*HEADER    RNA                                     26-NOV-02   1NA2              
*TITLE     SOLUTION STRUCTURE OF THE P2B HAIRPIN FROM HUMAN TELOMERASE           
*TITLE    2 RNA                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TELOMERASE RNA P2B HAIRPIN;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO                
*SOURCE   4 SAPIENS (HUMAN).                                                     
*KEYWDS    U-U BASE PAIR, U-C BASE PAIR, PENTALOOP, HAIRPIN, RNA, NMR,           
*KEYWDS   2 TELOMERASE, NARROW MINOR GROOVE, U TRACTS                            
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    C.A.THEIMER, L.D.FINGER, L.TRANTIREK, J.FEIGON                        
*REVDAT   1   27-JAN-04 1NA2    0                                                
{* The following dihedral constraints enforce the correct chirality on
   deoxyribose ring atoms. The four ligand atoms in each case are selected
   in a way that the improper dihedral angle is always around +70 deg for
   the correct configuration. The target values get loose bounds of +/- 50 deg.
   Violations are sanctioned with the very high force constant of 500.0
*}

set message=on echo=on end

for $nchir in (1 2 3 4 5 6 7 8 9 10 11 12 13 14
    15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30) loop chiral

restraints dihedral

 scale= 1.0

assign 
   (resid $nchir and name O4' )
   (resid $nchir and  ((resname CYT and name N1) 
                   or (resname URI and name N1)
                   or (resname GUA and name N9)
                   or (resname ADE and name N9)
   ) )
   (resid $nchir and name C2' )
   (resid $nchir and name H1' )      3.0  70.0  20.0  2

assign 
   (resid $nchir and name C1' )
   (resid $nchir and name C3' )
   (resid $nchir and name O2' )      {changed from H2'' for use on ribose--jem}
   (resid $nchir and name H2' )      3.0  70.0  20.0  2

assign 
   (resid $nchir and name C2' )
   (resid $nchir and name C4' )
   (resid $nchir and name O3' )
   (resid $nchir and name H3' )      3.0  70.0  20.0  2

assign 
   (resid $nchir and name C3' )
   (resid $nchir and name C5' )
   (resid $nchir and name O4' )
   (resid $nchir and name H4' )      3.0  70.0  20.0  2

assign 
   (resid $nchir and name C4' )
   (resid $nchir and name O5' )
   (resid $nchir and name H5'' )
   (resid $nchir and name H5' )      3.0  70.0  20.0  2

end

end loop chiral

 
!{* keep Gua amino groups flat *}
for $namin in (1 2 3 6 15 18 26) loop amino 

restraints  dihedral

 scale= 1.0

assign 
   (resid $namin and name H21 )
   (resid $namin and name N2  )
   (resid $namin and name C2  )
   (resid $namin and name N1  )        3.0  0.0  3.0  2
assign 
   (resid $namin and name H22 )
   (resid $namin and name N2  )
   (resid $namin and name C2  )
   (resid $namin and name N3  )        3.0  0.0  3.0  2
end

end loop amino

!{* keep cytosine amino flat *}
for $namin2 in (4 12 14 16 20 24 27 28 29 30) loop amino2

 restraints dihedral

 scale= 1.0

assign 
    (resid $namin2 and name H41)
    (resid $namin2 and name N4 )
    (resid $namin2 and name C4 )
    (resid $namin2 and name N3 )       3.0  0.0  3.0  2

assign
    (resid $namin2 and name H42)
    (resid $namin2 and name N4 )
    (resid $namin2 and name C4 )
    (resid $namin2 and name C5 )       3.0  0.0  3.0  2  
end 

end loop amino2

!{* keep adenine amino flat *}
for $namin3 in (19 25) loop amino3

 restraints dihedral

 scale= 1.0

assign 
    (resid $namin3 and name H61)
    (resid $namin3 and name N6 )
    (resid $namin3 and name C6 )
    (resid $namin3 and name N1 )       3.0  0.0  3.0  2

assign
    (resid $namin3 and name H62)
    (resid $namin3 and name N6 )
    (resid $namin3 and name C6 )
    (resid $namin3 and name C5 )       3.0  0.0  3.0  2  
end 

end loop amino3

!{* anti *}
!
!for $n in ( 1 2 3 4 5 6 7 8 9 10 11 12 13 14) loop l1
!
!restraints  dihedral
!
! scale= 1.0
!
!assign 
!   (resid $n and name H1' )
!   
!   (resid $n and name C1' )
!   
!   (resid $n and ((resname CYT and name N1) or (resname THY and name N1) or (resname URI and name N1) or
!                   (resname GUA and name N9) or (resname INO and name N9)
!		    or (resname ADE and name N9) or (resname C_H and name N1)) )
!   
!   (resid $n and ((resname CYT and name C6) or (resname THY and name C6) or (resname URI and name C6) or
!                   (resname GUA and name C8) or (resname INO and name C8)
!		    or (resname ADE and name C8) or (resname C_H and name C6)) )
!   
!   50.0  180.0  80.0  2
!end
!
!end loop l1
!
!{* syn  *}
!{* note: loop residue 7 is syn *}
!
!for $n in ( 1 3 7 9 11 17 19 23 25 27 ) loop l2
!
!restraints  dihedral
!
! scale= 1.0
!
!assign 
!   (resid $n and name H1' )
!   
!   (resid $n and name C1' )
!   
!   (resid $n and ((resname CYT and name N1) or (resname THY and name N1) or (resname URI and name N1) or
!                   (resname GUA and name N9) or (resname INO and name N9)
!		    or (resname ADE and name N9) or (resname C_H and name N1)) )
!   
!   (resid $n and ((resname CYT and name C6) or (resname THY and name C6) or (resname URI and name C6) or
!                   (resname GUA and name C8) or (resname INO and name C8)
!		    or (resname ADE and name C8) or (resname C_H and name C6)) )
!   
!   50.0   0.0  80.0  2
!
!end
!end loop l2



set message=on echo=on end
assign (resid  15 and  name   H2') (resid  14 and  name    H6) 6.0 0.0 9.9
assign (resid  15 and  name   H2') (resid  14 and  name   H1') 7.0 0.0 9.9
assign (resid  15 and  name    H8) (resid  12 and  name    H5) 8.0 0.0 9.9
assign (resid  15 and  name   H2') (resid  14 and  name   H2') 4.0 0.0 9.9
assign (resid  15 and  name   H2') (resid  14 and  name   H3') 5.0 0.0 9.9 
assign (resid  15 and  name    H8) (resid  17 and  name   H4') 4.0 0.0 9.9
assign (resid  15 and  name    H8) (resid  17 and  name    H5) 5.0 0.0 9.9
assign (resid   1 and  name    H1) (resid  29 and  name   H41) 2.4 0.6 2.1
assign (resid   1 and  name    H1) (resid  29 and  name   H42) 2.7 0.9 1.8
assign (resid   1 and  name    H1) (resid  30 and  name    H5) 3.3 0.8 2.2
assign (resid   1 and  name    H1) (resid  30 and  name    H6) 5.5 1.0 1.0
assign (resid   1 and  name    H8) (resid   1 and  name   H1') 3.5 0.7 0.7
assign (resid   1 and  name    H8) (resid   1 and  name   H4') 3.5 1.0 1.0
assign (resid   1 and  name   H1') (resid   1 and  name   H2') 2.7 0.5 0.5
assign (resid   1 and  name   H1') (resid   1 and  name   H3') 3.5 0.7 0.7
assign (resid   1 and  name   H1') (resid   2 and  name    H8) 2.8 0.3 1.7
assign (resid   1 and  name   H2') (resid   1 and  name    H8) 4.5 0.9 0.9
assign (resid   1 and  name   H2') (resid   1 and  name   H4') 3.5 1.0 1.0
assign (resid   1 and  name   H2') (resid   1 and  name  H5'*) 4.5 1.0 1.0
assign (resid   1 and  name   H2') (resid   2 and  name    H8) 2.3 0.5 0.5
assign (resid   1 and  name   H2') (resid   2 and  name   H1') 4.1 0.8 0.8
assign (resid   1 and  name   H3') (resid   1 and  name    H8) 3.0 0.6 0.6
assign (resid   1 and  name   H3') (resid   1 and  name   H2') 3.0 0.5 1.5
assign (resid   1 and  name   H3') (resid   2 and  name    H8) 3.0 0.6 0.6
assign (resid   1 and  name   H3') (resid   2 and  name   H1') 4.8 1.0 1.0
assign (resid   1 and  name   H4') (resid   1 and  name   H1') 3.5 1.0 1.0
assign (resid   1 and  name  H5'*) (resid   1 and  name    H8) 3.4 0.7 0.7
assign (resid   1 and  name  H5'*) (resid   1 and  name   H1') 4.1 0.8 0.8
assign (resid   2 and  name    H1) (resid  28 and  name   H41) 2.3 0.5 2.2
assign (resid   2 and  name    H1) (resid  28 and  name   H42) 2.6 0.8 1.9
assign (resid   2 and  name    H8) (resid   1 and  name    H8) 4.6 0.9 0.9
assign (resid   2 and  name    H8) (resid   2 and  name   H4') 3.5 1.0 1.0
assign (resid   2 and  name   H1') (resid   2 and  name    H8) 2.8 0.3 1.7
assign (resid   2 and  name   H1') (resid   3 and  name    H8) 3.8 0.8 0.8
assign (resid   2 and  name   H2') (resid   1 and  name    H8) 5.4 1.1 1.1
assign (resid   2 and  name   H2') (resid   2 and  name    H8) 3.5 1.0 1.0
assign (resid   2 and  name   H2') (resid   2 and  name   H1') 2.5 0.5 0.5
assign (resid   2 and  name   H2') (resid   3 and  name    H8) 2.4 0.5 0.5
assign (resid   2 and  name   H2') (resid   3 and  name   H1') 4.0 0.8 0.8
assign (resid   2 and  name   H3') (resid   1 and  name   H2') 3.5 1.0 1.0
assign (resid   2 and  name   H3') (resid   2 and  name    H8) 2.9 0.6 0.6
assign (resid   2 and  name   H3') (resid   2 and  name   H1') 3.5 1.0 1.0
assign (resid   2 and  name   H3') (resid   2 and  name  H5'*) 3.0 1.2 0.5
assign (resid   2 and  name   H4') (resid   2 and  name   H1') 2.5 0.5 0.5
assign (resid   2 and  name   H4') (resid   3 and  name    H8) 4.5 1.0 1.0
assign (resid   2 and  name  H5'*) (resid   2 and  name    H8) 3.7 0.7 0.7
assign (resid   2 and  name  H5'*) (resid   2 and  name   H1') 4.3 0.9 0.9
assign (resid   3 and  name    H1) (resid   2 and  name    H1) 3.6 1.1 1.0
assign (resid   3 and  name    H1) (resid  27 and  name   H42) 2.6 0.8 1.9
assign (resid   3 and  name    H8) (resid   2 and  name    H8) 4.5 0.9 0.9
assign (resid   3 and  name    H8) (resid   4 and  name    H6) 4.6 0.9 0.9
assign (resid   3 and  name   H1') (resid   2 and  name   H1') 5.5 1.0 1.0
assign (resid   3 and  name   H1') (resid   3 and  name    H8) 3.9 0.8 0.8
assign (resid   3 and  name   H1') (resid   4 and  name    H6) 3.8 0.8 0.8
assign (resid   3 and  name   H2') (resid   3 and  name   H1') 2.3 0.5 1.2
assign (resid   3 and  name   H2') (resid   4 and  name    H5) 3.1 0.6 0.6
assign (resid   3 and  name   H3') (resid   3 and  name    H8) 3.1 0.6 0.6
assign (resid   3 and  name   H3') (resid   3 and  name   H1') 3.6 1.1 1.9
assign (resid   3 and  name   H3') (resid   4 and  name    H5) 3.4 0.7 0.7
assign (resid   3 and  name   H3') (resid   4 and  name    H6) 2.3 0.5 1.2
assign (resid   3 and  name   H4') (resid   3 and  name    H8) 4.5 0.9 0.9
assign (resid   3 and  name   H4') (resid   3 and  name   H1') 3.3 0.8 1.2
assign (resid   3 and  name  H5'*) (resid   2 and  name   H1') 4.8 1.0 1.0
assign (resid   3 and  name  H5'*) (resid   3 and  name    H8) 3.3 0.7 0.7
assign (resid   3 and  name  H5'*) (resid   3 and  name   H1') 4.2 0.8 0.8
assign (resid   3 and  name  H5'*) (resid   3 and  name   H3') 2.1 0.3 2.4
assign (resid   4 and  name    H5) (resid   3 and  name    H8) 4.3 0.9 0.9
assign (resid   4 and  name    H5) (resid   3 and  name   H1') 4.5 0.9 0.9
assign (resid   4 and  name    H5) (resid   4 and  name    H6) 2.3 0.5 1.2
assign (resid   4 and  name    H5) (resid   4 and  name   H1') 4.0 0.5 2.5             
assign (resid   4 and  name    H5) (resid   5 and  name    H5) 3.6 0.7 0.7
assign (resid   4 and  name    H5) (resid   5 and  name    H6) 4.8 1.0 1.0
assign (resid   4 and  name    H6) (resid   3 and  name   H2') 3.0 1.2 0.5
assign (resid   4 and  name    H6) (resid   4 and  name   H4') 3.5 1.0 1.0
assign (resid   4 and  name    H6) (resid   4 and  name  H5'*) 3.0 1.2 0.5
assign (resid   4 and  name    H6) (resid   5 and  name    H6) 4.0 0.8 0.8
assign (resid   4 and  name   H1') (resid   3 and  name   H1') 5.4 1.1 1.1
assign (resid   4 and  name   H1') (resid   4 and  name    H6) 3.3 0.8 1.2
assign (resid   4 and  name   H1') (resid   5 and  name    H6) 4.5 1.0 1.0
assign (resid   4 and  name   H2') (resid   4 and  name    H5) 4.3 0.9 0.9
assign (resid   4 and  name   H2') (resid   4 and  name    H6) 4.0 1.0 1.0
assign (resid   4 and  name   H2') (resid   4 and  name   H1') 3.0 0.5 1.5
assign (resid   4 and  name   H3') (resid   4 and  name    H5) 3.5 1.0 2.0
assign (resid   4 and  name   H3') (resid   4 and  name    H6) 1.9 0.1 1.6
assign (resid   4 and  name   H3') (resid   5 and  name    H5) 3.1 0.6 0.6
assign (resid   4 and  name  H5'*) (resid   4 and  name    H5) 4.6 0.9 0.9
assign (resid   4 and  name  H5'*) (resid   4 and  name   H1') 3.6 1.1 2.9
assign (resid   5 and  name    H3) (resid   4 and  name    H5) 3.6 1.1 1.9
assign (resid   5 and  name    H3) (resid   4 and  name    H6) 5.5 1.0 1.0
assign (resid   5 and  name    H3) (resid   5 and  name    H6) 3.1 0.6 2.4
assign (resid   5 and  name    H3) (resid   6 and  name    H1) 5.1 0.6 1.4
assign (resid   5 and  name    H3) (resid  25 and  name    H2) 2.2 0.4 2.3
assign (resid   5 and  name    H3) (resid  26 and  name    H1) 2.8 0.3 2.7
assign (resid   5 and  name    H5) (resid   4 and  name    H6) 4.5 1.0 1.0
assign (resid   5 and  name    H5) (resid   4 and  name   H1') 5.5 1.0 0.5
assign (resid   5 and  name    H5) (resid   5 and  name    H6) 2.3 0.5 0.5
assign (resid   5 and  name    H5) (resid   5 and  name   H1') 5.5 1.0 0.5
assign (resid   5 and  name    H5) (resid   6 and  name    H8) 4.2 0.8 0.8
assign (resid   5 and  name    H6) (resid   5 and  name   H2') 5.5 2.0 0.0
assign (resid   5 and  name    H6) (resid   5 and  name   H4') 3.5 1.0 1.0
assign (resid   5 and  name   H1') (resid   5 and  name    H6) 3.5 1.0 1.0
assign (resid   5 and  name   H1') (resid   6 and  name    H8) 3.8 0.8 0.8
assign (resid   5 and  name   H1') (resid   6 and  name   H1') 4.9 1.0 1.0
assign (resid   5 and  name   H1') (resid  25 and  name    H2) 4.7 0.9 0.9
assign (resid   5 and  name   H2') (resid   5 and  name    H5) 4.7 0.9 0.9
assign (resid   5 and  name   H2') (resid   5 and  name   H1') 2.6 0.5 0.5
assign (resid   5 and  name   H2') (resid   6 and  name    H8) 2.3 0.5 0.5
assign (resid   5 and  name   H3') (resid   5 and  name    H6) 3.2 1.4 0.3
assign (resid   5 and  name   H3') (resid   5 and  name   H1') 3.7 0.7 0.7
assign (resid   5 and  name   H3') (resid   5 and  name   H2') 1.9 0.1 1.6
assign (resid   5 and  name   H3') (resid   6 and  name    H8) 2.5 0.7 2.0
assign (resid   5 and  name   H4') (resid   5 and  name   H2') 3.8 0.3 0.7
assign (resid   5 and  name   H4') (resid   6 and  name    H8) 3.3 0.2 2.2
assign (resid   6 and  name    H1) (resid   6 and  name   H21) 2.4 0.6 2.1
assign (resid   6 and  name    H1) (resid   6 and  name   H22) 2.3 0.5 2.2
assign (resid   6 and  name    H1) (resid   7 and  name    H5) 2.8 1.0 2.7
assign (resid   6 and  name    H1) (resid  23 and  name    H5) 3.7 1.2 1.8
assign (resid   6 and  name    H1) (resid  23 and  name    H6) 4.0 0.5 2.5
assign (resid   6 and  name    H1) (resid  24 and  name   H41) 2.3 0.5 2.2
assign (resid   6 and  name    H1) (resid  24 and  name   H42) 2.7 0.9 1.8
assign (resid   6 and  name    H1) (resid  25 and  name    H2) 3.9 0.4 2.6
assign (resid   6 and  name    H8) (resid   5 and  name    H6) 3.9 0.8 0.8
assign (resid   6 and  name    H8) (resid   6 and  name   H2') 3.5 1.0 1.0
assign (resid   6 and  name   H1') (resid   5 and  name    H5) 5.5 1.0 1.5
assign (resid   6 and  name   H1') (resid   6 and  name    H8) 3.6 0.7 0.7
assign (resid   6 and  name   H1') (resid   7 and  name    H6) 4.5 1.0 1.0
assign (resid   6 and  name   H1') (resid   7 and  name   H1') 5.0 1.0 1.0
assign (resid   6 and  name   H1') (resid  25 and  name    H2) 4.9 1.0 1.0
assign (resid   6 and  name   H3') (resid   6 and  name    H8) 2.8 0.6 0.6
assign (resid   6 and  name   H3') (resid   6 and  name   H1') 4.0 0.5 1.5
assign (resid   6 and  name   H3') (resid   7 and  name   H1') 5.2 1.0 1.0
assign (resid   6 and  name  H5'*) (resid   6 and  name    H8) 3.7 0.7 0.7
assign (resid   6 and  name  H5'*) (resid   6 and  name   H4') 2.1 0.3 2.4
assign (resid   7 and  name    H3) (resid   6 and  name    H1) 2.9 0.4 2.6
assign (resid   7 and  name    H3) (resid   6 and  name   H22) 3.7 1.2 1.8
assign (resid   7 and  name    H3) (resid   7 and  name    H6) 3.8 0.3 2.7
assign (resid   7 and  name    H3) (resid   7 and  name   H1') 3.1 0.6 2.4
assign (resid   7 and  name    H3) (resid   8 and  name    H3) 2.2 0.4 2.3
assign (resid   7 and  name    H3) (resid  24 and  name   H41) 3.0 0.5 2.5
assign (resid   7 and  name    H3) (resid  24 and  name   H42) 3.3 0.8 2.2
assign (resid   7 and  name    H5) (resid   6 and  name    H8) 3.5 1.0 1.0
assign (resid   7 and  name    H5) (resid   6 and  name   H1') 4.6 0.9 0.9
assign (resid   7 and  name    H5) (resid   6 and  name   H3') 3.1 0.6 0.6
assign (resid   7 and  name    H5) (resid   7 and  name    H6) 2.1 0.3 1.4
assign (resid   7 and  name    H5) (resid   7 and  name   H3') 3.6 0.7 0.7
assign (resid   7 and  name    H5) (resid   7 and  name  H5'*) 4.8 1.0 1.0
assign (resid   7 and  name    H5) (resid   8 and  name    H5) 3.7 0.7 0.7
assign (resid   7 and  name    H6) (resid   6 and  name    H8) 4.4 0.9 2.1
assign (resid   7 and  name    H6) (resid   6 and  name   H3') 3.5 1.0 1.0
assign (resid   7 and  name    H6) (resid   7 and  name   H1') 3.5 0.7 0.7
assign (resid   7 and  name    H6) (resid   8 and  name    H6) 4.2 0.8 0.8
assign (resid   7 and  name   H1') (resid   8 and  name    H6) 3.8 0.8 0.8
assign (resid   7 and  name   H1') (resid   8 and  name   H1') 5.5 1.0 0.5
assign (resid   7 and  name   H2') (resid   7 and  name    H5) 4.5 1.0 1.0
assign (resid   7 and  name   H2') (resid   7 and  name    H6) 4.0 0.8 0.8
assign (resid   7 and  name   H2') (resid   7 and  name   H1') 2.7 0.5 0.5
assign (resid   7 and  name   H2') (resid   7 and  name   H3') 3.0 1.2 0.5
assign (resid   7 and  name   H2') (resid   8 and  name    H5) 3.0 0.5 0.5
assign (resid   7 and  name   H2') (resid   8 and  name    H6) 3.1 1.3 0.4
assign (resid   7 and  name   H3') (resid   7 and  name    H6) 2.4 0.5 0.5
assign (resid   7 and  name   H4') (resid   7 and  name   H1') 3.6 0.7 0.7
assign (resid   7 and  name  H5'*) (resid   6 and  name    H8) 5.5 1.0 1.5
assign (resid   7 and  name  H5'*) (resid   7 and  name    H6) 2.9 0.6 0.6
assign (resid   7 and  name  H5'*) (resid   7 and  name   H1') 4.1 0.8 0.8
assign (resid   8 and  name    H3) (resid  22 and  name    H3) 2.3 0.5 2.2
assign (resid   8 and  name    H3) (resid  22 and  name    H6) 3.2 0.7 2.3
assign (resid   8 and  name    H3) (resid  23 and  name    H3) 3.3 0.8 2.2
assign (resid   8 and  name    H5) (resid   7 and  name    H6) 3.6 0.7 0.7
assign (resid   8 and  name    H5) (resid   7 and  name   H1') 4.1 0.8 0.8
assign (resid   8 and  name    H5) (resid   8 and  name    H6) 2.5 0.7 1.0
assign (resid   8 and  name    H6) (resid   7 and  name   H3') 4.5 1.0 1.0
assign (resid   8 and  name    H6) (resid   8 and  name   H3') 3.5 1.0 1.0
assign (resid   8 and  name    H6) (resid   8 and  name  H5'*) 3.5 1.0 1.0
assign (resid   8 and  name   H1') (resid   8 and  name    H5) 5.5 1.0 0.5
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assign (resid  20 and  name   H2') (resid  20 and  name   H1') 2.6 0.5 0.5
assign (resid  20 and  name   H2') (resid  21 and  name    H6) 2.5 0.7 1.0
assign (resid  20 and  name   H3') (resid  19 and  name   H2') 2.5 0.7 2.0
assign (resid  20 and  name   H3') (resid  20 and  name    H6) 2.7 0.5 0.5
assign (resid  20 and  name   H3') (resid  20 and  name   H1') 3.4 0.7 0.7
assign (resid  20 and  name   H3') (resid  21 and  name    H5) 5.5 2.0 0.0
assign (resid  20 and  name   H4') (resid  20 and  name    H6) 4.1 0.8 0.8
assign (resid  20 and  name   H4') (resid  20 and  name   H1') 3.7 0.7 0.7
assign (resid  20 and  name   H4') (resid  20 and  name  H5'*) 2.6 0.8 1.9
assign (resid  20 and  name   H41) (resid  10 and  name    H5) 2.5 0.7 2.0
assign (resid  20 and  name  H5'*) (resid  19 and  name   H1') 4.5 0.9 0.9
assign (resid  20 and  name  H5'*) (resid  20 and  name    H6) 3.5 0.7 0.7
assign (resid  21 and  name    H3) (resid   8 and  name    H3) 3.9 0.4 2.6
assign (resid  21 and  name    H3) (resid   9 and  name    H3) 2.4 0.6 2.1
assign (resid  21 and  name    H3) (resid  11 and  name    H3) 4.9 0.4 1.6
assign (resid  21 and  name    H3) (resid  22 and  name    H3) 3.9 0.4 2.6
assign (resid  21 and  name    H3) (resid  22 and  name    H6) 3.2 0.7 2.3
assign (resid  21 and  name    H5) (resid  20 and  name    H6) 3.3 0.7 0.7
assign (resid  21 and  name    H5) (resid  20 and  name   H1') 4.5 1.0 1.0
assign (resid  21 and  name    H5) (resid  21 and  name    H6) 2.5 0.7 1.0
assign (resid  21 and  name    H5) (resid  22 and  name    H5) 3.9 0.4 1.6
assign (resid  21 and  name    H6) (resid  20 and  name   H3') 3.5 1.0 1.0
assign (resid  21 and  name    H6) (resid  21 and  name   H3') 5.5 2.0 0.0
assign (resid  21 and  name    H6) (resid  22 and  name    H6) 5.5 1.0 0.5
assign (resid  21 and  name   H1') (resid  20 and  name   H1') 4.6 0.9 0.9
assign (resid  21 and  name   H1') (resid  20 and  name   H2') 3.5 1.0 1.0
assign (resid  21 and  name   H1') (resid  21 and  name    H6) 3.5 1.0 1.0
assign (resid  21 and  name   H1') (resid  22 and  name    H5) 5.5 1.0 0.5
assign (resid  21 and  name   H1') (resid  22 and  name    H6) 3.9 0.8 0.8
assign (resid  21 and  name   H1') (resid  22 and  name   H1') 5.5 1.0 0.5
assign (resid  21 and  name   H2') (resid  21 and  name    H6) 2.3 0.5 1.2
assign (resid  21 and  name   H2') (resid  21 and  name   H1') 2.0 0.2 1.5
assign (resid  21 and  name   H2') (resid  22 and  name    H6) 1.6 0.2 1.9
assign (resid  21 and  name   H3') (resid  21 and  name   H2') 3.0 1.2 0.5
assign (resid  21 and  name   H3') (resid  21 and  name   H4') 3.5 1.0 1.0
assign (resid  21 and  name   H3') (resid  22 and  name    H5) 3.5 1.0 1.0
assign (resid  21 and  name   H3') (resid  22 and  name    H6) 2.4 0.6 1.1
assign (resid  22 and  name    H3) (resid  22 and  name    H5) 2.5 0.7 2.0
assign (resid  22 and  name    H3) (resid  22 and  name    H6) 3.0 0.5 2.5
assign (resid  22 and  name    H3) (resid  23 and  name    H3) 2.2 0.4 2.3
assign (resid  22 and  name    H5) (resid  22 and  name    H6) 2.3 0.5 1.2
assign (resid  22 and  name    H6) (resid  22 and  name   H3') 3.0 1.2 0.5
assign (resid  22 and  name   H1') (resid  22 and  name    H5) 4.9 0.4 1.6
assign (resid  22 and  name   H1') (resid  22 and  name    H6) 2.7 0.2 1.8
assign (resid  22 and  name   H1') (resid  23 and  name    H5) 3.8 0.8 0.8
assign (resid  22 and  name   H1') (resid  23 and  name    H6) 4.5 1.0 1.0
assign (resid  22 and  name   H2') (resid  22 and  name    H5) 4.5 1.0 1.0
assign (resid  22 and  name   H2') (resid  22 and  name    H6) 4.0 1.0 0.0
assign (resid  22 and  name   H2') (resid  22 and  name   H1') 2.4 0.1 2.1
assign (resid  22 and  name   H2') (resid  23 and  name    H5) 3.5 1.0 1.0
assign (resid  22 and  name   H2') (resid  23 and  name    H6) 2.3 0.5 0.5
assign (resid  22 and  name   H3') (resid  23 and  name    H5) 3.5 1.0 1.0
assign (resid  22 and  name   H3') (resid  23 and  name    H6) 3.0 0.6 0.6
assign (resid  22 and  name   H4') (resid  22 and  name   H1') 1.8 0.0 1.7
assign (resid  22 and  name  H5'*) (resid  22 and  name    H6) 3.4 0.7 0.7
assign (resid  23 and  name    H3) (resid   6 and  name    H1) 3.2 0.7 2.3
assign (resid  23 and  name    H3) (resid   6 and  name   H21) 4.5 1.0 2.0
assign (resid  23 and  name    H3) (resid   6 and  name   H22) 3.6 1.1 1.9
assign (resid  23 and  name    H3) (resid   7 and  name    H3) 2.2 0.4 2.2
assign (resid  23 and  name    H3) (resid   7 and  name    H5) 4.5 1.0 1.0
assign (resid  23 and  name    H3) (resid   8 and  name   H1') 2.8 1.0 2.8
assign (resid  23 and  name    H3) (resid  23 and  name    H6) 3.4 0.9 2.9
assign (resid  23 and  name    H3) (resid  24 and  name    H6) 4.2 0.7 2.3
assign (resid  23 and  name    H3) (resid  24 and  name   H41) 3.4 0.9 2.9
assign (resid  23 and  name    H3) (resid  24 and  name   H42) 3.6 1.1 1.9
assign (resid  23 and  name    H5) (resid  22 and  name    H3) 4.5 1.0 1.0
assign (resid  23 and  name    H5) (resid  23 and  name    H6) 2.5 0.7 1.0
assign (resid  23 and  name    H5) (resid  23 and  name   H1') 4.7 0.9 0.9
assign (resid  23 and  name    H5) (resid  24 and  name    H5) 4.4 0.9 0.9
assign (resid  23 and  name    H6) (resid  22 and  name   H4') 5.5 2.0 0.0
assign (resid  23 and  name    H6) (resid  23 and  name   H3') 3.5 1.0 1.0
assign (resid  23 and  name    H6) (resid  24 and  name    H6) 3.9 0.8 0.8
assign (resid  23 and  name   H1') (resid  23 and  name    H6) 3.5 1.0 1.0
assign (resid  23 and  name   H1') (resid  24 and  name    H5) 4.6 0.9 0.9
assign (resid  23 and  name   H1') (resid  24 and  name    H6) 3.9 0.8 0.8
assign (resid  23 and  name   H1') (resid  24 and  name   H1') 5.5 1.0 1.5
assign (resid  23 and  name   H2') (resid  24 and  name    H5) 2.5 0.7 2.0
assign (resid  23 and  name   H2') (resid  24 and  name    H6) 2.4 0.5 0.5
assign (resid  23 and  name   H3') (resid  24 and  name    H5) 4.0 1.5 1.5
assign (resid  23 and  name   H3') (resid  24 and  name    H6) 3.1 0.6 0.6
assign (resid  23 and  name  H5'*) (resid  23 and  name    H6) 3.6 0.7 0.7
assign (resid  24 and  name    H5) (resid  23 and  name    H6) 3.6 0.7 0.7
assign (resid  24 and  name    H5) (resid  24 and  name    H6) 2.3 0.5 0.5
assign (resid  24 and  name    H5) (resid  24 and  name   H1') 5.5 1.0 0.5
assign (resid  24 and  name    H5) (resid  25 and  name    H8) 5.5 1.0 0.5
assign (resid  24 and  name    H6) (resid  23 and  name    H5) 5.5 1.0 1.0
assign (resid  24 and  name    H6) (resid  23 and  name   H4') 4.5 1.0 1.0
assign (resid  24 and  name    H6) (resid  24 and  name  H5'*) 3.5 1.0 1.0
assign (resid  24 and  name   H1') (resid  24 and  name    H6) 3.6 0.7 0.7
assign (resid  24 and  name   H1') (resid  24 and  name   H4') 3.5 1.0 1.0
assign (resid  24 and  name   H1') (resid  25 and  name    H8) 4.1 0.8 0.8
assign (resid  24 and  name   H1') (resid  25 and  name   H1') 5.2 1.0 1.0
assign (resid  24 and  name   H2') (resid  24 and  name    H6) 2.4 0.6 1.1
assign (resid  24 and  name   H2') (resid  24 and  name   H1') 3.7 1.2 0.8
assign (resid  24 and  name   H2') (resid  25 and  name   H1') 3.9 0.4 1.6
assign (resid  24 and  name   H3') (resid  24 and  name    H6) 3.2 0.7 1.3
assign (resid  24 and  name   H4') (resid  24 and  name   H3') 3.0 1.0 1.0
assign (resid  24 and  name   H4') (resid  24 and  name  H5'*) 3.0 1.2 0.5
assign (resid  24 and  name  H5'*) (resid  24 and  name   H1') 4.6 0.9 0.9
assign (resid  24 and  name  H5'*) (resid  24 and  name   H3') 2.8 1.0 1.7
assign (resid  25 and  name    H2) (resid   4 and  name    H5) 5.5 1.1 1.1
assign (resid  25 and  name    H2) (resid   5 and  name    H5) 5.2 1.0 1.0
assign (resid  25 and  name    H2) (resid   6 and  name    H8) 4.8 1.0 1.0
assign (resid  25 and  name    H2) (resid  26 and  name    H8) 3.8 0.8 0.8
assign (resid  25 and  name    H8) (resid  24 and  name    H6) 5.4 1.9 1.1
assign (resid  25 and  name    H8) (resid  24 and  name   H3') 3.5 1.0 1.0
assign (resid  25 and  name   H1') (resid  25 and  name    H2) 4.4 0.9 0.9
assign (resid  25 and  name   H1') (resid  25 and  name    H8) 3.7 0.7 0.7
assign (resid  25 and  name   H1') (resid  26 and  name    H8) 3.6 0.7 0.7
assign (resid  25 and  name   H1') (resid  26 and  name   H1') 4.5 1.0 2.0
assign (resid  25 and  name   H2') (resid  25 and  name    H2) 4.1 0.8 0.8
assign (resid  25 and  name   H2') (resid  25 and  name    H8) 4.2 0.8 0.8
assign (resid  25 and  name   H2') (resid  25 and  name   H1') 2.9 0.4 1.6
assign (resid  25 and  name   H2') (resid  26 and  name    H8) 2.2 0.4 0.4
assign (resid  25 and  name   H3') (resid  24 and  name   H1') 5.3 1.1 1.1
assign (resid  25 and  name   H3') (resid  25 and  name    H8) 2.1 0.3 1.4
assign (resid  25 and  name   H3') (resid  25 and  name   H1') 3.5 0.7 0.7
assign (resid  25 and  name   H4') (resid  25 and  name    H8) 4.1 0.8 0.8
assign (resid  25 and  name   H4') (resid  25 and  name   H1') 3.6 0.7 0.7
assign (resid  25 and  name   H4') (resid  25 and  name   H2') 3.5 1.0 1.0
assign (resid  25 and  name  H5'*) (resid  24 and  name    H6) 5.5 1.1 1.1
assign (resid  25 and  name  H5'*) (resid  25 and  name    H8) 3.8 0.8 0.8
assign (resid  26 and  name    H1) (resid   3 and  name    H1) 2.9 0.4 2.6
assign (resid  26 and  name    H1) (resid   4 and  name    H5) 3.6 1.1 1.9
assign (resid  26 and  name    H1) (resid   4 and  name   H1') 3.0 0.5 2.5
assign (resid  26 and  name    H1) (resid   4 and  name   H41) 2.4 0.6 2.1
assign (resid  26 and  name    H1) (resid   4 and  name   H42) 2.7 0.9 1.8
assign (resid  26 and  name    H1) (resid   5 and  name    H6) 3.8 0.3 2.7
assign (resid  26 and  name    H1) (resid  27 and  name    H6) 4.1 0.6 2.4
assign (resid  26 and  name    H8) (resid  25 and  name    H8) 4.8 1.0 1.0
assign (resid  26 and  name    H8) (resid  27 and  name    H6) 4.5 0.9 0.9
assign (resid  26 and  name   H1') (resid  25 and  name    H2) 4.6 0.9 0.9
assign (resid  26 and  name   H1') (resid  26 and  name    H8) 2.9 0.6 0.6
assign (resid  26 and  name   H1') (resid  26 and  name   H2') 3.0 1.2 0.5
assign (resid  26 and  name   H1') (resid  27 and  name    H6) 4.9 0.4 1.6
assign (resid  26 and  name   H1') (resid  27 and  name   H1') 4.9 1.0 1.0
assign (resid  26 and  name   H2') (resid  26 and  name    H8) 4.5 1.0 1.0
assign (resid  26 and  name   H2') (resid  27 and  name    H5) 3.3 0.8 1.2
assign (resid  26 and  name   H2') (resid  27 and  name    H6) 3.0 1.2 0.5
assign (resid  26 and  name   H3') (resid  26 and  name    H8) 2.8 1.0 0.7
assign (resid  26 and  name   H3') (resid  26 and  name   H1') 3.5 1.0 1.0
assign (resid  26 and  name   H3') (resid  26 and  name  H5'*) 3.5 1.0 1.0
assign (resid  26 and  name   H3') (resid  27 and  name    H6) 2.2 0.4 1.3
assign (resid  26 and  name   H4') (resid  26 and  name    H8) 2.5 0.7 2.0
assign (resid  26 and  name   H4') (resid  26 and  name   H1') 3.2 0.7 1.3
assign (resid  26 and  name  H5'*) (resid  25 and  name   H1') 3.7 0.2 2.8
assign (resid  26 and  name  H5'*) (resid  26 and  name    H8) 3.6 0.7 0.7
assign (resid  27 and  name    H5) (resid  26 and  name    H8) 4.2 0.8 0.8
assign (resid  27 and  name    H5) (resid  26 and  name   H1') 4.6 0.9 0.9
assign (resid  27 and  name    H5) (resid  27 and  name    H6) 2.5 0.7 1.0
assign (resid  27 and  name    H5) (resid  28 and  name    H5) 3.6 0.7 0.7
assign (resid  27 and  name    H5) (resid  28 and  name    H6) 4.2 0.8 0.8
assign (resid  27 and  name    H5) (resid  28 and  name   H1') 5.4 1.1 1.6
assign (resid  27 and  name    H6) (resid  28 and  name    H6) 3.7 0.7 0.7
assign (resid  27 and  name   H1') (resid  27 and  name    H5) 4.5 0.9 0.9
assign (resid  27 and  name   H1') (resid  27 and  name    H6) 3.0 0.5 1.5
assign (resid  27 and  name   H1') (resid  28 and  name    H6) 3.0 0.5 1.5
assign (resid  27 and  name   H2') (resid  28 and  name    H5) 4.2 1.7 0.3
assign (resid  27 and  name   H2') (resid  28 and  name    H6) 2.5 0.7 1.0
assign (resid  27 and  name   H2') (resid  28 and  name   H1') 3.0 0.5 1.5
assign (resid  27 and  name   H3') (resid  27 and  name    H6) 2.0 0.3 0.5
assign (resid  27 and  name   H3') (resid  28 and  name    H5) 4.2 1.2 1.3
assign (resid  27 and  name   H3') (resid  28 and  name    H6) 2.8 1.0 0.7
assign (resid  27 and  name  H5'*) (resid  27 and  name    H5) 4.9 1.0 1.0
assign (resid  27 and  name  H5'*) (resid  27 and  name    H6) 3.2 0.6 0.6
assign (resid  27 and  name  H5'*) (resid  27 and  name   H1') 4.5 1.0 1.0
assign (resid  28 and  name    H5) (resid  27 and  name   H1') 4.5 1.0 1.0
assign (resid  28 and  name    H5) (resid  28 and  name    H6) 2.1 0.4 0.4
assign (resid  28 and  name   H1') (resid  28 and  name    H6) 3.5 1.0 1.0
assign (resid  28 and  name   H1') (resid  29 and  name    H5) 5.5 1.0 0.5
assign (resid  28 and  name   H1') (resid  29 and  name    H6) 4.5 1.0 1.0
assign (resid  28 and  name   H2') (resid  28 and  name   H1') 2.5 0.7 1.0
assign (resid  28 and  name   H2') (resid  29 and  name    H5) 4.3 0.9 0.9
assign (resid  28 and  name   H3') (resid  28 and  name    H5) 2.7 0.2 1.8
assign (resid  28 and  name   H3') (resid  28 and  name    H6) 1.9 0.1 1.6
assign (resid  28 and  name   H3') (resid  28 and  name   H1') 3.5 1.0 1.0
assign (resid  28 and  name   H3') (resid  29 and  name    H5) 2.8 1.0 1.2
assign (resid  29 and  name    H5) (resid  29 and  name    H6) 2.2 0.4 0.4
assign (resid  29 and  name    H5) (resid  30 and  name    H5) 3.8 0.8 0.8
assign (resid  29 and  name   H1') (resid  29 and  name    H5) 5.5 1.0 0.5
assign (resid  29 and  name   H1') (resid  29 and  name    H6) 3.5 1.0 1.0
assign (resid  29 and  name   H1') (resid  30 and  name    H5) 5.5 1.0 0.5
assign (resid  29 and  name   H1') (resid  30 and  name    H6) 3.5 1.0 1.0              
assign (resid  29 and  name   H2') (resid  29 and  name    H6) 2.5 0.7 1.5
assign (resid  29 and  name   H2') (resid  29 and  name   H1') 3.0 0.5 1.5
assign (resid  29 and  name   H2') (resid  30 and  name    H6) 2.5 0.7 1.0
assign (resid  30 and  name    H5) (resid  30 and  name    H6) 2.2 0.4 1.3
assign (resid  30 and  name   H1') (resid  29 and  name    H5) 6.0 1.0 0.5
assign (resid  30 and  name   H1') (resid  30 and  name    H6) 3.5 1.0 1.0
assign (resid  30 and  name   H2') (resid  29 and  name   H1') 5.0 1.0 1.0
assign (resid  30 and  name   H2') (resid  30 and  name    H5) 4.3 0.9 0.9
assign (resid  30 and  name   H2') (resid  30 and  name    H6) 3.5 0.7 0.7
assign (resid  30 and  name   H2') (resid  30 and  name   H1') 2.3 0.5 0.5
assign (resid  30 and  name   H3') (resid  29 and  name    H6) 5.5 1.0 1.0
assign (resid  30 and  name   H4') (resid  30 and  name    H5) 5.7 1.2 0.8
assign (resid  30 and  name   H4') (resid  30 and  name    H6) 3.6 0.7 0.7
assign (resid  30 and  name   H4') (resid  30 and  name   H1') 3.5 1.0 1.0
!{* hydrogen bond restraints in the stem *}

assi (resid   1 and name   H1) (resid  29 and name   N3)  2.00 0.20 0.20
assi (resid   1 and name   N1) (resid  29 and name   N3)  2.90 0.30 0.30
assi (resid   1 and name   O6) (resid  29 and name  H41)  2.00 0.20 0.20
assi (resid   1 and name   O6) (resid  29 and name   N4)  2.90 0.30 0.30
assi (resid   1 and name  H21) (resid  29 and name   O2)  2.00 0.20 0.20
assi (resid   1 and name   N2) (resid  29 and name   O2)  2.90 0.30 0.30

assi (resid   2 and name   H1) (resid  28 and name   N3)  2.00 0.20 0.20
assi (resid   2 and name   N1) (resid  28 and name   N3)  2.90 0.30 0.30
assi (resid   2 and name   O6) (resid  28 and name  H41)  2.00 0.20 0.20
assi (resid   2 and name   O6) (resid  28 and name   N4)  2.90 0.30 0.30
assi (resid   2 and name  H21) (resid  28 and name   O2)  2.00 0.20 0.20
assi (resid   2 and name   N2) (resid  28 and name   O2)  2.90 0.30 0.30

assi (resid   3 and name   H1) (resid  27 and name   N3)  2.00 0.20 0.20
assi (resid   3 and name   N1) (resid  27 and name   N3)  2.90 0.30 0.30
assi (resid   3 and name   O6) (resid  27 and name  H41)  2.00 0.20 0.20
assi (resid   3 and name   O6) (resid  27 and name   N4)  2.90 0.30 0.30
assi (resid   3 and name  H21) (resid  27 and name   O2)  2.00 0.20 0.20
assi (resid   3 and name   N2) (resid  27 and name   O2)  2.90 0.30 0.30

assi (resid   4 and name   N3) (resid  26 and name   H1)  2.00 0.20 0.20
assi (resid   4 and name   N3) (resid  26 and name   N1)  2.90 0.30 0.30
assi (resid   4 and name  H41) (resid  26 and name   O6)  2.00 0.20 0.20
assi (resid   4 and name   N4) (resid  26 and name   O6)  2.90 0.30 0.30
assi (resid   4 and name   O2) (resid  26 and name  H21)  2.00 0.20 0.20
assi (resid   4 and name   O2) (resid  26 and name   N2)  2.90 0.30 0.30

assi (resid   5 and name   H3) (resid  25 and name   N1)  2.00 0.20 0.20
assi (resid   5 and name   N3) (resid  25 and name   N1)  2.90 0.30 0.30
assi (resid   5 and name   O4) (resid  25 and name  H61)  2.00 0.20 0.20
assi (resid   5 and name   O4) (resid  25 and name   N6)  2.90 0.30 0.30

assi (resid   6 and name   H1) (resid  24 and name   N3)  2.00 0.20 0.20
assi (resid   6 and name   N1) (resid  24 and name   N3)  2.90 0.30 0.30
assi (resid   6 and name   O6) (resid  24 and name  H41)  2.00 0.20 0.20
assi (resid   6 and name   O6) (resid  24 and name   N4)  2.90 0.30 0.30
assi (resid   6 and name  H21) (resid  24 and name   O2)  2.00 0.20 0.20
assi (resid   6 and name   N2) (resid  24 and name   O2)  2.90 0.30 0.30

assi (resid   7 and name   H3) (resid  23 and name   O4)  2.00 0.20 0.50
assi (resid   7 and name   N3) (resid  23 and name   O4)  3.00 0.20 0.50
assi (resid   7 and name   O2) (resid  23 and name   H3)  2.00 0.20 0.50
assi (resid   7 and name   O2) (resid  23 and name   N3)  3.00 0.20 0.50

assi (resid   8 and name   H3) (resid  22 and name   O2)  2.00 0.20 0.20
assi (resid   8 and name   N3) (resid  22 and name   O2)  2.90 0.30 0.30
assi (resid   8 and name   O4) (resid  22 and name   H3)  2.00 0.20 0.20
assi (resid   8 and name   O4) (resid  22 and name   N3)  2.90 0.30 0.30

assi (resid   9 and name   H3) (resid  21 and name   O2)  2.00 0.20 0.20
assi (resid   9 and name   N3) (resid  21 and name   O2)  2.90 0.30 0.30
assi (resid   9 and name   O4) (resid  21 and name   H3)  2.00 0.20 0.20
assi (resid   9 and name   O4) (resid  21 and name   N3)  2.90 0.30 0.30

assi (resid   10 and name  O4) (resid   20 and name  H41) 2.00 0.20 0.20
assi (resid   10 and name  O4) (resid   20 and name   N4) 2.90 0.30 0.30
assi (resid   10 and name  H3) (resid   20 and name   N3) 3.83 0.30 0.30
assi (resid   10 and name  N3) (resid   20 and name   N3) 4.73 0.20 0.20

assi (resid   11 and name   H3) (resid  19 and name   N1)  2.00 0.20 0.20
assi (resid   11 and name   N3) (resid  19 and name   N1)  2.90 0.30 0.30
assi (resid   11 and name   O4) (resid  19 and name  H61)  2.00 0.20 0.20
assi (resid   11 and name   O4) (resid  19 and name   N6)  2.90 0.30 0.30

assi (resid   12 and name   N3) (resid  18 and name   H1)  2.00 0.20 0.20
assi (resid   12 and name   N3) (resid  18 and name   N1)  2.90 0.30 0.30
assi (resid   12 and name  H41) (resid  18 and name   O6)  2.00 0.20 0.20
assi (resid   12 and name   N4) (resid  18 and name   O6)  2.90 0.30 0.30
assi (resid   12 and name   O2) (resid  18 and name  H21)  2.00 0.20 0.20
assi (resid   12 and name   O2) (resid  18 and name   N2)  2.90 0.30 0.30

assi (resid  13 and name   O4) (resid  17 and name HO2')  2.00 0.20 0.20
assi (resid  13 and name   O4) (resid  17 and name  O2')  2.90 0.30 0.30

