.077 -21.680 547.603
   37    H4*    C   4           H4*        C   4-301.829 -21.151 550.061
   38    H3*    C   4           H3*        C   4-299.504 -20.616 548.153
   39    H2*    C   4           H2*        C   4-298.228 -19.802 549.950
   40   2HO*    C   4          2HO*        C   4-300.570 -19.613 551.554
   41    H1*    C   4           H1*        C   4-299.329 -21.448 551.954
   42   1H4     C   4          2H4         C   4-293.285 -23.345 551.045
   43   2H4     C   4          1H4         C   4-293.767 -24.293 549.654
   44    H5     C   4           H5         C   4-296.014 -24.258 548.743
   45    H6     C   4           H6         C   4-298.280 -23.326 548.996
   46   1H5*    C   5          1H5*        C   5-299.990 -16.884 550.946
   47   2H5*    C   5          2H5*        C   5-300.109 -15.604 549.698
   48    H4*    C   5           H4*        C   5-298.524 -14.852 551.357
   49    H3*    C   5           H3*        C   5-297.229 -15.845 548.782
   50    H2*    C   5           H2*        C   5-295.089 -15.419 549.670
   51   2HO*    C   5          2HO*        C   5-296.397 -13.709 551.549
   52    H1*    C   5           H1*        C   5-295.713 -15.899 552.380
   53   1H4     C   5          2H4         C   5-291.930 -20.695 550.461
   54   2H4     C   5          1H4         C   5-293.186 -21.328 549.421
   55    H5     C   5           H5         C   5-295.322 -20.246 549.118
   56    H6     C   5           H6         C   5-296.740 -18.362 549.817
   57   1H5*    U   6          1H5*        U   6-296.082 -11.571 550.371
   58   2H5*    U   6          2H5*        U   6-295.708 -10.556 548.940
   59    H4*    U   6           H4*        U   6-294.027 -10.331 550.797
   60    H3*    U   6           H3*        U   6-293.139 -11.426 548.098
   61    H2*    U   6           H2*        U   6-290.923 -11.648 548.925
   62   2HO*    U   6          2HO*        U   6-290.141 -10.458 550.613
   63    H1*    U   6           H1*        U   6-291.576 -12.294 551.547
   64    H3     U   6           H3         U   6-289.398 -16.088 550.321
   65    H5     U   6           H5         U   6-292.794 -16.099 547.831
   66    H6     U   6           H6         U   6-293.328 -13.867 548.642
   67   1H5*    C   7          1H5*        C   7-290.028  -8.900 549.157
   68   2H5*    C   7          2H5*        C   7-289.453  -8.011 547.708
   69    H4*    C   7           H4*        C   7-287.688  -9.476 548.734
   70    H3*    C   7           H3*        C   7-288.672 -10.088 545.911
   71    H2*    C   7           H2*        C   7-287.192 -11.917 545.807
   72   2HO*    C   7          2HO*        C   7-285.276 -11.962 546.807
   73    H1*    C   7           H1*        C   7-287.202 -12.570 548.504
   74   1H4     C   7          2H4         C   7-290.086 -17.302 545.307
   75   2H4     C   7          1H4         C   7-291.459 -16.286 544.937
   76    H5     C   7           H5         C   7-291.535 -13.919 545.475
   77    H6     C   7           H6         C   7-290.431 -12.107 546.714
   78   1H5*    U   8          1H5*        U   8-284.035 -10.172 546.185
   79   2H5*    U   8          2H5*        U   8-283.608  -8.928 544.970
   80    H4*    U   8           H4*        U   8-282.043 -10.652 544.587
   81    H3*    U   8           H3*        U   8-284.394 -10.944 542.669
   82    H2*    U   8           H2*        U   8-283.342 -12.865 541.736
   83   2HO*    U   8          2HO*        U   8-280.969 -12.107 543.116
   84    H1*    U   8           H1*        U   8-282.277 -13.862 544.045
   85    H3     U   8           H3         U   8-285.267 -17.067 542.783
   86    H5     U   8           H5         U   8-287.710 -13.870 544.013
   87    H6     U   8           H6         U   8-285.702 -12.517 544.286
   88   1H5*    C   9          1H5*        C   9-280.807 -11.695 540.521
   89   2H5*    C   9          2H5*        C   9-280.808 -10.755 538.992
   90    H4*    C   9           H4*        C   9-280.302 -13.157 538.602
   91    H3*    C   9           H3*        C   9-282.917 -12.042 537.500