!{* select all base atoms: *}
vector identity (store1) 
           (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2'' or name H5'' or name O2' or name H7# or
                name O3' or name C1' or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T or name HO2') )

!write coor output=test.pdb select=(store1) end stop !to test selection


!{* bases are kept flat *}
rest plan
   init
   group select  (store1 and (resi 1) )  weigh=300.0 end
   group select  (store1 and (resi 2) )  weigh=300.0 end
   group select  (store1 and (resi 3) )  weigh=300.0 end
   group select  (store1 and (resi 4) )  weigh=300.0 end
   group select  (store1 and (resi 5) )  weigh=300.0 end
   group select  (store1 and (resi 6) )  weigh=300.0 end
   group select  (store1 and (resi 7) )  weigh=300.0 end
   group select  (store1 and (resi 8) )  weigh=300.0 end
   group select  (store1 and (resi 9) )  weigh=300.0 end
   group select  (store1 and (resi 10))  weigh=300.0 end
   group select  (store1 and (resi 11))  weigh=300.0 end
   group select  (store1 and (resi 12))  weigh=300.0 end
   group select  (store1 and (resi 13))  weigh=300.0 end
   group select  (store1 and (resi 14))  weigh=300.0 end
   group select  (store1 and (resi 15))  weigh=300.0 end
   group select  (store1 and (resi 16))  weigh=300.0 end
   group select  (store1 and (resi 17))  weigh=300.0 end
   group select  (store1 and (resi 18))  weigh=300.0 end
   group select  (store1 and (resi 18))  weigh=300.0 end
   group select  (store1 and (resi 19))  weigh=300.0 end
   group select  (store1 and (resi 20))  weigh=300.0 end
   group select  (store1 and (resi 21))  weigh=300.0 end
   group select  (store1 and (resi 22))  weigh=300.0 end
   group select  (store1 and (resi 23))  weigh=300.0 end
   group select  (store1 and (resi 24))  weigh=300.0 end
   group select  (store1 and (resi 25))  weigh=300.0 end
   group select  (store1 and (resi 26))  weigh=300.0 end
   group select  (store1 and (resi 27))  weigh=300.0 end
   group select  (store1 and (resi 28))  weigh=300.0 end
   group select  (store1 and (resi 29))  weigh=300.0 end
   group select  (store1 and (resi 30))  weigh=300.0 end
   
!{* bases kept planar to one another *}
   group select ( (store1 and (resi 1 or resi 29) ) ) weigh=5.0 end
   group select ( (store1 and (resi 2 or resi 28) ) ) weigh=5.0 end
   group select ( (store1 and (resi 3 or resi 27) ) ) weigh=5.0 end
   group select ( (store1 and (resi 4 or resi 26) ) ) weigh=5.0 end
   group select ( (store1 and (resi 5 or resi 25) ) ) weigh=5.0 end
   group select ( (store1 and (resi 6 or resi 24) ) ) weigh=5.0 end
   group select ( (store1 and (resi 7 or resi 23) ) ) weigh=3.0 end
   group select ( (store1 and (resi 8 or resi 22) ) ) weigh=3.0 end
   group select ( (store1 and (resi 9 or resi 21) ) ) weigh=3.0 end
   group select ( (store1 and (resi 10 or resi 20) ) ) weigh=3.0 end
   group select ( (store1 and (resi 11 or resi 19) ) ) weigh=5.0 end
   group select ( (store1 and (resi 12 or resi 18) ) ) weigh=5.0 end

  

end
assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 1   and name H8  )
        ( resid 1   and name C8  )  36.0  3.6  3.6

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 2   and name H8  )
        ( resid 2   and name C8  )  35.1  3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 3   and name H8  )
        ( resid 3   and name C8  )  41.8  4.2  4.2 

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 6   and name H8  ) 
        ( resid 6   and name C8  )   43.6  4.3  4.3
  
assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 7   and name H6  )
        ( resid 7   and name C6  )   42.4  4.2  4.2

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 7   and name H5  )
        ( resid 7   and name C5  )   36.7  3.7  3.7

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 11  and name H6  )
        ( resid 11  and name C6  )   21.36  2.1  2.1 

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 14  and name H6  )
        ( resid 14  and name C6  )   29.9  3.0  3.0

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 16  and name H6  )
        ( resid 16  and name C6  )   36.7  3.7  3.7

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 16  and name H5  )
        ( resid 16  and name C5  )   18.5  1.9  1.9

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 17  and name H5  )
        ( resid 17  and name C5  )   17.9  1.8  1.8

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 19  and name H2  )
        ( resid 19  and name C2  )   21.4   2.2  2.2

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 25  and name H8  )
        ( resid 25  and name C8  )   35.50  3.6  3.6

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 25  and name H2  )
        ( resid 25  and name C2  )   48.6   4.9  4.9

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 26  and name H8  )
        ( resid 26  and name C8  )   38.6  3.9   3.9
assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 3   and name H1  )
        ( resid 3   and name N1  )  11.4   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 5   and name H3  )
        ( resid 5   and name N3  )  10.6   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 6   and name H1  )
        ( resid 6   and name N1  )   8.8   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 8   and name H3  )
        ( resid 8   and name N3  )  12.5   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 9   and name H3  )
        ( resid 9   and name N3  )  13.5   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 18  and name H1  )
        ( resid 18  and name N1  )   6.1   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 21  and name H3  )
        ( resid 21  and name N3  )  13.7   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 23  and name H3  )
        ( resid 23  and name N3  )  11.2   3.5  3.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 26  and name H1  )
        ( resid 26  and name N1  )  11.0   3.5  3.5
!stem alphas are already in htrhp.dihe

 assign (resi 12 and name O3'  )
        (resi 13 and name  P   )
        (resi 13 and name O5'  )
        (resi 13 and name C5'  )   15.0   0.0  150.0  2

 assign (resi 13 and name O3'  )
        (resi 14 and name  P   )
        (resi 14 and name O5'  )
        (resi 14 and name C5'  )   15.0   0.0  120.0  2

 assign (resi 14 and name O3'  )
        (resi 15 and name  P   )
        (resi 15 and name O5'  )
        (resi 15 and name C5'  )   15.0   0.0  150.0  2

 assign (resi 15 and name O3'  )
        (resi 16 and name  P   )
        (resi 16 and name O5'  )
        (resi 16 and name C5'  )   15.0   0.0  120.0  2

 assign (resi 16 and name O3'  )
        (resi 17 and name  P   )
        (resi 17 and name O5'  )
        (resi 17 and name C5'  )   15.0   0.0  120.0  2

 assign (resi 17 and name O3'  )
        (resi 18 and name  P   )
        (resi 18 and name O5'  )
        (resi 18 and name C5'  )   15.0   0.0  120.0  2

 
 assign (resi 2 and name  P   )
        (resi 2 and name O5'  )
        (resi 2 and name C5'  )
        (resi 2 and name C4'  )   10.0   180.0  30.0  2

 assign (resi 3 and name  P   )
        (resi 3 and name O5'  )
        (resi 3 and name C5'  )
        (resi 3 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 4 and name  P   )
        (resi 4 and name O5'  )
        (resi 4 and name C5'  )
        (resi 4 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 5 and name  P   )
        (resi 5 and name O5'  )
        (resi 5 and name C5'  )
        (resi 5 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 6 and name  P   )
        (resi 6 and name O5'  )
        (resi 6 and name C5'  )
        (resi 6 and name C4'  )   3.0   180.0  30.0  2

 assign (resi  10 and name P    )                        
        (resi  10 and name O5'  )                        
        (resi  10 and name C5'  )                        
        (resi  10 and name C4'  )   5.0   180.0   30.0  2 

 assign (resi  11 and name P    )                        
        (resi  11 and name O5'  )                        
        (resi  11 and name C5'  )                        
        (resi  11 and name C4'  )   5.0   180.0   30.0  2 

 assign (resi 12 and name P    )                        
        (resi 12 and name O5'  )                        
        (resi 12 and name C5'  )                        
        (resi 12 and name C4'  )   5.0   180.0   30.0  2 

 assign (resi 13 and name  P   )
        (resi 13 and name O5'  )
        (resi 13 and name C5'  )
        (resi 13 and name  C4' )   5.0   180.0  50.0  2 
 
 assign (resi 14 and name  P   )
        (resi 14 and name O5'  )
        (resi 14 and name C5'  )
        (resi 14 and name  C4' )   30.0   180.0  30.0  2 

 assign (resi 15 and name  P   )
        (resi 15 and name O5'  )
        (resi 15 and name C5'  )
        (resi 15 and name  C4' )   30.0   180.0  50.0  2 

 assign (resi 16 and name  P   )
        (resi 16 and name O5'  )
        (resi 16 and name C5'  )
        (resi 16 and name C4'  )   30.0   180.0   60.0  2

assign  (resi 17 and name  P   )
        (resi 17 and name O5'  )
        (resi 17 and name C5'  )
        (resi 17 and name C4'  )   3.0   180.0  65.0  2

 assign (resi 18 and name P    )                        
        (resi 18 and name O5'  )                        
        (resi 18 and name C5'  )                        
        (resi 18 and name C4'  )   15.0   180.0   30.0  2

 assign (resi 19 and name P    )                        
        (resi 19 and name O5'  )                        
        (resi 19 and name C5'  )                        
        (resi 19 and name C4'  )   5.0   180.0   30.0  2

 assign (resi 20 and name P    )                        
        (resi 20 and name O5'  )                        
        (resi 20 and name C5'  )                        
        (resi 20 and name C4'  )   5.0   180.0   30.0  2 

assign  (resi 24 and name  P   )
        (resi 24 and name O5'  )
        (resi 24 and name C5'  )
        (resi 24 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 25 and name  P   )
        (resi 25 and name O5'  )
        (resi 25 and name C5'  )
        (resi 25 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 26 and name  P   )
        (resi 26 and name O5'  )
        (resi 26 and name C5'  )
        (resi 26 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 27 and name  P   )
        (resi 27 and name O5'  )
        (resi 27 and name C5'  )
        (resi 27 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 28 and name  P   )
        (resi 28 and name O5'  )
        (resi 28 and name C5'  )
        (resi 28 and name C4'  )   3.0   180.0  30.0  2

 assign (resi 29 and name  P   )
        (resi 29 and name O5'  )
        (resi 29 and name C5'  )
        (resi 29 and name C4'  )   3.0   180.0  30.0  2



 assign (resi 1 and name C4'  )
        (resi 1 and name C3'  )
        (resi 1 and name O3'  )
        (resi 2 and name  P   )   3.0   -153.0  30.0  2 

 assign (resi 2 and name C4'  )
        (resi 2 and name C3'  )
        (resi 2 and name O3'  )
        (resi 3 and name  P   )   3.0   -131.0  30.0  2

 assign (resi 3 and name C4'  )
        (resi 3 and name C3'  )
        (resi 3 and name O3'  )
        (resi 4 and name  P   )   3.0   -153.0  30.0  2

 assign (resi 4 and name C4'  )
        (resi 4 and name C3'  )
        (resi 4 and name O3'  )
        (resi 5 and name  P   )   3.0   -153.0  30.0  2

 assign (resi 5 and name C4'  )
        (resi 5 and name C3'  )
        (resi 5 and name O3'  )
        (resi 6 and name  P   )   3.0   -156.0  30.0  2

 assign (resi 6 and name C4'  )
        (resi 6 and name C3'  )
        (resi 6 and name O3'  )
        (resi 7 and name  P   )   3.0   -126.0  30.0  2

 assign (resi 7 and name C4'  )
        (resi 7 and name C3'  )
        (resi 7 and name O3'  )
        (resi 8 and name  P   )   3.0   -140.0  30.0  2

assign (resi 8 and name C4'  )
        (resi 8 and name C3'  )
        (resi 8 and name O3'  )
        (resi 9 and name  P   )   3.0   -155.0  35.0  2 

assign (resi 9 and name C4'  )
        (resi 9 and name C3'  )
        (resi 9 and name O3'  )
        (resi 10 and name  P   )   5.0   -101.0  30.0  2

assign (resi 10 and name C4'  )
        (resi 10 and name C3'  )
        (resi 10 and name O3'  )
        (resi 11 and name  P   )   5.0   -142.0  30.0  2 

assign (resi 11 and name C4'  )
        (resi 11 and name C3'  )
        (resi 11 and name O3'  )
        (resi 12 and name  P   )   5.0   -136.0  30.0  2 
 
 assign (resi 12 and name C4'  )
        (resi 12 and name C3'  )
        (resi 12 and name O3'  )
        (resi 13 and name  P   )   10.0   -139.0   30.0  2

assign (resi 13 and name C4'  )
        (resi 13 and name C3'  )
        (resi 13 and name O3'  )
        (resi 14 and name  P   )   10.0   -160.0  30.0  2 

assign (resi 14 and name C4'  )
        (resi 14 and name C3'  )
        (resi 14 and name O3'  )
        (resi 15 and name  P   )   30.0   -127.0  30.0  2 

assign (resi 15 and name C4'  )
        (resi 15 and name C3'  )
        (resi 15 and name O3'  )
        (resi 16 and name  P   )   30.0    -80.0  30.0  2 

 assign (resi 16 and name C4'  )
        (resi 16 and name C3'  )
        (resi 16 and name O3'  )
        (resi 17 and name  P   )   30.0   -120.0   30.0  2

 assign (resi 17 and name C4'  )
        (resi 17 and name C3'  )
        (resi 17 and name O3'  )
        (resi 18 and name  P   )   30.0   -118.0   30.0  2

 assign (resi 18 and name C4'  )
        (resi 18 and name C3'  )
        (resi 18 and name O3'  )
        (resi 19 and name  P   )   5.0   -126.0  30.0  2

 assign (resi 19 and name C4'  )
       (resi 19 and name C3'  )
       (resi 19 and name O3'  )
       (resi 20 and name  P   )   5.0   -136.0  30.0  2

 assign (resi 20 and name C4'  )
       (resi 20 and name C3'  )
       (resi 20 and name O3'  )
       (resi 21 and name  P   )   5.0   -124.0  30.0  2

 assign (resi 21 and name C4'  )
        (resi 21 and name C3'  )
        (resi 21 and name O3'  )
        (resi 22 and name  P   )   3.0   -125.0   30.0  2

 assign (resi 22 and name C4'  )
        (resi 22 and name C3'  )
        (resi 22 and name O3'  )
        (resi 23 and name  P   )   3.0   -158.0   30.0  2

 assign (resi 23 and name C4'  )
        (resi 23 and name C3'  )
        (resi 23 and name O3'  )
        (resi 24 and name  P   )   3.0   -130.0  30.0  2

 assign (resi 24 and name C4'  )
       (resi 24 and name C3'  )
       (resi 24 and name O3'  )
       (resi 25 and name  P   )   3.0   -155.0  35.0  2

 assign (resi 25 and name C4'  )
       (resi 25 and name C3'  )
       (resi 25 and name O3'  )
       (resi 26 and name  P   )   3.0   -140.0  30.0  2

 assign (resi 26 and name C4'  )
        (resi 26 and name C3'  )
        (resi 26 and name O3'  )
        (resi 27 and name  P   )   3.0   -130.0   30.0  2

 assign (resi 27 and name C4'  )
        (resi 27 and name C3'  )
        (resi 27 and name O3'  )
        (resi 28 and name  P   )   3.0   -153.0   30.0  2

 assign (resi 28 and name C4'  )
        (resi 28 and name C3'  )
        (resi 28 and name O3'  )
        (resi 29 and name  P   )   3.0   -153.0  30.0  2

 assign (resi 29 and name C4'  )
       (resi 29 and name C3'  )
       (resi 29 and name O3'  )
       (resi 30 and name  P   )   10.0   -153.0  30.0  2
 assign (resi 1 and name O5'  )
        (resi 1 and name C5'  )
        (resi 1 and name C4'  )
        (resi 1 and name C3'  )   3.0  54.0  30.0  2 

 assign (resi 2 and name O5'  )
        (resi 2 and name C5'  )
        (resi 2 and name C4'  )
        (resi 2 and name C3'  )   10.0  54.0  30.0  2 
 
 assign (resi 3 and name O5'  )
        (resi 3 and name C5'  )
        (resi 3 and name C4'  )
        (resi 3 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 4 and name O5'  )
        (resi 4 and name C5'  )
        (resi 4 and name C4'  )
        (resi 4 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 5 and name O5'  )
        (resi 5 and name C5'  )
        (resi 5 and name C4'  )
        (resi 5 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 6 and name O5'  )
        (resi 6 and name C5'  )
        (resi 6 and name C4'  )
        (resi 6 and name C3'  )   3.0  54.0  30.0  2 

 assign (resi 10 and name O5'  )
        (resi 10 and name C5'  )
        (resi 10 and name C4'  )
        (resi 10 and name C3'  )   5.0  54.0  30.0  2 

 assign (resi 11 and name O5'  )
        (resi 11 and name C5'  )
        (resi 11 and name C4'  )
        (resi 11 and name C3'  )   5.0  54.0  30.0  2

 assign (resi 12 and name O5'  )
        (resi 12 and name C5'  )
        (resi 12 and name C4'  )
        (resi 12 and name C3'  )   15.0  54.0  30.0  2  

 assign (resi 14 and name O5'  )
        (resi 14 and name C5'  )
        (resi 14 and name C4'  )
        (resi 14 and name C3'  )   30.0  54.0  60.0  2

 assign (resi 16 and name O5'  )
        (resi 16 and name C5'  )
        (resi 16 and name C4'  )
        (resi 16 and name C3'  )   15.0  180.0  30.0  2

 assign (resi 18 and name O5'  )
        (resi 18 and name C5'  )
        (resi 18 and name C4'  )
        (resi 18 and name C3'  )   30.0  54.0  30.0  2 
 
 assign (resi 19 and name O5'  )
        (resi 19 and name C5'  )
        (resi 19 and name C4'  )
        (resi 19 and name C3'  )   5.0  54.0  30.0  2 

 assign (resi 20 and name O5'  )
        (resi 20 and name C5'  )
        (resi 20 and name C4'  )
        (resi 20 and name C3'  )   5.0  54.0  30.0  2 

 assign (resi 24 and name O5'  )
        (resi 24 and name C5'  )
        (resi 24 and name C4'  )
        (resi 24 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 25 and name O5'  )
        (resi 25 and name C5'  )
        (resi 25 and name C4'  )
        (resi 25 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 26 and name O5'  )
        (resi 26 and name C5'  )
        (resi 26 and name C4'  )
        (resi 26 and name C3'  )   3.0  54.0  30.0  2 
 
 assign (resi 27 and name O5'  )
        (resi 27 and name C5'  )
        (resi 27 and name C4'  )
        (resi 27 and name C3'  )   3.0   54.0  30.0  2 

 assign (resi 28 and name O5'  )
        (resi 28 and name C5'  )
        (resi 28 and name C4'  )
        (resi 28 and name C3'  )   3.0   54.0  30.0  2 
 
 assign (resi 29 and name O5'  )
        (resi 29 and name C5'  )
        (resi 29 and name C4'  )
        (resi 29 and name C3'  )   3.0  54.0  30.0  2 
assign  (resi   1 and name C5'  )
        (resi   1 and name C4'  )
        (resi   1 and name C3'  )
        (resi   1 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   2 and name C5'  )
        (resi   2 and name C4'  )
        (resi   2 and name C3'  )
        (resi   2 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   3 and name C5'  )
        (resi   3 and name C4'  )
        (resi   3 and name C3'  )
        (resi   3 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   4 and name C5'  )
        (resi   4 and name C4'  )
        (resi   4 and name C3'  )
        (resi   4 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   5 and name C5'  )
        (resi   5 and name C4'  )
        (resi   5 and name C3'  )
        (resi   5 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   6 and name C5'  )
        (resi   6 and name C4'  )
        (resi   6 and name C3'  )
        (resi   6 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   7 and name C5'  )
        (resi   7 and name C4'  )
        (resi   7 and name C3'  )
        (resi   7 and name O3'  )   5.0    82.0     20.0  2 {*delta*}

assign  (resi   8 and name C5'  )
        (resi   8 and name C4'  )
        (resi   8 and name C3'  )
        (resi   8 and name O3'  )   5.0    82.0     20.0  2 {*delta*}

assign  (resi   9 and name C5'  )
        (resi   9 and name C4'  )
        (resi   9 and name C3'  )
        (resi   9 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   10 and name C5'  )
        (resi   10 and name C4'  )
        (resi   10 and name C3'  )
        (resi   10 and name O3'  )   5.0     80.0    20.0  2 {*delta*}

assign  (resi   11 and name C5'  )
        (resi   11 and name C4'  )
        (resi   11 and name C3'  )
        (resi   11 and name O3'  )   5.0    120.0    60.0  2 {*delta*}

assign  (resi   12 and name C5'  )
        (resi   12 and name C4'  )
        (resi   12 and name C3'  )
        (resi   12 and name O3'  )   5.0     82.0    20.0  2 {*delta*}

assign  (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )
        (resi   13 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )
        (resi   14 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )
        (resi   15 and name O3'  )   10.0    145.0     30.0  2 {*delta*}

assign  (resi   16 and name C5'  )
        (resi   16 and name C4'  )
        (resi   16 and name C3'  )
        (resi   16 and name O3'  )   5.0    145.0     30.0  2 {*delta*}

assign  (resi   17 and name C5'  )
        (resi   17 and name C4'  )
        (resi   17 and name C3'  )
        (resi   17 and name O3'  )   5.0   145.0      30.0  2 {*delta*}

assign  (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )
        (resi   18 and name O3'  )   5.0   120.0      60.0  2 {*delta*}

assign  (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )
        (resi   19 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )
        (resi   20 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   21 and name C5'  )
        (resi   21 and name C4'  )
        (resi   21 and name C3'  )
        (resi   21 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   22 and name C5'  )
        (resi   22 and name C4'  )
        (resi   22 and name C3'  )
        (resi   22 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   23 and name C5'  )
        (resi   23 and name C4'  )
        (resi   23 and name C3'  )
        (resi   23 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   24 and name C5'  )
        (resi   24 and name C4'  )
        (resi   24 and name C3'  )
        (resi   24 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   25 and name C5'  )
        (resi   25 and name C4'  )
        (resi   25 and name C3'  )
        (resi   25 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   26 and name C5'  )
        (resi   26 and name C4'  )
        (resi   26 and name C3'  )
        (resi   26 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   27 and name C5'  )
        (resi   27 and name C4'  )
        (resi   27 and name C3'  )
        (resi   27 and name O3'  )   5.0    82.0      20.0  2 {*delta*}

assign  (resi   28 and name C5'  )
        (resi   28 and name C4'  )
        (resi   28 and name C3'  )
        (resi   28 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   29 and name C5'  )
        (resi   29 and name C4'  )
        (resi   29 and name C3'  )
        (resi   29 and name O3'  )   5.0     82.0     20.0  2 {*delta*}

assign  (resi   30 and name C5'  )
        (resi   30 and name C4'  )
        (resi   30 and name C3'  )
        (resi   30 and name O3'  )   5.0     82.0     20.0  2 {*delta*}
REMARKS restraints  dihedral

! chi dihedral restraints for HTRHP hairpin
! All chi angles are restrainted as "anti" or as "syn".

 Scale = 1.0

 assign (resi   1 and name O4'  )                        
        (resi   1 and name C1'  )                        
        (resi   1 and name N9   )                        
        (resi   1 and name C4   )	10.0	-160.0	30.0	2 ! anti
	      		                           
 assign (resi   2 and name O4'  )                        
        (resi   2 and name C1'  )                        
        (resi   2 and name N9   )                          
        (resi   2 and name C4   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   3 and name O4'  )                        
        (resi   3 and name C1'  )                        
        (resi   3 and name N9   )                          
        (resi   3 and name C4   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   4 and name O4'  )                        
        (resi   4 and name C1'  )                        
        (resi   4 and name N1   )                          
        (resi   4 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   5 and name O4'  )                        
        (resi   5 and name C1'  )                        
        (resi   5 and name N1   )                        
        (resi   5 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   6 and name O4'  )                        
        (resi   6 and name C1'  )                        
        (resi   6 and name N9   )                        
        (resi   6 and name C4   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   7 and name O4'  )                        
        (resi   7 and name C1'  )                        
        (resi   7 and name N1   )                        
        (resi   7 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   8 and name O4'  )                        
        (resi   8 and name C1'  )                        
        (resi   8 and name N1   )                        
        (resi   8 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi   9 and name O4'  )                        
        (resi   9 and name C1'  )                        
        (resi   9 and name N1   )                          
        (resi   9 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  10 and name O4'  )                        
        (resi  10 and name C1'  )                        
        (resi  10 and name N1   )                        
        (resi  10 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  11 and name O4'  )                        
        (resi  11 and name C1'  )                        
        (resi  11 and name N1   )                        
        (resi  11 and name C2   )	3.0	-160.0	30.0	2 ! anti
	      		                           
 assign (resi  12 and name O4'  )                        
        (resi  12 and name C1'  )                        
        (resi  12 and name N1   )                        
        (resi  12 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  13 and name O4'  )                        
        (resi  13 and name C1'  )                        
        (resi  13 and name N1   )                        
        (resi  13 and name C2   )	50.0	-160.0	30.0	2 ! anti

 assign (resi  14 and name O4'  )                        
        (resi  14 and name C1'  )                        
        (resi  14 and name N1   )                        
        (resi  14 and name C2   )	10.0	-160.0	30.0	2 ! anti

 assign (resi  15 and name O4'  )                        
        (resi  15 and name C1'  )                        
        (resi  15 and name N9   )                        
        (resi  15 and name C4   )	10.0	45.0	45.0	2 ! syn
	      		                           
 assign (resi  16 and name O4'  )                        
        (resi  16 and name C1'  )                        
        (resi  16 and name N1   )                        
        (resi  16 and name C2   )	30.0	-160.0	30.0	2 ! anti

 assign (resi  17 and name O4'  )                        
        (resi  17 and name C1'  )                        
        (resi  17 and name N1   )                        
        (resi  17 and name C2   )	10.0	-160.0	30.0	2 ! anti

 assign (resi  18 and name O4'  )                        
        (resi  18 and name C1'  )                        
        (resi  18 and name N9   )                        
        (resi  18 and name C4   )	50.0	-160.0	30.0	2 ! anti

 assign (resi  19 and name O4'  )                        
        (resi  19 and name C1'  )                        
        (resi  19 and name N9   )                        
        (resi  19 and name C4   )	50.0	-160.0	30.0	2 ! anti

 assign (resi  20 and name O4'  )                        
        (resi  20 and name C1'  )                        
        (resi  20 and name N1   )                        
        (resi  20 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  21 and name O4'  )                        
        (resi  21 and name C1'  )                        
        (resi  21 and name N1   )                        
        (resi  21 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  22 and name O4'  )                        
        (resi  22 and name C1'  )                        
        (resi  22 and name N1   )                        
        (resi  22 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  23 and name O4'  )                        
        (resi  23 and name C1'  )                        
        (resi  23 and name N1   )                        
        (resi  23 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  24 and name O4'  )                        
        (resi  24 and name C1'  )                        
        (resi  24 and name N1   )                        
        (resi  24 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  25 and name O4'  )                        
        (resi  25 and name C1'  )                        
        (resi  25 and name N9   )                        
        (resi  25 and name C4   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  26 and name O4'  )                        
        (resi  26 and name C1'  )                        
        (resi  26 and name N9   )                        
        (resi  26 and name C4   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  27 and name O4'  )                        
        (resi  27 and name C1'  )                        
        (resi  27 and name N1   )                        
        (resi  27 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  28 and name O4'  )                        
        (resi  28 and name C1'  )                        
        (resi  28 and name N1   )                        
        (resi  28 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  29 and name O4'  )                        
        (resi  29 and name C1'  )                        
        (resi  29 and name N1   )                        
        (resi  29 and name C2   )	3.0	-160.0	30.0	2 ! anti

 assign (resi  30 and name O4'  )                        
        (resi  30 and name C1'  )                        
        (resi  30 and name N1   )                        
        (resi  30 and name C2   )	3.0	-160.0	30.0	2 ! anti