   92    H2*    C   9           H2*        C   9-283.479 -14.172 536.630
   93   2HO*    C   9          2HO*        C   9-281.764 -15.810 536.435
   94    H1*    C   9           H1*        C   9-282.118 -15.720 538.583
   95   1H4     C   9          2H4         C   9-288.388 -16.691 539.466
   96   2H4     C   9          1H4         C   9-288.594 -15.076 540.107
   97    H5     C   9           H5         C   9-286.790 -13.472 540.249
   98    H6     C   9           H6         C   9-284.421 -13.052 539.734
   99   1H5*    G  10          1H5*        G  10-283.767 -12.130 532.876
  100   2H5*    G  10          2H5*        G  10-284.300 -12.183 534.589
  101    H4*    G  10           H4*        G  10-283.543 -14.704 533.082
  102    H3*    G  10           H3*        G  10-286.186 -13.197 532.996
  103    H2*    G  10           H2*        G  10-287.412 -15.184 533.338
  104   2HO*    G  10          2HO*        G  10-286.513 -16.548 531.850
  105    H1*    G  10           H1*        G  10-285.645 -16.445 535.083
  106    H8     G  10           H8         G  10-285.824 -12.989 536.450
  107    H1     G  10           H1         G  10-291.308 -16.150 537.424
  108   1H2     G  10          2H2         G  10-291.273 -18.103 536.305
  109   2H2     G  10          1H2         G  10-289.918 -18.585 535.309
  110   1H5*    A  11          1H5*        A  11-287.735 -11.847 528.817
  111   2H5*    A  11          2H5*        A  11-288.637 -12.181 530.330
  112    H4*    A  11           H4*        A  11-290.091 -12.480 528.364
  113    H3*    A  11           H3*        A  11-289.409 -14.871 530.056
  114    H2*    A  11           H2*        A  11-290.286 -16.435 528.532
  115   2HO*    A  11          2HO*        A  11-292.285 -15.727 528.076
  116    H1*    A  11           H1*        A  11-289.649 -15.167 526.137
  117    H8     A  11           H8         A  11-286.489 -14.596 527.747
  118   1H6     A  11          2H6         A  11-284.994 -20.523 526.970
  119   2H6     A  11          1H6         A  11-284.386 -18.912 527.281
  120    H2     A  11           H2         A  11-289.448 -20.201 526.653
  121   1H5*    A  12          1H5*        A  12-291.742 -16.719 533.154
  122   2H5*    A  12          2H5*        A  12-290.590 -16.537 531.789
  123    H4*    A  12           H4*        A  12-293.294 -17.596 531.104
  124    H3*    A  12           H3*        A  12-291.329 -19.138 532.842
  125    H2*    A  12           H2*        A  12-291.590 -21.067 531.530
  126   2HO*    A  12          2HO*        A  12-293.974 -19.890 530.468
  127    H1*    A  12           H1*        A  12-292.046 -19.790 529.053
  128    H8     A  12           H8         A  12-288.884 -18.256 530.244
  129   1H6     A  12          2H6         A  12-285.956 -23.458 528.640
  130   2H6     A  12          1H6         A  12-285.763 -21.799 529.160
  131    H2     A  12           H2         A  12-290.373 -24.245 528.405
  132   1H5*    A  13          1H5*        A  13-293.886 -22.319 532.386
  133   2H5*    A  13          2H5*        A  13-294.041 -23.093 534.002
  134    H4*    A  13           H4*        A  13-292.754 -24.458 532.248
  135    H3*    A  13           H3*        A  13-291.615 -23.701 534.952
  136    H2*    A  13           H2*        A  13-289.453 -24.468 534.414
  137   2HO*    A  13          2HO*        A  13-290.515 -25.803 532.124
  138    H1*    A  13           H1*        A  13-289.396 -23.779 531.743
  139    H8     A  13           H8         A  13-290.795 -21.430 534.534
  140   1H6     A  13          2H6         A  13-285.530 -18.315 533.914
  141   2H6     A  13          1H6         A  13-287.117 -18.341 534.653
  142    H2     A  13           H2         A  13-285.298 -21.903 531.243
  143   1H5*    G  14          1H5*        G  14-289.989 -27.058 535.150
  144   2H5*    G  14          2H5*        G  14-290.122 -27.825 536.768
  145    H4*    G  14           H4*        G  14-287.807 -26.928 536.203
  146    H3*    G  14           H3*        G  14-289.370 -25.974 538.622
  147    H2*    G  14           H2*        G  14-287.766 -24.357 539.144
  148   2HO*    G  14          2HO*        G  14-285.915 -25.731 537.462
  149    H1*    G  14           H1*        G  14-286.841 -23.816 536.561
  150    H8     G  14           H8         G  14-290.644 -23.627 537.363
  151    H1     G  14           H1         G  14-287.378 -18.221 538.453
  152   1H2     G  14          1H2         G  14-285.193 -18.560 538.023
  153   2H2     G  14          2H2         G  14-284.577 -20.106 537.485
  154   1H5*    A  15          1H5*        A  15-284.883 -27.310 539.210
  155   2H5*    A  15          2H5*        A  15-284.712 -27.958 540.873
  156    H4*    A  15           H4*        A  15-282.844 -26.416 540.225
  157    H3*    A  15           H3*        A  15-284.700 -25.517 542.488
  158    H2*    A  15           H2*        A  15-283.254 -23.625 542.807
  159   2HO*    A  15          2HO*        A  15-281.414 -24.752 540.936
  160    H1*    A  15           H1*        A  15-282.880 -23.111 540.094
  161    H8     A  15           H8         A  15-286.488 -24.063 540.747
  162   1H6     A  15          2H6         A  15-287.454 -18.259 542.572
  163   2H6     A  15          1H6         A  15-288.200 -19.788 542.165
  164    H2     A  15           H2         A  15-283.041 -18.762 541.939
  165   1H5*    G  16          1H5*        G  16-281.116 -24.640 544.126
  166   2H5*    G  16          2H5*        G  16-281.030 -25.270 545.801
  167    H4*    G  16           H4*        G  16-280.660 -22.810 545.702
  168    H3*    G  16           H3*        G  16-283.228 -23.768 547.071
  169    H2*    G  16           H2*        G  16-283.670 -21.510 547.643
  170   2HO*    G  16          2HO*        G  16-282.124 -20.098 548.055
  171    H1*    G  16           H1*        G  16-282.570 -20.382 545.315
  172    H8     G  16           H8         G  16-285.107 -23.114 544.498
  173    H1     G  16           H1         G  16-287.772 -17.479 546.014
  174   1H2     G  16          1H2         G  16-286.200 -16.116 546.884
  175   2H2     G  16          2H2         G  16-284.534 -16.615 547.074
  176   1H5*    U  17          1H5*        U  17-281.200 -21.182 550.209
  177   2H5*    U  17          2H5*        U  17-281.552 -22.030 551.751
  178    H4*    U  17           H4*        U  17-282.298 -19.600 551.666
  179    H3*    U  17           H3*        U  17-284.316 -21.835 552.149
  180    H2*    U  17           H2*        U  17-286.062 -20.240 552.275
  181   2HO*    U  17          2HO*        U  17-284.596 -18.916 553.755
  182    H1*    U  17           H1*        U  17-284.929 -18.359 550.467
  183    H3     U  17           H3         U  17-288.962 -19.198 548.539
  184    H5     U  17           H5         U  17-286.881 -22.827 548.081
  185    H6     U  17           H6         U  17-285.133 -21.951 549.526
  186   1H5*    G  18          1H5*        G  18-283.161 -19.242 556.455
  187   2H5*    G  18          2H5*        G  18-283.791 -20.411 557.663
  188    H4*    G  18           H4*        G  18-284.394 -18.060 558.237
  189    H3*    G  18           H3*        G  18-286.631 -20.006 557.522
  190    H2*    G  18           H2*        G  18-288.252 -18.262 557.820
  191   2HO*    G  18          2HO*        G  18-287.880 -16.496 559.017
  192    H1*    G  18           H1*        G  18-286.882 -16.293 556.537
  193    H8     G  18           H8         G  18-286.256 -19.695 554.889
  194    H1     G  18           H1         G  18-291.806 -17.066 553.146
  195   1H2     G  18          1H2         G  18-292.222 -15.238 554.355
  196   2H2     G  18          2H2         G  18-291.123 -14.665 555.589
  197   1H5*    G  19          1H5*        G  19-288.505 -18.060 560.568
  198   2H5*    G  19          2H5*        G  19-289.324 -19.254 561.629
  199    H4*    G  19           H4*        G  19-290.871 -17.599 560.450
  200    H3*    G  19           H3*        G  19-291.171 -20.610 560.071
  201    H2*    G  19           H2*        G  19-292.948 -20.258 558.576
  202   2HO*    G  19          2HO*        G  19-294.380 -18.960 559.473