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  38.451   1.623 -25.102
    2   2H5*    G   1          2H5*        G   1  39.432   2.820 -24.232
    3    H4*    G   1           H4*        G   1  37.074   2.986 -23.568
    4    H3*    G   1           H3*        G   1  39.204   2.176 -21.612
    5    H2*    G   1           H2*        G   1  37.628   1.604 -19.906
    6   2HO*    G   1          2HO*        G   1  35.548   2.761 -21.480
    7    H1*    G   1           H1*        G   1  35.764   0.360 -21.398
    8    H8     G   1           H8         G   1  39.467  -0.051 -22.433
    9    H1     G   1           H1         G   1  37.147  -4.814 -18.888
   10   1H2     G   1          1H2         G   1  35.099  -4.313 -18.192
   11   2H2     G   1          2H2         G   1  34.308  -2.807 -18.601
   12    H5T    G   1           H5T        G   1  40.407   1.275 -23.154
   13   1H5*    G   2          1H5*        G   2  36.590   4.033 -19.764
   14   2H5*    G   2          2H5*        G   2  36.878   5.181 -18.441
   15    H4*    G   2           H4*        G   2  35.799   3.173 -17.555
   16    H3*    G   2           H3*        G   2  38.658   3.765 -16.825
   17    H2*    G   2           H2*        G   2  39.006   1.673 -15.939
   18   2HO*    G   2          2HO*        G   2  36.949   2.384 -14.545
   19    H1*    G   2           H1*        G   2  36.684   0.330 -17.005
   20    H8     G   2           H8         G   2  39.637   1.309 -19.151
   21    H1     G   2           H1         G   2  40.505  -4.232 -16.123
   22   1H2     G   2          1H2         G   2  38.824  -4.592 -14.718
   23   2H2     G   2          2H2         G   2  37.499  -3.465 -14.531
   24   1H5*    G   3          1H5*        G   3  35.641   3.497 -13.032
   25   2H5*    G   3          2H5*        G   3  36.552   4.001 -11.594
   26    H4*    G   3           H4*        G   3  35.422   1.665 -11.565
   27    H3*    G   3           H3*        G   3  38.284   2.297 -10.785
   28    H2*    G   3           H2*        G   3  38.731   0.035 -10.420
   29   2HO*    G   3          2HO*        G   3  36.067  -0.819 -10.615
   30    H1*    G   3           H1*        G   3  37.170  -1.072 -12.394
   31    H8     G   3           H8         G   3  39.182   1.748 -13.773
   32    H1     G   3           H1         G   3  42.634  -3.549 -12.997
   33   1H2     G   3          1H2         G   3  41.511  -5.013 -11.772
   34   2H2     G   3          2H2         G   3  39.911  -4.682 -11.145
   35   1H5*    C   4          1H5*        C   4  36.215  -0.425  -8.466
   36   2H5*    C   4          2H5*        C   4  36.152  -0.086  -6.725
   37    H4*    C   4           H4*        C   4  36.567  -2.447  -6.996
   38    H3*    C   4           H3*        C   4  38.911  -0.760  -6.084
   39    H2*    C   4           H2*        C   4  40.309  -2.674  -6.044
   40   2HO*    C   4          2HO*        C   4  39.207  -4.812  -6.465
   41    H1*    C   4           H1*        C   4  39.443  -3.854  -8.343
   42   1H4     C   4          1H4         C   4  44.452  -0.376 -10.152
   43   2H4     C   4          2H4         C   4  43.464   1.058 -10.147
   44    H5     C   4           H5         C   4  41.212   1.102  -9.393
   45    H6     C   4           H6         C   4  39.366  -0.201  -8.473
   46   1H5*    U   5          1H5*        U   5  38.923  -4.048  -2.995
   47   2H5*    U   5          2H5*        U   5  40.044  -3.397  -1.783
   48    H4*    U   5           H4*        U   5  40.799  -5.364  -3.374
   49    H3*    U   5           H3*        U   5  42.426  -2.897  -2.628
   50    H2*    U   5           H2*        U   5  44.246  -3.896  -3.816
   51   2HO*    U   5          2HO*        U   5  42.750  -6.247  -4.317
   52    H1*    U   5           H1*        U   5  42.776  -4.728  -5.964
   53    H3     U   5           H3         U   5  45.379  -1.310  -7.434
   54    H5     U   5           H5         U   5  42.249   0.576  -5.379
   55    H6     U   5           H6         U   5  41.503  -1.599  -4.621
   56   1H5*    G   6          1H5*        G   6  44.270  -6.291  -2.223
   57   2H5*    G   6          2H5*        G   6  45.559  -6.610  -1.046
   58    H4*    G   6           H4*        G   6  46.296  -6.789  -3.444
   59    H3*    G   6           H3*        G   6  47.559  -4.737  -1.582
   60    H2*    G   6           H2*        G   6  49.074  -4.204  -3.331
   61   2HO*    G   6          2HO*        G   6  48.460  -6.793  -4.127
   62    H1*    G   6           H1*        G   6  47.262  -4.359  -5.402
   63    H8     G   6           H8         G   6  45.430  -2.416  -2.893
   64    H1     G   6           H1         G   6  50.415   0.912  -5.030
   65   1H2     G   6          1H2         G   6  51.751  -0.406  -6.220
   66   2H2     G   6          2H2         G   6  51.431  -2.108  -6.455
   67   1H5*    U   7          1H5*        U   7  50.312  -6.283  -3.074
   68   2H5*    U   7          2H5*        U   7  51.458  -7.407  -2.316
   69    H4*    U   7           H4*        U   7  53.030  -5.994  -3.165
   70    H3*    U   7           H3*        U   7  52.014  -4.549  -0.689
   71    H2*    U   7           H2*        U   7  53.424  -2.722  -1.241
   72   2HO*    U   7          2HO*        U   7  54.759  -3.305  -3.375
   73    H1*    U   7           H1*        U   7  52.949  -2.696  -3.915
   74    H3     U   7           H3         U   7  50.806   1.016  -2.595
   75    H5     U   7           H5         U   7  48.610  -2.048  -0.776
   76    H6     U   7           H6         U   7  50.230  -3.645  -1.605
   77   1H5*    U   8          1H5*        U   8  56.716  -4.518  -0.257
   78   2H5*    U   8          2H5*        U   8  56.856  -4.655   1.506
   79    H4*    U   8           H4*        U   8  58.066  -2.669   0.587
   80    H3*    U   8           H3*        U   8  55.713  -2.244   2.478
   81    H2*    U   8           H2*        U   8  56.184   0.077   2.426
   82   2HO*    U   8          2HO*        U   8  58.723  -0.840   1.736
   83    H1*    U   8           H1*        U   8  56.780   0.241  -0.264
   84    H3     U   8           H3         U   8  52.980   2.611   0.317
   85    H5     U   8           H5         U   8  51.746  -1.405   0.670
   86    H6     U   8           H6         U   8  54.085  -2.052   0.592
   87   1H5*    U   9          1H5*        U   9  59.510   0.108   3.192
   88   2H5*    U   9          2H5*        U   9  59.628   0.437   4.931
   89    H4*    U   9           H4*        U   9  59.731   2.447   3.285
   90    H3*    U   9           H3*        U   9  57.933   2.299   5.738
   91    H2*    U   9           H2*        U   9  57.269   4.531   5.292
   92   2HO*    U   9          2HO*        U   9  59.733   4.831   4.519
   93    H1*    U   9           H1*        U   9  57.149   4.293   2.533
   94    H3     U   9           H3         U   9  52.932   5.097   4.095
   95    H5     U   9           H5         U   9  53.605   0.995   4.814
   96    H6     U   9           H6         U   9  55.915   1.325   4.168
   97   1H5*    U  10          1H5*        U  10  61.083   5.418   7.322
   98   2H5*    U  10          2H5*        U  10  60.759   5.329   9.065
   99    H4*    U  10           H4*        U  10  60.156   7.516   7.721
  100    H3*    U  10           H3*        U  10  58.409   6.113   9.784
  101    H2*    U  10           H2*        U  10  56.844   7.866   9.527
  102   2HO*    U  10          2HO*        U  10  59.006   9.342   9.271
  103    H1*    U  10           H1*        U  10  57.226   8.267   6.788
  104    H3     U  10           H3         U  10  52.868   7.169   7.702
  105    H5     U  10           H5         U  10  54.941   3.504   7.560
  106    H6     U  10           H6         U  10  57.018   4.759   7.463
  107   1H5*    U  11          1H5*        U  11  58.709  10.408  11.302
  108   2H5*    U  11          2H5*        U  11  58.616  10.172  13.059
  109    H4*    U  11           H4*        U  11  56.779  11.617  11.996
  110    H3*    U  11           H3*        U  11  56.183   9.185  13.727
  111    H2*    U  11           H2*        U  11  53.887   9.753  13.558
  112   2HO*    U  11          2HO*        U  11  53.936  12.063  12.172
  113    H1*    U  11           H1*        U  11  53.924  10.566  10.921
  114    H3     U  11           H3         U  11  51.203   6.933  11.212
  115    H5     U  11           H5         U  11  55.110   5.359  11.296
  116    H6     U  11           H6         U  11  55.952   7.622  11.437
  117   1H5*    C  12          1H5*        C  12  53.928  12.586  15.438
  118   2H5*    C  12          2H5*        C  12  53.990  12.381  17.200
  119    H4*    C  12           H4*        C  12  51.656  12.493  16.345
  120    H3*    C  12           H3*        C  12  52.644   9.899  17.602
  121    H2*    C  12           H2*        C  12  50.447   9.043  17.390
  122   2HO*    C  12          2HO*        C  12  49.708  11.437  17.985
  123    H1*    C  12           H1*        C  12  49.885  10.175  14.915
  124   1H4     C  12          1H4         C  12  51.341   4.048  14.057
  125   2H4     C  12          2H4         C  12  53.040   4.392  14.248
  126    H5     C  12           H5         C  12  53.884   6.577  14.798
  127    H6     C  12           H6         C  12  53.278   8.874  15.319
  128   1H5*    U  13          1H5*        U  13  49.924   9.416  21.545
  129   2H5*    U  13          2H5*        U  13  51.131   8.117  21.504
  130    H4*    U  13           H4*        U  13  48.411   8.229  20.182
  131    H3*    U  13           H3*        U  13  49.819   6.541  22.220
  132    H2*    U  13           H2*        U  13  49.562   4.611  20.987
  133   2HO*    U  13          2HO*        U  13  47.025   4.776  20.125
  134    H1*    U  13           H1*        U  13  47.965   5.983  18.848
  135    H3     U  13           H3         U  13  48.746   1.819  17.124
  136    H5     U  13           H5         U  13  52.533   3.672  17.296
  137    H6     U  13           H6         U  13  51.517   5.497  18.511
  138   1H5*    C  14          1H5*        C  14  45.665   5.514  21.418
  139   2H5*    C  14          2H5*        C  14  44.693   5.371  22.897
  140    H4*    C  14           H4*        C  14  44.092   3.504  21.559
  141    H3*    C  14           H3*        C  14  46.045   2.851  23.785
  142    H2*    C  14           H2*        C  14  46.133   0.599  23.101
  143   2HO*    C  14          2HO*        C  14  44.418   0.137  21.252
  144    H1*    C  14           H1*        C  14  45.987   0.996  20.365
  145   1H4     C  14          1H4         C  14  52.117   0.016  21.786
  146   2H4     C  14          2H4         C  14  52.265   1.673  22.326
  147    H5     C  14           H5         C  14  50.390   3.194  22.454
  148    H6     C  14           H6         C  14  47.984   3.440  22.072
  149   1H5*    G  15          1H5*        G  15  44.442  -0.144  27.344
  150   2H5*    G  15          2H5*        G  15  45.631   1.030  26.741
  151    H4*    G  15           H4*        G  15  45.005  -1.513  25.220
  152    H3*    G  15           H3*        G  15  46.000  -1.710  27.773
  153    H2*    G  15           H2*        G  15  47.786  -0.117  27.401
  154   2HO*    G  15          2HO*        G  15  49.558  -1.901  26.610
  155    H1*    G  15           H1*        G  15  48.332  -1.589  24.807
  156    H8     G  15           H8         G  15  50.467  -0.527  23.956
  157    H1     G  15           H1         G  15  49.267   5.173  26.518
  158   1H2     G  15          1H2         G  15  47.327   5.125  27.586
  159   2H2     G  15          2H2         G  15  46.334   3.689  27.653
  160   1H5*    C  16          1H5*        C  16  44.403  -4.243  22.595
  161   2H5*    C  16          2H5*        C  16  45.708  -5.097  23.440
  162    H4*    C  16           H4*        C  16  45.902  -2.658  21.651
  163    H3*    C  16           H3*        C  16  46.552  -5.510  21.417
  164    H2*    C  16           H2*        C  16  48.821  -5.292  21.835
  165   2HO*    C  16          2HO*        C  16  48.718  -3.487  19.620
  166    H1*    C  16           H1*        C  16  48.808  -2.314  21.480
  167   1H4     C  16          1H4         C  16  53.974  -3.148  25.095
  168   2H4     C  16          2H4         C  16  53.140  -4.306  26.107
  169    H5     C  16           H5         C  16  50.861  -5.009  25.712
  170    H6     C  16           H6         C  16  48.902  -4.731  24.271
  171   1H5*    U  17          1H5*        U  17  46.181  -4.295  16.250
  172   2H5*    U  17          2H5*        U  17  47.694  -5.011  15.666
  173    H4*    U  17           H4*        U  17  47.052  -2.201  16.323
  174    H3*    U  17           H3*        U  17  48.704  -3.706  14.398
  175    H2*    U  17           H2*        U  17  50.734  -2.880  15.103
  176   2HO*    U  17          2HO*        U  17  50.427  -0.264  15.166
  177    H1*    U  17           H1*        U  17  49.578  -0.808  16.900
  178    H3     U  17           H3         U  17  54.225  -1.104  17.314
  179    H5     U  17           H5         U  17  52.517  -4.097  19.728
  180    H6     U  17           H6         U  17  50.379  -3.668  18.628
  181   1H5*    G  18          1H5*        G  18  44.480  -2.386  13.276
  182   2H5*    G  18          2H5*        G  18  44.259  -1.597  11.700
  183    H4*    G  18           H4*        G  18  42.719  -0.678  13.410
  184    H3*    G  18           H3*        G  18  44.721   0.995  11.964
  185    H2*    G  18           H2*        G  18  44.674   2.821  13.446
  186   2HO*    G  18          2HO*        G  18  42.138   1.762  14.216
  187    H1*    G  18           H1*        G  18  44.374   1.574  15.845
  188    H8     G  18           H8         G  18  46.713  -0.781  14.716
  189    H1     G  18           H1         G  18  49.553   4.899  14.677
  190   1H2     G  18          1H2         G  18  48.038   6.516  14.790
  191   2H2     G  18          2H2         G  18  46.322   6.193  14.881
  192   1H5*    A  19          1H5*        A  19  41.870   3.530  12.306
  193   2H5*    A  19          2H5*        A  19  40.679   3.680  10.998
  194    H4*    A  19           H4*        A  19  41.020   5.916  11.364
  195    H3*    A  19           H3*        A  19  43.236   5.003   9.509
  196    H2*    A  19           H2*        A  19  44.203   7.190   9.590
  197   2HO*    A  19          2HO*        A  19  41.757   8.004   9.942
  198    H1*    A  19           H1*        A  19  44.192   7.412  12.251
  199    H8     A  19           H8         A  19  44.361   3.749  11.326
  200   1H6     A  19          1H6         A  19  50.471   4.368  11.021
  201   2H6     A  19          2H6         A  19  49.143   3.229  11.010
  202    H2     A  19           H2         A  19  48.667   8.457  11.446
  203   1H5*    C  20          1H5*        C  20  42.287   8.569   8.209
  204   2H5*    C  20          2H5*        C  20  42.633   8.861   6.494
  205    H4*    C  20           H4*        C  20  44.182   9.996   8.208
  206    H3*    C  20           H3*        C  20  45.226   8.204   5.978
  207    H2*    C  20           H2*        C  20  47.403   8.896   6.612
  208   2HO*    C  20          2HO*        C  20  47.092  10.707   8.499
  209    H1*    C  20           H1*        C  20  46.865   8.990   9.364
  210   1H4     C  20          1H4         C  20  50.470   3.915   8.009
  211   2H4     C  20          2H4         C  20  49.021   2.932   8.059
  212    H5     C  20           H5         C  20  46.799   3.871   8.250
  213    H6     C  20           H6         C  20  45.496   5.942   8.413
  214   1H5*    U  21          1H5*        U  21  46.823  11.828   4.442
  215   2H5*    U  21          2H5*        U  21  47.017  11.636   2.688
  216    H4*    U  21           H4*        U  21  49.144  11.508   4.187
  217    H3*    U  21           H3*        U  21  48.347   9.609   1.968
  218    H2*    U  21           H2*        U  21  50.025   8.128   2.527
  219   2HO*    U  21          2HO*        U  21  52.039   8.817   2.752
  220    H1*    U  21           H1*        U  21  50.576   9.118   5.186
  221    H3     U  21           H3         U  21  51.037   4.564   5.081
  222    H5     U  21           H5         U  21  46.897   5.300   5.243
  223    H6     U  21           H6         U  21  47.375   7.650   4.825
  224   1H5*    U  22          1H5*        U  22  52.626  10.910   1.380
  225   2H5*    U  22          2H5*        U  22  52.926  11.023  -0.365
  226    H4*    U  22           H4*        U  22  54.567   9.553   0.796
  227    H3*    U  22           H3*        U  22  52.697   8.395  -1.299
  228    H2*    U  22           H2*        U  22  53.769   6.291  -1.041
  229   2HO*    U  22          2HO*        U  22  55.866   6.342  -0.794
  230    H1*    U  22           H1*        U  22  54.030   6.346   1.690
  231    H3     U  22           H3         U  22  50.946   3.130   0.824
  232    H5     U  22           H5         U  22  48.852   6.754   0.383
  233    H6     U  22           H6         U  22  50.970   7.910   0.609
  234   1H5*    U  23          1H5*        U  23  56.874   7.678  -2.399
  235   2H5*    U  23          2H5*        U  23  57.219   8.340  -4.009
  236    H4*    U  23           H4*        U  23  58.212   6.205  -4.068
  237    H3*    U  23           H3*        U  23  55.448   6.220  -5.312
  238    H2*    U  23           H2*        U  23  55.566   3.897  -5.675
  239   2HO*    U  23          2HO*        U  23  58.372   4.160  -5.242
  240    H1*    U  23           H1*        U  23  56.917   3.163  -3.410
  241    H3     U  23           H3         U  23  52.934   1.179  -2.732
  242    H5     U  23           H5         U  23  52.054   5.288  -2.415
  243    H6     U  23           H6         U  23  54.332   5.763  -3.112
  244   1H5*    C  24          1H5*        C  24  58.023   4.390  -8.753
  245   2H5*    C  24          2H5*        C  24  57.073   4.890 -10.166
  246    H4*    C  24           H4*        C  24  57.310   2.377  -9.836
  247    H3*    C  24           H3*        C  24  54.618   3.774 -10.028
  248    H2*    C  24           H2*        C  24  53.554   1.657  -9.898
  249   2HO*    C  24          2HO*        C  24  55.737   0.011  -9.840
  250    H1*    C  24           H1*        C  24  55.212   0.537  -8.007
  251   1H4     C  24          1H4         C  24  50.061   2.637  -4.911
  252   2H4     C  24          2H4         C  24  50.649   4.279  -5.011
  253    H5     C  24           H5         C  24  52.642   4.901  -6.196
  254    H6     C  24           H6         C  24  54.519   4.083  -7.541
  255   1H5*    A  25          1H5*        A  25  55.197   0.378 -12.254
  256   2H5*    A  25          2H5*        A  25  54.216   0.073 -13.702
  257    H4*    A  25           H4*        A  25  54.015  -1.519 -11.603
  258    H3*    A  25           H3*        A  25  51.817  -0.425 -13.370
  259    H2*    A  25           H2*        A  25  50.172  -1.322 -12.006
  260   2HO*    A  25          2HO*        A  25  51.813  -3.118 -10.625
  261    H1*    A  25           H1*        A  25  51.647  -1.437  -9.576
  262    H8     A  25           H8         A  25  51.373   2.037 -10.746
  263   1H6     A  25          1H6         A  25  45.731   2.203  -8.225
  264   2H6     A  25          2H6         A  25  47.024   3.178  -8.892
  265    H2     A  25           H2         A  25  47.064  -2.069  -8.446
  266   1H5*    G  26          1H5*        G  26  52.527  -5.477 -13.545
  267   2H5*    G  26          2H5*        G  26  51.230  -6.017 -14.628
  268    H4*    G  26           H4*        G  26  51.520  -7.201 -12.319
  269    H3*    G  26           H3*        G  26  48.924  -6.230 -13.555
  270    H2*    G  26           H2*        G  26  47.740  -7.042 -11.646
  271   2HO*    G  26          2HO*        G  26  49.809  -8.058 -10.188
  272    H1*    G  26           H1*        G  26  49.399  -6.079  -9.765
  273    H8     G  26           H8         G  26  49.645  -3.414 -12.164
  274    H1     G  26           H1         G  26  43.799  -3.474  -9.703
  275   1H2     G  26          1H2         G  26  43.426  -5.386  -8.650
  276   2H2     G  26          2H2         G  26  44.627  -6.656  -8.550
  277   1H5*    C  27          1H5*        C  27  48.414  -9.755 -12.116
  278   2H5*    C  27          2H5*        C  27  47.772 -11.107 -13.070
  279    H4*    C  27           H4*        C  27  46.435 -10.990 -11.094
  280    H3*    C  27           H3*        C  27  45.114  -9.838 -13.571
  281    H2*    C  27           H2*        C  27  43.165  -9.330 -12.263
  282   2HO*    C  27          2HO*        C  27  44.235 -11.282 -10.628
  283    H1*    C  27           H1*        C  27  44.435  -8.179 -10.218
  284   1H4     C  27          1H4         C  27  43.830  -3.312 -14.234
  285   2H4     C  27          2H4         C  27  45.302  -3.792 -15.044
  286    H5     C  27           H5         C  27  46.479  -5.827 -14.539
  287    H6     C  27           H6         C  27  46.517  -7.838 -13.170
  288   1H5*    C  28          1H5*        C  28  42.475 -11.740 -11.899
  289   2H5*    C  28          2H5*        C  28  41.344 -12.807 -12.754
  290    H4*    C  28           H4*        C  28  40.050 -11.007 -11.827
  291    H3*    C  28           H3*        C  28  40.574 -10.674 -14.815
  292    H2*    C  28           H2*        C  28  39.071  -8.819 -14.730
  293   2HO*    C  28          2HO*        C  28  38.371  -9.828 -12.149
  294    H1*    C  28           H1*        C  28  40.024  -7.789 -12.363
  295   1H4     C  28          1H4         C  28  42.886  -4.593 -17.057
  296   2H4     C  28          2H4         C  28  44.123  -5.826 -17.144
  297    H5     C  28           H5         C  28  44.034  -7.877 -15.860
  298    H6     C  28           H6         C  28  42.741  -9.178 -14.275
  299   1H5*    C  29          1H5*        C  29  36.419 -10.909 -13.643
  300   2H5*    C  29          2H5*        C  29  35.572 -12.234 -14.466
  301    H4*    C  29           H4*        C  29  34.030 -10.394 -14.319
  302    H3*    C  29           H3*        C  29  35.226 -10.951 -17.038
  303    H2*    C  29           H2*        C  29  34.160  -9.068 -17.982
  304   2HO*    C  29          2HO*        C  29  32.693  -8.032 -16.023
  305    H1*    C  29           H1*        C  29  34.533  -7.292 -15.980
  306   1H4     C  29          1H4         C  29  39.543  -6.325 -19.739
  307   2H4     C  29          2H4         C  29  40.199  -7.901 -19.363
  308    H5     C  29           H5         C  29  39.075  -9.496 -17.961
  309    H6     C  29           H6         C  29  37.089  -9.918 -16.582
  310   1H5*    C  30          1H5*        C  30  31.268  -9.371 -17.588
  311   2H5*    C  30          2H5*        C  30  30.725  -9.898 -19.193
  312    H4*    C  30           H4*        C  30  31.270  -7.385 -18.853
  313    H3*    C  30           H3*        C  30  32.457  -9.067 -21.082
  314    H2*    C  30           H2*        C  30  33.370  -7.097 -21.959
  315   2HO*    C  30          2HO*        C  30  32.635  -5.004 -21.096
  316    H1*    C  30           H1*        C  30  33.858  -5.876 -19.470
  317   1H4     C  30          1H4         C  30  39.511  -7.625 -21.801
  318   2H4     C  30          2H4         C  30  39.132  -9.311 -21.531
  319    H5     C  30           H5         C  30  36.991 -10.063 -20.716
  320    H6     C  30           H6         C  30  34.765  -9.384 -20.000
  321    H3T    C  30           H3T        C  30  30.064  -7.793 -20.528
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  41.308   3.369 -23.399
    2   2H5*    G   1          2H5*        G   1  40.971   4.637 -22.203
    3    H4*    G   1           H4*        G   1  38.840   3.927 -22.979
    4    H3*    G   1           H3*        G   1  39.661   2.943 -20.263
    5    H2*    G   1           H2*        G   1  37.839   1.415 -20.087
    6   2HO*    G   1          2HO*        G   1  36.733   2.834 -22.316
    7    H1*    G   1           H1*        G   1  37.846   0.400 -22.577
    8    H8     G   1           H8         G   1  41.358   1.351 -21.382
    9    H1     G   1           H1         G   1  39.573  -4.538 -19.707
   10   1H2     G   1          1H2         G   1  37.428  -4.843 -20.181
   11   2H2     G   1          2H2         G   1  36.439  -3.598 -20.910
   12    H5T    G   1           H5T        G   1  42.548   2.913 -21.653
   13   1H5*    G   2          1H5*        G   2  36.447   3.422 -19.374
   14   2H5*    G   2          2H5*        G   2  35.768   4.621 -18.254
   15    H4*    G   2           H4*        G   2  35.290   2.746 -17.026
   16    H3*    G   2           H3*        G   2  38.141   3.520 -16.402
   17    H2*    G   2           H2*        G   2  38.557   1.502 -15.358
   18   2HO*    G   2          2HO*        G   2  36.569   0.382 -14.389
   19    H1*    G   2           H1*        G   2  36.328   0.007 -16.441
   20    H8     G   2           H8         G   2  39.309   1.133 -18.486
   21    H1     G   2           H1         G   2  40.178  -4.509 -15.656
   22   1H2     G   2          1H2         G   2  38.443  -4.967 -14.351
   23   2H2     G   2          2H2         G   2  37.083  -3.882 -14.180
   24   1H5*    G   3          1H5*        G   3  35.112   3.333 -12.740
   25   2H5*    G   3          2H5*        G   3  35.838   4.007 -11.267
   26    H4*    G   3           H4*        G   3  34.901   1.643 -11.061
   27    H3*    G   3           H3*        G   3  37.738   2.434 -10.347
   28    H2*    G   3           H2*        G   3  38.295   0.226  -9.859
   29   2HO*    G   3          2HO*        G   3  36.251  -1.289  -9.777
   30    H1*    G   3           H1*        G   3  36.684  -1.081 -11.690
   31    H8     G   3           H8         G   3  38.737   1.694 -13.193
   32    H1     G   3           H1         G   3  42.016  -3.718 -12.417
   33   1H2     G   3          1H2         G   3  40.843  -5.144 -11.188
   34   2H2     G   3          2H2         G   3  39.255  -4.756 -10.563
   35   1H5*    C   4          1H5*        C   4  35.847  -0.069  -7.938
   36   2H5*    C   4          2H5*        C   4  35.510   0.357  -6.249
   37    H4*    C   4           H4*        C   4  36.094  -1.912  -6.112
   38    H3*    C   4           H3*        C   4  38.489  -0.130  -5.566
   39    H2*    C   4           H2*        C   4  39.829  -2.072  -5.237
   40   2HO*    C   4          2HO*        C   4  37.337  -3.465  -5.184
   41    H1*    C   4           H1*        C   4  38.937  -3.483  -7.368
   42   1H4     C   4          1H4         C   4  43.896  -0.158  -9.600
   43   2H4     C   4          2H4         C   4  42.915   1.279  -9.660
   44    H5     C   4           H5         C   4  40.688   1.384  -8.857
   45    H6     C   4           H6         C   4  38.850   0.158  -7.817
   46   1H5*    U   5          1H5*        U   5  38.434  -3.056  -2.186
   47   2H5*    U   5          2H5*        U   5  39.599  -2.405  -1.016
   48    H4*    U   5           H4*        U   5  40.218  -4.543  -2.408
   49    H3*    U   5           H3*        U   5  42.005  -2.124  -1.921
   50    H2*    U   5           H2*        U   5  43.749  -3.331  -3.033
   51   2HO*    U   5          2HO*        U   5  42.350  -5.622  -3.621
   52    H1*    U   5           H1*        U   5  42.226  -4.205  -5.108
   53    H3     U   5           H3         U   5  44.869  -0.955  -6.834
   54    H5     U   5           H5         U   5  41.861   1.140  -4.795
   55    H6     U   5           H6         U   5  41.077  -0.966  -3.897
   56   1H5*    G   6          1H5*        G   6  43.644  -5.526  -1.261
   57   2H5*    G   6          2H5*        G   6  44.913  -5.862  -0.067
   58    H4*    G   6           H4*        G   6  45.667  -6.231  -2.421
   59    H3*    G   6           H3*        G   6  46.978  -4.083  -0.710
   60    H2*    G   6           H2*        G   6  48.502  -3.682  -2.484
   61   2HO*    G   6          2HO*        G   6  47.531  -6.054  -3.748
   62    H1*    G   6           H1*        G   6  46.704  -3.960  -4.562
   63    H8     G   6           H8         G   6  44.921  -1.817  -2.161
   64    H1     G   6           H1         G   6  49.880   1.289  -4.647
   65   1H2     G   6          1H2         G   6  51.178  -0.122  -5.767
   66   2H2     G   6          2H2         G   6  50.844  -1.836  -5.864
   67   1H5*    U   7          1H5*        U   7  49.650  -5.823  -2.048
   68   2H5*    U   7          2H5*        U   7  50.795  -6.943  -1.284
   69    H4*    U   7           H4*        U   7  52.385  -5.596  -2.189
   70    H3*    U   7           H3*        U   7  51.405  -4.012   0.211
   71    H2*    U   7           H2*        U   7  52.791  -2.220  -0.441
   72   2HO*    U   7          2HO*        U   7  54.729  -2.788  -1.078
   73    H1*    U   7           H1*        U   7  52.417  -2.403  -3.153
   74    H3     U   7           H3         U   7  50.392   1.502  -2.218
   75    H5     U   7           H5         U   7  48.103  -1.286  -0.114
   76    H6     U   7           H6         U   7  49.654  -3.016  -0.787
   77   1H5*    U   8          1H5*        U   8  56.241  -4.325   0.383
   78   2H5*    U   8          2H5*        U   8  56.454  -4.312   2.144
   79    H4*    U   8           H4*        U   8  57.873  -2.624   0.936
   80    H3*    U   8           H3*        U   8  55.795  -1.738   2.977
   81    H2*    U   8           H2*        U   8  56.603   0.493   2.706
   82   2HO*    U   8          2HO*        U   8  58.484   0.672   1.092
   83    H1*    U   8           H1*        U   8  56.720   0.452  -0.012
   84    H3     U   8           H3         U   8  53.115   2.991   1.094
   85    H5     U   8           H5         U   8  51.781  -0.990   1.475
   86    H6     U   8           H6         U   8  54.077  -1.717   1.154
   87   1H5*    U   9          1H5*        U   9  59.294   0.634   3.203
   88   2H5*    U   9          2H5*        U   9  59.541   1.115   4.893
   89    H4*    U   9           H4*        U   9  59.085   2.978   3.140
   90    H3*    U   9           H3*        U   9  57.571   2.699   5.770
   91    H2*    U   9           H2*        U   9  56.494   4.736   5.255
   92   2HO*    U   9          2HO*        U   9  58.816   5.151   3.731
   93    H1*    U   9           H1*        U   9  56.395   4.347   2.470
   94    H3     U   9           H3         U   9  52.171   5.027   4.143
   95    H5     U   9           H5         U   9  53.024   0.941   4.762
   96    H6     U   9           H6         U   9  55.311   1.390   4.138
   97   1H5*    U  10          1H5*        U  10  60.324   6.348   6.979
   98   2H5*    U  10          2H5*        U  10  60.109   6.287   8.740
   99    H4*    U  10           H4*        U  10  59.130   8.321   7.447
  100    H3*    U  10           H3*        U  10  57.526   6.642   9.427
  101    H2*    U  10           H2*        U  10  55.803   8.256   9.178
  102   2HO*    U  10          2HO*        U  10  57.864   9.884   8.069
  103    H1*    U  10           H1*        U  10  56.169   8.663   6.448
  104    H3     U  10           H3         U  10  51.976   7.069   7.225
  105    H5     U  10           H5         U  10  54.465   3.685   7.542
  106    H6     U  10           H6         U  10  56.384   5.166   7.370
  107   1H5*    U  11          1H5*        U  11  57.426  11.052  10.978
  108   2H5*    U  11          2H5*        U  11  57.346  10.775  12.729
  109    H4*    U  11           H4*        U  11  55.469  12.192  11.664
  110    H3*    U  11           H3*        U  11  55.016   9.791  13.474
  111    H2*    U  11           H2*        U  11  52.676  10.192  13.333
  112   2HO*    U  11          2HO*        U  11  53.457  12.741  12.325
  113    H1*    U  11           H1*        U  11  52.575  10.801  10.673
  114    H3     U  11           H3         U  11  50.459   6.806  11.325
  115    H5     U  11           H5         U  11  54.562   5.866  11.204
  116    H6     U  11           H6         U  11  55.040   8.238  11.165
  117   1H5*    C  12          1H5*        C  12  53.053  12.965  15.442
  118   2H5*    C  12          2H5*        C  12  53.250  12.932  17.206
  119    H4*    C  12           H4*        C  12  50.886  12.741  16.677
  120    H3*    C  12           H3*        C  12  52.220  10.182  17.652
  121    H2*    C  12           H2*        C  12  50.086   9.154  17.630
  122   2HO*    C  12          2HO*        C  12  48.363  10.273  18.144
  123    H1*    C  12           H1*        C  12  49.157  10.367  15.307
  124   1H4     C  12          1H4         C  12  50.964   4.424  13.940
  125   2H4     C  12          2H4         C  12  52.643   4.892  13.978
  126    H5     C  12           H5         C  12  53.378   7.097  14.561
  127    H6     C  12           H6         C  12  52.665   9.323  15.251
  128   1H5*    U  13          1H5*        U  13  50.952   7.948  20.985
  129   2H5*    U  13          2H5*        U  13  51.248   8.219  19.256
  130    H4*    U  13           H4*        U  13  48.385   8.135  19.762
  131    H3*    U  13           H3*        U  13  50.073   5.869  20.901
  132    H2*    U  13           H2*        U  13  48.466   4.349  20.083
  133   2HO*    U  13          2HO*        U  13  46.533   6.228  19.378
  134    H1*    U  13           H1*        U  13  47.706   5.853  17.811
  135    H3     U  13           H3         U  13  49.016   1.388  17.215
  136    H5     U  13           H5         U  13  52.347   3.854  16.426
  137    H6     U  13           H6         U  13  51.121   5.708  17.365
  138   1H5*    C  14          1H5*        C  14  46.373   4.849  21.407
  139   2H5*    C  14          2H5*        C  14  45.956   4.383  23.067
  140    H4*    C  14           H4*        C  14  45.368   2.597  21.498
  141    H3*    C  14           H3*        C  14  47.620   2.121  23.477
  142    H2*    C  14           H2*        C  14  47.926  -0.061  22.628
  143   2HO*    C  14          2HO*        C  14  45.322   0.314  21.526
  144    H1*    C  14           H1*        C  14  47.542   0.508  19.961
  145   1H4     C  14          1H4         C  14  53.835   0.470  20.932
  146   2H4     C  14          2H4         C  14  53.755   2.094  21.578
  147    H5     C  14           H5         C  14  51.679   3.278  21.926
  148    H6     C  14           H6         C  14  49.237   3.145  21.721
  149   1H5*    G  15          1H5*        G  15  46.877  -0.590  27.403
  150   2H5*    G  15          2H5*        G  15  47.825   0.479  26.350
  151    H4*    G  15           H4*        G  15  47.049  -2.271  25.383
  152    H3*    G  15           H3*        G  15  48.352  -2.215  27.758
  153    H2*    G  15           H2*        G  15  49.942  -0.518  27.076
  154   2HO*    G  15          2HO*        G  15  51.859  -2.081  26.382
  155    H1*    G  15           H1*        G  15  50.487  -2.150  24.590
  156    H8     G  15           H8         G  15  52.302  -0.824  23.405
  157    H1     G  15           H1         G  15  50.359   4.796  25.681
  158   1H2     G  15          1H2         G  15  48.583   4.512  26.976
  159   2H2     G  15          2H2         G  15  47.884   2.938  27.274
  160   1H5*    C  16          1H5*        C  16  46.074  -4.602  23.002
  161   2H5*    C  16          2H5*        C  16  47.536  -5.508  23.443
  162    H4*    C  16           H4*        C  16  47.320  -2.897  21.920
  163    H3*    C  16           H3*        C  16  48.006  -5.687  21.296
  164    H2*    C  16           H2*        C  16  50.299  -5.370  21.232
  165   2HO*    C  16          2HO*        C  16  50.413  -5.003  19.134
  166    H1*    C  16           H1*        C  16  50.095  -2.374  21.220
  167   1H4     C  16          1H4         C  16  55.927  -3.395  23.589
  168   2H4     C  16          2H4         C  16  55.299  -4.561  24.731
  169    H5     C  16           H5         C  16  52.972  -5.231  24.798
  170    H6     C  16           H6         C  16  50.771  -4.893  23.805
  171   1H5*    U  17          1H5*        U  17  46.899  -4.395  16.254
  172   2H5*    U  17          2H5*        U  17  48.386  -5.125  15.618
  173    H4*    U  17           H4*        U  17  47.769  -2.290  16.241
  174    H3*    U  17           H3*        U  17  49.254  -3.839  14.203
  175    H2*    U  17           H2*        U  17  51.327  -2.964  14.714
  176   2HO*    U  17          2HO*        U  17  50.892  -0.333  14.757
  177    H1*    U  17           H1*        U  17  50.262  -0.867  16.552
  178    H3     U  17           H3         U  17  54.910  -0.885  16.654
  179    H5     U  17           H5         U  17  53.605  -4.036  19.115
  180    H6     U  17           H6         U  17  51.353  -3.716  18.217
  181   1H5*    G  18          1H5*        G  18  45.028  -2.907  13.279
  182   2H5*    G  18          2H5*        G  18  44.612  -2.074  11.767
  183    H4*    G  18           H4*        G  18  43.092  -1.464  13.639
  184    H3*    G  18           H3*        G  18  44.707   0.511  12.098
  185    H2*    G  18           H2*        G  18  44.541   2.274  13.641
  186   2HO*    G  18          2HO*        G  18  42.773   2.585  14.844
  187    H1*    G  18           H1*        G  18  44.594   0.944  16.018
  188    H8     G  18           H8         G  18  47.154  -1.025  14.602
  189    H1     G  18           H1         G  18  49.171   4.998  14.629
  190   1H2     G  18          1H2         G  18  47.461   6.379  14.956
  191   2H2     G  18          2H2         G  18  45.820   5.810  15.168
  192   1H5*    A  19          1H5*        A  19  41.728   2.764  12.761
  193   2H5*    A  19          2H5*        A  19  40.423   2.748  11.558
  194    H4*    A  19           H4*        A  19  40.547   5.016  11.840
  195    H3*    A  19           H3*        A  19  42.667   4.260   9.823
  196    H2*    A  19           H2*        A  19  43.502   6.490   9.792
  197   2HO*    A  19          2HO*        A  19  42.101   7.833  11.553
  198    H1*    A  19           H1*        A  19  43.668   6.810  12.437
  199    H8     A  19           H8         A  19  43.992   3.136  11.542
  200   1H6     A  19          1H6         A  19  50.044   4.099  11.050
  201   2H6     A  19          2H6         A  19  48.782   2.887  11.087
  202    H2     A  19           H2         A  19  48.023   8.085  11.500
  203   1H5*    C  20          1H5*        C  20  41.439   7.839   8.460
  204   2H5*    C  20          2H5*        C  20  41.748   7.981   6.719
  205    H4*    C  20           H4*        C  20  43.276   9.296   8.370
  206    H3*    C  20           H3*        C  20  44.312   7.510   6.130
  207    H2*    C  20           H2*        C  20  46.469   8.354   6.636
  208   2HO*    C  20          2HO*        C  20  45.728  10.585   6.741
  209    H1*    C  20           H1*        C  20  46.048   8.502   9.411
  210   1H4     C  20          1H4         C  20  49.968   3.666   8.059
  211   2H4     C  20          2H4         C  20  48.599   2.580   8.192
  212    H5     C  20           H5         C  20  46.313   3.360   8.436
  213    H6     C  20           H6         C  20  44.866   5.339   8.589
  214   1H5*    U  21          1H5*        U  21  45.546  11.218   4.491
  215   2H5*    U  21          2H5*        U  21  45.689  11.059   2.729
  216    H4*    U  21           H4*        U  21  47.877  11.087   4.130
  217    H3*    U  21           H3*        U  21  47.118   9.155   1.937
  218    H2*    U  21           H2*        U  21  48.822   7.703   2.469
  219   2HO*    U  21          2HO*        U  21  50.177  10.065   2.424
  220    H1*    U  21           H1*        U  21  49.528   8.856   5.059
  221    H3     U  21           H3         U  21  50.366   4.373   5.204
  222    H5     U  21           H5         U  21  46.177   4.725   5.368
  223    H6     U  21           H6         U  21  46.430   7.092   4.864
  224   1H5*    U  22          1H5*        U  22  51.350  11.306   0.718
  225   2H5*    U  22          2H5*        U  22  51.414  10.955  -1.020
  226    H4*    U  22           H4*        U  22  53.414  10.199   0.451
  227    H3*    U  22           H3*        U  22  51.932   8.477  -1.564
  228    H2*    U  22           H2*        U  22  53.401   6.676  -1.068
  229   2HO*    U  22          2HO*        U  22  55.043   8.758  -0.176
  230    H1*    U  22           H1*        U  22  53.475   6.991   1.641
  231    H3     U  22           H3         U  22  51.111   3.222   0.355
  232    H5     U  22           H5         U  22  48.327   6.366   0.634
  233    H6     U  22           H6         U  22  50.197   7.889   0.848
  234   1H5*    U  23          1H5*        U  23  56.023   8.121  -2.506
  235   2H5*    U  23          2H5*        U  23  56.367   8.837  -4.093
  236    H4*    U  23           H4*        U  23  57.521   6.817  -4.233
  237    H3*    U  23           H3*        U  23  54.738   6.538  -5.387
  238    H2*    U  23           H2*        U  23  55.048   4.220  -5.713
  239   2HO*    U  23          2HO*        U  23  56.944   3.747  -6.533
  240    H1*    U  23           H1*        U  23  56.401   3.625  -3.438
  241    H3     U  23           H3         U  23  52.434   1.650  -2.619
  242    H5     U  23           H5         U  23  51.559   5.772  -2.410
  243    H6     U  23           H6         U  23  53.819   6.227  -3.159
  244   1H5*    C  24          1H5*        C  24  57.327   4.657  -8.393
  245   2H5*    C  24          2H5*        C  24  56.614   4.986  -9.985
  246    H4*    C  24           H4*        C  24  56.734   2.546  -9.469
  247    H3*    C  24           H3*        C  24  54.045   3.907  -9.855
  248    H2*    C  24           H2*        C  24  52.967   1.820  -9.567
  249   2HO*    C  24          2HO*        C  24  55.155   0.174  -9.377
  250    H1*    C  24           H1*        C  24  54.612   0.820  -7.581
  251   1H4     C  24          1H4         C  24  49.430   3.005  -4.613
  252   2H4     C  24          2H4         C  24  49.935   4.657  -4.883
  253    H5     C  24           H5         C  24  51.889   5.250  -6.155
  254    H6     C  24           H6         C  24  53.787   4.388  -7.443
  255   1H5*    A  25          1H5*        A  25  54.653   0.328 -11.858
  256   2H5*    A  25          2H5*        A  25  53.664  -0.033 -13.286
  257    H4*    A  25           H4*        A  25  53.430  -1.514 -11.118
  258    H3*    A  25           H3*        A  25  51.237  -0.441 -12.906
  259    H2*    A  25           H2*        A  25  49.592  -1.251 -11.486
  260   2HO*    A  25          2HO*        A  25  50.536  -2.995  -9.858
  261    H1*    A  25           H1*        A  25  51.103  -1.291  -9.073
  262    H8     A  25           H8         A  25  50.851   2.133 -10.423
  263   1H6     A  25          1H6         A  25  45.298   2.538  -7.758
  264   2H6     A  25          2H6         A  25  46.585   3.444  -8.523
  265    H2     A  25           H2         A  25  46.565  -1.776  -7.755
  266   1H5*    G  26          1H5*        G  26  51.893  -5.458 -12.830
  267   2H5*    G  26          2H5*        G  26  50.626  -6.069 -13.910
  268    H4*    G  26           H4*        G  26  50.883  -7.164 -11.567
  269    H3*    G  26           H3*        G  26  48.308  -6.243 -12.866
  270    H2*    G  26           H2*        G  26  47.080  -6.912 -10.941
  271   2HO*    G  26          2HO*        G  26  49.397  -8.089  -9.792
  272    H1*    G  26           H1*        G  26  48.781  -5.977  -9.046
  273    H8     G  26           H8         G  26  49.033  -3.360 -11.506
  274    H1     G  26           H1         G  26  43.239  -3.232  -8.937
  275   1H2     G  26          1H2         G  26  42.850  -5.100  -7.817
  276   2H2     G  26          2H2         G  26  44.026  -6.393  -7.700