  203    H1*    G  19           H1*        G  19-292.090 -17.788 557.532
  204    H8     G  19           H8         G  19-289.312 -20.259 557.005
  205    H1     G  19           H1         G  19-294.228 -21.209 552.998
  206   1H2     G  19          1H2         G  19-296.015 -20.035 553.701
  207   2H2     G  19          2H2         G  19-295.965 -19.029 555.133
  208   1H5*    U  20          1H5*        U  20-295.351 -18.513 561.501
  209   2H5*    U  20          2H5*        U  20-295.891 -19.726 562.708
  210    H4*    U  20           H4*        U  20-297.724 -18.929 561.155
  211    H3*    U  20           H3*        U  20-296.940 -21.868 561.271
  212    H2*    U  20           H2*        U  20-298.495 -22.403 559.562
  213   2HO*    U  20          2HO*        U  20-300.083 -20.835 560.714
  214    H1*    U  20           H1*        U  20-298.186 -20.092 558.026
  215    H3     U  20           H3         U  20-296.667 -23.635 555.510
  216    H5     U  20           H5         U  20-293.483 -22.725 558.092
  217    H6     U  20           H6         U  20-294.956 -21.184 559.277
  218   1H5*    C  21          1H5*        C  21-301.259 -22.408 561.440
  219   2H5*    C  21          2H5*        C  21-301.540 -23.429 562.891
  220    H4*    C  21           H4*        C  21-302.510 -24.434 560.817
  221    H3*    C  21           H3*        C  21-300.258 -25.864 562.273
  222    H2*    C  21           H2*        C  21-300.162 -27.537 560.614
  223   2HO*    C  21          2HO*        C  21-301.872 -28.142 559.418
  224    H1*    C  21           H1*        C  21-300.796 -25.985 558.413
  225   1H4     C  21          1H4         C  21-294.500 -26.756 557.863
  226   2H4     C  21          2H4         C  21-294.198 -25.749 559.262
  227    H5     C  21           H5         C  21-295.975 -24.898 560.696
  228    H6     C  21           H6         C  21-298.399 -24.677 560.955
  229   1H5*    C  22          1H5*        C  22-303.210 -28.862 560.901
  230   2H5*    C  22          2H5*        C  22-303.586 -29.902 562.316
  231    H4*    C  22           H4*        C  22-303.037 -31.275 560.335
  232    H3*    C  22           H3*        C  22-301.116 -31.310 562.686
  233    H2*    C  22           H2*        C  22-299.577 -32.641 561.532
  234   2HO*    C  22          2HO*        C  22-301.667 -33.417 559.740
  235    H1*    C  22           H1*        C  22-300.251 -31.846 558.890
  236   1H4     C  22          1H4         C  22-294.356 -29.525 559.878
  237   2H4     C  22          2H4         C  22-294.903 -28.569 561.236
  238    H5     C  22           H5         C  22-297.171 -28.601 562.049
  239    H6     C  22           H6         C  22-299.422 -29.520 561.707
  240    H3T    C  22           H3T        C  22-303.257 -32.324 562.649
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1-287.894 -30.090 551.945
    2   2H5*    G   1          2H5*        G   1-287.162 -31.499 551.118
    3    H4*    G   1           H4*        G   1-289.324 -32.467 550.678
    4    H3*    G   1           H3*        G   1-290.359 -29.712 551.287
    5    H2*    G   1           H2*        G   1-291.992 -30.409 552.755
    6   2HO*    G   1          2HO*        G   1-293.108 -32.403 552.436
    7    H1*    G   1           H1*        G   1-291.039 -33.075 553.298
    8    H8     G   1           H8         G   1-288.639 -30.700 554.855
    9    H1     G   1           H1         G   1-294.186 -30.781 558.068
   10   1H2     G   1          2H2         G   1-295.738 -31.895 556.883
   11   2H2     G   1          1H2         G   1-295.395 -32.598 555.319
   12    H5T    G   1           H5T        G   1-287.265 -29.556 549.855
   13   1H5*    G   2          1H5*        G   2-293.726 -32.501 548.629
   14   2H5*    G   2          2H5*        G   2-294.162 -31.170 547.508
   15    H4*    G   2           H4*        G   2-296.172 -32.448 548.152
   16    H3*    G   2           H3*        G   2-295.919 -29.585 549.146
   17    H2*    G   2           H2*        G   2-297.950 -29.781 550.388
   18   2HO*    G   2          2HO*        G   2-299.510 -31.190 549.882