  277   1H5*    C  27          1H5*        C  27  47.792  -9.572 -11.428
  278   2H5*    C  27          2H5*        C  27  47.501 -11.127 -12.234
  279    H4*    C  27           H4*        C  27  45.811 -11.142 -10.644
  280    H3*    C  27           H3*        C  27  44.755  -9.851 -13.181
  281    H2*    C  27           H2*        C  27  42.649  -9.492 -12.077
  282   2HO*    C  27          2HO*        C  27  42.018 -10.779 -10.513
  283    H1*    C  27           H1*        C  27  43.641  -8.460  -9.831
  284   1H4     C  27          1H4         C  27  43.231  -3.382 -13.617
  285   2H4     C  27          2H4         C  27  44.777  -3.777 -14.332
  286    H5     C  27           H5         C  27  45.982  -5.795 -13.832
  287    H6     C  27           H6         C  27  45.992  -7.861 -12.542
  288   1H5*    C  28          1H5*        C  28  42.170 -11.992 -11.987
  289   2H5*    C  28          2H5*        C  28  41.179 -13.172 -12.869
  290    H4*    C  28           H4*        C  28  39.635 -11.526 -12.166
  291    H3*    C  28           H3*        C  28  40.537 -11.042 -15.034
  292    H2*    C  28           H2*        C  28  39.001  -9.229 -15.130
  293   2HO*    C  28          2HO*        C  28  37.931 -10.287 -12.696
  294    H1*    C  28           H1*        C  28  39.505  -8.241 -12.607
  295   1H4     C  28          1H4         C  28  42.969  -4.823 -16.720
  296   2H4     C  28          2H4         C  28  44.228  -6.037 -16.677
  297    H5     C  28           H5         C  28  44.007  -8.124 -15.483
  298    H6     C  28           H6         C  28  42.544  -9.500 -14.123
  299   1H5*    C  29          1H5*        C  29  36.496 -11.284 -15.645
  300   2H5*    C  29          2H5*        C  29  36.043 -12.789 -16.471
  301    H4*    C  29           H4*        C  29  34.938 -11.282 -17.822
  302    H3*    C  29           H3*        C  29  37.782 -11.499 -18.874
  303    H2*    C  29           H2*        C  29  37.265  -9.886 -20.517
  304   2HO*    C  29          2HO*        C  29  34.671 -10.812 -20.067
  305    H1*    C  29           H1*        C  29  35.633  -8.279 -18.984
  306   1H4     C  29          1H4         C  29  41.157  -5.177 -19.020
  307   2H4     C  29          2H4         C  29  41.996  -6.541 -18.316
  308    H5     C  29           H5         C  29  40.921  -8.629 -17.808
  309    H6     C  29           H6         C  29  38.806  -9.867 -17.842
  310   1H5*    C  30          1H5*        C  30  34.722 -11.193 -22.102
  311   2H5*    C  30          2H5*        C  30  35.519 -11.653 -23.620
  312    H4*    C  30           H4*        C  30  34.805  -9.173 -23.308
  313    H3*    C  30           H3*        C  30  37.600 -10.031 -24.127
  314    H2*    C  30           H2*        C  30  38.090  -7.765 -24.491
  315   2HO*    C  30          2HO*        C  30  35.480  -6.837 -24.083
  316    H1*    C  30           H1*        C  30  36.572  -6.803 -22.337
  317   1H4     C  30          1H4         C  30  42.667  -6.444 -20.569
  318   2H4     C  30          2H4         C  30  42.811  -8.187 -20.569
  319    H5     C  30           H5         C  30  41.020  -9.657 -21.236
  320    H6     C  30           H6         C  30  38.720  -9.778 -22.049
  321    H3T    C  30           H3T        C  30  35.384 -10.321 -25.331
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  40.907   4.492 -22.224
    2   2H5*    G   1          2H5*        G   1  40.548   5.844 -21.132
    3    H4*    G   1           H4*        G   1  38.402   5.199 -21.703
    4    H3*    G   1           H3*        G   1  39.303   3.820 -19.189
    5    H2*    G   1           H2*        G   1  37.475   2.290 -19.183
    6   2HO*    G   1          2HO*        G   1  36.313   4.271 -20.818
    7    H1*    G   1           H1*        G   1  37.392   1.662 -21.798
    8    H8     G   1           H8         G   1  40.969   2.362 -20.715
    9    H1     G   1           H1         G   1  39.037  -3.580 -19.450
   10   1H2     G   1          1H2         G   1  36.857  -3.755 -19.820
   11   2H2     G   1          2H2         G   1  35.885  -2.412 -20.375
   12    H5T    G   1           H5T        G   1  42.039   4.512 -20.160
   13   1H5*    G   2          1H5*        G   2  36.213   3.968 -18.214
   14   2H5*    G   2          2H5*        G   2  35.478   4.941 -16.923
   15    H4*    G   2           H4*        G   2  35.100   2.875 -16.006
   16    H3*    G   2           H3*        G   2  37.912   3.676 -15.256
   17    H2*    G   2           H2*        G   2  38.441   1.536 -14.593
   18   2HO*    G   2          2HO*        G   2  36.318   1.921 -13.144
   19    H1*    G   2           H1*        G   2  36.173   0.179 -15.812
   20    H8     G   2           H8         G   2  39.066   1.488 -17.812
   21    H1     G   2           H1         G   2  40.122  -4.337 -15.449
   22   1H2     G   2          1H2         G   2  38.434  -4.914 -14.120
   23   2H2     G   2          2H2         G   2  37.071  -3.862 -13.823
   24   1H5*    G   3          1H5*        G   3  35.055   2.724 -11.460
   25   2H5*    G   3          2H5*        G   3  35.967   3.160 -10.002
   26    H4*    G   3           H4*        G   3  35.071   0.741 -10.175
   27    H3*    G   3           H3*        G   3  37.918   1.533  -9.488
   28    H2*    G   3           H2*        G   3  38.539  -0.714  -9.362
   29   2HO*    G   3          2HO*        G   3  35.758  -1.343  -9.176
   30    H1*    G   3           H1*        G   3  36.896  -1.741 -11.337
   31    H8     G   3           H8         G   3  38.777   1.305 -12.455
   32    H1     G   3           H1         G   3  42.314  -3.993 -12.614
   33   1H2     G   3          1H2         G   3  41.265  -5.635 -11.562
   34   2H2     G   3          2H2         G   3  39.693  -5.424 -10.824
   35   1H5*    C   4          1H5*        C   4  36.196  -1.294  -7.430
   36   2H5*    C   4          2H5*        C   4  35.822  -1.155  -5.700
   37    H4*    C   4           H4*        C   4  36.443  -3.401  -5.892
   38    H3*    C   4           H3*        C   4  38.800  -1.686  -5.070
   39    H2*    C   4           H2*        C   4  40.234  -3.574  -5.123
   40   2HO*    C   4          2HO*        C   4  39.208  -5.724  -5.496
   41    H1*    C   4           H1*        C   4  39.307  -4.712  -7.415
   42   1H4     C   4          1H4         C   4  44.106  -0.978  -9.298
   43   2H4     C   4          2H4         C   4  43.092   0.429  -9.131
   44    H5     C   4           H5         C   4  40.887   0.366  -8.257
   45    H6     C   4           H6         C   4  39.115  -1.047  -7.348
   46   1H5*    U   5          1H5*        U   5  39.152  -5.141  -2.209
   47   2H5*    U   5          2H5*        U   5  40.291  -4.481  -1.019
   48    H4*    U   5           H4*        U   5  41.096  -6.336  -2.694
   49    H3*    U   5           H3*        U   5  42.595  -3.764  -2.037
   50    H2*    U   5           H2*        U   5  44.404  -4.664  -3.324
   51   2HO*    U   5          2HO*        U   5  44.251  -6.853  -4.136
   52    H1*    U   5           H1*        U   5  42.850  -5.551  -5.389
   53    H3     U   5           H3         U   5  45.069  -1.991  -7.067
   54    H5     U   5           H5         U   5  42.168  -0.275  -4.563
   55    H6     U   5           H6         U   5  41.583  -2.504  -3.810
   56   1H5*    G   6          1H5*        G   6  44.701  -6.974  -1.575
   57   2H5*    G   6          2H5*        G   6  46.017  -7.182  -0.403
   58    H4*    G   6           H4*        G   6  46.810  -7.344  -2.755
   59    H3*    G   6           H3*        G   6  47.782  -5.023  -1.037
   60    H2*    G   6           H2*        G   6  49.251  -4.456  -2.823
   61   2HO*    G   6          2HO*        G   6  48.694  -7.104  -3.692
   62    H1*    G   6           H1*        G   6  47.459  -4.924  -4.862
   63    H8     G   6           H8         G   6  45.451  -3.091  -2.383
   64    H1     G   6           H1         G   6  49.929   0.684  -4.878
   65   1H2     G   6          1H2         G   6  51.369  -0.527  -6.047
   66   2H2     G   6          2H2         G   6  51.250  -2.266  -6.181
   67   1H5*    U   7          1H5*        U   7  50.683  -6.457  -2.345
   68   2H5*    U   7          2H5*        U   7  51.946  -7.412  -1.544
   69    H4*    U   7           H4*        U   7  53.363  -5.919  -2.517
   70    H3*    U   7           H3*        U   7  52.245  -4.416  -0.125
   71    H2*    U   7           H2*        U   7  53.398  -2.484  -0.826
   72   2HO*    U   7          2HO*        U   7  54.778  -3.498  -2.969
   73    H1*    U   7           H1*        U   7  52.994  -2.736  -3.519
   74    H3     U   7           H3         U   7  50.553   0.902  -2.513
   75    H5     U   7           H5         U   7  48.608  -2.157  -0.433
   76    H6     U   7           H6         U   7  50.346  -3.686  -1.136
   77   1H5*    U   8          1H5*        U   8  57.064  -4.102   0.003
   78   2H5*    U   8          2H5*        U   8  57.292  -4.073   1.763
   79    H4*    U   8           H4*        U   8  58.462  -2.200   0.570
   80    H3*    U   8           H3*        U   8  56.268  -1.591   2.595
   81    H2*    U   8           H2*        U   8  56.787   0.725   2.325
   82   2HO*    U   8          2HO*        U   8  58.805   0.425   0.455
   83    H1*    U   8           H1*        U   8  56.893   0.691  -0.391
   84    H3     U   8           H3         U   8  52.991   2.705   0.813
   85    H5     U   8           H5         U   8  52.223  -1.428   1.141
   86    H6     U   8           H6         U   8  54.590  -1.826   0.768
   87   1H5*    U   9          1H5*        U   9  59.475   1.101   2.842
   88   2H5*    U   9          2H5*        U   9  59.724   1.624   4.519
   89    H4*    U   9           H4*        U   9  59.101   3.423   2.750
   90    H3*    U   9           H3*        U   9  57.694   3.076   5.427
   91    H2*    U   9           H2*        U   9  56.408   4.979   4.926
   92   2HO*    U   9          2HO*        U   9  57.799   5.812   2.671
   93    H1*    U   9           H1*        U   9  56.332   4.600   2.123
   94    H3     U   9           H3         U   9  52.098   5.045   3.887
   95    H5     U   9           H5         U   9  53.170   0.996   4.397
   96    H6     U   9           H6         U   9  55.419   1.574   3.739
   97   1H5*    U  10          1H5*        U  10  60.108   6.966   6.324
   98   2H5*    U  10          2H5*        U  10  60.021   7.015   8.096
   99    H4*    U  10           H4*        U  10  58.731   8.814   6.673
  100    H3*    U  10           H3*        U  10  57.583   7.278   9.043
  101    H2*    U  10           H2*        U  10  55.643   8.597   8.814
  102   2HO*    U  10          2HO*        U  10  55.767  10.531   7.379
  103    H1*    U  10           H1*        U  10  55.753   8.855   6.007
  104    H3     U  10           H3         U  10  51.709   7.172   7.319
  105    H5     U  10           H5         U  10  54.352   3.896   7.470
  106    H6     U  10           H6         U  10  56.186   5.445   7.055
  107   1H5*    U  11          1H5*        U  11  56.642  11.567   9.645
  108   2H5*    U  11          2H5*        U  11  57.061  11.846  11.347
  109    H4*    U  11           H4*        U  11  54.741  12.560  10.844
  110    H3*    U  11           H3*        U  11  55.138  10.195  12.719
  111    H2*    U  11           H2*        U  11  52.800  10.180  13.048
  112   2HO*    U  11          2HO*        U  11  52.760  12.787  11.886
  113    H1*    U  11           H1*        U  11  52.062  10.916  10.471
  114    H3     U  11           H3         U  11  50.173   6.859  11.205
  115    H5     U  11           H5         U  11  54.283   6.030  10.817
  116    H6     U  11           H6         U  11  54.692   8.406  10.707
  117   1H5*    C  12          1H5*        C  12  52.997  13.462  15.224
  118   2H5*    C  12          2H5*        C  12  53.355  12.994  16.898
  119    H4*    C  12           H4*        C  12  50.884  13.027  16.255
  120    H3*    C  12           H3*        C  12  52.244  10.535  17.367
  121    H2*    C  12           H2*        C  12  50.113   9.503  17.417
  122   2HO*    C  12          2HO*        C  12  48.977  12.088  16.937
  123    H1*    C  12           H1*        C  12  49.172  10.595  15.034
  124   1H4     C  12          1H4         C  12  50.934   4.580  13.976
  125   2H4     C  12          2H4         C  12  52.615   5.046  13.966
  126    H5     C  12           H5         C  12  53.362   7.277  14.417
  127    H6     C  12           H6         C  12  52.666   9.530  15.004
  128   1H5*    U  13          1H5*        U  13  50.723   8.621  21.047
  129   2H5*    U  13          2H5*        U  13  51.166   8.500  19.332
  130    H4*    U  13           H4*        U  13  48.244   8.580  19.796
  131    H3*    U  13           H3*        U  13  49.977   6.413  21.056
  132    H2*    U  13           H2*        U  13  48.421   4.800  20.344
  133   2HO*    U  13          2HO*        U  13  46.290   5.977  19.460
  134    H1*    U  13           H1*        U  13  47.564   6.134  18.001
  135    H3     U  13           H3         U  13  48.969   1.702  17.546
  136    H5     U  13           H5         U  13  52.278   4.188  16.720
  137    H6     U  13           H6         U  13  51.013   6.054  17.579
  138   1H5*    C  14          1H5*        C  14  46.295   5.485  21.704
  139   2H5*    C  14          2H5*        C  14  45.838   5.151  23.386
  140    H4*    C  14           H4*        C  14  45.196   3.271  21.972
  141    H3*    C  14           H3*        C  14  47.462   2.878  23.946
  142    H2*    C  14           H2*        C  14  47.776   0.660  23.208
  143   2HO*    C  14          2HO*        C  14  45.950  -0.014  21.541
  144    H1*    C  14           H1*        C  14  47.292   1.046  20.519
  145   1H4     C  14          1H4         C  14  53.613   0.968  21.221
  146   2H4     C  14          2H4         C  14  53.581   2.609  21.826
  147    H5     C  14           H5         C  14  51.540   3.832  22.221
  148    H6     C  14           H6         C  14  49.094   3.735  22.123
  149   1H5*    G  15          1H5*        G  15  46.735   0.069  27.864
  150   2H5*    G  15          2H5*        G  15  47.668   1.280  26.962
  151    H4*    G  15           H4*        G  15  47.162  -1.477  25.826
  152    H3*    G  15           H3*        G  15  48.483  -1.272  28.222
  153    H2*    G  15           H2*        G  15  50.017   0.437  27.468
  154   2HO*    G  15          2HO*        G  15  51.236  -2.097  26.913
  155    H1*    G  15           H1*        G  15  50.440  -1.207  24.961
  156    H8     G  15           H8         G  15  52.227   0.083  23.679
  157    H1     G  15           H1         G  15  50.534   5.732  26.085
  158   1H2     G  15          1H2         G  15  48.813   5.480  27.463
  159   2H2     G  15          2H2         G  15  48.088   3.920  27.779
  160   1H5*    C  16          1H5*        C  16  46.290  -4.113  23.588
  161   2H5*    C  16          2H5*        C  16  47.774  -4.912  24.144
  162    H4*    C  16           H4*        C  16  47.488  -2.493  22.344
  163    H3*    C  16           H3*        C  16  48.208  -5.287  21.995
  164    H2*    C  16           H2*        C  16  50.507  -4.997  22.231
  165   2HO*    C  16          2HO*        C  16  51.471  -4.259  20.347
  166    H1*    C  16           H1*        C  16  50.350  -2.043  21.659
  167   1H4     C  16          1H4         C  16  56.000  -2.457  24.569
  168   2H4     C  16          2H4         C  16  55.393  -3.659  25.686
  169    H5     C  16           H5         C  16  53.123  -4.519  25.605
  170    H6     C  16           H6         C  16  50.976  -4.366  24.461
  171   1H5*    U  17          1H5*        U  17  47.085  -4.152  16.918
  172   2H5*    U  17          2H5*        U  17  48.514  -4.872  16.154
  173    H4*    U  17           H4*        U  17  47.918  -2.047  16.774
  174    H3*    U  17           H3*        U  17  49.371  -3.614  14.727
  175    H2*    U  17           H2*        U  17  51.443  -2.699  15.158
  176   2HO*    U  17          2HO*        U  17  50.906  -0.065  15.177
  177    H1*    U  17           H1*        U  17  50.428  -0.586  16.999
  178    H3     U  17           H3         U  17  55.083  -0.641  16.937
  179    H5     U  17           H5         U  17  53.836  -3.733  19.504
  180    H6     U  17           H6         U  17  51.556  -3.402  18.682
  181   1H5*    G  18          1H5*        G  18  45.238  -2.769  13.780
  182   2H5*    G  18          2H5*        G  18  44.788  -2.061  12.215
  183    H4*    G  18           H4*        G  18  43.219  -1.376  13.992
  184    H3*    G  18           H3*        G  18  44.850   0.574  12.440
  185    H2*    G  18           H2*        G  18  44.595   2.388  13.911
  186   2HO*    G  18          2HO*        G  18  42.502   2.610  14.319
  187    H1*    G  18           H1*        G  18  44.613   1.153  16.331
  188    H8     G  18           H8         G  18  47.229  -0.841  15.091
  189    H1     G  18           H1         G  18  49.162   5.205  14.762
  190   1H2     G  18          1H2         G  18  47.427   6.580  14.974
  191   2H2     G  18          2H2         G  18  45.791   6.004  15.201
  192   1H5*    A  19          1H5*        A  19  41.564   2.565  12.806
  193   2H5*    A  19          2H5*        A  19  40.338   2.498  11.523
  194    H4*    A  19           H4*        A  19  40.343   4.768  11.817
  195    H3*    A  19           H3*        A  19  42.646   4.135   9.953
  196    H2*    A  19           H2*        A  19  43.269   6.444   9.943
  197   2HO*    A  19          2HO*        A  19  40.909   6.916  11.497
  198    H1*    A  19           H1*        A  19  43.280   6.749  12.594
  199    H8     A  19           H8         A  19  43.952   3.112  11.817
  200   1H6     A  19          1H6         A  19  49.887   4.586  11.168
  201   2H6     A  19          2H6         A  19  48.739   3.270  11.269
  202    H2     A  19           H2         A  19  47.534   8.390  11.539
  203   1H5*    C  20          1H5*        C  20  41.277   7.245   8.762
  204   2H5*    C  20          2H5*        C  20  41.258   7.713   7.052
  205    H4*    C  20           H4*        C  20  42.904   9.029   8.363
  206    H3*    C  20           H3*        C  20  44.019   7.094   6.287
  207    H2*    C  20           H2*        C  20  46.116   8.151   6.676
  208   2HO*    C  20          2HO*        C  20  44.496  10.275   7.301
  209    H1*    C  20           H1*        C  20  45.721   8.461   9.430
  210   1H4     C  20          1H4         C  20  49.874   3.759   8.297
  211   2H4     C  20          2H4         C  20  48.581   2.616   8.605
  212    H5     C  20           H5         C  20  46.266   3.287   8.904
  213    H6     C  20           H6         C  20  44.713   5.191   8.951
  214   1H5*    U  21          1H5*        U  21  45.051  10.691   4.455
  215   2H5*    U  21          2H5*        U  21  45.204  10.517   2.695
  216    H4*    U  21           H4*        U  21  47.390  10.690   4.068
  217    H3*    U  21           H3*        U  21  46.727   8.630   1.960
  218    H2*    U  21           H2*        U  21  48.525   7.310   2.527
  219   2HO*    U  21          2HO*        U  21  50.447   8.191   2.397
  220    H1*    U  21           H1*        U  21  49.164   8.582   5.072
  221    H3     U  21           H3         U  21  50.215   4.117   5.241
  222    H5     U  21           H5         U  21  46.034   4.347   5.688
  223    H6     U  21           H6         U  21  46.173   6.694   5.080
  224   1H5*    U  22          1H5*        U  22  50.850  10.911   0.625
  225   2H5*    U  22          2H5*        U  22  50.841  10.567  -1.115
  226    H4*    U  22           H4*        U  22  52.954   9.906   0.192
  227    H3*    U  22           H3*        U  22  51.387   8.038  -1.620
  228    H2*    U  22           H2*        U  22  53.004   6.338  -1.197
  229   2HO*    U  22          2HO*        U  22  54.950   6.855  -0.019
  230    H1*    U  22           H1*        U  22  53.216   6.722   1.484
  231    H3     U  22           H3         U  22  50.869   2.875   0.487
  232    H5     U  22           H5         U  22  48.027   5.960   0.819
  233    H6     U  22           H6         U  22  49.869   7.533   0.862
  234   1H5*    U  23          1H5*        U  23  55.307   8.007  -2.740
  235   2H5*    U  23          2H5*        U  23  55.687   8.841  -4.260
  236    H4*    U  23           H4*        U  23  57.030   6.988  -4.517
  237    H3*    U  23           H3*        U  23  54.292   6.360  -5.626
  238    H2*    U  23           H2*        U  23  54.845   4.087  -5.927
  239   2HO*    U  23          2HO*        U  23  56.959   4.696  -6.872
  240    H1*    U  23           H1*        U  23  56.317   3.662  -3.692
  241    H3     U  23           H3         U  23  52.603   1.267  -2.801
  242    H5     U  23           H5         U  23  51.298   5.266  -2.522
  243    H6     U  23           H6         U  23  53.477   5.965  -3.326
  244   1H5*    C  24          1H5*        C  24  56.969   4.785  -9.020
  245   2H5*    C  24          2H5*        C  24  55.932   5.091 -10.427
  246    H4*    C  24           H4*        C  24  56.490   2.645  -9.982
  247    H3*    C  24           H3*        C  24  53.658   3.717 -10.198
  248    H2*    C  24           H2*        C  24  52.804   1.539  -9.857
  249   2HO*    C  24          2HO*        C  24  54.558  -0.234  -9.806
  250    H1*    C  24           H1*        C  24  54.657   0.679  -7.995
  251   1H4     C  24          1H4         C  24  49.462   2.367  -4.710
  252   2H4     C  24          2H4         C  24  49.852   4.056  -4.931
  253    H5     C  24           H5         C  24  51.695   4.826  -6.260
  254    H6     C  24           H6         C  24  53.582   4.151  -7.671
  255   1H5*    A  25          1H5*        A  25  54.536   0.360 -12.190
  256   2H5*    A  25          2H5*        A  25  53.708  -0.164 -13.669
  257    H4*    A  25           H4*        A  25  53.495  -1.693 -11.606
  258    H3*    A  25           H3*        A  25  51.188  -0.649 -13.262
  259    H2*    A  25           H2*        A  25  49.639  -1.615 -11.833
  260   2HO*    A  25          2HO*        A  25  51.667  -3.433 -10.967
  261    H1*    A  25           H1*        A  25  51.266  -1.733  -9.489
  262    H8     A  25           H8         A  25  50.707   1.750 -10.601
  263   1H6     A  25          1H6         A  25  45.305   1.571  -7.618
  264   2H6     A  25          2H6         A  25  46.469   2.617  -8.401
  265    H2     A  25           H2         A  25  46.901  -2.614  -7.919
  266   1H5*    G  26          1H5*        G  26  52.107  -5.642 -13.464
  267   2H5*    G  26          2H5*        G  26  50.888  -6.213 -14.619
  268    H4*    G  26           H4*        G  26  51.143  -7.535 -12.419
  269    H3*    G  26           H3*        G  26  48.530  -6.498 -13.556
  270    H2*    G  26           H2*        G  26  47.360  -7.432 -11.706
  271   2HO*    G  26          2HO*        G  26  48.820  -8.714 -10.149
  272    H1*    G  26           H1*        G  26  49.088  -6.698  -9.753
  273    H8     G  26           H8         G  26  49.222  -3.781 -11.858
  274    H1     G  26           H1         G  26  43.515  -4.120  -9.102
  275   1H2     G  26          1H2         G  26  43.194  -6.138  -8.244
  276   2H2     G  26          2H2         G  26  44.392  -7.410  -8.352
  277   1H5*    C  27          1H5*        C  27  48.101 -10.375 -12.753
  278   2H5*    C  27          2H5*        C  27  47.374 -11.501 -13.916
  279    H4*    C  27           H4*        C  27  46.070 -11.622 -11.900
  280    H3*    C  27           H3*        C  27  44.789 -10.070 -14.173
  281    H2*    C  27           H2*        C  27  42.849  -9.742 -12.790
  282   2HO*    C  27          2HO*        C  27  44.005 -11.852 -11.334
  283    H1*    C  27           H1*        C  27  44.163  -8.965 -10.591
  284   1H4     C  27          1H4         C  27  43.487  -3.535 -13.812
  285   2H4     C  27          2H4         C  27  44.976  -3.863 -14.667
  286    H5     C  27           H5         C  27  46.182  -5.930 -14.465
  287    H6     C  27           H6         C  27  46.240  -8.129 -13.418
  288   1H5*    C  28          1H5*        C  28  42.273 -12.178 -12.891
  289   2H5*    C  28          2H5*        C  28  41.120 -13.228 -13.738
  290    H4*    C  28           H4*        C  28  39.754 -11.571 -12.766
  291    H3*    C  28           H3*        C  28  40.428 -10.802 -15.641
  292    H2*    C  28           H2*        C  28  38.929  -8.969 -15.372
  293   2HO*    C  28          2HO*        C  28  38.053 -10.389 -13.054
  294    H1*    C  28           H1*        C  28  39.731  -8.316 -12.807
  295   1H4     C  28          1H4         C  28  42.758  -4.416 -16.817
  296   2H4     C  28          2H4         C  28  44.002  -5.621 -17.061
  297    H5     C  28           H5         C  28  43.884  -7.850 -16.121
  298    H6     C  28           H6         C  28  42.550  -9.384 -14.796
  299   1H5*    C  29          1H5*        C  29  36.177 -10.599 -15.969
  300   2H5*    C  29          2H5*        C  29  35.760 -12.018 -16.951
  301    H4*    C  29           H4*        C  29  34.584 -10.370 -18.083
  302    H3*    C  29           H3*        C  29  37.382 -10.519 -19.261
  303    H2*    C  29           H2*        C  29  36.837  -8.753 -20.726
  304   2HO*    C  29          2HO*        C  29  34.130  -8.641 -20.025
  305    H1*    C  29           H1*        C  29  35.294  -7.269 -18.998
  306   1H4     C  29          1H4         C  29  40.883  -4.294 -18.946
  307   2H4     C  29          2H4         C  29  41.715  -5.737 -18.414
  308    H5     C  29           H5         C  29  40.608  -7.841 -18.063
  309    H6     C  29           H6         C  29  38.465  -9.023 -18.127
  310   1H5*    C  30          1H5*        C  30  34.256  -9.899 -22.297
  311   2H5*    C  30          2H5*        C  30  34.953 -10.229 -23.895
  312    H4*    C  30           H4*        C  30  34.317  -7.777 -23.312
  313    H3*    C  30           H3*        C  30  37.038  -8.602 -24.376
  314    H2*    C  30           H2*        C  30  37.559  -6.323 -24.546
  315   2HO*    C  30          2HO*        C  30  35.840  -4.715 -24.321
  316    H1*    C  30           H1*        C  30  36.129  -5.535 -22.255
  317   1H4     C  30          1H4         C  30  42.294  -5.216 -20.757
  318   2H4     C  30          2H4         C  30  42.448  -6.957 -20.849
  319    H5     C  30           H5         C  30  40.631  -8.407 -21.519
  320    H6     C  30           H6         C  30  38.302  -8.496 -22.242
  321    H3T    C  30           H3T        C  30  35.431  -9.010 -25.843
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  38.204   1.495 -24.657
    2   2H5*    G   1          2H5*        G   1  38.466   3.161 -24.102
    3    H4*    G   1           H4*        G   1  36.372   2.710 -23.197
    4    H3*    G   1           H3*        G   1  38.579   2.137 -21.233
    5    H2*    G   1           H2*        G   1  37.093   1.106 -19.673
    6   2HO*    G   1          2HO*        G   1  34.889   1.444 -19.724
    7    H1*    G   1           H1*        G   1  35.539  -0.293 -21.391
    8    H8     G   1           H8         G   1  39.277  -0.007 -22.269
    9    H1     G   1           H1         G   1  37.748  -5.209 -18.924
   10   1H2     G   1          1H2         G   1  35.621  -5.109 -18.295
   11   2H2     G   1          2H2         G   1  34.585  -3.758 -18.696
   12    H5T    G   1           H5T        G   1  40.121   1.306 -23.772
   13   1H5*    G   2          1H5*        G   2  35.673   3.245 -19.316
   14   2H5*    G   2          2H5*        G   2  35.705   4.335 -17.918
   15    H4*    G   2           H4*        G   2  35.046   2.144 -17.135
   16    H3*    G   2           H3*        G   2  37.817   3.110 -16.441
   17    H2*    G   2           H2*        G   2  38.454   1.041 -15.651
   18   2HO*    G   2          2HO*        G   2  36.074   1.316 -14.401
   19    H1*    G   2           H1*        G   2  36.330  -0.545 -16.793
   20    H8     G   2           H8         G   2  39.104   0.965 -18.869
   21    H1     G   2           H1         G   2  40.744  -4.570 -16.161
   22   1H2     G   2          1H2         G   2  39.121  -5.245 -14.802
   23   2H2     G   2          2H2         G   2  37.648  -4.331 -14.572
   24   1H5*    G   3          1H5*        G   3  34.879   2.342 -12.839
   25   2H5*    G   3          2H5*        G   3  35.490   2.996 -11.307
   26    H4*    G   3           H4*        G   3  34.860   0.545 -11.241
   27    H3*    G   3           H3*        G   3  37.653   1.531 -10.552
   28    H2*    G   3           H2*        G   3  38.307  -0.678 -10.098
   29   2HO*    G   3          2HO*        G   3  36.127  -2.160 -10.349
   30    H1*    G   3           H1*        G   3  36.944  -1.933 -12.107
   31    H8     G   3           H8         G   3  38.541   1.135 -13.484
   32    H1     G   3           H1         G   3  42.702  -3.617 -12.659
   33   1H2     G   3          1H2         G   3  41.796  -5.214 -11.421
   34   2H2     G   3          2H2         G   3  40.166  -5.106 -10.795
   35   1H5*    C   4          1H5*        C   4  36.130  -1.330  -8.270
   36   2H5*    C   4          2H5*        C   4  35.901  -0.991  -6.543
   37    H4*    C   4           H4*        C   4  36.711  -3.209  -6.590
   38    H3*    C   4           H3*        C   4  38.916  -1.198  -6.035
   39    H2*    C   4           H2*        C   4  40.473  -2.991  -5.864
   40   2HO*    C   4          2HO*        C   4  39.709  -4.716  -4.893
   41    H1*    C   4           H1*        C   4  39.643  -4.388  -8.034
   42   1H4     C   4          1H4         C   4  44.132  -0.450 -10.250
   43   2H4     C   4          2H4         C   4  43.018   0.884 -10.166
   44    H5     C   4           H5         C   4  40.832   0.717  -9.269
   45    H6     C   4           H6         C   4  39.175  -0.749  -8.241
   46   1H5*    U   5          1H5*        U   5  39.223  -4.138  -2.617
   47   2H5*    U   5          2H5*        U   5  40.332  -3.358  -1.470
   48    H4*    U   5           H4*        U   5  41.143  -5.436  -2.863
   49    H3*    U   5           H3*        U   5  42.668  -2.851  -2.363
   50    H2*    U   5           H2*        U   5  44.526  -3.836  -3.512
   51   2HO*    U   5          2HO*        U   5  44.117  -6.133  -4.302
   52    H1*    U   5           H1*        U   5  43.100  -4.817  -5.602
   53    H3     U   5           H3         U   5  45.352  -1.181  -7.144
   54    H5     U   5           H5         U   5  41.990   0.407  -5.199
   55    H6     U   5           H6         U   5  41.491  -1.812  -4.368
   56   1H5*    G   6          1H5*        G   6  44.619  -6.010  -1.874
   57   2H5*    G   6          2H5*        G   6  45.949  -6.319  -0.737
   58    H4*    G   6           H4*        G   6  46.675  -6.459  -3.115
   59    H3*    G   6           H3*        G   6  47.811  -4.271  -1.330
   60    H2*    G   6           H2*        G   6  49.255  -3.672  -3.123
   61   2HO*    G   6          2HO*        G   6  48.472  -5.787  -4.789
   62    H1*    G   6           H1*        G   6  47.415  -4.006  -5.153
   63    H8     G   6           H8         G   6  45.487  -2.160  -2.645
   64    H1     G   6           H1         G   6  50.138   1.523  -4.947
   65   1H2     G   6          1H2         G   6  51.557   0.287  -6.137
   66   2H2     G   6          2H2         G   6  51.374  -1.441  -6.327
   67   1H5*    U   7          1H5*        U   7  50.596  -5.693  -2.737
   68   2H5*    U   7          2H5*        U   7  51.867  -6.713  -2.033
   69    H4*    U   7           H4*        U   7  53.286  -5.160  -2.899
   70    H3*    U   7           H3*        U   7  52.177  -3.783  -0.423
   71    H2*    U   7           H2*        U   7  53.340  -1.825  -1.027
   72   2HO*    U   7          2HO*        U   7  54.717  -2.614  -3.221
   73    H1*    U   7           H1*        U   7  52.927  -1.945  -3.735
   74    H3     U   7           H3         U   7  50.544   1.671  -2.531
   75    H5     U   7           H5         U   7  48.584  -1.458  -0.561
   76    H6     U   7           H6         U   7  50.290  -2.976  -1.368
   77   1H5*    U   8          1H5*        U   8  57.024  -3.532  -0.317
   78   2H5*    U   8          2H5*        U   8  57.263  -3.523   1.440
   79    H4*    U   8           H4*        U   8  58.455  -1.662   0.246
   80    H3*    U   8           H3*        U   8  56.320  -1.041   2.328
   81    H2*    U   8           H2*        U   8  56.851   1.269   2.066
   82   2HO*    U   8          2HO*        U   8  59.173   0.251   0.788
   83    H1*    U   8           H1*        U   8  56.967   1.268  -0.652
   84    H3     U   8           H3         U   8  53.130   3.403   0.516
   85    H5     U   8           H5         U   8  52.231  -0.692   0.935
   86    H6     U   8           H6         U   8  54.579  -1.175   0.544
   87   1H5*    U   9          1H5*        U   9  59.801   1.490   2.896
   88   2H5*    U   9          2H5*        U   9  59.979   1.837   4.625
   89    H4*    U   9           H4*        U   9  59.619   3.832   2.993
   90    H3*    U   9           H3*        U   9  58.023   3.392   5.551
   91    H2*    U   9           H2*        U   9  56.956   5.459   5.151
   92   2HO*    U   9          2HO*        U   9  57.976   7.091   4.225
   93    H1*    U   9           H1*        U   9  56.880   5.254   2.356
   94    H3     U   9           H3         U   9  52.663   5.713   4.149
   95    H5     U   9           H5         U   9  53.583   1.601   4.351
   96    H6     U   9           H6         U   9  55.856   2.145   3.737
   97   1H5*    U  10          1H5*        U  10  60.653   6.998   7.071
   98   2H5*    U  10          2H5*        U  10  60.377   6.820   8.815
   99    H4*    U  10           H4*        U  10  59.366   8.887   7.526
  100    H3*    U  10           H3*        U  10  57.891   7.160   9.560
  101    H2*    U  10           H2*        U  10  56.073   8.656   9.347
  102   2HO*    U  10          2HO*        U  10  57.990  10.441   8.213
  103    H1*    U  10           H1*        U  10  56.405   9.177   6.612
  104    H3     U  10           H3         U  10  52.238   7.504   7.454
  105    H5     U  10           H5         U  10  54.774   4.141   7.431
  106    H6     U  10           H6         U  10  56.671   5.658   7.315
  107   1H5*    U  11          1H5*        U  11  57.409  11.475  11.038
  108   2H5*    U  11          2H5*        U  11  57.485  11.243  12.795
  109    H4*    U  11           H4*        U  11  55.384  12.391  11.927
  110    H3*    U  11           H3*        U  11  55.230   9.818  13.554
  111    H2*    U  11           H2*        U  11  52.870  10.118  13.562
  112   2HO*    U  11          2HO*        U  11  52.175  12.265  12.450
  113    H1*    U  11           H1*        U  11  52.650  10.990  10.958
  114    H3     U  11           H3         U  11  50.485   6.996  11.349
  115    H5     U  11           H5         U  11  54.567   5.995  11.075
  116    H6     U  11           H6         U  11  55.090   8.350  11.226
  117   1H5*    C  12          1H5*        C  12  52.793  12.719  15.487
  118   2H5*    C  12          2H5*        C  12  53.005  12.649  17.247
  119    H4*    C  12           H4*        C  12  50.645  12.402  16.755
  120    H3*    C  12           H3*        C  12  52.038   9.816  17.571
  121    H2*    C  12           H2*        C  12  49.889   8.791  17.582
  122   2HO*    C  12          2HO*        C  12  48.303   9.990  18.316
  123    H1*    C  12           H1*        C  12  48.980   9.988  15.269
  124   1H4     C  12          1H4         C  12  51.134   4.178  13.850
  125   2H4     C  12          2H4         C  12  52.786   4.715  13.991
  126    H5     C  12           H5         C  12  53.394   6.940  14.647
  127    H6     C  12           H6         C  12  52.546   9.116  15.344
  128   1H5*    U  13          1H5*        U  13  49.333   8.671  21.479
  129   2H5*    U  13          2H5*        U  13  50.506   7.370  21.196
  130    H4*    U  13           H4*        U  13  47.768   7.765  19.970
  131    H3*    U  13           H3*        U  13  49.305   5.516  21.325
  132    H2*    U  13           H2*        U  13  48.040   3.978  20.085
  133   2HO*    U  13          2HO*        U  13  46.108   6.049  19.685
  134    H1*    U  13           H1*        U  13  47.504   5.709  17.865
  135    H3     U  13           H3         U  13  48.864   1.326  16.924
  136    H5     U  13           H5         U  13  52.297   3.777  16.944
  137    H6     U  13           H6         U  13  50.957   5.543  17.906
  138   1H5*    C  14          1H5*        C  14  45.657   4.344  21.042
  139   2H5*    C  14          2H5*        C  14  44.899   3.860  22.571
  140    H4*    C  14           H4*        C  14  44.641   2.057  20.988
  141    H3*    C  14           H3*        C  14  46.627   1.648  23.238
  142    H2*    C  14           H2*        C  14  47.207  -0.481  22.415
  143   2HO*    C  14          2HO*        C  14  45.570  -0.958  20.386
  144    H1*    C  14           H1*        C  14  47.088   0.082  19.716
  145   1H4     C  14          1H4         C  14  53.246   0.445  21.252
  146   2H4     C  14          2H4         C  14  52.983   1.999  22.011
  147    H5     C  14           H5         C  14  50.808   3.000  22.249
  148    H6     C  14           H6         C  14  48.410   2.718  21.818
  149   1H5*    G  15          1H5*        G  15  45.718  -0.895  27.048
  150   2H5*    G  15          2H5*        G  15  46.622   0.206  25.989
  151    H4*    G  15           H4*        G  15  46.130  -2.591  25.020
  152    H3*    G  15           H3*        G  15  47.123  -2.505  27.542
  153    H2*    G  15           H2*        G  15  48.720  -0.743  27.080
  154   2HO*    G  15          2HO*        G  15  49.896  -3.327  26.901
  155    H1*    G  15           H1*        G  15  49.638  -2.306  24.659
  156    H8     G  15           H8         G  15  51.508  -0.861  23.702
  157    H1     G  15           H1         G  15  48.995   4.599  25.817
  158   1H2     G  15          1H2         G  15  47.108   4.190  26.905
  159   2H2     G  15          2H2         G  15  46.471   2.574  27.107
  160   1H5*    C  16          1H5*        C  16  45.622  -4.986  22.498
  161   2H5*    C  16          2H5*        C  16  47.033  -5.829  23.166
  162    H4*    C  16           H4*        C  16  46.951  -3.262  21.561
  163    H3*    C  16           H3*        C  16  47.813  -6.033  21.122
  164    H2*    C  16           H2*        C  16  50.075  -5.642  21.444
  165   2HO*    C  16          2HO*        C  16  51.021  -4.863  19.666
  166    H1*    C  16           H1*        C  16  49.781  -2.655  21.265
  167   1H4     C  16          1H4         C  16  55.208  -3.247  24.533
  168   2H4     C  16          2H4         C  16  54.505  -4.467  25.571
  169    H5     C  16           H5         C  16  52.246  -5.306  25.286
  170    H6     C  16           H6         C  16  50.203  -5.123  23.968
  171   1H5*    U  17          1H5*        U  17  47.174  -4.741  15.986
  172   2H5*    U  17          2H5*        U  17  48.743  -5.337  15.413
  173    H4*    U  17           H4*        U  17  47.877  -2.582  16.076
  174    H3*    U  17           H3*        U  17  49.595  -3.947  14.100
  175    H2*    U  17           H2*        U  17  51.567  -2.964  14.782
  176   2HO*    U  17          2HO*        U  17  50.980  -0.370  14.841
  177    H1*    U  17           H1*        U  17  50.244  -0.986  16.584
  178    H3     U  17           H3         U  17  54.882  -0.745  16.997
  179    H5     U  17           H5         U  17  53.570  -3.987  19.338
  180    H6     U  17           H6         U  17  51.380  -3.779  18.279
  181   1H5*    G  18          1H5*        G  18  45.347  -3.080  12.832
  182   2H5*    G  18          2H5*        G  18  45.075  -2.216  11.305
  183    H4*    G  18           H4*        G  18  43.366  -1.639  13.006
  184    H3*    G  18           H3*        G  18  45.177   0.400  11.776
  185    H2*    G  18           H2*        G  18  44.744   2.094  13.360
  186   2HO*    G  18          2HO*        G  18  42.901   1.916  14.794
  187    H1*    G  18           H1*        G  18  44.633   0.652  15.648
  188    H8     G  18           H8         G  18  47.304  -1.271  14.453
  189    H1     G  18           H1         G  18  49.272   4.766  14.540
  190   1H2     G  18          1H2         G  18  47.532   6.140  14.731
  191   2H2     G  18          2H2         G  18  45.885   5.561  14.838
  192   1H5*    A  19          1H5*        A  19  41.845   2.489  12.171
  193   2H5*    A  19          2H5*        A  19  40.825   2.593  10.722
  194    H4*    A  19           H4*        A  19  40.736   4.793  11.425
  195    H3*    A  19           H3*        A  19  43.112   4.452   9.582
  196    H2*    A  19           H2*        A  19  43.755   6.725   9.947
  197   2HO*    A  19          2HO*        A  19  41.175   6.919  11.140
  198    H1*    A  19           H1*        A  19  43.643   6.649  12.609
  199    H8     A  19           H8         A  19  44.329   3.139  11.455
  200   1H6     A  19          1H6         A  19  50.291   4.611  11.178
  201   2H6     A  19          2H6         A  19  49.134   3.301  11.108
  202    H2     A  19           H2         A  19  47.948   8.383  11.810
  203   1H5*    C  20          1H5*        C  20  41.762   7.731   8.800
  204   2H5*    C  20          2H5*        C  20  41.804   8.439   7.174
  205    H4*    C  20           H4*        C  20  43.418   9.531   8.729
  206    H3*    C  20           H3*        C  20  44.547   7.936   6.389
  207    H2*    C  20           H2*        C  20  46.662   8.840   6.977
  208   2HO*    C  20          2HO*        C  20  45.273  10.671   8.683
  209    H1*    C  20           H1*        C  20  46.213   8.754   9.741
  210   1H4     C  20          1H4         C  20  50.283   4.142   8.083
  211   2H4     C  20          2H4         C  20  48.948   3.012   8.164
  212    H5     C  20           H5         C  20  46.649   3.706   8.468
  213    H6     C  20           H6         C  20  45.145   5.624   8.736
  214   1H5*    U  21          1H5*        U  21  45.928  11.737   5.042
  215   2H5*    U  21          2H5*        U  21  46.069  11.611   3.277
  216    H4*    U  21           H4*        U  21  48.256  11.620   4.693
  217    H3*    U  21           H3*        U  21  47.540   9.702   2.458
  218    H2*    U  21           H2*        U  21  49.403   8.404   2.889
  219   2HO*    U  21          2HO*        U  21  51.255   9.603   4.069
  220    H1*    U  21           H1*        U  21  49.906   9.280   5.583
  221    H3     U  21           H3         U  21  50.647   4.777   5.204
  222    H5     U  21           H5         U  21  46.470   5.238   5.445
  223    H6     U  21           H6         U  21  46.793   7.633   5.175
  224   1H5*    U  22          1H5*        U  22  51.715  11.695   1.339
  225   2H5*    U  22          2H5*        U  22  51.732  11.535  -0.427
  226    H4*    U  22           H4*        U  22  53.700  10.484   0.834
  227    H3*    U  22           H3*        U  22  51.952   8.991  -1.152
  228    H2*    U  22           H2*        U  22  53.310   7.066  -0.853
  229   2HO*    U  22          2HO*        U  22  55.153   8.653   0.641
  230    H1*    U  22           H1*        U  22  53.655   7.279   1.862
  231    H3     U  22           H3         U  22  51.063   3.610   1.167
  232    H5     U  22           H5         U  22  48.419   6.874   0.880
  233    H6     U  22           H6         U  22  50.350   8.337   0.950
  234   1H5*    U  23          1H5*        U  23  55.909   8.503  -2.230
  235   2H5*    U  23          2H5*        U  23  56.358   9.393  -3.699
  236    H4*    U  23           H4*        U  23  57.464   7.415  -4.115
  237    H3*    U  23           H3*        U  23  54.651   7.200  -5.193
  238    H2*    U  23           H2*        U  23  54.931   4.919  -5.679
  239   2HO*    U  23          2HO*        U  23  56.846   4.037  -6.175
  240    H1*    U  23           H1*        U  23  56.463   4.165  -3.555
  241    H3     U  23           H3         U  23  52.659   1.953  -2.651
  242    H5     U  23           H5         U  23  51.578   5.993  -2.147
  243    H6     U  23           H6         U  23  53.770   6.612  -2.980
  244   1H5*    C  24          1H5*        C  24  57.236   5.738  -8.749
  245   2H5*    C  24          2H5*        C  24  56.205   6.153 -10.134
  246    H4*    C  24           H4*        C  24  56.704   3.667  -9.817
  247    H3*    C  24           H3*        C  24  53.891   4.808  -9.981
  248    H2*    C  24           H2*        C  24  53.025   2.606  -9.835
  249   2HO*    C  24          2HO*        C  24  55.705   1.729 -10.335
  250    H1*    C  24           H1*        C  24  54.805   1.643  -7.964
  251   1H4     C  24          1H4         C  24  49.545   3.212  -4.761
  252   2H4     C  24          2H4         C  24  49.951   4.910  -4.870
  253    H5     C  24           H5         C  24  51.849   5.737  -6.102
  254    H6     C  24           H6         C  24  53.772   5.110  -7.489
  255   1H5*    A  25          1H5*        A  25  54.782   1.513 -12.252
  256   2H5*    A  25          2H5*        A  25  53.807   1.080 -13.669
  257    H4*    A  25           H4*        A  25  53.830  -0.490 -11.543
  258    H3*    A  25           H3*        A  25  51.483   0.324 -13.272
  259    H2*    A  25           H2*        A  25  49.983  -0.735 -11.856
  260   2HO*    A  25          2HO*        A  25  51.070  -2.396 -10.301
  261    H1*    A  25           H1*        A  25  51.516  -0.639  -9.462
  262    H8     A  25           H8         A  25  50.826   2.760 -10.671
  263   1H6     A  25          1H6         A  25  45.229   2.336  -8.096
  264   2H6     A  25          2H6         A  25  46.399   3.434  -8.797
  265    H2     A  25           H2         A  25  47.031  -1.770  -8.254
  266   1H5*    G  26          1H5*        G  26  52.775  -4.607 -13.394
  267   2H5*    G  26          2H5*        G  26  51.571  -5.288 -14.505
  268    H4*    G  26           H4*        G  26  51.972  -6.488 -12.236
  269    H3*    G  26           H3*        G  26  49.282  -5.763 -13.439
  270    H2*    G  26           H2*        G  26  48.194  -6.741 -11.548
  271   2HO*    G  26          2HO*        G  26  50.777  -7.818 -10.985
  272    H1*    G  26           H1*        G  26  49.730  -5.631  -9.649
  273    H8     G  26           H8         G  26  49.763  -2.900 -11.972
  274    H1     G  26           H1         G  26  43.877  -3.599  -9.718
  275   1H2     G  26          1H2         G  26  43.663  -5.564  -8.716
  276   2H2     G  26          2H2         G  26  44.978  -6.714  -8.604
  277   1H5*    C  27          1H5*        C  27  49.103  -9.252 -12.069
  278   2H5*    C  27          2H5*        C  27  48.664 -10.693 -13.008
  279    H4*    C  27           H4*        C  27  47.229 -10.755 -11.127
  280    H3*    C  27           H3*        C  27  45.868  -9.583 -13.579
  281    H2*    C  27           H2*        C  27  43.853  -9.357 -12.285
  282   2HO*    C  27          2HO*        C  27  45.160 -10.621 -10.093
  283    H1*    C  27           H1*        C  27  44.984  -8.217 -10.153
  284   1H4     C  27          1H4         C  27  43.851  -3.232 -13.916
  285   2H4     C  27          2H4         C  27  45.345  -3.531 -14.773
  286    H5     C  27           H5         C  27  46.732  -5.454 -14.375
  287    H6     C  27           H6         C  27  46.997  -7.507 -13.093
  288   1H5*    C  28          1H5*        C  28  43.547 -11.788 -12.110
  289   2H5*    C  28          2H5*        C  28  42.578 -13.081 -12.845
  290    H4*    C  28           H4*        C  28  40.973 -11.535 -12.061
  291    H3*    C  28           H3*        C  28  41.570 -11.105 -15.015
  292    H2*    C  28           H2*        C  28  39.888  -9.424 -15.033
  293   2HO*    C  28          2HO*        C  28  39.117  -9.955 -12.367
  294    H1*    C  28           H1*        C  28  40.531  -8.291 -12.607
  295   1H4     C  28          1H4         C  28  43.352  -4.787 -17.109
  296   2H4     C  28          2H4         C  28  44.721  -5.877 -17.103
  297    H5     C  28           H5         C  28  44.771  -7.926 -15.814
  298    H6     C  28           H6         C  28  43.528  -9.361 -14.309
  299   1H5*    C  29          1H5*        C  29  37.572 -11.948 -14.228
  300   2H5*    C  29          2H5*        C  29  36.828 -13.378 -14.970
  301    H4*    C  29           H4*        C  29  35.174 -11.728 -15.223
  302    H3*    C  29           H3*        C  29  36.892 -11.976 -17.711
  303    H2*    C  29           H2*        C  29  35.672 -10.237 -18.739
  304   2HO*    C  29          2HO*        C  29  33.688 -11.192 -17.158
  305    H1*    C  29           H1*        C  29  35.381  -8.601 -16.568
  306   1H4     C  29          1H4         C  29  40.372  -6.236 -19.689
  307   2H4     C  29          2H4         C  29  41.287  -7.705 -19.442
  308    H5     C  29           H5         C  29  40.401  -9.632 -18.330
  309    H6     C  29           H6         C  29  38.463 -10.584 -17.182
  310   1H5*    C  30          1H5*        C  30  32.745 -11.250 -18.691
  311   2H5*    C  30          2H5*        C  30  32.470 -11.677 -20.391
  312    H4*    C  30           H4*        C  30  32.391  -9.166 -19.724
  313    H3*    C  30           H3*        C  30  34.102 -10.229 -21.996
  314    H2*    C  30           H2*        C  30  34.553  -7.998 -22.551
  315   2HO*    C  30          2HO*        C  30  33.098  -6.465 -22.327
  316    H1*    C  30           H1*        C  30  34.535  -7.054 -19.890
  317   1H4     C  30          1H4         C  30  40.573  -6.946 -21.848
  318   2H4     C  30          2H4         C  30  40.640  -8.694 -21.838
  319    H5     C  30           H5         C  30  38.729 -10.083 -21.340
  320    H6     C  30           H6         C  30  36.362 -10.101 -20.760
  321    H3T    C  30           H3T        C  30  32.248 -10.136 -23.046
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  40.648   3.873 -23.124
    2   2H5*    G   1          2H5*        G   1  40.198   5.263 -22.116
    3    H4*    G   1           H4*        G   1  38.105   4.400 -22.622
    4    H3*    G   1           H3*        G   1  39.131   3.304 -20.012
    5    H2*    G   1           H2*        G   1  37.385   1.686 -19.851
    6   2HO*    G   1          2HO*        G   1  35.997   3.567 -21.126
    7    H1*    G   1           H1*        G   1  37.351   0.819 -22.396
    8    H8     G   1           H8         G   1  40.831   1.901 -21.198
    9    H1     G   1           H1         G   1  39.428  -4.185 -19.913
   10   1H2     G   1          1H2         G   1  37.301  -4.591 -20.399
   11   2H2     G   1          2H2         G   1  36.232  -3.364 -21.040
   12    H5T    G   1           H5T        G   1  41.873   3.552 -21.416
   13   1H5*    G   2          1H5*        G   2  35.941   3.545 -19.025
   14   2H5*    G   2          2H5*        G   2  35.196   4.611 -17.816
   15    H4*    G   2           H4*        G   2  34.841   2.623 -16.732
   16    H3*    G   2           H3*        G   2  37.665   3.478 -16.067
   17    H2*    G   2           H2*        G   2  38.132   1.420 -15.122
   18   2HO*    G   2          2HO*        G   2  36.815   0.618 -13.657
   19    H1*    G   2           H1*        G   2  36.010  -0.088 -16.366
   20    H8     G   2           H8         G   2  38.966   1.383 -18.219
   21    H1     G   2           H1         G   2  40.065  -4.472 -15.954
   22   1H2     G   2          1H2         G   2  38.330  -5.148 -14.747
   23   2H2     G   2          2H2         G   2  36.912  -4.153 -14.502
   24   1H5*    G   3          1H5*        G   3  34.681   2.936 -12.466
   25   2H5*    G   3          2H5*        G   3  35.342   3.577 -10.949
   26    H4*    G   3           H4*        G   3  34.545   1.175 -10.835
   27    H3*    G   3           H3*        G   3  37.380   2.014 -10.149
   28    H2*    G   3           H2*        G   3  37.973  -0.201  -9.737
   29   2HO*    G   3          2HO*        G   3  36.610  -1.636  -8.892
   30    H1*    G   3           H1*        G   3  36.365  -1.455 -11.615
   31    H8     G   3           H8         G   3  38.378   1.441 -12.958
   32    H1     G   3           H1         G   3  41.715  -3.974 -12.568
   33   1H2     G   3          1H2         G   3  40.566  -5.492 -11.431
   34   2H2     G   3          2H2         G   3  38.978  -5.167 -10.773
   35   1H5*    C   4          1H5*        C   4  35.505  -0.458  -7.792
   36   2H5*    C   4          2H5*        C   4  35.042  -0.099  -6.117
   37    H4*    C   4           H4*        C   4  35.627  -2.335  -5.925
   38    H3*    C   4           H3*        C   4  38.100  -0.642  -5.432
   39    H2*    C   4           H2*        C   4  39.363  -2.637  -5.116
   40   2HO*    C   4          2HO*        C   4  37.283  -4.433  -5.482
   41    H1*    C   4           H1*        C   4  38.384  -4.007  -7.240
   42   1H4     C   4          1H4         C   4  43.480  -0.846  -9.399
   43   2H4     C   4          2H4         C   4  42.572   0.643  -9.427
   44    H5     C   4           H5         C   4  40.343   0.825  -8.639
   45    H6     C   4           H6         C   4  38.440  -0.350  -7.655
   46   1H5*    U   5          1H5*        U   5  38.085  -3.933  -2.393
   47   2H5*    U   5          2H5*        U   5  39.199  -3.363  -1.134
   48    H4*    U   5           H4*        U   5  39.890  -5.407  -2.612
   49    H3*    U   5           H3*        U   5  41.633  -3.005  -1.943
   50    H2*    U   5           H2*        U   5  43.420  -4.096  -3.093
   51   2HO*    U   5          2HO*        U   5  43.361  -6.260  -3.627
   52    H1*    U   5           H1*        U   5  41.956  -4.929  -5.240
   53    H3     U   5           H3         U   5  44.465  -1.598  -6.946
   54    H5     U   5           H5         U   5  41.554   0.408  -4.676
   55    H6     U   5           H6         U   5  40.816  -1.743  -3.833
   56   1H5*    G   6          1H5*        G   6  43.457  -6.469  -1.537
   57   2H5*    G   6          2H5*        G   6  44.742  -6.693  -0.334
   58    H4*    G   6           H4*        G   6  45.489  -6.953  -2.737
   59    H3*    G   6           H3*        G   6  46.709  -4.846  -0.908
   60    H2*    G   6           H2*        G   6  48.236  -4.331  -2.647
   61   2HO*    G   6          2HO*        G   6  47.357  -6.550  -4.184
   62    H1*    G   6           H1*        G   6  46.455  -4.592  -4.747
   63    H8     G   6           H8         G   6  44.615  -2.558  -2.291
   64    H1     G   6           H1         G   6  49.538   0.744  -4.621
   65   1H2     G   6          1H2         G   6  50.870  -0.593  -5.778
   66   2H2     G   6          2H2         G   6  50.573  -2.307  -5.951
   67   1H5*    U   7          1H5*        U   7  49.461  -6.426  -2.317
   68   2H5*    U   7          2H5*        U   7  50.635  -7.504  -1.538
   69    H4*    U   7           H4*        U   7  52.174  -6.081  -2.421
   70    H3*    U   7           H3*        U   7  51.119  -4.575   0.001
   71    H2*    U   7           H2*        U   7  52.470  -2.736  -0.605
   72   2HO*    U   7          2HO*        U   7  54.209  -4.470  -1.282
   73    H1*    U   7           H1*        U   7  52.080  -2.858  -3.313
   74    H3     U   7           H3         U   7  49.947   0.943  -2.205
   75    H5     U   7           H5         U   7  47.762  -1.999  -0.179
   76    H6     U   7           H6         U   7  49.357  -3.651  -0.949
   77   1H5*    U   8          1H5*        U   8  55.970  -4.741   0.192
   78   2H5*    U   8          2H5*        U   8  56.175  -4.732   1.955
   79    H4*    U   8           H4*        U   8  57.562  -3.004   0.781
   80    H3*    U   8           H3*        U   8  55.415  -2.143   2.765
   81    H2*    U   8           H2*        U   8  56.186   0.097   2.488
   82   2HO*    U   8          2HO*        U   8  58.460  -1.197   1.442
   83    H1*    U   8           H1*        U   8  56.390   0.027  -0.220
   84    H3     U   8           H3         U   8  52.746   2.556   0.719
   85    H5     U   8           H5         U   8  51.435  -1.413   1.247
   86    H6     U   8           H6         U   8  53.735  -2.136   0.962
   87   1H5*    U   9          1H5*        U   9  59.142  -0.211   3.605
   88   2H5*    U   9          2H5*        U   9  59.265   0.273   5.307
   89    H4*    U   9           H4*        U   9  59.281   2.134   3.493
   90    H3*    U   9           H3*        U   9  57.455   2.159   5.935
   91    H2*    U   9           H2*        U   9  56.821   4.354   5.281
   92   2HO*    U   9          2HO*        U   9  58.058   5.263   3.357
   93    H1*    U   9           H1*        U   9  56.746   3.839   2.554
   94    H3     U   9           H3         U   9  52.587   4.954   4.214
   95    H5     U   9           H5         U   9  53.023   0.800   4.802
   96    H6     U   9           H6         U   9  55.345   1.018   4.194
   97   1H5*    U  10          1H5*        U  10  60.691   5.333   7.237
   98   2H5*    U  10          2H5*        U  10  60.390   5.455   8.983
   99    H4*    U  10           H4*        U  10  59.881   7.519   7.447
  100    H3*    U  10           H3*        U  10  58.023   6.397   9.586
  101    H2*    U  10           H2*        U  10  56.565   8.207   9.135
  102   2HO*    U  10          2HO*        U  10  58.749   9.388   7.714
  103    H1*    U  10           H1*        U  10  56.952   8.270   6.383
  104    H3     U  10           H3         U  10  52.585   7.380   7.522
  105    H5     U  10           H5         U  10  54.571   3.665   7.639
  106    H6     U  10           H6         U  10  56.670   4.852   7.374
  107   1H5*    U  11          1H5*        U  11  58.006  10.719  10.249
  108   2H5*    U  11          2H5*        U  11  58.317  10.870  11.990
  109    H4*    U  11           H4*        U  11  56.266  12.088  11.308
  110    H3*    U  11           H3*        U  11  55.988   9.683  13.148
  111    H2*    U  11           H2*        U  11  53.672  10.156  13.291
  112   2HO*    U  11          2HO*        U  11  53.357  12.421  11.919
  113    H1*    U  11           H1*        U  11  53.294  10.935  10.670
  114    H3     U  11           H3         U  11  50.811   7.176  11.359
  115    H5     U  11           H5         U  11  54.774   5.794  11.014
  116    H6     U  11           H6         U  11  55.505   8.092  10.957
  117   1H5*    C  12          1H5*        C  12  54.024  13.160  15.458
  118   2H5*    C  12          2H5*        C  12  54.339  12.685  17.139
  119    H4*    C  12           H4*        C  12  51.886  12.942  16.538
  120    H3*    C  12           H3*        C  12  53.025  10.323  17.595
  121    H2*    C  12           H2*        C  12  50.831   9.444  17.613
  122   2HO*    C  12          2HO*        C  12  50.045  12.180  17.490
  123    H1*    C  12           H1*        C  12  49.959  10.645  15.263
  124   1H4     C  12          1H4         C  12  51.371   4.564  14.073
  125   2H4     C  12          2H4         C  12  53.072   4.930  14.062
  126    H5     C  12           H5         C  12  53.951   7.102  14.559
  127    H6     C  12           H6         C  12  53.387   9.385  15.193
  128   1H5*    U  13          1H5*        U  13  51.211   8.470  21.268
  129   2H5*    U  13          2H5*        U  13  51.798   8.367  19.595
  130    H4*    U  13           H4*        U  13  48.854   8.676  19.839
  131    H3*    U  13           H3*        U  13  50.322   6.284  21.031
  132    H2*    U  13           H2*        U  13  48.650   4.891  20.131
  133   2HO*    U  13          2HO*        U  13  46.729   6.427  19.219
  134    H1*    U  13           H1*        U  13  48.083   6.472  17.852
  135    H3     U  13           H3         U  13  49.009   1.955  17.131
  136    H5     U  13           H5         U  13  52.637   4.072  16.741
  137    H6     U  13           H6         U  13  51.531   6.014  17.652
  138   1H5*    C  14          1H5*        C  14  46.335   5.610  21.561
  139   2H5*    C  14          2H5*        C  14  46.013   4.965  23.183
  140    H4*    C  14           H4*        C  14  45.268   3.443  21.352
  141    H3*    C  14           H3*        C  14  47.360   2.614  23.381
  142    H2*    C  14           H2*        C  14  47.626   0.521  22.328
  143   2HO*    C  14          2HO*        C  14  45.321   0.154  22.139
  144    H1*    C  14           H1*        C  14  47.411   1.348  19.713
  145   1H4     C  14          1H4         C  14  53.650   0.966  20.897
  146   2H4     C  14          2H4         C  14  53.596   2.489  21.756
  147    H5     C  14           H5         C  14  51.551   3.693  22.183
  148    H6     C  14           H6         C  14  49.114   3.687  21.870
  149   1H5*    G  15          1H5*        G  15  46.401  -0.036  27.093
  150   2H5*    G  15          2H5*        G  15  47.441   0.899  25.999
  151    H4*    G  15           H4*        G  15  46.544  -1.858  25.180
  152    H3*    G  15           H3*        G  15  47.696  -1.761  27.618
  153    H2*    G  15           H2*        G  15  49.424  -0.186  26.993
  154   2HO*    G  15          2HO*        G  15  50.488  -1.891  28.007
  155    H1*    G  15           H1*        G  15  50.094  -1.887  24.592
  156    H8     G  15           H8         G  15  51.878  -0.554  23.351
  157    H1     G  15           H1         G  15  50.020   5.038  25.776
  158   1H2     G  15          1H2         G  15  48.243   4.747  27.069
  159   2H2     G  15          2H2         G  15  47.522   3.177  27.329
  160   1H5*    C  16          1H5*        C  16  45.529  -4.177  22.870
  161   2H5*    C  16          2H5*        C  16  46.924  -5.148  23.384
  162    H4*    C  16           H4*        C  16  46.898  -2.573  21.790
  163    H3*    C  16           H3*        C  16  47.400  -5.390  21.242
  164    H2*    C  16           H2*        C  16  49.709  -5.293  21.470
  165   2HO*    C  16          2HO*        C  16  49.327  -4.927  19.137
  166    H1*    C  16           H1*        C  16  49.780  -2.296  21.201
  167   1H4     C  16          1H4         C  16  55.334  -3.480  24.079
  168   2H4     C  16          2H4         C  16  54.579  -4.631  25.158
  169    H5     C  16           H5         C  16  52.233  -5.213  25.045
  170    H6     C  16           H6         C  16  50.128  -4.799  23.880
  171   1H5*    U  17          1H5*        U  17  46.621  -3.924  16.177
  172   2H5*    U  17          2H5*        U  17  48.094  -4.653  15.511
  173    H4*    U  17           H4*        U  17  47.540  -1.843  16.288
  174    H3*    U  17           H3*        U  17  48.963  -3.310  14.157
  175    H2*    U  17           H2*        U  17  51.065  -2.531  14.696
  176   2HO*    U  17          2HO*        U  17  50.747   0.098  14.873
  177    H1*    U  17           H1*        U  17  50.086  -0.502  16.652
  178    H3     U  17           H3         U  17  54.745  -0.755  16.655
  179    H5     U  17           H5         U  17  53.305  -3.900  19.047
  180    H6     U  17           H6         U  17  51.059  -3.433  18.191
  181   1H5*    G  18          1H5*        G  18  44.700  -2.057  13.449
  182   2H5*    G  18          2H5*        G  18  44.306  -1.168  11.964
  183    H4*    G  18           H4*        G  18  42.894  -0.456  13.877
  184    H3*    G  18           H3*        G  18  44.659   1.406  12.358
  185    H2*    G  18           H2*        G  18  44.670   3.137  13.949
  186   2HO*    G  18          2HO*        G  18  42.837   3.636  14.875
  187    H1*    G  18           H1*        G  18  44.684   1.741  16.281
  188    H8     G  18           H8         G  18  46.981  -0.434  14.772
  189    H1     G  18           H1         G  18  49.582   5.360  14.712
  190   1H2     G  18          1H2         G  18  48.024   6.906  15.099
  191   2H2     G  18          2H2         G  18  46.344   6.501  15.373
  192   1H5*    A  19          1H5*        A  19  41.729   3.810  12.900
  193   2H5*    A  19          2H5*        A  19  40.499   3.988  11.633
  194    H4*    A  19           H4*        A  19  40.916   6.214  11.965
  195    H3*    A  19           H3*        A  19  43.096   5.246  10.085
  196    H2*    A  19           H2*        A  19  44.021   7.459  10.099
  197   2HO*    A  19          2HO*        A  19  42.950   9.182  11.090
  198    H1*    A  19           H1*        A  19  44.078   7.697  12.763
  199    H8     A  19           H8         A  19  44.282   4.028  11.892
  200   1H6     A  19          1H6         A  19  50.352   4.746  11.235
  201   2H6     A  19          2H6         A  19  49.045   3.586  11.314
  202    H2     A  19           H2         A  19  48.506   8.810  11.708
  203   1H5*    C  20          1H5*        C  20  42.099   8.566   8.955
  204   2H5*    C  20          2H5*        C  20  42.158   9.090   7.261
  205    H4*    C  20           H4*        C  20  43.921  10.160   8.664
  206    H3*    C  20           H3*        C  20  44.815   8.247   6.463
  207    H2*    C  20           H2*        C  20  47.019   9.036   6.899
  208   2HO*    C  20          2HO*        C  20  46.202  11.308   7.045
  209    H1*    C  20           H1*        C  20  46.681   9.207   9.666
  210   1H4     C  20          1H4         C  20  50.203   4.083   8.266
  211   2H4     C  20          2H4         C  20  48.768   3.104   8.491
  212    H5     C  20           H5         C  20  46.567   4.048   8.814
  213    H6     C  20           H6         C  20  45.268   6.121   8.971
  214   1H5*    U  21          1H5*        U  21  46.644  11.731   5.133
  215   2H5*    U  21          2H5*        U  21  46.751  11.707   3.361
  216    H4*    U  21           H4*        U  21  48.961  11.458   4.654
  217    H3*    U  21           H3*        U  21  47.963   9.626   2.465
  218    H2*    U  21           H2*        U  21  49.632   8.082   2.864
  219   2HO*    U  21          2HO*        U  21  51.594   9.448   4.074
  220    H1*    U  21           H1*        U  21  50.415   8.987   5.497
  221    H3     U  21           H3         U  21  50.671   4.429   5.394
  222    H5     U  21           H5         U  21  46.570   5.331   5.703
  223    H6     U  21           H6         U  21  47.124   7.652   5.270
  224   1H5*    U  22          1H5*        U  22  52.102  10.781   1.835
  225   2H5*    U  22          2H5*        U  22  52.473  11.101   0.130
  226    H4*    U  22           H4*        U  22  54.076   9.495   1.041
  227    H3*    U  22           H3*        U  22  52.066   8.450  -0.987
  228    H2*    U  22           H2*        U  22  53.071   6.326  -0.850
  229   2HO*    U  22          2HO*        U  22  55.234   7.081   0.739
  230    H1*    U  22           H1*        U  22  53.661   6.334   1.848
  231    H3     U  22           H3         U  22  50.693   2.971   1.365
  232    H5     U  22           H5         U  22  48.379   6.454   0.865
  233    H6     U  22           H6         U  22  50.440   7.731   0.920
  234   1H5*    U  23          1H5*        U  23  56.102   7.469  -2.067
  235   2H5*    U  23          2H5*        U  23  56.519   8.147  -3.654
  236    H4*    U  23           H4*        U  23  57.411   5.988  -3.787
  237    H3*    U  23           H3*        U  23  54.620   6.075  -4.962
  238    H2*    U  23           H2*        U  23  54.689   3.753  -5.350
  239   2HO*    U  23          2HO*        U  23  56.503   3.075  -6.196
  240    H1*    U  23           H1*        U  23  56.071   2.977  -3.116
  241    H3     U  23           H3         U  23  52.081   1.075  -2.311
  242    H5     U  23           H5         U  23  51.271   5.201  -2.038
  243    H6     U  23           H6         U  23  53.532   5.628  -2.799
  244   1H5*    C  24          1H5*        C  24  57.094   4.278  -8.481
  245   2H5*    C  24          2H5*        C  24  56.077   4.737  -9.862
  246    H4*    C  24           H4*        C  24  56.361   2.224  -9.446
  247    H3*    C  24           H3*        C  24  53.653   3.599  -9.634
  248    H2*    C  24           H2*        C  24  52.623   1.469  -9.450
  249   2HO*    C  24          2HO*        C  24  53.842  -0.464  -9.674
  250    H1*    C  24           H1*        C  24  54.334   0.426  -7.552
  251   1H4     C  24          1H4         C  24  49.160   2.453  -4.434
  252   2H4     C  24          2H4         C  24  49.698   4.109  -4.583
  253    H5     C  24           H5         C  24  51.657   4.758  -5.809
  254    H6     C  24           H6         C  24  53.542   3.961  -7.160
  255   1H5*    A  25          1H5*        A  25  54.275   0.207 -11.831
  256   2H5*    A  25          2H5*        A  25  53.271  -0.180 -13.242
  257    H4*    A  25           H4*        A  25  53.173  -1.705 -11.087
  258    H3*    A  25           H3*        A  25  50.897  -0.744 -12.836
  259    H2*    A  25           H2*        A  25  49.319  -1.671 -11.412
  260   2HO*    A  25          2HO*        A  25  51.310  -3.574 -11.116
  261    H1*    A  25           H1*        A  25  50.829  -1.620  -9.009
  262    H8     A  25           H8         A  25  50.457   1.791 -10.286
  263   1H6     A  25          1H6         A  25  44.845   1.930  -7.719
  264   2H6     A  25          2H6         A  25  46.113   2.902  -8.433
  265    H2     A  25           H2         A  25  46.254  -2.328  -7.815
  266   1H5*    G  26          1H5*        G  26  51.743  -5.136 -11.855
  267   2H5*    G  26          2H5*        G  26  51.473  -6.154 -13.283
  268    H4*    G  26           H4*        G  26  50.793  -7.476 -11.424
  269    H3*    G  26           H3*        G  26  48.491  -6.227 -12.947
  270    H2*    G  26           H2*        G  26  46.937  -7.184 -11.421
  271   2HO*    G  26          2HO*        G  26  48.219  -8.567  -9.660
  272    H1*    G  26           H1*        G  26  48.231  -6.605  -9.140
  273    H8     G  26           H8         G  26  48.954  -3.821 -11.417
  274    H1     G  26           H1         G  26  43.031  -3.442  -9.190
  275   1H2     G  26          1H2         G  26  42.473  -5.321  -8.166
  276   2H2     G  26          2H2         G  26  43.567  -6.681  -8.035
  277   1H5*    C  27          1H5*        C  27  47.723  -9.727 -11.720
  278   2H5*    C  27          2H5*        C  27  47.439 -11.093 -12.817
  279    H4*    C  27           H4*        C  27  45.780 -11.321 -11.144
  280    H3*    C  27           H3*        C  27  44.740 -10.028 -13.681
  281    H2*    C  27           H2*        C  27  42.580  -9.784 -12.677
  282   2HO*    C  27          2HO*        C  27  41.960 -10.908 -10.893
  283    H1*    C  27           H1*        C  27  43.382  -8.831 -10.315
  284   1H4     C  27          1H4         C  27  42.958  -3.500 -13.705
  285   2H4     C  27          2H4         C  27  44.507  -3.824 -14.449
  286    H5     C  27           H5         C  27  45.736  -5.861 -14.095
  287    H6     C  27           H6         C  27  45.758  -8.021 -12.971
  288   1H5*    C  28          1H5*        C  28  42.129 -12.293 -12.628
  289   2H5*    C  28          2H5*        C  28  41.266 -13.450 -13.661
  290    H4*    C  28           H4*        C  28  39.606 -11.908 -12.955
  291    H3*    C  28           H3*        C  28  40.655 -11.234 -15.734
  292    H2*    C  28           H2*        C  28  39.052  -9.484 -15.831
  293   2HO*    C  28          2HO*        C  28  37.771  -9.898 -13.437
  294    H1*    C  28           H1*        C  28  39.323  -8.644 -13.206
  295   1H4     C  28          1H4         C  28  42.794  -4.706 -16.802
  296   2H4     C  28          2H4         C  28  44.096  -5.873 -16.849
  297    H5     C  28           H5         C  28  43.925  -8.082 -15.887
  298    H6     C  28           H6         C  28  42.476  -9.642 -14.719
  299   1H5*    C  29          1H5*        C  29  36.602 -11.335 -16.499
  300   2H5*    C  29          2H5*        C  29  36.228 -12.797 -17.434
  301    H4*    C  29           H4*        C  29  35.114 -11.250 -18.730
  302    H3*    C  29           H3*        C  29  38.003 -11.274 -19.676
  303    H2*    C  29           H2*        C  29  37.488  -9.566 -21.215
  304   2HO*    C  29          2HO*        C  29  35.269  -9.033 -21.687
  305    H1*    C  29           H1*        C  29  35.698  -8.159 -19.654
  306   1H4     C  29          1H4         C  29  41.018  -4.749 -19.260
  307   2H4     C  29          2H4         C  29  41.921  -6.115 -18.646
  308    H5     C  29           H5         C  29  40.961  -8.297 -18.338
  309    H6     C  29           H6         C  29  38.928  -9.649 -18.538
  310   1H5*    C  30          1H5*        C  30  35.043 -10.942 -22.965
  311   2H5*    C  30          2H5*        C  30  35.876 -11.236 -24.505
  312    H4*    C  30           H4*        C  30  35.000  -8.836 -24.016
  313    H3*    C  30           H3*        C  30  37.834  -9.475 -24.893
  314    H2*    C  30           H2*        C  30  38.240  -7.175 -25.041
  315   2HO*    C  30          2HO*        C  30  35.677  -7.099 -25.815
  316    H1*    C  30           H1*        C  30  36.605  -6.441 -22.870
  317   1H4     C  30          1H4         C  30  42.587  -5.801 -20.843
  318   2H4     C  30          2H4         C  30  42.856  -7.525 -20.963
  319    H5     C  30           H5         C  30  41.199  -9.061 -21.812
  320    H6     C  30           H6         C  30  38.946  -9.276 -22.728
  321    H3T    C  30           H3T        C  30  36.947  -8.979 -26.900
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  38.318   2.113 -25.088
    2   2H5*    G   1          2H5*        G   1  39.216   3.435 -24.316
    3    H4*    G   1           H4*        G   1  36.954   3.465 -23.463
    4    H3*    G   1           H3*        G   1  39.187   2.629 -21.639
    5    H2*    G   1           H2*        G   1  37.709   1.912 -19.900
    6   2HO*    G   1          2HO*        G   1  35.888   3.587 -21.276
    7    H1*    G   1           H1*        G   1  35.818   0.680 -21.385
    8    H8     G   1           H8         G   1  39.495   0.477 -22.576
    9    H1     G   1           H1         G   1  37.562  -4.500 -19.111
   10   1H2     G   1          1H2         G   1  35.505  -4.157 -18.357
   11   2H2     G   1          2H2         G   1  34.608  -2.695 -18.703
   12    H5T    G   1           H5T        G   1  40.536   2.013 -23.579
   13   1H5*    G   2          1H5*        G   2  36.362   4.038 -19.368
   14   2H5*    G   2          2H5*        G   2  36.891   4.974 -17.957
   15    H4*    G   2           H4*        G   2  35.805   2.801 -17.345
   16    H3*    G   2           H3*        G   2  38.655   3.470 -16.614
   17    H2*    G   2           H2*        G   2  39.075   1.326 -15.883
   18   2HO*    G   2          2HO*        G   2  37.407   1.633 -14.237
   19    H1*    G   2           H1*        G   2  36.864  -0.023 -17.130
   20    H8     G   2           H8         G   2  39.704   1.358 -19.171
   21    H1     G   2           H1         G   2  41.083  -4.296 -16.574
   22   1H2     G   2          1H2         G   2  39.453  -4.906 -15.195
   23   2H2     G   2          2H2         G   2  38.035  -3.918 -14.923
   24   1H5*    G   3          1H5*        G   3  35.585   2.806 -13.069
   25   2H5*    G   3          2H5*        G   3  36.270   3.238 -11.489
   26    H4*    G   3           H4*        G   3  35.288   0.880 -11.701
   27    H3*    G   3           H3*        G   3  38.075   1.525 -10.706
   28    H2*    G   3           H2*        G   3  38.560  -0.753 -10.467
   29   2HO*    G   3          2HO*        G   3  36.982  -2.321 -10.220
   30    H1*    G   3           H1*        G   3  37.159  -1.745 -12.616
   31    H8     G   3           H8         G   3  39.138   1.186 -13.737
   32    H1     G   3           H1         G   3  42.783  -3.979 -12.946
   33   1H2     G   3          1H2         G   3  41.666  -5.542 -11.839
   34   2H2     G   3          2H2         G   3  40.017  -5.310 -11.298
   35   1H5*    C   4          1H5*        C   4  36.263  -1.496  -8.757
   36   2H5*    C   4          2H5*        C   4  35.922  -1.173  -7.046
   37    H4*    C   4           H4*        C   4  36.661  -3.409  -7.049
   38    H3*    C   4           H3*        C   4  38.900  -1.481  -6.362
   39    H2*    C   4           H2*        C   4  40.399  -3.322  -6.143
   40   2HO*    C   4          2HO*        C   4  38.236  -5.135  -6.534
   41    H1*    C   4           H1*        C   4  39.657  -4.645  -8.383
   42   1H4     C   4          1H4         C   4  44.288  -0.702 -10.272
   43   2H4     C   4          2H4         C   4  43.192   0.647 -10.201
   44    H5     C   4           H5         C   4  40.956   0.489  -9.416
   45    H6     C   4           H6         C   4  39.229  -0.994  -8.523
   46   1H5*    U   5          1H5*        U   5  38.939  -4.533  -3.544
   47   2H5*    U   5          2H5*        U   5  39.739  -4.119  -2.015
   48    H4*    U   5           H4*        U   5  41.008  -5.784  -3.411
   49    H3*    U   5           H3*        U   5  42.243  -3.083  -2.747
   50    H2*    U   5           H2*        U   5  44.262  -3.916  -3.720
   51   2HO*    U   5          2HO*        U   5  43.771  -6.341  -4.545
   52    H1*    U   5           H1*        U   5  43.081  -5.071  -5.898
   53    H3     U   5           H3         U   5  45.263  -1.476  -7.561
   54    H5     U   5           H5         U   5  41.944   0.182  -5.609
   55    H6     U   5           H6         U   5  41.412  -2.020  -4.754
   56   1H5*    G   6          1H5*        G   6  44.301  -6.191  -2.158
   57   2H5*    G   6          2H5*        G   6  45.521  -6.481  -0.902
   58    H4*    G   6           H4*        G   6  46.455  -6.650  -3.208
   59    H3*    G   6           H3*        G   6  47.440  -4.452  -1.349
   60    H2*    G   6           H2*        G   6  49.044  -3.884  -3.004
   61   2HO*    G   6          2HO*        G   6  49.455  -5.294  -4.787
   62    H1*    G   6           H1*        G   6  47.397  -4.254  -5.199
   63    H8     G   6           H8         G   6  45.314  -2.315  -2.867
   64    H1     G   6           H1         G   6  50.192   1.201  -4.956
   65   1H2     G   6          1H2         G   6  51.649  -0.088  -6.036
   66   2H2     G   6          2H2         G   6  51.431  -1.815  -6.203
   67   1H5*    U   7          1H5*        U   7  50.323  -5.945  -2.521
   68   2H5*    U   7          2H5*        U   7  51.497  -6.986  -1.694
   69    H4*    U   7           H4*        U   7  53.029  -5.507  -2.493
   70    H3*    U   7           H3*        U   7  51.798  -4.045  -0.128
   71    H2*    U   7           H2*        U   7  53.087  -2.148  -0.672
   72   2HO*    U   7          2HO*        U   7  54.965  -3.732  -1.173
   73    H1*    U   7           H1*        U   7  52.872  -2.304  -3.401
   74    H3     U   7           H3         U   7  50.549   1.437  -2.478
   75    H5     U   7           H5         U   7  48.339  -1.551  -0.567
   76    H6     U   7           H6         U   7  50.031  -3.162  -1.208
   77   1H5*    U   8          1H5*        U   8  56.661  -4.067   0.306
   78   2H5*    U   8          2H5*        U   8  56.774  -4.033   2.077
   79    H4*    U   8           H4*        U   8  58.165  -2.281   0.881
   80    H3*    U   8           H3*        U   8  56.063  -1.596   2.962
   81    H2*    U   8           H2*        U   8  56.562   0.705   2.713
   82   2HO*    U   8          2HO*        U   8  58.762   0.130   1.012
   83    H1*    U   8           H1*        U   8  56.804   0.758  -0.005
   84    H3     U   8           H3         U   8  52.980   2.964   1.076
   85    H5     U   8           H5         U   8  51.953  -1.115   1.273
   86    H6     U   8           H6         U   8  54.304  -1.650   0.989
   87   1H5*    U   9          1H5*        U   9  59.657   0.920   3.406
   88   2H5*    U   9          2H5*        U   9  59.856   1.261   5.135
   89    H4*    U   9           H4*        U   9  59.538   3.268   3.512
   90    H3*    U   9           H3*        U   9  57.966   2.846   6.083
   91    H2*    U   9           H2*        U   9  56.886   4.901   5.705
   92   2HO*    U   9          2HO*        U   9  58.744   5.583   3.661
   93    H1*    U   9           H1*        U   9  56.839   4.764   2.897
   94    H3     U   9           H3         U   9  52.556   5.258   4.422
   95    H5     U   9           H5         U   9  53.495   1.191   5.040
   96    H6     U   9           H6         U   9  55.787   1.696   4.451
   97   1H5*    U  10          1H5*        U  10  60.701   6.413   7.464
   98   2H5*    U  10          2H5*        U  10  60.491   6.296   9.222
   99    H4*    U  10           H4*        U  10  59.503   8.362   7.954
  100    H3*    U  10           H3*        U  10  57.975   6.685   9.991
  101    H2*    U  10           H2*        U  10  56.236   8.275   9.798
  102   2HO*    U  10          2HO*        U  10  56.873  10.275   8.424
  103    H1*    U  10           H1*        U  10  56.599   8.800   7.060
  104    H3     U  10           H3         U  10  52.317   7.401   7.800
  105    H5     U  10           H5         U  10  54.636   3.885   7.964
  106    H6     U  10           H6         U  10  56.626   5.273   7.844
  107   1H5*    U  11          1H5*        U  11  57.608  11.029  11.155
  108   2H5*    U  11          2H5*        U  11  57.740  10.973  12.924
  109    H4*    U  11           H4*        U  11  55.660  12.121  12.067
  110    H3*    U  11           H3*        U  11  55.488   9.663  13.852
  111    H2*    U  11           H2*        U  11  53.138   9.923  13.861
  112   2HO*    U  11          2HO*        U  11  53.564  12.540  12.798
  113    H1*    U  11           H1*        U  11  52.852  10.774  11.246
  114    H3     U  11           H3         U  11  50.554   6.878  11.565
  115    H5     U  11           H5         U  11  54.599   5.709  11.548
  116    H6     U  11           H6         U  11  55.210   8.044  11.639
  117   1H5*    C  12          1H5*        C  12  53.348  12.964  16.313
  118   2H5*    C  12          2H5*        C  12  53.453  12.312  17.960
  119    H4*    C  12           H4*        C  12  51.095  12.608  16.968
  120    H3*    C  12           H3*        C  12  52.133   9.999  18.148
  121    H2*    C  12           H2*        C  12  49.982   9.075  17.824
  122   2HO*    C  12          2HO*        C  12  49.149  11.793  17.605
  123    H1*    C  12           H1*        C  12  49.432  10.319  15.395
  124   1H4     C  12          1H4         C  12  51.086   4.273  14.307
  125   2H4     C  12          2H4         C  12  52.770   4.677  14.500
  126    H5     C  12           H5         C  12  53.530   6.863  15.133
  127    H6     C  12           H6         C  12  52.842   9.109  15.741
  128   1H5*    U  13          1H5*        U  13  50.264   7.970  21.351
  129   2H5*    U  13          2H5*        U  13  50.877   8.030  19.686
  130    H4*    U  13           H4*        U  13  47.939   7.994  19.768
  131    H3*    U  13           H3*        U  13  49.503   5.843  21.242
  132    H2*    U  13           H2*        U  13  48.200   4.197  20.210
  133   2HO*    U  13          2HO*        U  13  46.154   5.882  19.328
  134    H1*    U  13           H1*        U  13  47.486   5.698  17.881
  135    H3     U  13           H3         U  13  48.761   1.315  17.043
  136    H5     U  13           H5         U  13  52.276   3.653  17.000
  137    H6     U  13           H6         U  13  50.993   5.485  17.904
  138   1H5*    C  14          1H5*        C  14  45.893   4.940  21.388
  139   2H5*    C  14          2H5*        C  14  45.033   4.824  22.935
  140    H4*    C  14           H4*        C  14  44.477   2.829  21.817
  141    H3*    C  14           H3*        C  14  46.670   2.502  23.864
  142    H2*    C  14           H2*        C  14  47.081   0.275  23.241
  143   2HO*    C  14          2HO*        C  14  45.373  -0.926  22.924
  144    H1*    C  14           H1*        C  14  46.694   0.474  20.529
  145   1H4     C  14          1H4         C  14  52.986   0.890  21.290
  146   2H4     C  14          2H4         C  14  52.828   2.509  21.932
  147    H5     C  14           H5         C  14  50.699   3.574  22.325
  148    H6     C  14           H6         C  14  48.262   3.304  22.175
  149   1H5*    G  15          1H5*        G  15  45.699  -0.754  27.544
  150   2H5*    G  15          2H5*        G  15  46.716   0.548  26.892
  151    H4*    G  15           H4*        G  15  46.328  -2.094  25.452
  152    H3*    G  15           H3*        G  15  47.561  -2.026  27.908
  153    H2*    G  15           H2*        G  15  49.066  -0.228  27.327
  154   2HO*    G  15          2HO*        G  15  50.257  -2.771  26.843
  155    H1*    G  15           H1*        G  15  49.600  -1.684  24.724
  156    H8     G  15           H8         G  15  51.446  -0.294  23.649
  157    H1     G  15           H1         G  15  49.463   5.179  26.246
  158   1H2     G  15          1H2         G  15  47.676   4.812  27.508
  159   2H2     G  15          2H2         G  15  46.979   3.221  27.704
  160   1H5*    C  16          1H5*        C  16  45.607  -4.610  23.013
  161   2H5*    C  16          2H5*        C  16  47.069  -5.438  23.588
  162    H4*    C  16           H4*        C  16  46.859  -2.924  21.912
  163    H3*    C  16           H3*        C  16  47.557  -5.705  21.431
  164    H2*    C  16           H2*        C  16  49.852  -5.475  21.723
  165   2HO*    C  16          2HO*        C  16  49.500  -5.162  19.367
  166    H1*    C  16           H1*        C  16  49.795  -2.486  21.389
  167   1H4     C  16          1H4         C  16  55.244  -3.298  24.574
  168   2H4     C  16          2H4         C  16  54.523  -4.527  25.590
  169    H5     C  16           H5         C  16  52.239  -5.276  25.342
  170    H6     C  16           H6         C  16  50.169  -4.995  24.072
  171   1H5*    U  17          1H5*        U  17  46.563  -4.367  16.382
  172   2H5*    U  17          2H5*        U  17  47.982  -5.135  15.647
  173    H4*    U  17           H4*        U  17  47.487  -2.301  16.287
  174    H3*    U  17           H3*        U  17  48.986  -3.898  14.295
  175    H2*    U  17           H2*        U  17  51.067  -3.059  14.839
  176   2HO*    U  17          2HO*        U  17  50.693  -0.424  14.909
  177    H1*    U  17           H1*        U  17  50.039  -0.954  16.677
  178    H3     U  17           H3         U  17  54.678  -1.173  16.837
  179    H5     U  17           H5         U  17  53.213  -4.284  19.263
  180    H6     U  17           H6         U  17  50.986  -3.861  18.342
  181   1H5*    G  18          1H5*        G  18  44.838  -2.856  13.364
  182   2H5*    G  18          2H5*        G  18  44.427  -2.114  11.804
  183    H4*    G  18           H4*        G  18  42.919  -1.343  13.608
  184    H3*    G  18           H3*        G  18  44.619   0.506  12.012
  185    H2*    G  18           H2*        G  18  44.551   2.326  13.492
  186   2HO*    G  18          2HO*        G  18  42.421   1.265  15.017