   19    H1*    G   2           H1*        G   2-297.575 -32.290 551.364
   20    H8     G   2           H8         G   2-294.166 -30.701 551.391
   21    H1     G   2           H1         G   2-297.886 -28.416 556.066
   22   1H2     G   2          2H2         G   2-300.026 -28.998 555.696
   23   2H2     G   2          1H2         G   2-300.502 -29.969 554.321
   24   1H5*    A   3          1H5*        A   3-299.955 -29.260 547.391
   25   2H5*    A   3          2H5*        A   3-299.906 -27.844 546.290
   26    H4*    A   3           H4*        A   3-301.703 -27.653 548.020
   27    H3*    A   3           H3*        A   3-299.410 -25.647 548.011
   28    H2*    A   3           H2*        A   3-300.310 -24.567 549.945
   29   2HO*    A   3          2HO*        A   3-302.400 -24.579 550.393
   30    H1*    A   3           H1*        A   3-301.016 -26.825 551.322
   31    H8     A   3           H8         A   3-297.735 -27.513 549.516
   32   1H6     A   3          2H6         A   3-294.924 -24.689 554.223
   33   2H6     A   3          1H6         A   3-294.705 -25.668 552.791
   34    H2     A   3           H2         A   3-299.340 -24.017 554.674
   35   1H5*    C   4          1H5*        C   4-302.330 -23.062 548.786
   36   2H5*    C   4          2H5*        C   4-302.214 -21.607 547.739
   37    H4*    C   4           H4*        C   4-301.959 -21.116 550.206
   38    H3*    C   4           H3*        C   4-299.651 -20.530 548.291
   39    H2*    C   4           H2*        C   4-298.371 -19.731 550.088
   40   2HO*    C   4          2HO*        C   4-300.660 -19.610 551.764
   41    H1*    C   4           H1*        C   4-299.428 -21.428 552.075
   42   1H4     C   4          2H4         C   4-293.367 -23.207 551.022
   43   2H4     C   4          1H4         C   4-293.858 -24.147 549.631
   44    H5     C   4           H5         C   4-296.135 -24.158 548.776
   45    H6     C   4           H6         C   4-298.407 -23.259 549.083
   46   1H5*    C   5          1H5*        C   5-300.194 -16.700 551.114
   47   2H5*    C   5          2H5*        C   5-300.274 -15.473 549.809
   48    H4*    C   5           H4*        C   5-298.698 -14.706 551.502
   49    H3*    C   5           H3*        C   5-297.424 -15.695 548.917
   50    H2*    C   5           H2*        C   5-295.276 -15.274 549.785
   51   2HO*    C   5          2HO*        C   5-294.869 -13.597 551.033
   52    H1*    C   5           H1*        C   5-295.872 -15.770 552.502
   53   1H4     C   5          2H4         C   5-292.145 -20.575 550.492
   54   2H4     C   5          1H4         C   5-293.431 -21.208 549.491
   55    H5     C   5           H5         C   5-295.571 -20.116 549.240
   56    H6     C   5           H6         C   5-296.957 -18.219 549.964
   57   1H5*    U   6          1H5*        U   6-296.230 -11.444 550.505
   58   2H5*    U   6          2H5*        U   6-295.874 -10.419 549.076
   59    H4*    U   6           H4*        U   6-294.157 -10.220 550.903
   60    H3*    U   6           H3*        U   6-293.324 -11.311 548.184
   61    H2*    U   6           H2*        U   6-291.096 -11.558 548.972
   62   2HO*    U   6          2HO*        U   6-290.271 -10.381 550.641
   63    H1*    U   6           H1*        U   6-291.714 -12.219 551.601
   64    H3     U   6           H3         U   6-289.602 -16.026 550.296
   65    H5     U   6           H5         U   6-293.052 -15.980 547.882
   66    H6     U   6           H6         U   6-293.537 -13.746 548.717
   67   1H5*    C   7          1H5*        C   7-290.164  -8.843 549.159
   68   2H5*    C   7          2H5*        C   7-289.594  -7.988 547.688
   69    H4*    C   7           H4*        C   7-287.861  -9.509 548.693
   70    H3*    C   7           H3*        C   7-288.919 -10.088 545.889
   71    H2*    C   7           H2*        C   7-287.507 -11.969 545.758
   72   2HO*    C   7          2HO*        C   7-286.008 -11.027 547.978
   73    H1*    C   7           H1*        C   7-287.475 -12.611 548.459