  187    H1*    G  18           H1*        G  18  44.448   1.090  15.927
  188    H8     G  18           H8         G  18  46.973  -1.016  14.608
  189    H1     G  18           H1         G  18  49.241   4.918  14.775
  190   1H2     G  18          1H2         G  18  47.575   6.367  15.036
  191   2H2     G  18          2H2         G  18  45.904   5.867  15.173
  192   1H5*    A  19          1H5*        A  19  41.614   2.834  12.666
  193   2H5*    A  19          2H5*        A  19  40.367   2.949  11.409
  194    H4*    A  19           H4*        A  19  40.614   5.192  11.817
  195    H3*    A  19           H3*        A  19  42.816   4.452   9.862
  196    H2*    A  19           H2*        A  19  43.569   6.726   9.924
  197   2HO*    A  19          2HO*        A  19  41.092   7.150  11.261
  198    H1*    A  19           H1*        A  19  43.627   6.916  12.598
  199    H8     A  19           H8         A  19  44.198   3.327  11.522
  200   1H6     A  19          1H6         A  19  50.189   4.675  11.227
  201   2H6     A  19          2H6         A  19  49.004   3.389  11.173
  202    H2     A  19           H2         A  19  47.916   8.502  11.820
  203   1H5*    C  20          1H5*        C  20  41.671   7.959   8.723
  204   2H5*    C  20          2H5*        C  20  41.855   8.277   6.988
  205    H4*    C  20           H4*        C  20  43.454   9.539   8.517
  206    H3*    C  20           H3*        C  20  44.510   7.685   6.340
  207    H2*    C  20           H2*        C  20  46.656   8.580   6.832
  208   2HO*    C  20          2HO*        C  20  45.339  10.613   8.354
  209    H1*    C  20           H1*        C  20  46.213   8.799   9.596
  210   1H4     C  20          1H4         C  20  50.181   3.960   8.422
  211   2H4     C  20          2H4         C  20  48.821   2.869   8.585
  212    H5     C  20           H5         C  20  46.533   3.636   8.796
  213    H6     C  20           H6         C  20  45.070   5.604   8.877
  214   1H5*    U  21          1H5*        U  21  45.791  11.351   4.755
  215   2H5*    U  21          2H5*        U  21  45.971  11.252   2.991
  216    H4*    U  21           H4*        U  21  48.131  11.253   4.429
  217    H3*    U  21           H3*        U  21  47.419   9.411   2.155
  218    H2*    U  21           H2*        U  21  49.039   7.877   2.702
  219   2HO*    U  21          2HO*        U  21  50.960   9.417   3.854
  220    H1*    U  21           H1*        U  21  49.783   9.014   5.304
  221    H3     U  21           H3         U  21  50.627   4.521   5.427
  222    H5     U  21           H5         U  21  46.439   4.895   5.654
  223    H6     U  21           H6         U  21  46.695   7.252   5.130
  224   1H5*    U  22          1H5*        U  22  51.741  11.190   1.507
  225   2H5*    U  22          2H5*        U  22  51.879  11.353  -0.255
  226    H4*    U  22           H4*        U  22  53.801  10.129   0.800
  227    H3*    U  22           H3*        U  22  52.035   8.857  -1.306
  228    H2*    U  22           H2*        U  22  53.259   6.848  -1.166
  229   2HO*    U  22          2HO*        U  22  55.247   8.343   0.239
  230    H1*    U  22           H1*        U  22  53.714   6.806   1.539
  231    H3     U  22           H3         U  22  50.955   3.332   0.398
  232    H5     U  22           H5         U  22  48.440   6.659   0.970
  233    H6     U  22           H6         U  22  50.431   8.038   1.082
  234   1H5*    U  23          1H5*        U  23  56.473   8.389  -2.528
  235   2H5*    U  23          2H5*        U  23  56.471   8.977  -4.202
  236    H4*    U  23           H4*        U  23  57.680   6.890  -4.169
  237    H3*    U  23           H3*        U  23  54.898   6.805  -5.363
  238    H2*    U  23           H2*        U  23  55.115   4.491  -5.753
  239   2HO*    U  23          2HO*        U  23  57.609   5.118  -6.263
  240    H1*    U  23           H1*        U  23  56.503   3.799  -3.500
  241    H3     U  23           H3         U  23  52.592   1.687  -2.815
  242    H5     U  23           H5         U  23  51.573   5.764  -2.490
  243    H6     U  23           H6         U  23  53.834   6.318  -3.184
  244   1H5*    C  24          1H5*        C  24  57.539   5.097  -8.810
  245   2H5*    C  24          2H5*        C  24  56.530   5.485 -10.218
  246    H4*    C  24           H4*        C  24  56.957   2.999  -9.781
  247    H3*    C  24           H3*        C  24  54.176   4.205 -10.041
  248    H2*    C  24           H2*        C  24  53.270   2.018  -9.855
  249   2HO*    C  24          2HO*        C  24  55.903   0.932 -10.047
  250    H1*    C  24           H1*        C  24  54.993   1.094  -7.907
  251   1H4     C  24          1H4         C  24  49.632   2.876  -4.956
  252   2H4     C  24          2H4         C  24  50.078   4.558  -5.119
  253    H5     C  24           H5         C  24  52.034   5.299  -6.301
  254    H6     C  24           H6         C  24  53.999   4.588  -7.581
  255   1H5*    A  25          1H5*        A  25  55.029   0.842 -12.198
  256   2H5*    A  25          2H5*        A  25  54.080   0.407 -13.633
  257    H4*    A  25           H4*        A  25  53.993  -1.126 -11.493
  258    H3*    A  25           H3*        A  25  51.685  -0.225 -13.239
  259    H2*    A  25           H2*        A  25  50.160  -1.283 -11.839
  260   2HO*    A  25          2HO*        A  25  51.645  -2.850 -10.249
  261    H1*    A  25           H1*        A  25  51.640  -1.138  -9.429
  262    H8     A  25           H8         A  25  51.107   2.253 -10.709
  263   1H6     A  25          1H6         A  25  45.390   2.039  -8.370
  264   2H6     A  25          2H6         A  25  46.623   3.094  -9.030
  265    H2     A  25           H2         A  25  47.072  -2.122  -8.410
  266   1H5*    G  26          1H5*        G  26  52.857  -5.122 -13.220
  267   2H5*    G  26          2H5*        G  26  51.797  -5.787 -14.477
  268    H4*    G  26           H4*        G  26  51.908  -7.114 -12.303
  269    H3*    G  26           H3*        G  26  49.327  -6.106 -13.540
  270    H2*    G  26           H2*        G  26  48.099  -7.132 -11.765
  271   2HO*    G  26          2HO*        G  26  48.834  -8.868 -10.785
  272    H1*    G  26           H1*        G  26  49.636  -6.278  -9.741
  273    H8     G  26           H8         G  26  49.914  -3.432 -11.932
  274    H1     G  26           H1         G  26  43.965  -3.845  -9.762
  275   1H2     G  26          1H2         G  26  43.624  -5.845  -8.850
  276   2H2     G  26          2H2         G  26  44.868  -7.072  -8.781
  277   1H5*    C  27          1H5*        C  27  48.912 -10.110 -12.714
  278   2H5*    C  27          2H5*        C  27  48.107 -11.113 -13.936
  279    H4*    C  27           H4*        C  27  46.941 -11.288 -11.785
  280    H3*    C  27           H3*        C  27  45.529  -9.867 -14.069
  281    H2*    C  27           H2*        C  27  43.599  -9.636 -12.639
  282   2HO*    C  27          2HO*        C  27  44.982 -11.558 -11.104
  283    H1*    C  27           H1*        C  27  44.915  -8.644 -10.549
  284   1H4     C  27          1H4         C  27  43.955  -3.498 -14.151
  285   2H4     C  27          2H4         C  27  45.491  -3.782 -14.936
  286    H5     C  27           H5         C  27  46.816  -5.748 -14.562
  287    H6     C  27           H6         C  27  46.972  -7.871 -13.382
  288   1H5*    C  28          1H5*        C  28  43.079 -11.975 -12.569
  289   2H5*    C  28          2H5*        C  28  41.937 -13.040 -13.411
  290    H4*    C  28           H4*        C  28  40.610 -11.384 -12.312
  291    H3*    C  28           H3*        C  28  40.995 -10.786 -15.277
  292    H2*    C  28           H2*        C  28  39.435  -9.001 -14.993
  293   2HO*    C  28          2HO*        C  28  38.941  -9.688 -12.293
  294    H1*    C  28           H1*        C  28  40.459  -8.109 -12.595
  295   1H4     C  28          1H4         C  28  43.025  -4.568 -17.230
  296   2H4     C  28          2H4         C  28  44.338  -5.717 -17.362
  297    H5     C  28           H5         C  28  44.387  -7.812 -16.146
  298    H6     C  28           H6         C  28  43.195  -9.241 -14.602
  299   1H5*    C  29          1H5*        C  29  37.171 -10.908 -14.406
  300   2H5*    C  29          2H5*        C  29  36.208 -12.321 -14.887
  301    H4*    C  29           H4*        C  29  34.662 -10.661 -15.296
  302    H3*    C  29           H3*        C  29  36.359 -10.973 -17.793
  303    H2*    C  29           H2*        C  29  35.188  -9.183 -18.810
  304   2HO*    C  29          2HO*        C  29  33.390  -8.755 -16.726
  305    H1*    C  29           H1*        C  29  35.091  -7.515 -16.670
  306   1H4     C  29          1H4         C  29  40.281  -5.705 -19.844
  307   2H4     C  29          2H4         C  29  41.079  -7.223 -19.505
  308    H5     C  29           H5         C  29  40.035  -9.018 -18.307
  309    H6     C  29           H6         C  29  38.009  -9.761 -17.156
  310   1H5*    C  30          1H5*        C  30  32.326  -9.948 -18.772
  311   2H5*    C  30          2H5*        C  30  32.025 -10.374 -20.467
  312    H4*    C  30           H4*        C  30  32.132  -7.858 -19.836
  313    H3*    C  30           H3*        C  30  33.771  -9.080 -22.080
  314    H2*    C  30           H2*        C  30  34.374  -6.891 -22.677
  315   2HO*    C  30          2HO*        C  30  33.248  -5.062 -21.806
  316    H1*    C  30           H1*        C  30  34.511  -5.928 -20.042
  317   1H4     C  30          1H4         C  30  40.481  -6.595 -22.114
  318   2H4     C  30          2H4         C  30  40.355  -8.337 -22.003
  319    H5     C  30           H5         C  30  38.311  -9.473 -21.401
  320    H6     C  30           H6         C  30  35.969  -9.194 -20.795
  321    H3T    C  30           H3T        C  30  31.766  -7.557 -22.886
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  37.164   2.464 -24.303
    2   2H5*    G   1          2H5*        G   1  37.915   3.984 -23.777
    3    H4*    G   1           H4*        G   1  35.855   3.986 -22.650
    4    H3*    G   1           H3*        G   1  38.174   3.093 -20.971
    5    H2*    G   1           H2*        G   1  36.792   2.334 -19.173
    6   2HO*    G   1          2HO*        G   1  34.394   2.863 -19.443
    7    H1*    G   1           H1*        G   1  34.813   1.154 -20.576
    8    H8     G   1           H8         G   1  38.415   0.963 -21.984
    9    H1     G   1           H1         G   1  36.605  -4.133 -18.625
   10   1H2     G   1          1H2         G   1  34.610  -3.782 -17.721
   11   2H2     G   1          2H2         G   1  33.724  -2.290 -17.944
   12    H5T    G   1           H5T        G   1  39.364   2.912 -22.665
   13   1H5*    G   2          1H5*        G   2  35.612   4.582 -18.627
   14   2H5*    G   2          2H5*        G   2  36.118   5.551 -17.230
   15    H4*    G   2           H4*        G   2  35.103   3.404 -16.523
   16    H3*    G   2           H3*        G   2  38.001   4.025 -15.967
   17    H2*    G   2           H2*        G   2  38.438   1.878 -15.265
   18   2HO*    G   2          2HO*        G   2  35.723   1.748 -14.375
   19    H1*    G   2           H1*        G   2  36.114   0.566 -16.343
   20    H8     G   2           H8         G   2  38.845   1.843 -18.597
   21    H1     G   2           H1         G   2  40.263  -3.798 -15.984
   22   1H2     G   2          1H2         G   2  38.711  -4.350 -14.500
   23   2H2     G   2          2H2         G   2  37.333  -3.328 -14.158
   24   1H5*    G   3          1H5*        G   3  35.442   3.196 -11.944
   25   2H5*    G   3          2H5*        G   3  36.496   3.699 -10.608
   26    H4*    G   3           H4*        G   3  35.559   1.259 -10.640
   27    H3*    G   3           H3*        G   3  38.380   2.169 -10.032
   28    H2*    G   3           H2*        G   3  39.156  -0.004  -9.948
   29   2HO*    G   3          2HO*        G   3  36.521  -1.032  -9.656
   30    H1*    G   3           H1*        G   3  37.377  -1.239 -11.708
   31    H8     G   3           H8         G   3  39.109   1.706 -13.194
   32    H1     G   3           H1         G   3  42.799  -3.491 -13.053
   33   1H2     G   3          1H2         G   3  41.860  -5.045 -11.781
   34   2H2     G   3          2H2         G   3  40.326  -4.800 -10.976
   35   1H5*    C   4          1H5*        C   4  36.596  -0.653  -7.819
   36   2H5*    C   4          2H5*        C   4  36.425  -0.554  -6.055
   37    H4*    C   4           H4*        C   4  36.938  -2.825  -6.457
   38    H3*    C   4           H3*        C   4  39.401  -1.224  -5.678
   39    H2*    C   4           H2*        C   4  40.691  -3.224  -5.802
   40   2HO*    C   4          2HO*        C   4  39.650  -5.276  -6.070
   41    H1*    C   4           H1*        C   4  39.642  -4.165  -8.128
   42   1H4     C   4          1H4         C   4  44.719  -0.659  -9.758
   43   2H4     C   4          2H4         C   4  43.765   0.791  -9.609
   44    H5     C   4           H5         C   4  41.529   0.816  -8.817
   45    H6     C   4           H6         C   4  39.659  -0.518  -7.998
   46   1H5*    U   5          1H5*        U   5  39.370  -4.659  -3.169
   47   2H5*    U   5          2H5*        U   5  40.341  -4.377  -1.711
   48    H4*    U   5           H4*        U   5  41.307  -6.061  -3.351
   49    H3*    U   5           H3*        U   5  42.845  -3.565  -2.520
   50    H2*    U   5           H2*        U   5  44.713  -4.471  -3.708
   51   2HO*    U   5          2HO*        U   5  44.937  -6.574  -3.606
   52    H1*    U   5           H1*        U   5  43.308  -5.247  -5.910
   53    H3     U   5           H3         U   5  45.711  -1.643  -7.234
   54    H5     U   5           H5         U   5  42.604  -0.004  -4.947
   55    H6     U   5           H6         U   5  41.939  -2.250  -4.336
   56   1H5*    G   6          1H5*        G   6  44.936  -7.050  -1.885
   57   2H5*    G   6          2H5*        G   6  46.279  -7.038  -0.725
   58    H4*    G   6           H4*        G   6  46.877  -7.379  -3.208
   59    H3*    G   6           H3*        G   6  48.128  -5.248  -1.429
   60    H2*    G   6           H2*        G   6  49.583  -4.716  -3.236
   61   2HO*    G   6          2HO*        G   6  48.953  -7.318  -4.007
   62    H1*    G   6           H1*        G   6  47.696  -4.877  -5.227
   63    H8     G   6           H8         G   6  45.861  -3.057  -2.643
   64    H1     G   6           H1         G   6  50.744   0.451  -4.734
   65   1H2     G   6          1H2         G   6  52.099  -0.805  -5.975
   66   2H2     G   6          2H2         G   6  51.813  -2.508  -6.253
   67   1H5*    U   7          1H5*        U   7  50.842  -6.775  -2.934
   68   2H5*    U   7          2H5*        U   7  52.023  -7.908  -2.249
   69    H4*    U   7           H4*        U   7  53.562  -6.500  -3.156
   70    H3*    U   7           H3*        U   7  52.655  -5.034  -0.652
   71    H2*    U   7           H2*        U   7  54.069  -3.217  -1.277
   72   2HO*    U   7          2HO*        U   7  55.569  -5.093  -2.319
   73    H1*    U   7           H1*        U   7  53.390  -3.155  -3.902
   74    H3     U   7           H3         U   7  51.233   0.460  -2.311
   75    H5     U   7           H5         U   7  49.168  -2.742  -0.578
   76    H6     U   7           H6         U   7  50.802  -4.255  -1.523
   77   1H5*    U   8          1H5*        U   8  57.209  -4.715  -0.219
   78   2H5*    U   8          2H5*        U   8  57.371  -4.853   1.543
   79    H4*    U   8           H4*        U   8  58.307  -2.716   0.611
   80    H3*    U   8           H3*        U   8  55.957  -2.589   2.554
   81    H2*    U   8           H2*        U   8  56.209  -0.244   2.535
   82   2HO*    U   8          2HO*        U   8  58.375   0.315   1.168
   83    H1*    U   8           H1*        U   8  57.004  -0.033  -0.156
   84    H3     U   8           H3         U   8  53.316   2.550   0.256
   85    H5     U   8           H5         U   8  51.850  -1.398   0.449
   86    H6     U   8           H6         U   8  54.147  -2.166   0.530
   87   1H5*    U   9          1H5*        U   9  59.630  -0.107   3.420
   88   2H5*    U   9          2H5*        U   9  59.702   0.227   5.160
   89    H4*    U   9           H4*        U   9  59.741   2.241   3.519
   90    H3*    U   9           H3*        U   9  57.848   2.028   5.898
   91    H2*    U   9           H2*        U   9  57.192   4.258   5.430
   92   2HO*    U   9          2HO*        U   9  58.948   5.441   5.038
   93    H1*    U   9           H1*        U   9  57.245   4.004   2.653
   94    H3     U   9           H3         U   9  52.975   4.957   4.027
   95    H5     U   9           H5         U   9  53.463   0.813   4.662
   96    H6     U   9           H6         U   9  55.817   1.080   4.165
   97   1H5*    U  10          1H5*        U  10  60.938   5.132   7.671
   98   2H5*    U  10          2H5*        U  10  60.475   5.069   9.383
   99    H4*    U  10           H4*        U  10  60.016   7.250   7.962
  100    H3*    U  10           H3*        U  10  58.075   5.925   9.903
  101    H2*    U  10           H2*        U  10  56.616   7.753   9.508
  102   2HO*    U  10          2HO*        U  10  59.004   9.026   8.763
  103    H1*    U  10           H1*        U  10  57.165   8.021   6.793
  104    H3     U  10           H3         U  10  52.750   7.046   7.567
  105    H5     U  10           H5         U  10  54.744   3.336   7.657
  106    H6     U  10           H6         U  10  56.850   4.542   7.582
  107   1H5*    U  11          1H5*        U  11  58.090  10.275  10.645
  108   2H5*    U  11          2H5*        U  11  58.215  10.413  12.409
  109    H4*    U  11           H4*        U  11  56.288  11.698  11.463
  110    H3*    U  11           H3*        U  11  55.803   9.395  13.387
  111    H2*    U  11           H2*        U  11  53.492   9.848  13.282
  112   2HO*    U  11          2HO*        U  11  52.993  11.973  11.999
  113    H1*    U  11           H1*        U  11  53.353  10.590  10.627
  114    H3     U  11           H3         U  11  50.704   6.938  10.966
  115    H5     U  11           H5         U  11  54.622   5.409  11.194
  116    H6     U  11           H6         U  11  55.438   7.681  11.266
  117   1H5*    C  12          1H5*        C  12  53.903  12.976  15.686
  118   2H5*    C  12          2H5*        C  12  53.880  12.322  17.335
  119    H4*    C  12           H4*        C  12  51.603  12.807  16.209
  120    H3*    C  12           H3*        C  12  52.348  10.149  17.499
  121    H2*    C  12           H2*        C  12  50.134   9.423  17.100
  122   2HO*    C  12          2HO*        C  12  48.662  10.890  17.536
  123    H1*    C  12           H1*        C  12  49.834  10.618  14.608
  124   1H4     C  12          1H4         C  12  51.010   4.410  13.829
  125   2H4     C  12          2H4         C  12  52.710   4.674  14.114
  126    H5     C  12           H5         C  12  53.624   6.812  14.709
  127    H6     C  12           H6         C  12  53.102   9.136  15.192
  128   1H5*    U  13          1H5*        U  13  49.810   8.777  21.156
  129   2H5*    U  13          2H5*        U  13  50.751   8.140  19.792
  130    H4*    U  13           H4*        U  13  47.747   8.502  19.558
  131    H3*    U  13           H3*        U  13  49.276   6.234  20.907
  132    H2*    U  13           H2*        U  13  47.757   4.721  19.949
  133   2HO*    U  13          2HO*        U  13  46.017   6.973  19.816
  134    H1*    U  13           H1*        U  13  47.179   6.256  17.624
  135    H3     U  13           H3         U  13  48.224   1.796  16.870
  136    H5     U  13           H5         U  13  51.863   3.932  16.825
  137    H6     U  13           H6         U  13  50.673   5.857  17.668
  138   1H5*    C  14          1H5*        C  14  45.540   5.513  21.188
  139   2H5*    C  14          2H5*        C  14  44.847   5.366  22.816
  140    H4*    C  14           H4*        C  14  44.061   3.495  21.548
  141    H3*    C  14           H3*        C  14  46.201   2.930  23.601
  142    H2*    C  14           H2*        C  14  46.390   0.675  22.937
  143   2HO*    C  14          2HO*        C  14  44.752  -0.428  22.042
  144    H1*    C  14           H1*        C  14  46.169   0.992  20.236
  145   1H4     C  14          1H4         C  14  52.421   1.026  21.413
  146   2H4     C  14          2H4         C  14  52.326   2.685  21.959
  147    H5     C  14           H5         C  14  50.248   3.892  22.162
  148    H6     C  14           H6         C  14  47.814   3.761  21.879
  149   1H5*    G  15          1H5*        G  15  44.965  -0.042  27.384
  150   2H5*    G  15          2H5*        G  15  46.084   1.115  26.634
  151    H4*    G  15           H4*        G  15  45.406  -1.522  25.310
  152    H3*    G  15           H3*        G  15  46.597  -1.571  27.776
  153    H2*    G  15           H2*        G  15  48.278   0.075  27.226
  154   2HO*    G  15          2HO*        G  15  49.053  -2.406  27.589
  155    H1*    G  15           H1*        G  15  48.776  -1.444  24.655
  156    H8     G  15           H8         G  15  50.755  -0.201  23.641
  157    H1     G  15           H1         G  15  49.086   5.419  26.134
  158   1H2     G  15          1H2         G  15  47.227   5.195  27.319
  159   2H2     G  15          2H2         G  15  46.405   3.662  27.488
  160   1H5*    C  16          1H5*        C  16  44.627  -4.061  22.797
  161   2H5*    C  16          2H5*        C  16  46.013  -4.952  23.458
  162    H4*    C  16           H4*        C  16  46.017  -2.452  21.746
  163    H3*    C  16           H3*        C  16  46.656  -5.284  21.364
  164    H2*    C  16           H2*        C  16  48.951  -5.056  21.651
  165   2HO*    C  16          2HO*        C  16  49.943  -4.395  19.825
  166    H1*    C  16           H1*        C  16  48.861  -2.066  21.293
  167   1H4     C  16          1H4         C  16  54.355  -2.751  24.431
  168   2H4     C  16          2H4         C  16  53.663  -3.968  25.479
  169    H5     C  16           H5         C  16  51.380  -4.761  25.262
  170    H6     C  16           H6         C  16  49.297  -4.529  24.007
  171   1H5*    U  17          1H5*        U  17  46.004  -4.102  16.196
  172   2H5*    U  17          2H5*        U  17  47.511  -4.840  15.621
  173    H4*    U  17           H4*        U  17  46.877  -2.001  16.182
  174    H3*    U  17           H3*        U  17  48.437  -3.571  14.241
  175    H2*    U  17           H2*        U  17  50.504  -2.739  14.849
  176   2HO*    U  17          2HO*        U  17  50.139  -0.104  14.825
  177    H1*    U  17           H1*        U  17  49.411  -0.590  16.605
  178    H3     U  17           H3         U  17  54.061  -0.826  16.917
  179    H5     U  17           H5         U  17  52.466  -3.826  19.402
  180    H6     U  17           H6         U  17  50.289  -3.419  18.380
  181   1H5*    G  18          1H5*        G  18  44.530  -2.257  12.759
  182   2H5*    G  18          2H5*        G  18  44.390  -1.561  11.131
  183    H4*    G  18           H4*        G  18  42.688  -0.619  12.644
  184    H3*    G  18           H3*        G  18  44.766   1.078  11.340
  185    H2*    G  18           H2*        G  18  44.516   2.945  12.752
  186   2HO*    G  18          2HO*        G  18  41.927   1.969  12.894
  187    H1*    G  18           H1*        G  18  44.045   1.759  15.150
  188    H8     G  18           H8         G  18  46.551  -0.554  14.309
  189    H1     G  18           H1         G  18  49.213   5.217  14.253
  190   1H2     G  18          1H2         G  18  47.642   6.786  14.206
  191   2H2     G  18          2H2         G  18  45.934   6.409  14.191
  192   1H5*    A  19          1H5*        A  19  41.793   3.517  11.587
  193   2H5*    A  19          2H5*        A  19  40.660   3.567  10.221
  194    H4*    A  19           H4*        A  19  40.727   5.819  10.645
  195    H3*    A  19           H3*        A  19  43.078   5.164   8.864
  196    H2*    A  19           H2*        A  19  43.943   7.374   9.078
  197   2HO*    A  19          2HO*        A  19  41.323   7.914   9.794
  198    H1*    A  19           H1*        A  19  43.806   7.526  11.731
  199    H8     A  19           H8         A  19  44.117   3.879  10.773
  200   1H6     A  19          1H6         A  19  50.216   4.674  10.766
  201   2H6     A  19          2H6         A  19  48.925   3.496  10.682
  202    H2     A  19           H2         A  19  48.280   8.704  11.134
  203   1H5*    C  20          1H5*        C  20  42.168   8.679   7.671
  204   2H5*    C  20          2H5*        C  20  42.511   9.016   5.964
  205    H4*    C  20           H4*        C  20  44.079  10.120   7.635
  206    H3*    C  20           H3*        C  20  45.155   8.215   5.511
  207    H2*    C  20           H2*        C  20  47.321   8.902   6.197
  208   2HO*    C  20          2HO*        C  20  46.145  11.233   6.529
  209    H1*    C  20           H1*        C  20  46.676   9.125   8.918
  210   1H4     C  20          1H4         C  20  50.269   3.949   7.943
  211   2H4     C  20          2H4         C  20  48.805   2.989   7.992
  212    H5     C  20           H5         C  20  46.591   3.963   8.059
  213    H6     C  20           H6         C  20  45.311   6.057   8.070
  214   1H5*    U  21          1H5*        U  21  46.898  11.755   4.148
  215   2H5*    U  21          2H5*        U  21  47.224  11.689   2.404
  216    H4*    U  21           H4*        U  21  49.230  11.413   4.039
  217    H3*    U  21           H3*        U  21  48.563   9.770   1.605
  218    H2*    U  21           H2*        U  21  49.940   8.036   2.226
  219   2HO*    U  21          2HO*        U  21  52.021   8.450   2.434
  220    H1*    U  21           H1*        U  21  50.568   9.003   4.929
  221    H3     U  21           H3         U  21  50.978   4.434   4.922
  222    H5     U  21           H5         U  21  46.843   5.234   4.959
  223    H6     U  21           H6         U  21  47.363   7.561   4.502
  224   1H5*    U  22          1H5*        U  22  53.161  10.985   1.168
  225   2H5*    U  22          2H5*        U  22  53.396  10.826  -0.584
  226    H4*    U  22           H4*        U  22  54.877   9.363   0.940
  227    H3*    U  22           H3*        U  22  53.216   8.313  -1.377
  228    H2*    U  22           H2*        U  22  54.040   6.150  -0.950
  229   2HO*    U  22          2HO*        U  22  55.983   7.138   0.866
  230    H1*    U  22           H1*        U  22  54.162   6.317   1.825
  231    H3     U  22           H3         U  22  51.245   2.981   0.799
  232    H5     U  22           H5         U  22  49.087   6.537   0.147
  233    H6     U  22           H6         U  22  51.156   7.758   0.474
  234   1H5*    U  23          1H5*        U  23  57.334   7.186  -2.051
  235   2H5*    U  23          2H5*        U  23  57.922   7.866  -3.583
  236    H4*    U  23           H4*        U  23  58.638   5.664  -3.788
  237    H3*    U  23           H3*        U  23  55.848   5.901  -4.958
  238    H2*    U  23           H2*        U  23  55.859   3.592  -5.414
  239   2HO*    U  23          2HO*        U  23  58.593   4.013  -5.535
  240    H1*    U  23           H1*        U  23  57.274   2.743  -3.208
  241    H3     U  23           H3         U  23  53.334   0.710  -2.496
  242    H5     U  23           H5         U  23  52.386   4.804  -2.160
  243    H6     U  23           H6         U  23  54.658   5.323  -2.848
  244   1H5*    C  24          1H5*        C  24  58.273   4.092  -8.505
  245   2H5*    C  24          2H5*        C  24  57.328   4.692  -9.881
  246    H4*    C  24           H4*        C  24  57.454   2.166  -9.687
  247    H3*    C  24           H3*        C  24  54.804   3.659  -9.685
  248    H2*    C  24           H2*        C  24  53.686   1.567  -9.642
  249   2HO*    C  24          2HO*        C  24  56.154   0.640 -10.644
  250    H1*    C  24           H1*        C  24  55.414   0.282  -7.909
  251   1H4     C  24          1H4         C  24  50.417   2.167  -4.446
  252   2H4     C  24          2H4         C  24  50.973   3.823  -4.500
  253    H5     C  24           H5         C  24  52.900   4.531  -5.748
  254    H6     C  24           H6         C  24  54.725   3.804  -7.215
  255   1H5*    A  25          1H5*        A  25  55.336   0.495 -12.228
  256   2H5*    A  25          2H5*        A  25  54.308   0.219 -13.649
  257    H4*    A  25           H4*        A  25  54.247  -1.477 -11.629
  258    H3*    A  25           H3*        A  25  51.945  -0.370 -13.248
  259    H2*    A  25           H2*        A  25  50.379  -1.347 -11.849
  260   2HO*    A  25          2HO*        A  25  52.106  -3.184 -10.636
  261    H1*    A  25           H1*        A  25  51.966  -1.556  -9.494
  262    H8     A  25           H8         A  25  51.557   1.964 -10.509
  263   1H6     A  25          1H6         A  25  46.028   1.888  -7.741
  264   2H6     A  25          2H6         A  25  47.260   2.921  -8.436
  265    H2     A  25           H2         A  25  47.473  -2.334  -8.142
  266   1H5*    G  26          1H5*        G  26  52.724  -5.390 -13.621
  267   2H5*    G  26          2H5*        G  26  51.430  -5.898 -14.723
  268    H4*    G  26           H4*        G  26  51.761  -7.195 -12.478
  269    H3*    G  26           H3*        G  26  49.139  -6.219 -13.654
  270    H2*    G  26           H2*        G  26  47.978  -7.144 -11.784
  271   2HO*    G  26          2HO*        G  26  49.601  -8.268 -10.182
  272    H1*    G  26           H1*        G  26  49.634  -6.254  -9.860
  273    H8     G  26           H8         G  26  49.842  -3.435 -12.058
  274    H1     G  26           H1         G  26  43.979  -3.758  -9.648
  275   1H2     G  26          1H2         G  26  43.618  -5.749  -8.756
  276   2H2     G  26          2H2         G  26  44.830  -7.013  -8.750
  277   1H5*    C  27          1H5*        C  27  48.671  -9.867 -12.520
  278   2H5*    C  27          2H5*        C  27  48.024 -11.141 -13.572
  279    H4*    C  27           H4*        C  27  46.634 -11.142 -11.637
  280    H3*    C  27           H3*        C  27  45.394  -9.696 -14.007
  281    H2*    C  27           H2*        C  27  43.427  -9.338 -12.669
  282   2HO*    C  27          2HO*        C  27  44.367 -10.490 -10.348
  283    H1*    C  27           H1*        C  27  44.699  -8.389 -10.531
  284   1H4     C  27          1H4         C  27  44.108  -3.228 -14.184
  285   2H4     C  27          2H4         C  27  45.584  -3.650 -15.020
  286    H5     C  27           H5         C  27  46.765  -5.706 -14.647
  287    H6     C  27           H6         C  27  46.806  -7.807 -13.421
  288   1H5*    C  28          1H5*        C  28  42.707 -11.637 -12.428
  289   2H5*    C  28          2H5*        C  28  41.545 -12.601 -13.359
  290    H4*    C  28           H4*        C  28  40.315 -10.892 -12.169
  291    H3*    C  28           H3*        C  28  40.650 -10.323 -15.148
  292    H2*    C  28           H2*        C  28  39.152  -8.488 -14.823
  293   2HO*    C  28          2HO*        C  28  38.708  -9.062 -12.107
  294    H1*    C  28           H1*        C  28  40.276  -7.623 -12.466
  295   1H4     C  28          1H4         C  28  42.858  -4.163 -17.141
  296   2H4     C  28          2H4         C  28  44.112  -5.370 -17.329
  297    H5     C  28           H5         C  28  44.103  -7.482 -16.133
  298    H6     C  28           H6         C  28  42.889  -8.873 -14.571
  299   1H5*    C  29          1H5*        C  29  36.835 -10.405 -13.877
  300   2H5*    C  29          2H5*        C  29  35.881 -11.851 -14.262
  301    H4*    C  29           H4*        C  29  34.222 -10.233 -14.304
  302    H3*    C  29           H3*        C  29  35.406 -10.557 -17.068
  303    H2*    C  29           H2*        C  29  34.128  -8.752 -17.896
  304   2HO*    C  29          2HO*        C  29  32.499  -9.418 -15.742
  305    H1*    C  29           H1*        C  29  34.383  -7.046 -15.809
  306   1H4     C  29          1H4         C  29  39.120  -5.392 -19.697
  307   2H4     C  29          2H4         C  29  39.914  -6.930 -19.465
  308    H5     C  29           H5         C  29  39.000  -8.692 -18.130
  309    H6     C  29           H6         C  29  37.146  -9.373 -16.687
  310   1H5*    C  30          1H5*        C  30  31.252  -9.405 -17.411
  311   2H5*    C  30          2H5*        C  30  30.724  -9.883 -19.036
  312    H4*    C  30           H4*        C  30  30.977  -7.348 -18.520
  313    H3*    C  30           H3*        C  30  32.239  -8.721 -20.914
  314    H2*    C  30           H2*        C  30  32.886  -6.603 -21.679
  315   2HO*    C  30          2HO*        C  30  31.879  -4.722 -21.072
  316    H1*    C  30           H1*        C  30  33.352  -5.509 -19.125
  317   1H4     C  30          1H4         C  30  39.036  -6.418 -21.818
  318   2H4     C  30          2H4         C  30  38.854  -8.153 -21.689
  319    H5     C  30           H5         C  30  36.852  -9.209 -20.854
  320    H6     C  30           H6         C  30  34.606  -8.842 -19.982
  321    H3T    C  30           H3T        C  30  29.780  -8.324 -20.273
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  41.283   3.443 -23.857
    2   2H5*    G   1          2H5*        G   1  41.202   4.412 -22.371
    3    H4*    G   1           H4*        G   1  38.950   3.853 -23.242
    4    H3*    G   1           H3*        G   1  39.913   2.967 -20.535
    5    H2*    G   1           H2*        G   1  38.025   1.567 -20.154
    6   2HO*    G   1          2HO*        G   1  36.798   3.449 -21.606
    7    H1*    G   1           H1*        G   1  37.745   0.483 -22.614
    8    H8     G   1           H8         G   1  41.408   1.054 -21.693
    9    H1     G   1           H1         G   1  39.049  -4.460 -19.534
   10   1H2     G   1          1H2         G   1  36.854  -4.519 -19.835
   11   2H2     G   1          2H2         G   1  35.971  -3.202 -20.573
   12    H5T    G   1           H5T        G   1  42.629   2.369 -22.618
   13   1H5*    G   2          1H5*        G   2  36.814   3.561 -19.625
   14   2H5*    G   2          2H5*        G   2  36.104   4.798 -18.566
   15    H4*    G   2           H4*        G   2  35.586   2.966 -17.293
   16    H3*    G   2           H3*        G   2  38.403   3.781 -16.602
   17    H2*    G   2           H2*        G   2  38.858   1.762 -15.585
   18   2HO*    G   2          2HO*        G   2  36.213   1.203 -14.846
   19    H1*    G   2           H1*        G   2  36.542   0.292 -16.561
   20    H8     G   2           H8         G   2  39.584   1.156 -18.634
   21    H1     G   2           H1         G   2  40.114  -4.403 -15.560
   22   1H2     G   2          1H2         G   2  38.360  -4.687 -14.225
   23   2H2     G   2          2H2         G   2  37.074  -3.508 -14.100
   24   1H5*    G   3          1H5*        G   3  35.348   3.705 -12.796
   25   2H5*    G   3          2H5*        G   3  36.250   4.280 -11.381
   26    H4*    G   3           H4*        G   3  35.147   1.947 -11.230
   27    H3*    G   3           H3*        G   3  38.018   2.614 -10.524
   28    H2*    G   3           H2*        G   3  38.489   0.372 -10.093
   29   2HO*    G   3          2HO*        G   3  36.047  -0.797 -10.174
   30    H1*    G   3           H1*        G   3  36.830  -0.820 -11.958
   31    H8     G   3           H8         G   3  38.949   1.923 -13.407
   32    H1     G   3           H1         G   3  42.092  -3.582 -12.769
   33   1H2     G   3          1H2         G   3  40.898  -5.000 -11.554
   34   2H2     G   3          2H2         G   3  39.326  -4.587 -10.907
   35   1H5*    C   4          1H5*        C   4  35.993   0.104  -8.155
   36   2H5*    C   4          2H5*        C   4  35.709   0.521  -6.453
   37    H4*    C   4           H4*        C   4  36.145  -1.798  -6.402
   38    H3*    C   4           H3*        C   4  38.587  -0.137  -5.723
   39    H2*    C   4           H2*        C   4  39.894  -2.106  -5.504
   40   2HO*    C   4          2HO*        C   4  39.039  -3.960  -4.889
   41    H1*    C   4           H1*        C   4  38.962  -3.437  -7.678
   42   1H4     C   4          1H4         C   4  44.043  -0.224  -9.767
   43   2H4     C   4          2H4         C   4  43.115   1.248  -9.799
   44    H5     C   4           H5         C   4  40.881   1.410  -9.021
   45    H6     C   4           H6         C   4  38.989   0.219  -8.040
   46   1H5*    U   5          1H5*        U   5  38.450  -3.319  -2.597
   47   2H5*    U   5          2H5*        U   5  39.540  -2.747  -1.318
   48    H4*    U   5           H4*        U   5  40.274  -4.776  -2.794
   49    H3*    U   5           H3*        U   5  41.976  -2.356  -2.089
   50    H2*    U   5           H2*        U   5  43.788  -3.392  -3.236
   51   2HO*    U   5          2HO*        U   5  42.179  -5.731  -3.051
   52    H1*    U   5           H1*        U   5  42.354  -4.309  -5.375
   53    H3     U   5           H3         U   5  44.918  -1.006  -7.084
   54    H5     U   5           H5         U   5  41.944   1.032  -4.942
   55    H6     U   5           H6         U   5  41.176  -1.099  -4.088
   56   1H5*    G   6          1H5*        G   6  43.884  -5.932  -1.211
   57   2H5*    G   6          2H5*        G   6  45.227  -5.892  -0.051
   58    H4*    G   6           H4*        G   6  45.805  -6.395  -2.516
   59    H3*    G   6           H3*        G   6  47.147  -4.212  -0.868
   60    H2*    G   6           H2*        G   6  48.624  -3.877  -2.707
   61   2HO*    G   6          2HO*        G   6  48.675  -5.377  -4.463
   62    H1*    G   6           H1*        G   6  46.722  -4.109  -4.681
   63    H8     G   6           H8         G   6  44.989  -1.973  -2.290
   64    H1     G   6           H1         G   6  50.050   1.085  -4.642
   65   1H2     G   6          1H2         G   6  51.353  -0.347  -5.734
   66   2H2     G   6          2H2         G   6  50.990  -2.053  -5.852
   67   1H5*    U   7          1H5*        U   7  49.796  -5.950  -2.295
   68   2H5*    U   7          2H5*        U   7  50.947  -7.067  -1.535
   69    H4*    U   7           H4*        U   7  52.514  -5.768  -2.559
   70    H3*    U   7           H3*        U   7  51.698  -4.175  -0.107
   71    H2*    U   7           H2*        U   7  53.026  -2.371  -0.835
   72   2HO*    U   7          2HO*        U   7  54.183  -3.421  -3.068
   73    H1*    U   7           H1*        U   7  52.460  -2.489  -3.495
   74    H3     U   7           H3         U   7  50.429   1.315  -2.238
   75    H5     U   7           H5         U   7  48.269  -1.640  -0.202
   76    H6     U   7           H6         U   7  49.835  -3.291  -1.031
   77   1H5*    U   8          1H5*        U   8  56.524  -4.348  -0.206
   78   2H5*    U   8          2H5*        U   8  56.827  -4.390   1.541
   79    H4*    U   8           H4*        U   8  58.133  -2.612   0.363
   80    H3*    U   8           H3*        U   8  56.071  -1.834   2.464
   81    H2*    U   8           H2*        U   8  56.752   0.432   2.198
   82   2HO*    U   8          2HO*        U   8  58.857  -0.401   0.467
   83    H1*    U   8           H1*        U   8  56.884   0.417  -0.531
   84    H3     U   8           H3         U   8  53.224   2.876   0.506
   85    H5     U   8           H5         U   8  52.006  -1.124   1.074
   86    H6     U   8           H6         U   8  54.308  -1.801   0.726
   87   1H5*    U   9          1H5*        U   9  59.562   0.635   2.896
   88   2H5*    U   9          2H5*        U   9  59.747   0.990   4.623
   89    H4*    U   9           H4*        U   9  59.347   2.974   2.993
   90    H3*    U   9           H3*        U   9  57.720   2.531   5.534
   91    H2*    U   9           H2*        U   9  56.728   4.639   5.119
   92   2HO*    U   9          2HO*        U   9  57.875   5.774   3.114
   93    H1*    U   9           H1*        U   9  56.706   4.405   2.317
   94    H3     U   9           H3         U   9  52.486   5.084   4.062
   95    H5     U   9           H5         U   9  53.203   0.931   4.252
   96    H6     U   9           H6         U   9  55.505   1.365   3.669
   97   1H5*    U  10          1H5*        U  10  60.562   6.003   7.019
   98   2H5*    U  10          2H5*        U  10  60.300   5.899   8.772
   99    H4*    U  10           H4*        U  10  59.446   8.009   7.470
  100    H3*    U  10           H3*        U  10  57.798   6.417   9.481
  101    H2*    U  10           H2*        U  10  56.132   8.084   9.240
  102   2HO*    U  10          2HO*        U  10  56.918  10.006   7.793
  103    H1*    U  10           H1*        U  10  56.528   8.525   6.507
  104    H3     U  10           H3         U  10  52.227   7.193   7.300
  105    H5     U  10           H5         U  10  54.498   3.643   7.359
  106    H6     U  10           H6         U  10  56.503   5.004   7.263
  107   1H5*    U  11          1H5*        U  11  57.532  10.826  10.537
  108   2H5*    U  11          2H5*        U  11  57.655  10.779  12.307
  109    H4*    U  11           H4*        U  11  55.623  11.998  11.399
  110    H3*    U  11           H3*        U  11  55.384   9.625  13.289
  111    H2*    U  11           H2*        U  11  53.039   9.960  13.309
  112   2HO*    U  11          2HO*        U  11  52.089  11.883  12.801
  113    H1*    U  11           H1*        U  11  52.742  10.641  10.662
  114    H3     U  11           H3         U  11  50.473   6.752  11.239
  115    H5     U  11           H5         U  11  54.526   5.614  11.096
  116    H6     U  11           H6         U  11  55.118   7.956  11.100
  117   1H5*    C  12          1H5*        C  12  53.405  13.018  15.760
  118   2H5*    C  12          2H5*        C  12  53.506  12.344  17.398
  119    H4*    C  12           H4*        C  12  51.150  12.681  16.373
  120    H3*    C  12           H3*        C  12  52.153  10.103  17.643
  121    H2*    C  12           H2*        C  12  50.004   9.178  17.326
  122   2HO*    C  12          2HO*        C  12  48.461  11.054  16.346
  123    H1*    C  12           H1*        C  12  49.490  10.323  14.849
  124   1H4     C  12          1H4         C  12  51.226   4.252  14.040
  125   2H4     C  12          2H4         C  12  52.903   4.696  14.198
  126    H5     C  12           H5         C  12  53.628   6.922  14.717
  127    H6     C  12           H6         C  12  52.905   9.177  15.235
  128   1H5*    U  13          1H5*        U  13  50.592   8.210  21.052
  129   2H5*    U  13          2H5*        U  13  51.049   8.245  19.337
  130    H4*    U  13           H4*        U  13  48.135   8.187  19.676
  131    H3*    U  13           H3*        U  13  49.837   6.077  21.064
  132    H2*    U  13           H2*        U  13  48.437   4.401  20.215
  133   2HO*    U  13          2HO*        U  13  46.268   4.856  19.589
  134    H1*    U  13           H1*        U  13  47.599   5.774  17.866
  135    H3     U  13           H3         U  13  48.969   1.436  17.060
  136    H5     U  13           H5         U  13  52.443   3.829  16.941
  137    H6     U  13           H6         U  13  51.142   5.655  17.823
  138   1H5*    C  14          1H5*        C  14  46.076   5.022  21.392
  139   2H5*    C  14          2H5*        C  14  45.537   4.639  23.039
  140    H4*    C  14           H4*        C  14  45.045   2.779  21.526
  141    H3*    C  14           H3*        C  14  47.130   2.410  23.695
  142    H2*    C  14           H2*        C  14  47.581   0.218  22.961