   74   1H4     C   7          2H4         C   7-290.495 -17.266 545.274
   75   2H4     C   7          1H4         C   7-291.858 -16.224 544.930
   76    H5     C   7           H5         C   7-291.890 -13.859 545.499
   77    H6     C   7           H6         C   7-290.737 -12.079 546.741
   78   1H5*    U   8          1H5*        U   8-284.237 -10.181 546.278
   79   2H5*    U   8          2H5*        U   8-283.781  -8.979 545.031
   80    H4*    U   8           H4*        U   8-282.170 -10.715 544.836
   81    H3*    U   8           H3*        U   8-284.362 -11.009 542.740
   82    H2*    U   8           H2*        U   8-283.261 -12.949 541.908
   83   2HO*    U   8          2HO*        U   8-281.005 -12.116 543.436
   84    H1*    U   8           H1*        U   8-282.423 -13.961 544.301
   85    H3     U   8           H3         U   8-285.451 -17.026 542.751
   86    H5     U   8           H5         U   8-287.834 -13.766 543.927
   87    H6     U   8           H6         U   8-285.793 -12.499 544.349
   88   1H5*    C   9          1H5*        C   9-280.666 -11.936 540.842
   89   2H5*    C   9          2H5*        C   9-280.517 -10.923 539.372
   90    H4*    C   9           H4*        C   9-280.048 -13.264 538.822
   91    H3*    C   9           H3*        C   9-282.672 -12.140 537.755
   92    H2*    C   9           H2*        C   9-283.177 -14.235 536.759
   93   2HO*    C   9          2HO*        C   9-281.657 -15.539 535.968
   94    H1*    C   9           H1*        C   9-281.802 -15.853 538.645
   95   1H4     C   9          2H4         C   9-288.022 -17.082 539.530
   96   2H4     C   9          1H4         C   9-288.287 -15.495 540.218
   97    H5     C   9           H5         C   9-286.555 -13.813 540.368
   98    H6     C   9           H6         C   9-284.206 -13.286 539.859
   99   1H5*    G  10          1H5*        G  10-283.440 -11.938 533.098
  100   2H5*    G  10          2H5*        G  10-283.996 -12.083 534.798
  101    H4*    G  10           H4*        G  10-283.181 -14.509 533.169
  102    H3*    G  10           H3*        G  10-285.841 -13.038 533.147
  103    H2*    G  10           H2*        G  10-287.050 -15.043 533.420
  104   2HO*    G  10          2HO*        G  10-286.220 -16.366 531.891
  105    H1*    G  10           H1*        G  10-285.247 -16.388 535.068
  106    H8     G  10           H8         G  10-285.468 -13.038 536.663
  107    H1     G  10           H1         G  10-290.897 -16.342 537.450
  108   1H2     G  10          2H2         G  10-290.848 -18.201 536.186
  109   2H2     G  10          1H2         G  10-289.497 -18.592 535.146
  110   1H5*    A  11          1H5*        A  11-287.268 -11.467 528.934
  111   2H5*    A  11          2H5*        A  11-288.165 -11.775 530.457
  112    H4*    A  11           H4*        A  11-289.657 -12.022 528.532
  113    H3*    A  11           H3*        A  11-289.002 -14.466 530.164
  114    H2*    A  11           H2*        A  11-289.929 -15.977 528.614
  115   2HO*    A  11          2HO*        A  11-291.897 -15.320 528.105
  116    H1*    A  11           H1*        A  11-289.311 -14.675 526.234
  117    H8     A  11           H8         A  11-286.125 -14.201 527.862
  118   1H6     A  11          2H6         A  11-284.723 -20.106 526.861
  119   2H6     A  11          1H6         A  11-284.097 -18.517 527.239
  120    H2     A  11           H2         A  11-289.163 -19.709 526.537
  121   1H5*    A  12          1H5*        A  12-291.346 -16.458 533.079
  122   2H5*    A  12          2H5*        A  12-290.217 -16.289 531.695
  123    H4*    A  12           H4*        A  12-292.948 -17.331 531.078
  124    H3*    A  12           H3*        A  12-290.938 -18.886 532.750
  125    H2*    A  12           H2*        A  12-291.214 -20.803 531.422
  126   2HO*    A  12          2HO*        A  12-293.592 -19.707 530.283
  127    H1*    A  12           H1*        A  12-291.761 -19.517 528.974
  128    H8     A  12           H8         A  12-288.562 -17.989 530.131
  129   1H6     A  12          2H6         A  12-285.681 -23.155 528.315