  143   2HO*    C  14          2HO*        C  14  46.139  -0.965  21.723
  144    H1*    C  14           H1*        C  14  47.363   0.632  20.247
  145   1H4     C  14          1H4         C  14  53.588   0.859  21.538
  146   2H4     C  14          2H4         C  14  53.412   2.477  22.180
  147    H5     C  14           H5         C  14  51.284   3.583  22.408
  148    H6     C  14           H6         C  14  48.865   3.366  22.081
  149   1H5*    G  15          1H5*        G  15  45.807  -0.666  27.448
  150   2H5*    G  15          2H5*        G  15  46.933   0.509  26.736
  151    H4*    G  15           H4*        G  15  46.387  -2.180  25.447
  152    H3*    G  15           H3*        G  15  47.480  -2.122  27.949
  153    H2*    G  15           H2*        G  15  49.089  -0.391  27.405
  154   2HO*    G  15          2HO*        G  15  50.705  -1.562  28.116
  155    H1*    G  15           H1*        G  15  49.771  -2.002  24.932
  156    H8     G  15           H8         G  15  51.719  -0.734  23.892
  157    H1     G  15           H1         G  15  49.874   4.926  26.153
  158   1H2     G  15          1H2         G  15  48.003   4.700  27.321
  159   2H2     G  15          2H2         G  15  47.216   3.155  27.539
  160   1H5*    C  16          1H5*        C  16  45.677  -4.638  22.995
  161   2H5*    C  16          2H5*        C  16  47.089  -5.514  23.619
  162    H4*    C  16           H4*        C  16  47.015  -2.979  21.966
  163    H3*    C  16           H3*        C  16  47.766  -5.784  21.541
  164    H2*    C  16           H2*        C  16  50.055  -5.463  21.726
  165   2HO*    C  16          2HO*        C  16  50.237  -5.238  19.575
  166    H1*    C  16           H1*        C  16  49.858  -2.472  21.533
  167   1H4     C  16          1H4         C  16  55.388  -3.218  24.603
  168   2H4     C  16          2H4         C  16  54.675  -4.385  25.692
  169    H5     C  16           H5         C  16  52.380  -5.138  25.512
  170    H6     C  16           H6         C  16  50.296  -4.911  24.258
  171   1H5*    U  17          1H5*        U  17  46.929  -4.542  16.423
  172   2H5*    U  17          2H5*        U  17  48.438  -5.221  15.786
  173    H4*    U  17           H4*        U  17  47.731  -2.415  16.415
  174    H3*    U  17           H3*        U  17  49.328  -3.908  14.430
  175    H2*    U  17           H2*        U  17  51.361  -2.991  15.013
  176   2HO*    U  17          2HO*        U  17  50.947  -0.385  15.037
  177    H1*    U  17           H1*        U  17  50.196  -0.920  16.814
  178    H3     U  17           H3         U  17  54.849  -0.897  17.020
  179    H5     U  17           H5         U  17  53.495  -4.016  19.497
  180    H6     U  17           H6         U  17  51.270  -3.726  18.533
  181   1H5*    G  18          1H5*        G  18  45.059  -2.951  13.462
  182   2H5*    G  18          2H5*        G  18  44.685  -2.166  11.913
  183    H4*    G  18           H4*        G  18  43.157  -1.446  13.743
  184    H3*    G  18           H3*        G  18  44.841   0.424  12.146
  185    H2*    G  18           H2*        G  18  44.702   2.251  13.619
  186   2HO*    G  18          2HO*        G  18  42.763   2.682  14.333
  187    H1*    G  18           H1*        G  18  44.691   1.011  16.044
  188    H8     G  18           H8         G  18  47.223  -1.069  14.771
  189    H1     G  18           H1         G  18  49.384   4.906  14.608
  190   1H2     G  18          1H2         G  18  47.691   6.339  14.815
  191   2H2     G  18          2H2         G  18  46.032   5.813  14.995
  192   1H5*    A  19          1H5*        A  19  41.545   2.716  12.574
  193   2H5*    A  19          2H5*        A  19  40.477   2.726  11.156
  194    H4*    A  19           H4*        A  19  40.619   4.999  11.601
  195    H3*    A  19           H3*        A  19  42.810   4.209   9.666
  196    H2*    A  19           H2*        A  19  43.648   6.445   9.678
  197   2HO*    A  19          2HO*        A  19  42.362   8.084  10.096
  198    H1*    A  19           H1*        A  19  43.723   6.730  12.332
  199    H8     A  19           H8         A  19  44.077   3.062  11.457
  200   1H6     A  19          1H6         A  19  50.137   4.021  11.032
  201   2H6     A  19          2H6         A  19  48.876   2.808  11.062
  202    H2     A  19           H2         A  19  48.114   8.009  11.421
  203   1H5*    C  20          1H5*        C  20  41.597   7.827   8.275
  204   2H5*    C  20          2H5*        C  20  42.003   8.000   6.557
  205    H4*    C  20           H4*        C  20  43.416   9.291   8.347
  206    H3*    C  20           H3*        C  20  44.576   7.637   6.065
  207    H2*    C  20           H2*        C  20  46.695   8.509   6.697
  208   2HO*    C  20          2HO*        C  20  45.138  10.473   8.051
  209    H1*    C  20           H1*        C  20  46.194   8.447   9.449
  210   1H4     C  20          1H4         C  20  50.101   3.671   7.859
  211   2H4     C  20          2H4         C  20  48.724   2.591   7.937
  212    H5     C  20           H5         C  20  46.450   3.373   8.212
  213    H6     C  20           H6         C  20  45.019   5.350   8.450
  214   1H5*    U  21          1H5*        U  21  46.042  11.396   4.653
  215   2H5*    U  21          2H5*        U  21  46.224  11.222   2.896
  216    H4*    U  21           H4*        U  21  48.374  11.232   4.365
  217    H3*    U  21           H3*        U  21  47.686   9.262   2.166
  218    H2*    U  21           H2*        U  21  49.521   7.956   2.680
  219   2HO*    U  21          2HO*        U  21  50.761  10.341   3.648
  220    H1*    U  21           H1*        U  21  49.967   8.907   5.361
  221    H3     U  21           H3         U  21  50.678   4.395   5.099
  222    H5     U  21           H5         U  21  46.499   4.887   5.224
  223    H6     U  21           H6         U  21  46.849   7.274   4.921
  224   1H5*    U  22          1H5*        U  22  51.929  11.241   1.010
  225   2H5*    U  22          2H5*        U  22  51.940  10.966  -0.742
  226    H4*    U  22           H4*        U  22  53.921  10.019   0.592
  227    H3*    U  22           H3*        U  22  52.207   8.405  -1.327
  228    H2*    U  22           H2*        U  22  53.588   6.513  -0.918
  229   2HO*    U  22          2HO*        U  22  55.655   6.923  -0.754
  230    H1*    U  22           H1*        U  22  53.850   6.829   1.783
  231    H3     U  22           H3         U  22  51.183   3.193   1.114
  232    H5     U  22           H5         U  22  48.631   6.507   0.696
  233    H6     U  22           H6         U  22  50.593   7.922   0.778
  234   1H5*    U  23          1H5*        U  23  56.515   7.838  -2.425
  235   2H5*    U  23          2H5*        U  23  56.619   8.397  -4.106
  236    H4*    U  23           H4*        U  23  57.844   6.355  -4.034
  237    H3*    U  23           H3*        U  23  55.075   6.138  -5.233
  238    H2*    U  23           H2*        U  23  55.300   3.801  -5.478
  239   2HO*    U  23          2HO*        U  23  57.172   3.139  -6.188
  240    H1*    U  23           H1*        U  23  56.603   3.230  -3.170
  241    H3     U  23           H3         U  23  52.571   1.402  -2.391
  242    H5     U  23           H5         U  23  51.821   5.542  -2.228
  243    H6     U  23           H6         U  23  54.105   5.917  -2.965
  244   1H5*    C  24          1H5*        C  24  57.543   4.369  -8.737
  245   2H5*    C  24          2H5*        C  24  56.477   4.763 -10.100
  246    H4*    C  24           H4*        C  24  56.825   2.270  -9.601
  247    H3*    C  24           H3*        C  24  54.106   3.609  -9.817
  248    H2*    C  24           H2*        C  24  53.070   1.510  -9.457
  249   2HO*    C  24          2HO*        C  24  55.645   0.333  -9.880
  250    H1*    C  24           H1*        C  24  54.817   0.548  -7.558
  251   1H4     C  24          1H4         C  24  49.709   2.829  -4.505
  252   2H4     C  24          2H4         C  24  50.297   4.464  -4.706
  253    H5     C  24           H5         C  24  52.281   5.010  -5.956
  254    H6     C  24           H6         C  24  54.134   4.101  -7.284
  255   1H5*    A  25          1H5*        A  25  54.754   0.160 -11.739
  256   2H5*    A  25          2H5*        A  25  53.920  -0.360 -13.216
  257    H4*    A  25           H4*        A  25  53.633  -1.828 -11.106
  258    H3*    A  25           H3*        A  25  51.424  -0.787 -12.882
  259    H2*    A  25           H2*        A  25  49.773  -1.614 -11.478
  260   2HO*    A  25          2HO*        A  25  50.726  -3.322  -9.818
  261    H1*    A  25           H1*        A  25  51.213  -1.599  -9.041
  262    H8     A  25           H8         A  25  51.082   1.805 -10.450
  263   1H6     A  25          1H6         A  25  45.446   2.359  -7.986
  264   2H6     A  25          2H6         A  25  46.774   3.233  -8.721
  265    H2     A  25           H2         A  25  46.621  -1.963  -7.879
  266   1H5*    G  26          1H5*        G  26  52.086  -5.596 -12.343
  267   2H5*    G  26          2H5*        G  26  51.221  -6.358 -13.692
  268    H4*    G  26           H4*        G  26  50.875  -7.544 -11.523
  269    H3*    G  26           H3*        G  26  48.533  -6.283 -12.986
  270    H2*    G  26           H2*        G  26  47.073  -7.119 -11.295
  271   2HO*    G  26          2HO*        G  26  48.610  -8.404  -9.583
  272    H1*    G  26           H1*        G  26  48.567  -6.440  -9.166
  273    H8     G  26           H8         G  26  49.191  -3.703 -11.468
  274    H1     G  26           H1         G  26  43.300  -3.292  -9.155
  275   1H2     G  26          1H2         G  26  42.736  -5.191  -8.154
  276   2H2     G  26          2H2         G  26  43.817  -6.564  -8.058
  277   1H5*    C  27          1H5*        C  27  47.717 -10.033 -11.746
  278   2H5*    C  27          2H5*        C  27  46.998 -11.173 -12.901
  279    H4*    C  27           H4*        C  27  45.682 -11.147 -10.844
  280    H3*    C  27           H3*        C  27  44.455  -9.967 -13.351
  281    H2*    C  27           H2*        C  27  42.458  -9.449 -12.127
  282   2HO*    C  27          2HO*        C  27  43.503 -11.363 -10.382
  283    H1*    C  27           H1*        C  27  43.633  -8.337 -10.007
  284   1H4     C  27          1H4         C  27  43.313  -3.408 -13.989
  285   2H4     C  27          2H4         C  27  44.836  -3.888 -14.699
  286    H5     C  27           H5         C  27  45.961  -5.940 -14.141
  287    H6     C  27           H6         C  27  45.888  -7.967 -12.806
  288   1H5*    C  28          1H5*        C  28  41.875 -11.826 -11.802
  289   2H5*    C  28          2H5*        C  28  40.734 -12.964 -12.548
  290    H4*    C  28           H4*        C  28  39.383 -11.152 -11.846
  291    H3*    C  28           H3*        C  28  40.121 -10.893 -14.792
  292    H2*    C  28           H2*        C  28  38.688  -8.993 -14.880
  293   2HO*    C  28          2HO*        C  28  37.706  -8.845 -12.386
  294    H1*    C  28           H1*        C  28  39.441  -7.926 -12.450
  295   1H4     C  28          1H4         C  28  42.804  -4.851 -16.889
  296   2H4     C  28          2H4         C  28  43.978  -6.149 -16.914
  297    H5     C  28           H5         C  28  43.704  -8.197 -15.661
  298    H6     C  28           H6         C  28  42.260  -9.439 -14.168
  299   1H5*    C  29          1H5*        C  29  35.599 -10.880 -15.016
  300   2H5*    C  29          2H5*        C  29  35.321 -12.321 -16.015
  301    H4*    C  29           H4*        C  29  34.036 -10.581 -17.025
  302    H3*    C  29           H3*        C  29  36.677 -11.102 -18.439
  303    H2*    C  29           H2*        C  29  36.104  -9.453 -20.033
  304   2HO*    C  29          2HO*        C  29  33.458  -9.696 -18.990
  305    H1*    C  29           H1*        C  29  34.902  -7.669 -18.318
  306   1H4     C  29          1H4         C  29  40.691  -5.246 -19.166
  307   2H4     C  29          2H4         C  29  41.453  -6.682 -18.519
  308    H5     C  29           H5         C  29  40.220  -8.616 -17.810
  309    H6     C  29           H6         C  29  37.991  -9.599 -17.535
  310   1H5*    C  30          1H5*        C  30  33.328 -10.472 -21.177
  311   2H5*    C  30          2H5*        C  30  33.789 -11.030 -22.798
  312    H4*    C  30           H4*        C  30  33.477  -8.478 -22.418
  313    H3*    C  30           H3*        C  30  35.960  -9.691 -23.672
  314    H2*    C  30           H2*        C  30  36.687  -7.514 -24.122
  315   2HO*    C  30          2HO*        C  30  35.330  -5.992 -24.702
  316    H1*    C  30           H1*        C  30  35.550  -6.351 -21.814
  317   1H4     C  30          1H4         C  30  41.845  -6.374 -20.963
  318   2H4     C  30          2H4         C  30  41.861  -8.119 -20.850
  319    H5     C  30           H5         C  30  39.885  -9.479 -21.158
  320    H6     C  30           H6         C  30  37.495  -9.456 -21.643
  321    H3T    C  30           H3T        C  30  33.439  -8.702 -24.540
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  38.344   1.120 -25.057
    2   2H5*    G   1          2H5*        G   1  38.779   2.832 -24.878
    3    H4*    G   1           H4*        G   1  36.791   2.887 -23.743
    4    H3*    G   1           H3*        G   1  38.981   2.144 -21.830
    5    H2*    G   1           H2*        G   1  37.465   1.466 -20.111
    6   2HO*    G   1          2HO*        G   1  35.566   2.941 -21.644
    7    H1*    G   1           H1*        G   1  35.642   0.152 -21.597
    8    H8     G   1           H8         G   1  39.349  -0.028 -22.691
    9    H1     G   1           H1         G   1  37.382  -4.965 -19.182
   10   1H2     G   1          1H2         G   1  35.310  -4.613 -18.464
   11   2H2     G   1          2H2         G   1  34.414  -3.161 -18.850
   12    H5T    G   1           H5T        G   1  40.501   1.474 -24.310
   13   1H5*    G   2          1H5*        G   2  36.230   3.759 -19.843
   14   2H5*    G   2          2H5*        G   2  36.568   4.815 -18.458
   15    H4*    G   2           H4*        G   2  35.522   2.699 -17.728
   16    H3*    G   2           H3*        G   2  38.352   3.379 -16.936
   17    H2*    G   2           H2*        G   2  38.727   1.269 -16.083
   18   2HO*    G   2          2HO*        G   2  36.154   0.472 -15.527
   19    H1*    G   2           H1*        G   2  36.528  -0.119 -17.318
   20    H8     G   2           H8         G   2  39.475   1.104 -19.331
   21    H1     G   2           H1         G   2  40.623  -4.445 -16.406
   22   1H2     G   2          1H2         G   2  38.926  -4.955 -15.069
   23   2H2     G   2          2H2         G   2  37.519  -3.929 -14.903
   24   1H5*    G   3          1H5*        G   3  35.355   2.776 -13.384
   25   2H5*    G   3          2H5*        G   3  35.979   3.519 -11.898
   26    H4*    G   3           H4*        G   3  35.316   1.086 -11.669
   27    H3*    G   3           H3*        G   3  38.095   2.122 -11.043
   28    H2*    G   3           H2*        G   3  38.850  -0.023 -10.584
   29   2HO*    G   3          2HO*        G   3  36.254  -1.127 -10.458
   30    H1*    G   3           H1*        G   3  37.256  -1.473 -12.333
   31    H8     G   3           H8         G   3  39.064   1.379 -13.948
   32    H1     G   3           H1         G   3  42.784  -3.713 -13.024
   33   1H2     G   3          1H2         G   3  41.746  -5.180 -11.728
   34   2H2     G   3          2H2         G   3  40.139  -4.901 -11.095
   35   1H5*    C   4          1H5*        C   4  36.241  -0.442  -8.564
   36   2H5*    C   4          2H5*        C   4  35.995  -0.106  -6.839
   37    H4*    C   4           H4*        C   4  36.558  -2.414  -6.950
   38    H3*    C   4           H3*        C   4  38.872  -0.632  -6.135
   39    H2*    C   4           H2*        C   4  40.292  -2.534  -5.982
   40   2HO*    C   4          2HO*        C   4  39.024  -4.673  -6.491
   41    H1*    C   4           H1*        C   4  39.499  -3.780  -8.258
   42   1H4     C   4          1H4         C   4  44.381  -0.100 -10.042
   43   2H4     C   4          2H4         C   4  43.320   1.281 -10.106
   44    H5     C   4           H5         C   4  41.048   1.225  -9.418
   45    H6     C   4           H6         C   4  39.244  -0.146  -8.518
   46   1H5*    U   5          1H5*        U   5  38.842  -3.762  -3.069
   47   2H5*    U   5          2H5*        U   5  39.838  -3.162  -1.728
   48    H4*    U   5           H4*        U   5  40.809  -5.057  -3.204
   49    H3*    U   5           H3*        U   5  42.281  -2.468  -2.556
   50    H2*    U   5           H2*        U   5  44.191  -3.448  -3.615
   51   2HO*    U   5          2HO*        U   5  44.146  -5.665  -4.276
   52    H1*    U   5           H1*        U   5  42.841  -4.434  -5.771
   53    H3     U   5           H3         U   5  45.291  -0.934  -7.293
   54    H5     U   5           H5         U   5  42.028   0.857  -5.364
   55    H6     U   5           H6         U   5  41.368  -1.331  -4.564
   56   1H5*    G   6          1H5*        G   6  44.144  -5.656  -2.058
   57   2H5*    G   6          2H5*        G   6  45.366  -6.067  -0.839
   58    H4*    G   6           H4*        G   6  46.269  -6.223  -3.144
   59    H3*    G   6           H3*        G   6  47.371  -4.098  -1.267
   60    H2*    G   6           H2*        G   6  48.954  -3.535  -2.938
   61   2HO*    G   6          2HO*        G   6  48.232  -5.672  -4.625
   62    H1*    G   6           H1*        G   6  47.275  -3.826  -5.118
   63    H8     G   6           H8         G   6  45.284  -1.879  -2.715
   64    H1     G   6           H1         G   6  50.176   1.581  -4.856
   65   1H2     G   6          1H2         G   6  51.582   0.286  -5.993
   66   2H2     G   6          2H2         G   6  51.331  -1.433  -6.186
   67   1H5*    U   7          1H5*        U   7  50.181  -5.684  -2.542
   68   2H5*    U   7          2H5*        U   7  51.330  -6.784  -1.755
   69    H4*    U   7           H4*        U   7  52.906  -5.352  -2.546
   70    H3*    U   7           H3*        U   7  51.747  -3.867  -0.159
   71    H2*    U   7           H2*        U   7  53.138  -2.033  -0.686
   72   2HO*    U   7          2HO*        U   7  54.553  -2.986  -2.796
   73    H1*    U   7           H1*        U   7  52.863  -2.138  -3.413
   74    H3     U   7           H3         U   7  50.692   1.673  -2.401
   75    H5     U   7           H5         U   7  48.409  -1.265  -0.499
   76    H6     U   7           H6         U   7  50.038  -2.921  -1.179
   77   1H5*    U   8          1H5*        U   8  56.581  -4.128   0.233
   78   2H5*    U   8          2H5*        U   8  56.724  -4.116   2.001
   79    H4*    U   8           H4*        U   8  58.185  -2.425   0.844
   80    H3*    U   8           H3*        U   8  56.041  -1.540   2.816
   81    H2*    U   8           H2*        U   8  56.865   0.689   2.576
   82   2HO*    U   8          2HO*        U   8  58.799   0.881   1.042
   83    H1*    U   8           H1*        U   8  57.067   0.654  -0.131
   84    H3     U   8           H3         U   8  53.439   3.185   0.910
   85    H5     U   8           H5         U   8  52.086  -0.793   1.200
   86    H6     U   8           H6         U   8  54.387  -1.521   0.927
   87   1H5*    U   9          1H5*        U   9  59.576   0.895   3.187
   88   2H5*    U   9          2H5*        U   9  59.759   1.252   4.915
   89    H4*    U   9           H4*        U   9  59.406   3.242   3.285
   90    H3*    U   9           H3*        U   9  57.791   2.793   5.825
   91    H2*    U   9           H2*        U   9  56.743   4.873   5.434
   92   2HO*    U   9          2HO*        U   9  59.039   5.355   3.840
   93    H1*    U   9           H1*        U   9  56.665   4.673   2.640
   94    H3     U   9           H3         U   9  52.408   5.081   4.306
   95    H5     U   9           H5         U   9  53.412   1.003   4.711
   96    H6     U   9           H6         U   9  55.682   1.569   4.114
   97   1H5*    U  10          1H5*        U  10  60.524   6.329   7.335
   98   2H5*    U  10          2H5*        U  10  60.242   6.185   9.081
   99    H4*    U  10           H4*        U  10  59.319   8.276   7.773
  100    H3*    U  10           H3*        U  10  57.747   6.626   9.801
  101    H2*    U  10           H2*        U  10  56.037   8.267   9.588
  102   2HO*    U  10          2HO*        U  10  56.414  10.303   8.805
  103    H1*    U  10           H1*        U  10  56.334   8.645   6.845
  104    H3     U  10           H3         U  10  52.149   7.070   7.826
  105    H5     U  10           H5         U  10  54.624   3.661   7.766
  106    H6     U  10           H6         U  10  56.544   5.142   7.603
  107   1H5*    U  11          1H5*        U  11  57.611  10.971  11.271
  108   2H5*    U  11          2H5*        U  11  57.617  10.750  13.031
  109    H4*    U  11           H4*        U  11  55.648  12.065  12.071
  110    H3*    U  11           H3*        U  11  55.297   9.583  13.798
  111    H2*    U  11           H2*        U  11  52.954   9.959  13.725
  112   2HO*    U  11          2HO*        U  11  53.678  12.573  12.855
  113    H1*    U  11           H1*        U  11  52.809  10.770  11.103
  114    H3     U  11           H3         U  11  50.490   6.872  11.435
  115    H5     U  11           H5         U  11  54.537   5.707  11.394
  116    H6     U  11           H6         U  11  55.148   8.043  11.515
  117   1H5*    C  12          1H5*        C  12  53.309  12.746  15.812
  118   2H5*    C  12          2H5*        C  12  53.421  12.644  17.580
  119    H4*    C  12           H4*        C  12  51.074  12.555  16.876
  120    H3*    C  12           H3*        C  12  52.278   9.988  17.987
  121    H2*    C  12           H2*        C  12  50.133   8.998  17.840
  122   2HO*    C  12          2HO*        C  12  48.531  10.969  17.015
  123    H1*    C  12           H1*        C  12  49.377  10.186  15.442
  124   1H4     C  12          1H4         C  12  51.175   4.215  14.221
  125   2H4     C  12          2H4         C  12  52.854   4.664  14.346
  126    H5     C  12           H5         C  12  53.581   6.865  14.963
  127    H6     C  12           H6         C  12  52.858   9.091  15.616
  128   1H5*    U  13          1H5*        U  13  50.488   7.888  21.325
  129   2H5*    U  13          2H5*        U  13  51.135   8.007  19.676
  130    H4*    U  13           H4*        U  13  48.206   8.022  19.673
  131    H3*    U  13           H3*        U  13  49.661   5.779  21.128
  132    H2*    U  13           H2*        U  13  48.275   4.223  20.049
  133   2HO*    U  13          2HO*        U  13  46.398   6.128  19.173
  134    H1*    U  13           H1*        U  13  47.764   5.769  17.709
  135    H3     U  13           H3         U  13  48.988   1.293  17.110
  136    H5     U  13           H5         U  13  52.492   3.636  16.898
  137    H6     U  13           H6         U  13  51.217   5.509  17.726
  138   1H5*    C  14          1H5*        C  14  45.946   4.946  21.197
  139   2H5*    C  14          2H5*        C  14  45.181   4.602  22.761
  140    H4*    C  14           H4*        C  14  44.716   2.756  21.281
  141    H3*    C  14           H3*        C  14  46.758   2.245  23.467
  142    H2*    C  14           H2*        C  14  47.065   0.034  22.698
  143   2HO*    C  14          2HO*        C  14  44.651  -0.182  22.438
  144    H1*    C  14           H1*        C  14  46.916   0.532  19.989
  145   1H4     C  14          1H4         C  14  53.122   0.305  21.384
  146   2H4     C  14          2H4         C  14  53.047   1.923  22.045
  147    H5     C  14           H5         C  14  50.992   3.168  22.262
  148    H6     C  14           H6         C  14  48.568   3.119  21.889
  149   1H5*    G  15          1H5*        G  15  45.373  -1.041  26.999
  150   2H5*    G  15          2H5*        G  15  46.499   0.229  26.475
  151    H4*    G  15           H4*        G  15  46.111  -2.355  24.932
  152    H3*    G  15           H3*        G  15  47.154  -2.407  27.474
  153    H2*    G  15           H2*        G  15  48.774  -0.660  27.053
  154   2HO*    G  15          2HO*        G  15  50.570  -2.512  26.159
  155    H1*    G  15           H1*        G  15  49.432  -2.094  24.466
  156    H8     G  15           H8         G  15  51.409  -0.782  23.528
  157    H1     G  15           H1         G  15  49.636   4.704  26.239
  158   1H2     G  15          1H2         G  15  47.746   4.409  27.364
  159   2H2     G  15          2H2         G  15  46.933   2.863  27.433
  160   1H5*    C  16          1H5*        C  16  45.657  -5.118  22.389
  161   2H5*    C  16          2H5*        C  16  47.067  -5.841  23.188
  162    H4*    C  16           H4*        C  16  46.966  -3.383  21.414
  163    H3*    C  16           H3*        C  16  47.842  -6.158  21.113
  164    H2*    C  16           H2*        C  16  50.091  -5.770  21.527
  165   2HO*    C  16          2HO*        C  16  49.550  -5.025  19.055
  166    H1*    C  16           H1*        C  16  49.848  -2.799  21.159
  167   1H4     C  16          1H4         C  16  55.135  -3.266  24.670
  168   2H4     C  16          2H4         C  16  54.422  -4.514  25.668
  169    H5     C  16           H5         C  16  52.193  -5.389  25.302
  170    H6     C  16           H6         C  16  50.189  -5.230  23.918
  171   1H5*    U  17          1H5*        U  17  47.285  -4.891  15.968
  172   2H5*    U  17          2H5*        U  17  48.849  -5.460  15.355
  173    H4*    U  17           H4*        U  17  47.973  -2.729  16.093
  174    H3*    U  17           H3*        U  17  49.694  -4.032  14.083
  175    H2*    U  17           H2*        U  17  51.664  -3.053  14.772
  176   2HO*    U  17          2HO*        U  17  51.053  -0.464  14.920
  177    H1*    U  17           H1*        U  17  50.364  -1.137  16.646
  178    H3     U  17           H3         U  17  55.011  -0.978  17.024
  179    H5     U  17           H5         U  17  53.650  -4.227  19.323
  180    H6     U  17           H6         U  17  51.463  -3.972  18.263
  181   1H5*    G  18          1H5*        G  18  45.391  -3.212  13.057
  182   2H5*    G  18          2H5*        G  18  45.020  -2.356  11.546
  183    H4*    G  18           H4*        G  18  43.415  -1.801  13.363
  184    H3*    G  18           H3*        G  18  45.071   0.235  11.948
  185    H2*    G  18           H2*        G  18  44.817   1.950  13.534
  186   2HO*    G  18          2HO*        G  18  42.474   1.645  13.560
  187    H1*    G  18           H1*        G  18  44.785   0.552  15.869
  188    H8     G  18           H8         G  18  47.435  -1.331  14.521
  189    H1     G  18           H1         G  18  49.324   4.731  14.767
  190   1H2     G  18          1H2         G  18  47.570   6.069  15.050
  191   2H2     G  18          2H2         G  18  45.934   5.463  15.181
  192   1H5*    A  19          1H5*        A  19  41.455   2.314  12.282
  193   2H5*    A  19          2H5*        A  19  40.589   2.381  10.734
  194    H4*    A  19           H4*        A  19  40.543   4.616  11.435
  195    H3*    A  19           H3*        A  19  42.858   4.073   9.566
  196    H2*    A  19           H2*        A  19  43.616   6.323   9.796
  197   2HO*    A  19          2HO*        A  19  41.092   6.717  11.068
  198    H1*    A  19           H1*        A  19  43.562   6.401  12.458
  199    H8     A  19           H8         A  19  44.048   2.812  11.386
  200   1H6     A  19          1H6         A  19  50.083   3.957  11.145
  201   2H6     A  19          2H6         A  19  48.856   2.711  11.082
  202    H2     A  19           H2         A  19  47.938   7.861  11.707
  203   1H5*    C  20          1H5*        C  20  41.678   7.408   8.699
  204   2H5*    C  20          2H5*        C  20  41.755   8.043   7.044
  205    H4*    C  20           H4*        C  20  43.417   9.113   8.565
  206    H3*    C  20           H3*        C  20  44.454   7.401   6.267
  207    H2*    C  20           H2*        C  20  46.617   8.184   6.829
  208   2HO*    C  20          2HO*        C  20  45.367  10.185   8.447
  209    H1*    C  20           H1*        C  20  46.157   8.295   9.605
  210   1H4     C  20          1H4         C  20  50.132   3.520   8.213
  211   2H4     C  20          2H4         C  20  48.767   2.420   8.251
  212    H5     C  20           H5         C  20  46.470   3.177   8.458
  213    H6     C  20           H6         C  20  45.007   5.140   8.653
  214   1H5*    U  21          1H5*        U  21  45.718  11.179   4.855
  215   2H5*    U  21          2H5*        U  21  45.894  11.151   3.088
  216    H4*    U  21           H4*        U  21  48.053  11.053   4.533
  217    H3*    U  21           H3*        U  21  47.322   9.346   2.159
  218    H2*    U  21           H2*        U  21  48.903   7.754   2.649
  219   2HO*    U  21          2HO*        U  21  50.390   9.975   2.558
  220    H1*    U  21           H1*        U  21  49.680   8.807   5.287
  221    H3     U  21           H3         U  21  50.582   4.332   5.356
  222    H5     U  21           H5         U  21  46.382   4.628   5.474
  223    H6     U  21           H6         U  21  46.609   7.003   5.009
  224   1H5*    U  22          1H5*        U  22  51.661  11.469   1.231
  225   2H5*    U  22          2H5*        U  22  51.709  11.324  -0.537
  226    H4*    U  22           H4*        U  22  53.696  10.346   0.797
  227    H3*    U  22           H3*        U  22  52.120   8.882  -1.347
  228    H2*    U  22           H2*        U  22  53.518   6.991  -1.060
  229   2HO*    U  22          2HO*        U  22  55.569   7.232  -0.593
  230    H1*    U  22           H1*        U  22  53.751   7.095   1.674
  231    H3     U  22           H3         U  22  51.396   3.394   0.234
  232    H5     U  22           H5         U  22  48.569   6.427   0.944
  233    H6     U  22           H6         U  22  50.415   7.986   1.149
  234   1H5*    U  23          1H5*        U  23  56.581   8.422  -2.293
  235   2H5*    U  23          2H5*        U  23  56.657   9.096  -3.934
  236    H4*    U  23           H4*        U  23  57.903   7.051  -3.982
  237    H3*    U  23           H3*        U  23  55.158   6.937  -5.247
  238    H2*    U  23           H2*        U  23  55.385   4.628  -5.671
  239   2HO*    U  23          2HO*        U  23  57.870   5.260  -6.144
  240    H1*    U  23           H1*        U  23  56.702   3.878  -3.405
  241    H3     U  23           H3         U  23  52.735   1.868  -2.761
  242    H5     U  23           H5         U  23  51.817   5.970  -2.427
  243    H6     U  23           H6         U  23  54.100   6.468  -3.090
  244   1H5*    C  24          1H5*        C  24  57.680   5.319  -8.737
  245   2H5*    C  24          2H5*        C  24  56.647   5.765 -10.109
  246    H4*    C  24           H4*        C  24  56.969   3.256  -9.687
  247    H3*    C  24           H3*        C  24  54.241   4.591  -9.877
  248    H2*    C  24           H2*        C  24  53.251   2.438  -9.700
  249   2HO*    C  24          2HO*        C  24  55.838   1.259  -9.967
  250    H1*    C  24           H1*        C  24  54.989   1.422  -7.807
  251   1H4     C  24          1H4         C  24  49.752   3.294  -4.704
  252   2H4     C  24          2H4         C  24  50.253   4.965  -4.826
  253    H5     C  24           H5         C  24  52.210   5.673  -6.031
  254    H6     C  24           H6         C  24  54.119   4.930  -7.381
  255   1H5*    A  25          1H5*        A  25  54.992   1.262 -12.083
  256   2H5*    A  25          2H5*        A  25  54.050   0.835 -13.526
  257    H4*    A  25           H4*        A  25  53.954  -0.715 -11.406
  258    H3*    A  25           H3*        A  25  51.675   0.205 -13.166
  259    H2*    A  25           H2*        A  25  50.107  -0.789 -11.777
  260   2HO*    A  25          2HO*        A  25  50.816  -2.550 -10.318
  261    H1*    A  25           H1*        A  25  51.587  -0.743  -9.355
  262    H8     A  25           H8         A  25  51.111   2.679 -10.591
  263   1H6     A  25          1H6         A  25  45.444   2.570  -8.153
  264   2H6     A  25          2H6         A  25  46.690   3.598  -8.824
  265    H2     A  25           H2         A  25  47.024  -1.634  -8.267
  266   1H5*    G  26          1H5*        G  26  52.732  -4.773 -13.236
  267   2H5*    G  26          2H5*        G  26  51.506  -5.415 -14.347
  268    H4*    G  26           H4*        G  26  51.820  -6.571 -12.033
  269    H3*    G  26           H3*        G  26  49.195  -5.768 -13.324
  270    H2*    G  26           H2*        G  26  48.017  -6.629 -11.434
  271   2HO*    G  26          2HO*        G  26  49.297  -7.739  -9.744
  272    H1*    G  26           H1*        G  26  49.576  -5.561  -9.521
  273    H8     G  26           H8         G  26  49.742  -2.910 -11.942
  274    H1     G  26           H1         G  26  43.861  -3.214  -9.586
  275   1H2     G  26          1H2         G  26  43.556  -5.129  -8.523
  276   2H2     G  26          2H2         G  26  44.809  -6.345  -8.390
  277   1H5*    C  27          1H5*        C  27  48.912  -9.425 -12.013
  278   2H5*    C  27          2H5*        C  27  48.373 -10.774 -13.033
  279    H4*    C  27           H4*        C  27  46.978 -10.798 -11.090
  280    H3*    C  27           H3*        C  27  45.667  -9.639 -13.571
  281    H2*    C  27           H2*        C  27  43.648  -9.317 -12.308
  282   2HO*    C  27          2HO*        C  27  44.351 -10.115  -9.852
  283    H1*    C  27           H1*        C  27  44.781  -8.143 -10.200
  284   1H4     C  27          1H4         C  27  43.940  -3.290 -14.221
  285   2H4     C  27          2H4         C  27  45.490  -3.637 -14.947
  286    H5     C  27           H5         C  27  46.806  -5.556 -14.385
  287    H6     C  27           H6         C  27  46.958  -7.562 -13.020
  288   1H5*    C  28          1H5*        C  28  43.099 -11.626 -12.027
  289   2H5*    C  28          2H5*        C  28  42.106 -12.815 -12.892
  290    H4*    C  28           H4*        C  28  40.599 -11.154 -12.057
  291    H3*    C  28           H3*        C  28  41.230 -10.812 -15.018
  292    H2*    C  28           H2*        C  28  39.587  -9.080 -15.056
  293   2HO*    C  28          2HO*        C  28  38.784  -9.197 -12.428
  294    H1*    C  28           H1*        C  28  40.340  -7.905 -12.690
  295   1H4     C  28          1H4         C  28  43.334  -4.713 -17.312
  296   2H4     C  28          2H4         C  28  44.655  -5.857 -17.236
  297    H5     C  28           H5         C  28  44.601  -7.850 -15.866
  298    H6     C  28           H6         C  28  43.275  -9.171 -14.329
  299   1H5*    C  29          1H5*        C  29  37.175 -11.556 -14.109
  300   2H5*    C  29          2H5*        C  29  36.400 -12.958 -14.874
  301    H4*    C  29           H4*        C  29  34.759 -11.250 -14.957
  302    H3*    C  29           H3*        C  29  36.267 -11.578 -17.569
  303    H2*    C  29           H2*        C  29  35.018  -9.806 -18.523
  304   2HO*    C  29          2HO*        C  29  33.188  -8.918 -17.316
  305    H1*    C  29           H1*        C  29  35.030  -8.114 -16.397
  306   1H4     C  29          1H4         C  29  39.982  -6.237 -19.896
  307   2H4     C  29          2H4         C  29  40.824  -7.741 -19.601
  308    H5     C  29           H5         C  29  39.883  -9.549 -18.340
  309    H6     C  29           H6         C  29  37.942 -10.317 -17.061
  310   1H5*    C  30          1H5*        C  30  32.149 -10.547 -18.272
  311   2H5*    C  30          2H5*        C  30  31.735 -11.012 -19.933
  312    H4*    C  30           H4*        C  30  31.895  -8.480 -19.369
  313    H3*    C  30           H3*        C  30  33.362  -9.776 -21.687
  314    H2*    C  30           H2*        C  30  33.994  -7.627 -22.369
  315   2HO*    C  30          2HO*        C  30  32.901  -5.775 -21.147
  316    H1*    C  30           H1*        C  30  34.228  -6.565 -19.768
  317   1H4     C  30          1H4         C  30  40.127  -7.198 -22.042
  318   2H4     C  30          2H4         C  30  40.019  -8.940 -21.918
  319    H5     C  30           H5         C  30  38.009 -10.087 -21.238
  320    H6     C  30           H6         C  30  35.688  -9.828 -20.548
  321    H3T    C  30           H3T        C  30  31.091  -8.103 -21.819
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  38.060   1.840 -25.014
    2   2H5*    G   1          2H5*        G   1  38.955   3.099 -24.138
    3    H4*    G   1           H4*        G   1  36.604   3.064 -23.430
    4    H3*    G   1           H3*        G   1  38.824   2.384 -21.527
    5    H2*    G   1           H2*        G   1  37.337   1.648 -19.807
    6   2HO*    G   1          2HO*        G   1  35.066   2.109 -19.958
    7    H1*    G   1           H1*        G   1  35.545   0.292 -21.297
    8    H8     G   1           H8         G   1  39.244   0.217 -22.411
    9    H1     G   1           H1         G   1  37.451  -4.724 -18.819
   10   1H2     G   1          1H2         G   1  35.374  -4.428 -18.099
   11   2H2     G   1          2H2         G   1  34.434  -3.008 -18.499
   12    H5T    G   1           H5T        G   1  39.310   0.403 -24.175
   13   1H5*    G   2          1H5*        G   2  35.997   3.837 -19.459
   14   2H5*    G   2          2H5*        G   2  36.358   4.887 -18.075
   15    H4*    G   2           H4*        G   2  35.403   2.736 -17.328
   16    H3*    G   2           H3*        G   2  38.259   3.459 -16.662
   17    H2*    G   2           H2*        G   2  38.669   1.368 -15.781
   18   2HO*    G   2          2HO*        G   2  37.378   0.647 -14.263
   19    H1*    G   2           H1*        G   2  36.492  -0.060 -16.993
   20    H8     G   2           H8         G   2  39.360   1.284 -19.046
   21    H1     G   2           H1         G   2  40.719  -4.282 -16.245
   22   1H2     G   2          1H2         G   2  39.065  -4.861 -14.883
   23   2H2     G   2          2H2         G   2  37.635  -3.876 -14.669
   24   1H5*    G   3          1H5*        G   3  35.349   2.839 -13.005
   25   2H5*    G   3          2H5*        G   3  36.089   3.436 -11.507
   26    H4*    G   3           H4*        G   3  35.250   1.022 -11.464
   27    H3*    G   3           H3*        G   3  38.096   1.830 -10.765
   28    H2*    G   3           H2*        G   3  38.580  -0.420 -10.279
   29   2HO*    G   3          2HO*        G   3  35.823  -1.096 -10.439
   30    H1*    G   3           H1*        G   3  37.104  -1.589 -12.272
   31    H8     G   3           H8         G   3  39.034   1.291 -13.643
   32    H1     G   3           H1         G   3  42.683  -3.854 -12.719
   33   1H2     G   3          1H2         G   3  41.587  -5.360 -11.518
   34   2H2     G   3          2H2         G   3  39.955  -5.092 -10.943
   35   1H5*    C   4          1H5*        C   4  36.404  -0.774  -8.520
   36   2H5*    C   4          2H5*        C   4  35.957  -0.403  -6.843
   37    H4*    C   4           H4*        C   4  36.627  -2.630  -6.668
   38    H3*    C   4           H3*        C   4  38.962  -0.784  -6.094
   39    H2*    C   4           H2*        C   4  40.382  -2.675  -5.791
   40   2HO*    C   4          2HO*        C   4  39.630  -4.637  -5.280
   41    H1*    C   4           H1*        C   4  39.574  -4.083  -7.948
   42   1H4     C   4          1H4         C   4  44.280  -0.400 -10.161
   43   2H4     C   4          2H4         C   4  43.212   0.975 -10.166
   44    H5     C   4           H5         C   4  40.996   0.920  -9.337
   45    H6     C   4           H6         C   4  39.253  -0.446  -8.309
   46   1H5*    U   5          1H5*        U   5  38.880  -3.716  -3.166
   47   2H5*    U   5          2H5*        U   5  39.753  -3.297  -1.678
   48    H4*    U   5           H4*        U   5  40.867  -5.072  -3.098
   49    H3*    U   5           H3*        U   5  42.285  -2.458  -2.445
   50    H2*    U   5           H2*        U   5  44.230  -3.409  -3.461
   51   2HO*    U   5          2HO*        U   5  42.950  -5.761  -2.813
   52    H1*    U   5           H1*        U   5  42.941  -4.486  -5.619
   53    H3     U   5           H3         U   5  45.342  -1.022  -7.284
   54    H5     U   5           H5         U   5  42.079   0.811  -5.388
   55    H6     U   5           H6         U   5  41.447  -1.348  -4.502
   56   1H5*    G   6          1H5*        G   6  44.293  -5.777  -1.657
   57   2H5*    G   6          2H5*        G   6  45.609  -5.851  -0.470
   58    H4*    G   6           H4*        G   6  46.287  -6.230  -2.896
   59    H3*    G   6           H3*        G   6  47.516  -4.040  -1.176
   60    H2*    G   6           H2*        G   6  49.025  -3.613  -2.966
   61   2HO*    G   6          2HO*        G   6  48.370  -6.247  -3.636
   62    H1*    G   6           H1*        G   6  47.196  -3.920  -5.011
   63    H8     G   6           H8         G   6  45.348  -1.848  -2.633
   64    H1     G   6           H1         G   6  50.293   1.416  -4.962
   65   1H2     G   6          1H2         G   6  51.645   0.045  -6.065
   66   2H2     G   6          2H2         G   6  51.352  -1.673  -6.192
   67   1H5*    U   7          1H5*        U   7  50.221  -5.715  -2.498
   68   2H5*    U   7          2H5*        U   7  51.395  -6.801  -1.728
   69    H4*    U   7           H4*        U   7  52.948  -5.423  -2.653
   70    H3*    U   7           H3*        U   7  51.934  -3.833  -0.268
   71    H2*    U   7           H2*        U   7  53.304  -2.033  -0.946
   72   2HO*    U   7          2HO*        U   7  54.898  -3.976  -1.804
   73    H1*    U   7           H1*        U   7  52.876  -2.219  -3.632
   74    H3     U   7           H3         U   7  50.795   1.629  -2.570
   75    H5     U   7           H5         U   7  48.561  -1.261  -0.532
   76    H6     U   7           H6         U   7  50.146  -2.939  -1.261
   77   1H5*    U   8          1H5*        U   8  56.752  -4.066  -0.080
   78   2H5*    U   8          2H5*        U   8  56.975  -4.061   1.680
   79    H4*    U   8           H4*        U   8  58.374  -2.353   0.480
   80    H3*    U   8           H3*        U   8  56.298  -1.503   2.536
   81    H2*    U   8           H2*        U   8  57.040   0.752   2.254
   82   2HO*    U   8          2HO*        U   8  59.112  -0.229   0.549
   83    H1*    U   8           H1*        U   8  57.073   0.734  -0.451
   84    H3     U   8           H3         U   8  53.363   3.010   0.882
   85    H5     U   8           H5         U   8  52.273  -1.053   1.096
   86    H6     U   8           H6         U   8  54.595  -1.625   0.678
   87   1H5*    U   9          1H5*        U   9  59.836   0.875   3.042
   88   2H5*    U   9          2H5*        U   9  60.005   1.238   4.770
   89    H4*    U   9           H4*        U   9  59.671   3.219   3.119
   90    H3*    U   9           H3*        U   9  58.020   2.818   5.650
   91    H2*    U   9           H2*        U   9  57.040   4.929   5.219
   92   2HO*    U   9          2HO*        U   9  58.355   5.843   3.074
   93    H1*    U   9           H1*        U   9  56.958   4.664   2.436
   94    H3     U   9           H3         U   9  52.746   5.209   4.217
   95    H5     U   9           H5         U   9  53.604   1.086   4.471
   96    H6     U   9           H6         U   9  55.888   1.589   3.856
   97   1H5*    U  10          1H5*        U  10  60.711   6.341   7.178