  130   2H6     A  12          1H6         A  12-285.470 -21.520 528.899
  131    H2     A  12           H2         A  12-290.105 -23.909 528.112
  132   1H5*    A  13          1H5*        A  13-293.547 -22.087 532.286
  133   2H5*    A  13          2H5*        A  13-293.635 -22.885 533.894
  134    H4*    A  13           H4*        A  13-292.427 -24.214 532.054
  135    H3*    A  13           H3*        A  13-291.199 -23.542 534.743
  136    H2*    A  13           H2*        A  13-289.065 -24.335 534.112
  137   2HO*    A  13          2HO*        A  13-290.220 -25.561 531.807
  138    H1*    A  13           H1*        A  13-289.072 -23.542 531.477
  139    H8     A  13           H8         A  13-290.394 -21.280 534.377
  140   1H6     A  13          2H6         A  13-285.081 -18.230 533.792
  141   2H6     A  13          1H6         A  13-286.651 -18.256 534.566
  142    H2     A  13           H2         A  13-284.966 -21.705 530.977
  143   1H5*    G  14          1H5*        G  14-289.707 -26.985 534.701
  144   2H5*    G  14          2H5*        G  14-289.842 -27.884 536.250
  145    H4*    G  14           H4*        G  14-287.488 -27.159 535.711
  146    H3*    G  14           H3*        G  14-288.887 -26.089 538.203
  147    H2*    G  14           H2*        G  14-286.968 -24.808 538.731
  148   2HO*    G  14          2HO*        G  14-284.976 -25.134 537.523
  149    H1*    G  14           H1*        G  14-286.325 -24.006 536.208
  150    H8     G  14           H8         G  14-290.094 -24.003 537.185
  151    H1     G  14           H1         G  14-286.955 -18.590 538.566
  152   1H2     G  14          1H2         G  14-284.777 -18.817 538.048
  153   2H2     G  14          2H2         G  14-284.125 -20.298 537.382
  154   1H5*    A  15          1H5*        A  15-284.634 -27.388 538.983
  155   2H5*    A  15          2H5*        A  15-284.512 -27.959 540.675
  156    H4*    A  15           H4*        A  15-282.838 -26.166 540.021
  157    H3*    A  15           H3*        A  15-284.824 -25.571 542.278
  158    H2*    A  15           H2*        A  15-283.595 -23.554 542.668
  159   2HO*    A  15          2HO*        A  15-281.551 -23.261 541.423
  160    H1*    A  15           H1*        A  15-283.134 -23.009 539.944
  161    H8     A  15           H8         A  15-286.756 -23.964 540.475
  162   1H6     A  15          2H6         A  15-287.750 -18.215 542.474
  163   2H6     A  15          1H6         A  15-288.496 -19.724 541.996
  164    H2     A  15           H2         A  15-283.330 -18.717 541.939
  165   1H5*    G  16          1H5*        G  16-281.285 -24.428 543.927
  166   2H5*    G  16          2H5*        G  16-281.120 -25.117 545.574
  167    H4*    G  16           H4*        G  16-280.885 -22.656 545.606
  168    H3*    G  16           H3*        G  16-283.433 -23.767 546.896
  169    H2*    G  16           H2*        G  16-283.975 -21.553 547.547
  170   2HO*    G  16          2HO*        G  16-281.335 -20.700 546.921
  171    H1*    G  16           H1*        G  16-282.808 -20.280 545.318
  172    H8     G  16           H8         G  16-285.354 -22.994 544.396
  173    H1     G  16           H1         G  16-287.995 -17.367 545.977
  174   1H2     G  16          1H2         G  16-286.411 -16.022 546.864
  175   2H2     G  16          2H2         G  16-284.748 -16.532 547.039
  176   1H5*    U  17          1H5*        U  17-281.426 -21.104 549.974
  177   2H5*    U  17          2H5*        U  17-281.680 -21.949 551.537
  178    H4*    U  17           H4*        U  17-282.452 -19.542 551.523
  179    H3*    U  17           H3*        U  17-284.462 -21.778 552.036
  180    H2*    U  17           H2*        U  17-286.202 -20.183 552.234
  181   2HO*    U  17          2HO*        U  17-284.256 -18.112 552.507
  182    H1*    U  17           H1*        U  17-285.114 -18.270 550.432
  183    H3     U  17           H3         U  17-289.170 -19.037 548.539
  184    H5     U  17           H5         U  17-287.180 -22.718 548.082
  185    H6     U  17           H6         U  17-285.383 -21.862 549.483
  186   1H5*    G  18          1H5*        G  18-283.243 -19.100 556.277
  187   2H5*    G  18          2H5*        G  18-283.820 -20.277 557.504
  188    H4*    G  18           H4*        G  18-284.434 -17.943 558.108
  189    H3*    G  18           H3*        G  18-286.672 -19.900 557.430
  190    H2*    G  18           H2*        G  18-288.298 -18.170 557.787
  191   2HO*    G  18          2HO*        G  18-287.877 -16.356 558.939
  192    H1*    G  18           H1*        G  18-286.980 -16.181 556.489
  193    H8     G  18           H8         G  18-286.393 -19.590 554.825
  194    H1     G  18           H1         G  18-291.954 -16.926 553.170
  195   1H2     G  18          1H2         G  18-292.342 -15.093 554.389
  196   2H2     G  18          2H2         G  18-291.218 -14.528 555.604
  197   1H5*    G  19          1H5*        G  19-288.426 -17.976 560.486
  198   2H5*    G  19          2H5*        G  19-289.221 -19.133 561.605
  199    H4*    G  19           H4*        G  19-290.807 -17.513 560.457
  200    H3*    G  19           H3*        G  19-291.099 -20.525 560.067
  201    H2*    G  19           H2*        G  19-292.927 -20.169 558.637
  202   2HO*    G  19          2HO*        G  19-293.148 -17.499 559.600
  203    H1*    G  19           H1*        G  19-292.098 -17.694 557.575
  204    H8     G  19           H8         G  19-289.351 -20.181 556.983
  205    H1     G  19           H1         G  19-294.351 -21.074 553.068
  206   1H2     G  19          1H2         G  19-296.116 -19.886 553.814
  207   2H2     G  19          2H2         G  19-296.026 -18.889 555.247
  208   1H5*    U  20          1H5*        U  20-295.368 -18.611 561.928
  209   2H5*    U  20          2H5*        U  20-295.788 -20.025 562.948
  210    H4*    U  20           H4*        U  20-297.671 -19.062 561.472
  211    H3*    U  20           H3*        U  20-296.863 -21.999 561.422
  212    H2*    U  20           H2*        U  20-298.458 -22.442 559.719
  213   2HO*    U  20          2HO*        U  20-300.045 -20.994 560.954
  214    H1*    U  20           H1*        U  20-298.148 -20.062 558.294
  215    H3     U  20           H3         U  20-296.680 -23.550 555.644
  216    H5     U  20           H5         U  20-293.424 -22.630 558.133
  217    H6     U  20           H6         U  20-294.884 -21.148 559.409
  218   1H5*    C  21          1H5*        C  21-301.180 -22.615 561.676
  219   2H5*    C  21          2H5*        C  21-301.391 -23.697 563.092
  220    H4*    C  21           H4*        C  21-302.417 -24.637 561.014
  221    H3*    C  21           H3*        C  21-300.096 -26.079 562.344
  222    H2*    C  21           H2*        C  21-300.003 -27.675 560.612
  223   2HO*    C  21          2HO*        C  21-301.760 -28.006 559.177
  224    H1*    C  21           H1*        C  21-300.734 -26.059 558.493
  225   1H4     C  21          1H4         C  21-294.433 -26.683 557.805
  226   2H4     C  21          2H4         C  21-294.126 -25.689 559.213
  227    H5     C  21           H5         C  21-295.893 -24.879 560.676
  228    H6     C  21           H6         C  21-298.315 -24.750 561.009
  229   1H5*    C  22          1H5*        C  22-303.063 -29.057 560.866
  230   2H5*    C  22          2H5*        C  22-303.441 -30.119 562.264
  231    H4*    C  22           H4*        C  22-302.960 -31.474 560.260
  232    H3*    C  22           H3*        C  22-300.988 -31.571 562.562
  233    H2*    C  22           H2*        C  22-299.468 -32.875 561.354
  234   2HO*    C  22          2HO*        C  22-300.157 -34.512 560.201
  235    H1*    C  22           H1*        C  22-300.162 -32.029 558.740
  236   1H4     C  22          1H4         C  22-294.304 -29.617 559.761
  237   2H4     C  22          2H4         C  22-294.866 -28.708 561.144
  238    H5     C  22           H5         C  22-297.128 -28.798 561.957
  239    H6     C  22           H6         C  22-299.362 -29.753 561.606
  240    H3T    C  22           H3T        C  22-302.664 -32.823 563.012