   98   2H5*    U  10          2H5*        U  10  60.398   6.207   8.920
   99    H4*    U  10           H4*        U  10  59.464   8.266   7.545
  100    H3*    U  10           H3*        U  10  57.954   6.658   9.648
  101    H2*    U  10           H2*        U  10  56.152   8.148   9.357
  102   2HO*    U  10          2HO*        U  10  58.202   9.891   8.669
  103    H1*    U  10           H1*        U  10  56.538   8.619   6.611
  104    H3     U  10           H3         U  10  52.295   7.109   7.397
  105    H5     U  10           H5         U  10  54.716   3.661   7.442
  106    H6     U  10           H6         U  10  56.665   5.113   7.368
  107   1H5*    U  11          1H5*        U  11  57.250  10.805  10.323
  108   2H5*    U  11          2H5*        U  11  57.612  11.137  12.028
  109    H4*    U  11           H4*        U  11  55.402  12.024  11.469
  110    H3*    U  11           H3*        U  11  55.456   9.572  13.269
  111    H2*    U  11           H2*        U  11  53.109   9.727  13.432
  112   2HO*    U  11          2HO*        U  11  53.595  12.425  12.797
  113    H1*    U  11           H1*        U  11  52.607  10.632  10.855
  114    H3     U  11           H3         U  11  50.371   6.714  11.225
  115    H5     U  11           H5         U  11  54.424   5.581  11.043
  116    H6     U  11           H6         U  11  55.015   7.919  11.122
  117   1H5*    C  12          1H5*        C  12  53.403  12.874  15.901
  118   2H5*    C  12          2H5*        C  12  53.602  12.177  17.521
  119    H4*    C  12           H4*        C  12  51.190  12.501  16.650
  120    H3*    C  12           H3*        C  12  52.271   9.869  17.745
  121    H2*    C  12           H2*        C  12  50.084   8.989  17.545
  122   2HO*    C  12          2HO*        C  12  48.266  10.286  17.381
  123    H1*    C  12           H1*        C  12  49.428  10.277  15.160
  124   1H4     C  12          1H4         C  12  50.822   4.188  13.949
  125   2H4     C  12          2H4         C  12  52.528   4.528  14.069
  126    H5     C  12           H5         C  12  53.397   6.686  14.674
  127    H6     C  12           H6         C  12  52.819   8.955  15.320
  128   1H5*    U  13          1H5*        U  13  50.763   7.823  21.156
  129   2H5*    U  13          2H5*        U  13  51.163   7.985  19.434
  130    H4*    U  13           H4*        U  13  48.272   8.079  19.821
  131    H3*    U  13           H3*        U  13  49.813   5.812  21.135
  132    H2*    U  13           H2*        U  13  48.367   4.251  20.178
  133   2HO*    U  13          2HO*        U  13  46.482   6.388  20.187
  134    H1*    U  13           H1*        U  13  47.520   5.832  17.946
  135    H3     U  13           H3         U  13  48.487   1.426  16.900
  136    H5     U  13           H5         U  13  52.124   3.555  16.679
  137    H6     U  13           H6         U  13  51.015   5.435  17.704
  138   1H5*    C  14          1H5*        C  14  46.167   5.075  21.531
  139   2H5*    C  14          2H5*        C  14  45.448   4.900  23.143
  140    H4*    C  14           H4*        C  14  44.767   2.983  21.902
  141    H3*    C  14           H3*        C  14  47.014   2.478  23.874
  142    H2*    C  14           H2*        C  14  47.144   0.221  23.208
  143   2HO*    C  14          2HO*        C  14  45.121  -0.544  23.176
  144    H1*    C  14           H1*        C  14  46.693   0.565  20.507
  145   1H4     C  14          1H4         C  14  52.997   0.086  21.219
  146   2H4     C  14          2H4         C  14  53.073   1.743  21.773
  147    H5     C  14           H5         C  14  51.120   3.108  22.131
  148    H6     C  14           H6         C  14  48.670   3.172  22.028
  149   1H5*    G  15          1H5*        G  15  45.815  -0.789  27.544
  150   2H5*    G  15          2H5*        G  15  46.949   0.448  26.963
  151    H4*    G  15           H4*        G  15  46.349  -2.111  25.441
  152    H3*    G  15           H3*        G  15  47.649  -2.167  27.865
  153    H2*    G  15           H2*        G  15  49.241  -0.445  27.260
  154   2HO*    G  15          2HO*        G  15  51.195  -1.749  26.605
  155    H1*    G  15           H1*        G  15  49.594  -1.930  24.638
  156    H8     G  15           H8         G  15  51.555  -0.724  23.562
  157    H1     G  15           H1         G  15  50.088   4.936  26.084
  158   1H2     G  15          1H2         G  15  48.281   4.754  27.349
  159   2H2     G  15          2H2         G  15  47.436   3.239  27.565
  160   1H5*    C  16          1H5*        C  16  45.590  -4.792  22.937
  161   2H5*    C  16          2H5*        C  16  47.069  -5.556  23.553
  162    H4*    C  16           H4*        C  16  46.820  -3.063  21.842
  163    H3*    C  16           H3*        C  16  47.529  -5.848  21.364
  164    H2*    C  16           H2*        C  16  49.827  -5.586  21.582
  165   2HO*    C  16          2HO*        C  16  49.248  -5.093  19.201
  166    H1*    C  16           H1*        C  16  49.709  -2.596  21.271
  167   1H4     C  16          1H4         C  16  55.246  -3.293  24.334
  168   2H4     C  16          2H4         C  16  54.572  -4.534  25.366
  169    H5     C  16           H5         C  16  52.302  -5.337  25.161
  170    H6     C  16           H6         C  16  50.203  -5.106  23.930
  171   1H5*    U  17          1H5*        U  17  46.412  -4.438  16.342
  172   2H5*    U  17          2H5*        U  17  47.815  -5.162  15.537
  173    H4*    U  17           H4*        U  17  47.243  -2.340  16.148
  174    H3*    U  17           H3*        U  17  48.722  -3.917  14.133
  175    H2*    U  17           H2*        U  17  50.795  -3.006  14.582
  176   2HO*    U  17          2HO*        U  17  50.326  -0.382  14.598
  177    H1*    U  17           H1*        U  17  49.777  -0.885  16.414
  178    H3     U  17           H3         U  17  54.436  -1.002  16.399
  179    H5     U  17           H5         U  17  53.132  -4.108  18.923
  180    H6     U  17           H6         U  17  50.862  -3.733  18.103
  181   1H5*    G  18          1H5*        G  18  44.509  -2.911  13.273
  182   2H5*    G  18          2H5*        G  18  44.076  -2.230  11.691
  183    H4*    G  18           H4*        G  18  42.599  -1.371  13.472
  184    H3*    G  18           H3*        G  18  44.314   0.395  11.803
  185    H2*    G  18           H2*        G  18  44.303   2.259  13.224
  186   2HO*    G  18          2HO*        G  18  42.350   1.636  15.008
  187    H1*    G  18           H1*        G  18  44.162   1.109  15.704
  188    H8     G  18           H8         G  18  46.666  -1.063  14.446
  189    H1     G  18           H1         G  18  49.010   4.845  14.471
  190   1H2     G  18          1H2         G  18  47.361   6.322  14.706
  191   2H2     G  18          2H2         G  18  45.685   5.844  14.858
  192   1H5*    A  19          1H5*        A  19  41.177   2.888  12.262
  193   2H5*    A  19          2H5*        A  19  40.116   2.943  10.839
  194    H4*    A  19           H4*        A  19  40.414   5.207  11.163
  195    H3*    A  19           H3*        A  19  42.713   4.224   9.441
  196    H2*    A  19           H2*        A  19  43.604   6.449   9.421
  197   2HO*    A  19          2HO*        A  19  42.441   8.194  10.024
  198    H1*    A  19           H1*        A  19  43.522   6.794  12.065
  199    H8     A  19           H8         A  19  43.803   3.101  11.216
  200   1H6     A  19          1H6         A  19  49.903   3.869  11.086
  201   2H6     A  19          2H6         A  19  48.603   2.700  11.031
  202    H2     A  19           H2         A  19  47.994   7.917  11.485
  203   1H5*    C  20          1H5*        C  20  41.697   7.744   8.170
  204   2H5*    C  20          2H5*        C  20  42.060   8.131   6.477
  205    H4*    C  20           H4*        C  20  43.488   9.291   8.282
  206    H3*    C  20           H3*        C  20  44.701   7.684   5.996
  207    H2*    C  20           H2*        C  20  46.805   8.525   6.706
  208   2HO*    C  20          2HO*        C  20  45.580  10.301   8.547
  209    H1*    C  20           H1*        C  20  46.213   8.424   9.441
  210   1H4     C  20          1H4         C  20  50.205   3.701   7.880
  211   2H4     C  20          2H4         C  20  48.834   2.609   7.895
  212    H5     C  20           H5         C  20  46.539   3.372   8.117
  213    H6     C  20           H6         C  20  45.089   5.336   8.356
  214   1H5*    U  21          1H5*        U  21  46.147  11.444   4.697
  215   2H5*    U  21          2H5*        U  21  46.374  11.338   2.940
  216    H4*    U  21           H4*        U  21  48.491  11.273   4.441
  217    H3*    U  21           H3*        U  21  47.813   9.342   2.204
  218    H2*    U  21           H2*        U  21  49.644   8.027   2.722
  219   2HO*    U  21          2HO*        U  21  50.986  10.193   3.978
  220    H1*    U  21           H1*        U  21  50.047   8.944   5.425
  221    H3     U  21           H3         U  21  50.779   4.429   5.090
  222    H5     U  21           H5         U  21  46.598   4.915   5.176
  223    H6     U  21           H6         U  21  46.949   7.308   4.913
  224   1H5*    U  22          1H5*        U  22  52.009  11.334   1.309
  225   2H5*    U  22          2H5*        U  22  52.111  11.287  -0.462
  226    H4*    U  22           H4*        U  22  54.060  10.218   0.778
  227    H3*    U  22           H3*        U  22  52.380   8.750  -1.282
  228    H2*    U  22           H2*        U  22  53.777   6.844  -1.021
  229   2HO*    U  22          2HO*        U  22  55.783   7.971  -1.002
  230    H1*    U  22           H1*        U  22  53.970   6.911   1.696
  231    H3     U  22           H3         U  22  51.306   3.399   0.434
  232    H5     U  22           H5         U  22  48.762   6.744   0.634
  233    H6     U  22           H6         U  22  50.738   8.120   0.891
  234   1H5*    U  23          1H5*        U  23  56.530   8.466  -2.539
  235   2H5*    U  23          2H5*        U  23  56.702   9.141  -4.172
  236    H4*    U  23           H4*        U  23  57.853   7.087  -4.291
  237    H3*    U  23           H3*        U  23  55.022   6.882  -5.355
  238    H2*    U  23           H2*        U  23  55.326   4.574  -5.757
  239   2HO*    U  23          2HO*        U  23  57.328   4.663  -6.791
  240    H1*    U  23           H1*        U  23  56.785   3.941  -3.543
  241    H3     U  23           H3         U  23  52.896   1.807  -2.702
  242    H5     U  23           H5         U  23  51.905   5.889  -2.328
  243    H6     U  23           H6         U  23  54.123   6.433  -3.128
  244   1H5*    C  24          1H5*        C  24  57.602   5.143  -8.625
  245   2H5*    C  24          2H5*        C  24  56.747   5.516 -10.135
  246    H4*    C  24           H4*        C  24  57.052   3.052  -9.712
  247    H3*    C  24           H3*        C  24  54.290   4.293  -9.977
  248    H2*    C  24           H2*        C  24  53.336   2.131  -9.773
  249   2HO*    C  24          2HO*        C  24  55.953   1.004  -9.991
  250    H1*    C  24           H1*        C  24  55.036   1.171  -7.828
  251   1H4     C  24          1H4         C  24  49.784   3.102  -4.791
  252   2H4     C  24          2H4         C  24  50.268   4.772  -4.972
  253    H5     C  24           H5         C  24  52.213   5.460  -6.200
  254    H6     C  24           H6         C  24  54.130   4.698  -7.524
  255   1H5*    A  25          1H5*        A  25  55.106   0.916 -12.093
  256   2H5*    A  25          2H5*        A  25  54.189   0.465 -13.545
  257    H4*    A  25           H4*        A  25  54.034  -1.048 -11.405
  258    H3*    A  25           H3*        A  25  51.788  -0.120 -13.206
  259    H2*    A  25           H2*        A  25  50.182  -1.047 -11.812
  260   2HO*    A  25          2HO*        A  25  52.119  -2.740 -10.593
  261    H1*    A  25           H1*        A  25  51.646  -0.998  -9.376
  262    H8     A  25           H8         A  25  51.229   2.414 -10.705
  263   1H6     A  25          1H6         A  25  45.583   2.469  -8.197
  264   2H6     A  25          2H6         A  25  46.835   3.460  -8.915
  265    H2     A  25           H2         A  25  47.092  -1.754  -8.202
  266   1H5*    G  26          1H5*        G  26  52.729  -5.129 -13.205
  267   2H5*    G  26          2H5*        G  26  51.490  -5.756 -14.309
  268    H4*    G  26           H4*        G  26  51.780  -6.911 -11.999
  269    H3*    G  26           H3*        G  26  49.152  -6.021 -13.233
  270    H2*    G  26           H2*        G  26  48.002  -6.903 -11.327
  271   2HO*    G  26          2HO*        G  26  49.063  -8.204  -9.796
  272    H1*    G  26           H1*        G  26  49.620  -5.857  -9.446
  273    H8     G  26           H8         G  26  49.781  -3.187 -11.840
  274    H1     G  26           H1         G  26  43.885  -3.501  -9.523
  275   1H2     G  26          1H2         G  26  43.576  -5.418  -8.460
  276   2H2     G  26          2H2         G  26  44.830  -6.632  -8.319
  277   1H5*    C  27          1H5*        C  27  48.825  -9.682 -12.010
  278   2H5*    C  27          2H5*        C  27  48.280 -11.028 -13.030
  279    H4*    C  27           H4*        C  27  46.888 -11.078 -11.095
  280    H3*    C  27           H3*        C  27  45.566  -9.830 -13.526
  281    H2*    C  27           H2*        C  27  43.564  -9.530 -12.226
  282   2HO*    C  27          2HO*        C  27  43.140 -10.732 -10.515
  283    H1*    C  27           H1*        C  27  44.741  -8.434 -10.096
  284   1H4     C  27          1H4         C  27  43.860  -3.435 -13.917
  285   2H4     C  27          2H4         C  27  45.407  -3.745 -14.669
  286    H5     C  27           H5         C  27  46.735  -5.691 -14.198
  287    H6     C  27           H6         C  27  46.886  -7.758 -12.916
  288   1H5*    C  28          1H5*        C  28  42.960 -11.818 -11.965
  289   2H5*    C  28          2H5*        C  28  41.918 -12.926 -12.877
  290    H4*    C  28           H4*        C  28  40.487 -11.245 -11.929
  291    H3*    C  28           H3*        C  28  41.063 -10.799 -14.890
  292    H2*    C  28           H2*        C  28  39.459  -9.030 -14.809
  293   2HO*    C  28          2HO*        C  28  38.030 -10.355 -13.360
  294    H1*    C  28           H1*        C  28  40.304  -7.984 -12.414
  295   1H4     C  28          1H4         C  28  43.192  -4.644 -17.002
  296   2H4     C  28          2H4         C  28  44.493  -5.814 -17.029
  297    H5     C  28           H5         C  28  44.453  -7.865 -15.740
  298    H6     C  28           H6         C  28  43.157  -9.228 -14.214
  299   1H5*    C  29          1H5*        C  29  36.944 -11.573 -14.017
  300   2H5*    C  29          2H5*        C  29  36.200 -12.918 -14.903
  301    H4*    C  29           H4*        C  29  34.567 -11.196 -14.929
  302    H3*    C  29           H3*        C  29  36.167 -11.369 -17.502
  303    H2*    C  29           H2*        C  29  34.886  -9.583 -18.397
  304   2HO*    C  29          2HO*        C  29  33.143 -10.120 -16.209
  305    H1*    C  29           H1*        C  29  34.863  -7.997 -16.195
  306   1H4     C  29          1H4         C  29  39.836  -5.976 -19.588
  307   2H4     C  29          2H4         C  29  40.694  -7.472 -19.312
  308    H5     C  29           H5         C  29  39.762  -9.318 -18.103
  309    H6     C  29           H6         C  29  37.815 -10.138 -16.865
  310   1H5*    C  30          1H5*        C  30  32.151 -10.418 -18.244
  311   2H5*    C  30          2H5*        C  30  31.720 -10.816 -19.918
  312    H4*    C  30           H4*        C  30  31.849  -8.315 -19.275
  313    H3*    C  30           H3*        C  30  33.377  -9.495 -21.614
  314    H2*    C  30           H2*        C  30  33.976  -7.312 -22.200
  315   2HO*    C  30          2HO*        C  30  31.555  -6.707 -21.568
  316    H1*    C  30           H1*        C  30  34.117  -6.340 -19.555
  317   1H4     C  30          1H4         C  30  40.058  -6.664 -21.783
  318   2H4     C  30          2H4         C  30  40.029  -8.411 -21.683
  319    H5     C  30           H5         C  30  38.062  -9.663 -21.041
  320    H6     C  30           H6         C  30  35.724  -9.511 -20.375
  321    H3T    C  30           H3T        C  30  30.923  -9.453 -21.320
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  38.632   0.663 -25.539
    2   2H5*    G   1          2H5*        G   1  39.185   2.311 -25.174
    3    H4*    G   1           H4*        G   1  37.038   2.271 -24.241
    4    H3*    G   1           H3*        G   1  39.223   1.786 -22.241
    5    H2*    G   1           H2*        G   1  37.709   1.131 -20.508
    6   2HO*    G   1          2HO*        G   1  35.675   2.256 -22.177
    7    H1*    G   1           H1*        G   1  35.971  -0.351 -21.943
    8    H8     G   1           H8         G   1  39.732  -0.442 -22.881
    9    H1     G   1           H1         G   1  37.754  -5.307 -19.279
   10   1H2     G   1          1H2         G   1  35.634  -4.996 -18.678
   11   2H2     G   1          2H2         G   1  34.716  -3.591 -19.168
   12    H5T    G   1           H5T        G   1  40.823   1.027 -24.562
   13   1H5*    G   2          1H5*        G   2  36.293   3.330 -20.391
   14   2H5*    G   2          2H5*        G   2  36.554   4.506 -19.089
   15    H4*    G   2           H4*        G   2  35.634   2.414 -18.176
   16    H3*    G   2           H3*        G   2  38.476   3.206 -17.508
   17    H2*    G   2           H2*        G   2  38.832   1.212 -16.389
   18   2HO*    G   2          2HO*        G   2  37.224   0.204 -15.191
   19    H1*    G   2           H1*        G   2  36.787  -0.354 -17.611
   20    H8     G   2           H8         G   2  39.691   1.000 -19.627
   21    H1     G   2           H1         G   2  41.127  -4.373 -16.517
   22   1H2     G   2          1H2         G   2  39.450  -4.939 -15.184
   23   2H2     G   2          2H2         G   2  37.983  -3.995 -15.063
   24   1H5*    G   3          1H5*        G   3  35.406   2.935 -13.980
   25   2H5*    G   3          2H5*        G   3  35.980   3.788 -12.532
   26    H4*    G   3           H4*        G   3  35.224   1.410 -12.121
   27    H3*    G   3           H3*        G   3  37.998   2.422 -11.446
   28    H2*    G   3           H2*        G   3  38.707   0.316 -10.817
   29   2HO*    G   3          2HO*        G   3  35.948  -0.330 -10.486
   30    H1*    G   3           H1*        G   3  37.194  -1.253 -12.517
   31    H8     G   3           H8         G   3  39.028   1.517 -14.264
   32    H1     G   3           H1         G   3  42.744  -3.495 -12.980
   33   1H2     G   3          1H2         G   3  41.694  -4.890 -11.620
   34   2H2     G   3          2H2         G   3  40.076  -4.586 -11.028
   35   1H5*    C   4          1H5*        C   4  35.940  -0.044  -8.668
   36   2H5*    C   4          2H5*        C   4  36.020   0.448  -6.965
   37    H4*    C   4           H4*        C   4  36.422  -1.948  -7.125
   38    H3*    C   4           H3*        C   4  38.804  -0.196  -6.425
   39    H2*    C   4           H2*        C   4  40.128  -2.170  -6.191
   40   2HO*    C   4          2HO*        C   4  38.763  -3.559  -5.119
   41    H1*    C   4           H1*        C   4  39.286  -3.405  -8.446
   42   1H4     C   4          1H4         C   4  44.298   0.105 -10.248
   43   2H4     C   4          2H4         C   4  43.272   1.512 -10.351
   44    H5     C   4           H5         C   4  40.998   1.526  -9.688
   45    H6     C   4           H6         C   4  39.145   0.225  -8.784
   46   1H5*    U   5          1H5*        U   5  38.628  -3.213  -3.252
   47   2H5*    U   5          2H5*        U   5  39.698  -2.667  -1.946
   48    H4*    U   5           H4*        U   5  40.461  -4.670  -3.429
   49    H3*    U   5           H3*        U   5  42.149  -2.240  -2.714
   50    H2*    U   5           H2*        U   5  43.978  -3.289  -3.841
   51   2HO*    U   5          2HO*        U   5  43.144  -5.560  -4.775
   52    H1*    U   5           H1*        U   5  42.577  -4.108  -6.024
   53    H3     U   5           H3         U   5  45.179  -0.651  -7.398
   54    H5     U   5           H5         U   5  41.916   1.177  -5.501
   55    H6     U   5           H6         U   5  41.198  -1.005  -4.746
   56   1H5*    G   6          1H5*        G   6  44.016  -5.668  -1.971
   57   2H5*    G   6          2H5*        G   6  45.301  -5.783  -0.752
   58    H4*    G   6           H4*        G   6  46.070  -6.098  -3.144
   59    H3*    G   6           H3*        G   6  47.198  -3.869  -1.398
   60    H2*    G   6           H2*        G   6  48.739  -3.417  -3.159
   61   2HO*    G   6          2HO*        G   6  48.266  -5.153  -5.056
   62    H1*    G   6           H1*        G   6  46.946  -3.705  -5.222
   63    H8     G   6           H8         G   6  44.998  -1.754  -2.815
   64    H1     G   6           H1         G   6  49.923   1.689  -4.916
   65   1H2     G   6          1H2         G   6  51.336   0.382  -6.029
   66   2H2     G   6          2H2         G   6  51.081  -1.336  -6.223
   67   1H5*    U   7          1H5*        U   7  49.993  -5.468  -2.724
   68   2H5*    U   7          2H5*        U   7  51.151  -6.552  -1.929
   69    H4*    U   7           H4*        U   7  52.715  -5.200  -2.879
   70    H3*    U   7           H3*        U   7  51.749  -3.608  -0.477
   71    H2*    U   7           H2*        U   7  53.109  -1.799  -1.169
   72   2HO*    U   7          2HO*        U   7  55.029  -2.524  -1.806
   73    H1*    U   7           H1*        U   7  52.562  -1.898  -3.815
   74    H3     U   7           H3         U   7  50.340   1.783  -2.493
   75    H5     U   7           H5         U   7  48.249  -1.328  -0.622
   76    H6     U   7           H6         U   7  49.913  -2.881  -1.449
   77   1H5*    U   8          1H5*        U   8  56.558  -3.625  -0.373
   78   2H5*    U   8          2H5*        U   8  56.797  -3.658   1.384
   79    H4*    U   8           H4*        U   8  58.078  -1.830   0.247
   80    H3*    U   8           H3*        U   8  55.927  -1.149   2.290
   81    H2*    U   8           H2*        U   8  56.531   1.146   2.062
   82   2HO*    U   8          2HO*        U   8  58.446   1.801   1.234
   83    H1*    U   8           H1*        U   8  56.696   1.171  -0.652
   84    H3     U   8           H3         U   8  52.883   3.382   0.435
   85    H5     U   8           H5         U   8  51.892  -0.696   0.823
   86    H6     U   8           H6         U   8  54.236  -1.224   0.489
   87   1H5*    U   9          1H5*        U   9  59.499   1.148   3.193
   88   2H5*    U   9          2H5*        U   9  59.560   1.442   4.941
   89    H4*    U   9           H4*        U   9  59.407   3.494   3.354
   90    H3*    U   9           H3*        U   9  57.596   3.045   5.762
   91    H2*    U   9           H2*        U   9  56.664   5.185   5.352
   92   2HO*    U   9          2HO*        U   9  59.100   5.807   4.659
   93    H1*    U   9           H1*        U   9  56.687   5.025   2.574
   94    H3     U   9           H3         U   9  52.381   5.387   4.164
   95    H5     U   9           H5         U   9  53.365   1.287   4.385
   96    H6     U   9           H6         U   9  55.653   1.874   3.872
   97   1H5*    U  10          1H5*        U  10  60.293   6.493   7.199
   98   2H5*    U  10          2H5*        U  10  60.175   6.460   8.970
   99    H4*    U  10           H4*        U  10  59.172   8.509   7.777
  100    H3*    U  10           H3*        U  10  57.587   6.779   9.724
  101    H2*    U  10           H2*        U  10  55.814   8.329   9.508
  102   2HO*    U  10          2HO*        U  10  56.631  10.314   8.038
  103    H1*    U  10           H1*        U  10  56.183   8.881   6.798
  104    H3     U  10           H3         U  10  52.011   7.165   7.444
  105    H5     U  10           H5         U  10  54.574   3.820   7.546
  106    H6     U  10           H6         U  10  56.458   5.350   7.516
  107   1H5*    U  11          1H5*        U  11  56.996  11.083  10.758
  108   2H5*    U  11          2H5*        U  11  57.192  11.113  12.522
  109    H4*    U  11           H4*        U  11  55.057  12.173  11.727
  110    H3*    U  11           H3*        U  11  55.037   9.760  13.572
  111    H2*    U  11           H2*        U  11  52.679   9.841  13.615
  112   2HO*    U  11          2HO*        U  11  52.563  12.112  14.031
  113    H1*    U  11           H1*        U  11  52.251  10.616  11.008
  114    H3     U  11           H3         U  11  50.324   6.531  11.384
  115    H5     U  11           H5         U  11  54.459   5.738  11.351
  116    H6     U  11           H6         U  11  54.856   8.116  11.404
  117   1H5*    C  12          1H5*        C  12  52.739  12.960  16.086
  118   2H5*    C  12          2H5*        C  12  52.940  12.289  17.716
  119    H4*    C  12           H4*        C  12  50.536  12.447  16.765
  120    H3*    C  12           H3*        C  12  51.771   9.953  17.994
  121    H2*    C  12           H2*        C  12  49.709   8.844  17.713
  122   2HO*    C  12          2HO*        C  12  47.889   9.899  17.980
  123    H1*    C  12           H1*        C  12  49.031   9.951  15.261
  124   1H4     C  12          1H4         C  12  51.305   4.079  14.347
  125   2H4     C  12          2H4         C  12  52.938   4.672  14.478
  126    H5     C  12           H5         C  12  53.467   6.952  15.014
  127    H6     C  12           H6         C  12  52.547   9.129  15.564
  128   1H5*    U  13          1H5*        U  13  49.548   8.139  21.713
  129   2H5*    U  13          2H5*        U  13  50.609   7.778  20.335
  130    H4*    U  13           H4*        U  13  47.615   7.605  19.966
  131    H3*    U  13           H3*        U  13  49.377   5.631  21.470
  132    H2*    U  13           H2*        U  13  48.302   3.879  20.354
  133   2HO*    U  13          2HO*        U  13  46.094   5.368  19.491
  134    H1*    U  13           H1*        U  13  47.465   5.391  18.062
  135    H3     U  13           H3         U  13  49.097   1.146  17.125
  136    H5     U  13           H5         U  13  52.400   3.773  17.135
  137    H6     U  13           H6         U  13  50.966   5.469  18.093
  138   1H5*    C  14          1H5*        C  14  45.808   4.295  21.370
  139   2H5*    C  14          2H5*        C  14  44.956   4.066  22.910
  140    H4*    C  14           H4*        C  14  44.590   2.059  21.723
  141    H3*    C  14           H3*        C  14  46.809   1.852  23.774
  142    H2*    C  14           H2*        C  14  47.266  -0.373  23.134
  143   2HO*    C  14          2HO*        C  14  45.637  -1.308  21.490
  144    H1*    C  14           H1*        C  14  46.927  -0.099  20.423
  145   1H4     C  14          1H4         C  14  53.180   0.476  21.408
  146   2H4     C  14          2H4         C  14  52.952   2.083  22.059
  147    H5     C  14           H5         C  14  50.785   3.081  22.388
  148    H6     C  14           H6         C  14  48.366   2.745  22.152
  149   1H5*    G  15          1H5*        G  15  46.031  -1.372  27.504
  150   2H5*    G  15          2H5*        G  15  46.986  -0.054  26.797
  151    H4*    G  15           H4*        G  15  46.662  -2.725  25.401
  152    H3*    G  15           H3*        G  15  47.859  -2.656  27.858
  153    H2*    G  15           H2*        G  15  49.284  -0.770  27.333
  154   2HO*    G  15          2HO*        G  15  51.342  -2.129  26.522
  155    H1*    G  15           H1*        G  15  49.985  -2.171  24.744
  156    H8     G  15           H8         G  15  51.750  -0.652  23.708
  157    H1     G  15           H1         G  15  49.358   4.658  26.289
  158   1H2     G  15          1H2         G  15  47.580   4.164  27.519
  159   2H2     G  15          2H2         G  15  46.988   2.529  27.696
  160   1H5*    C  16          1H5*        C  16  46.269  -5.328  22.822
  161   2H5*    C  16          2H5*        C  16  47.751  -6.041  23.489
  162    H4*    C  16           H4*        C  16  47.447  -3.559  21.785
  163    H3*    C  16           H3*        C  16  48.459  -6.271  21.403
  164    H2*    C  16           H2*        C  16  50.699  -5.766  21.766
  165   2HO*    C  16          2HO*        C  16  50.429  -5.508  19.401
  166    H1*    C  16           H1*        C  16  50.277  -2.810  21.408
  167   1H4     C  16          1H4         C  16  55.692  -2.893  24.750
  168   2H4     C  16          2H4         C  16  55.121  -4.221  25.737
  169    H5     C  16           H5         C  16  52.968  -5.276  25.420
  170    H6     C  16           H6         C  16  50.910  -5.265  24.099
  171   1H5*    U  17          1H5*        U  17  47.689  -5.046  16.265
  172   2H5*    U  17          2H5*        U  17  49.266  -5.564  15.641
  173    H4*    U  17           H4*        U  17  48.282  -2.853  16.302
  174    H3*    U  17           H3*        U  17  50.068  -4.145  14.336
  175    H2*    U  17           H2*        U  17  51.987  -3.036  14.978
  176   2HO*    U  17          2HO*        U  17  51.246  -0.484  15.079
  177    H1*    U  17           H1*        U  17  50.608  -1.145  16.819
  178    H3     U  17           H3         U  17  55.233  -0.753  17.161
  179    H5     U  17           H5         U  17  54.087  -4.064  19.488
  180    H6     U  17           H6         U  17  51.867  -3.921  18.474
  181   1H5*    G  18          1H5*        G  18  45.727  -3.581  13.351
  182   2H5*    G  18          2H5*        G  18  45.293  -2.825  11.804
  183    H4*    G  18           H4*        G  18  43.690  -2.263  13.622
  184    H3*    G  18           H3*        G  18  45.185  -0.251  12.028
  185    H2*    G  18           H2*        G  18  44.959   1.553  13.509
  186   2HO*    G  18          2HO*        G  18  42.610   0.167  14.233
  187    H1*    G  18           H1*        G  18  44.962   0.314  15.949
  188    H8     G  18           H8         G  18  47.672  -1.546  14.665
  189    H1     G  18           H1         G  18  49.388   4.570  14.767
  190   1H2     G  18          1H2         G  18  47.593   5.865  15.004
  191   2H2     G  18          2H2         G  18  45.975   5.215  15.141
  192   1H5*    A  19          1H5*        A  19  41.490   2.068  12.753
  193   2H5*    A  19          2H5*        A  19  40.732   2.056  11.147
  194    H4*    A  19           H4*        A  19  40.685   4.330  11.869
  195    H3*    A  19           H3*        A  19  42.836   3.665   9.851
  196    H2*    A  19           H2*        A  19  43.660   5.902   9.923
  197   2HO*    A  19          2HO*        A  19  42.281   7.466  10.295
  198    H1*    A  19           H1*        A  19  43.798   6.107  12.576
  199    H8     A  19           H8         A  19  44.147   2.468  11.574
  200   1H6     A  19          1H6         A  19  50.193   3.490  11.100
  201   2H6     A  19          2H6         A  19  48.942   2.267  11.104
  202    H2     A  19           H2         A  19  48.144   7.446  11.661
  203   1H5*    C  20          1H5*        C  20  41.463   7.271   8.635
  204   2H5*    C  20          2H5*        C  20  41.811   7.565   6.921
  205    H4*    C  20           H4*        C  20  43.238   8.789   8.743
  206    H3*    C  20           H3*        C  20  44.382   7.301   6.343
  207    H2*    C  20           H2*        C  20  46.492   8.193   6.971
  208   2HO*    C  20          2HO*        C  20  46.244   9.803   8.935
  209    H1*    C  20           H1*        C  20  46.051   7.986   9.734
  210   1H4     C  20          1H4         C  20  50.130   3.488   7.817
  211   2H4     C  20          2H4         C  20  48.805   2.341   7.837
  212    H5     C  20           H5         C  20  46.495   3.003   8.185
  213    H6     C  20           H6         C  20  44.982   4.897   8.565
  214   1H5*    U  21          1H5*        U  21  45.441  11.222   5.153
  215   2H5*    U  21          2H5*        U  21  45.630  11.297   3.389
  216    H4*    U  21           H4*        U  21  47.781  11.243   4.860
  217    H3*    U  21           H3*        U  21  47.188   9.644   2.374
  218    H2*    U  21           H2*        U  21  48.874   8.138   2.774
  219   2HO*    U  21          2HO*        U  21  50.505  10.049   4.070
  220    H1*    U  21           H1*        U  21  49.524   8.990   5.501
  221    H3     U  21           H3         U  21  50.581   4.561   5.100
  222    H5     U  21           H5         U  21  46.383   4.699   5.311
  223    H6     U  21           H6         U  21  46.525   7.116   5.080
  224   1H5*    U  22          1H5*        U  22  51.510  11.671   1.686
  225   2H5*    U  22          2H5*        U  22  51.604  11.639  -0.086
  226    H4*    U  22           H4*        U  22  53.481  10.437   1.196
  227    H3*    U  22           H3*        U  22  51.820   9.185  -1.015
  228    H2*    U  22           H2*        U  22  53.045   7.180  -0.793
  229   2HO*    U  22          2HO*        U  22  54.946   8.719   0.683
  230    H1*    U  22           H1*        U  22  53.361   7.203   1.952
  231    H3     U  22           H3         U  22  50.799   3.577   1.006
  232    H5     U  22           H5         U  22  48.169   6.847   0.729
  233    H6     U  22           H6         U  22  50.089   8.302   0.956
  234   1H5*    U  23          1H5*        U  23  56.185   8.674  -1.973
  235   2H5*    U  23          2H5*        U  23  56.391   9.366  -3.594
  236    H4*    U  23           H4*        U  23  57.531   7.282  -3.665
  237    H3*    U  23           H3*        U  23  54.780   7.217  -4.927
  238    H2*    U  23           H2*        U  23  54.992   4.914  -5.352
  239   2HO*    U  23          2HO*        U  23  57.757   4.995  -4.708
  240    H1*    U  23           H1*        U  23  56.364   4.164  -3.103
  241    H3     U  23           H3         U  23  52.472   2.011  -2.454
  242    H5     U  23           H5         U  23  51.396   6.075  -2.156
  243    H6     U  23           H6         U  23  53.658   6.654  -2.814
  244   1H5*    C  24          1H5*        C  24  57.568   5.382  -8.184
  245   2H5*    C  24          2H5*        C  24  56.708   5.850  -9.664
  246    H4*    C  24           H4*        C  24  57.003   3.347  -9.319
  247    H3*    C  24           H3*        C  24  54.293   4.668  -9.698
  248    H2*    C  24           H2*        C  24  53.259   2.541  -9.596
  249   2HO*    C  24          2HO*        C  24  54.780   0.623  -9.535
  250    H1*    C  24           H1*        C  24  54.839   1.453  -7.615
  251   1H4     C  24          1H4         C  24  49.501   3.406  -4.761
  252   2H4     C  24          2H4         C  24  50.018   5.073  -4.876
  253    H5     C  24           H5         C  24  52.032   5.757  -5.996
  254    H6     C  24           H6         C  24  53.998   4.993  -7.246
  255   1H5*    A  25          1H5*        A  25  55.112   1.300 -11.910
  256   2H5*    A  25          2H5*        A  25  54.195   0.933 -13.384
  257    H4*    A  25           H4*        A  25  53.964  -0.614 -11.252
  258    H3*    A  25           H3*        A  25  51.808   0.358 -13.139
  259    H2*    A  25           H2*        A  25  50.136  -0.548 -11.815
  260   2HO*    A  25          2HO*        A  25  52.043  -2.510 -11.488
  261    H1*    A  25           H1*        A  25  51.531  -0.576  -9.330
  262    H8     A  25           H8         A  25  51.151   2.862 -10.593
  263   1H6     A  25          1H6         A  25  45.446   2.869  -8.219
  264   2H6     A  25          2H6         A  25  46.716   3.874  -8.884
  265    H2     A  25           H2         A  25  46.953  -1.356  -8.278
  266   1H5*    G  26          1H5*        G  26  52.666  -4.667 -13.201
  267   2H5*    G  26          2H5*        G  26  51.383  -5.291 -14.255
  268    H4*    G  26           H4*        G  26  51.733  -6.335 -11.869
  269    H3*    G  26           H3*        G  26  49.105  -5.596 -13.196
  270    H2*    G  26           H2*        G  26  47.952  -6.409 -11.257
  271   2HO*    G  26          2HO*        G  26  50.307  -7.192  -9.942
  272    H1*    G  26           H1*        G  26  49.480  -5.187  -9.428
  273    H8     G  26           H8         G  26  49.658  -2.657 -11.950
  274    H1     G  26           H1         G  26  43.698  -2.975  -9.800
  275   1H2     G  26          1H2         G  26  43.380  -4.840  -8.669
  276   2H2     G  26          2H2         G  26  44.643  -6.032  -8.435
  277   1H5*    C  27          1H5*        C  27  48.952  -9.169 -11.828
  278   2H5*    C  27          2H5*        C  27  48.403 -10.628 -12.677
  279    H4*    C  27           H4*        C  27  47.034 -10.470 -10.736
  280    H3*    C  27           H3*        C  27  45.669  -9.480 -13.262
  281    H2*    C  27           H2*        C  27  43.686  -9.060 -11.965
  282   2HO*    C  27          2HO*        C  27  43.326 -10.001 -10.061
  283    H1*    C  27           H1*        C  27  44.896  -7.757  -9.971
  284   1H4     C  27          1H4         C  27  43.908  -3.148 -14.222
  285   2H4     C  27          2H4         C  27  45.438  -3.525 -14.978
  286    H5     C  27           H5         C  27  46.784  -5.415 -14.354
  287    H6     C  27           H6         C  27  46.969  -7.352 -12.895
  288   1H5*    C  28          1H5*        C  28  43.274 -11.419 -11.611
  289   2H5*    C  28          2H5*        C  28  42.238 -12.712 -12.244
  290    H4*    C  28           H4*        C  28  40.711 -11.022 -11.633
  291    H3*    C  28           H3*        C  28  41.392 -10.808 -14.596
  292    H2*    C  28           H2*        C  28  39.750  -9.079 -14.729
  293   2HO*    C  28          2HO*        C  28  38.736  -8.799 -12.335
  294    H1*    C  28           H1*        C  28  40.453  -7.818 -12.397
  295   1H4     C  28          1H4         C  28  43.450  -4.748 -17.095
  296   2H4     C  28          2H4         C  28  44.768  -5.895 -17.006
  297    H5     C  28           H5         C  28  44.718  -7.856 -15.595
  298    H6     C  28           H6         C  28  43.403  -9.138 -14.008
  299   1H5*    C  29          1H5*        C  29  37.120 -11.165 -13.756
  300   2H5*    C  29          2H5*        C  29  36.508 -12.640 -14.532
  301    H4*    C  29           H4*        C  29  34.793 -10.984 -14.774
  302    H3*    C  29           H3*        C  29  36.420 -11.589 -17.248
  303    H2*    C  29           H2*        C  29  35.307  -9.915 -18.481
  304   2HO*    C  29          2HO*        C  29  33.436  -9.531 -16.374
  305    H1*    C  29           H1*        C  29  35.152  -7.986 -16.579
  306   1H4     C  29          1H4         C  29  40.419  -6.506 -19.773
  307   2H4     C  29          2H4         C  29  41.204  -7.989 -19.284
  308    H5     C  29           H5         C  29  40.125  -9.670 -17.954
  309    H6     C  29           H6         C  29  38.074 -10.290 -16.765
  310   1H5*    C  30          1H5*        C  30  32.343 -10.608 -18.432
  311   2H5*    C  30          2H5*        C  30  32.126 -11.293 -20.053
  312    H4*    C  30           H4*        C  30  32.240  -8.712 -19.821
  313    H3*    C  30           H3*        C  30  33.979 -10.286 -21.749
  314    H2*    C  30           H2*        C  30  34.659  -8.224 -22.642
  315   2HO*    C  30          2HO*        C  30  33.105  -6.462 -21.296
  316    H1*    C  30           H1*        C  30  34.645  -6.849 -20.190
  317   1H4     C  30          1H4         C  30  40.732  -7.846 -21.730
  318   2H4     C  30          2H4         C  30  40.553  -9.564 -21.453
  319    H5     C  30           H5         C  30  38.453 -10.592 -20.873
  320    H6     C  30           H6         C  30  36.084 -10.211 -20.446
  321    H3T    C  30           H3T        C  30  31.561  -8.783 -22.068
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  41.407   3.772 -23.070
    2   2H5*    G   1          2H5*        G   1  40.984   5.112 -21.985
    3    H4*    G   1           H4*        G   1  38.909   4.469 -22.879
    4    H3*    G   1           H3*        G   1  39.462   3.373 -20.139
    5    H2*    G   1           H2*        G   1  37.609   1.880 -20.178
    6   2HO*    G   1          2HO*        G   1  36.353   3.766 -21.284
    7    H1*    G   1           H1*        G   1  37.747   1.008 -22.734
    8    H8     G   1           H8         G   1  41.229   1.604 -21.310
    9    H1     G   1           H1         G   1  38.809  -4.099 -19.788
   10   1H2     G   1          1H2         G   1  36.667  -4.195 -20.373
   11   2H2     G   1          2H2         G   1  35.840  -2.858 -21.139
   12    H5T    G   1           H5T        G   1  42.325   3.760 -20.874
   13   1H5*    G   2          1H5*        G   2  36.256   3.796 -19.300
   14   2H5*    G   2          2H5*        G   2  35.661   5.014 -18.152
   15    H4*    G   2           H4*        G   2  35.152   3.150 -16.919
   16    H3*    G   2           H3*        G   2  38.061   3.782 -16.389
   17    H2*    G   2           H2*        G   2  38.386   1.759 -15.327
   18   2HO*    G   2          2HO*        G   2  36.962   0.991 -13.871
   19    H1*    G   2           H1*        G   2  36.086   0.370 -16.388
   20    H8     G   2           H8         G   2  39.042   1.375 -18.517
   21    H1     G   2           H1         G   2  39.852  -4.223 -15.576
   22   1H2     G   2          1H2         G   2  38.136  -4.608 -14.218
   23   2H2     G   2          2H2         G   2  36.808  -3.484 -14.043
   24   1H5*    G   3          1H5*        G   3  35.277   3.675 -12.540
   25   2H5*    G   3          2H5*        G   3  36.182   4.297 -11.146
   26    H4*    G   3           H4*        G   3  35.138   1.958 -10.913
   27    H3*    G   3           H3*        G   3  38.047   2.628 -10.354
   28    H2*    G   3           H2*        G   3  38.456   0.394  -9.799
   29   2HO*    G   3          2HO*        G   3  36.489  -1.044  -9.541
   30    H1*    G   3           H1*        G   3  36.748  -0.820 -11.595
   31    H8     G   3           H8         G   3  38.879   1.819 -13.193
   32    H1     G   3           H1         G   3  42.006  -3.665 -12.288
   33   1H2     G   3          1H2         G   3  40.808  -5.019 -11.001
   34   2H2     G   3          2H2         G   3  39.240  -4.566 -10.369
   35   1H5*    C   4          1H5*        C   4  36.088   0.318  -7.844
   36   2H5*    C   4          2H5*        C   4  35.832   0.791  -6.153
   37    H4*    C   4           H4*        C   4  36.222  -1.529  -6.027
   38    H3*    C   4           H3*        C   4  38.727   0.084  -5.467
   39    H2*    C   4           H2*        C   4  39.961  -1.931  -5.176
   40   2HO*    C   4          2HO*        C   4  37.897  -2.882  -4.098
   41    H1*    C   4           H1*        C   4  38.983  -3.279  -7.307
   42   1H4     C   4          1H4         C   4  44.059  -0.183  -9.593
   43   2H4     C   4          2H4         C   4  43.135   1.291  -9.666
   44    H5     C   4           H5         C   4  40.918   1.493  -8.851
   45    H6     C   4           H6         C   4  39.046   0.354  -7.780
   46   1H5*    U   5          1H5*        U   5  38.465  -2.836  -2.341
   47   2H5*    U   5          2H5*        U   5  39.528  -2.376  -0.997
   48    H4*    U   5           H4*        U   5  40.280  -4.362  -2.450
   49    H3*    U   5           H3*        U   5  42.033  -1.929  -1.906
   50    H2*    U   5           H2*        U   5  43.796  -3.115  -3.003
   51   2HO*    U   5          2HO*        U   5  43.626  -5.315  -3.498
   52    H1*    U   5           H1*        U   5  42.278  -4.042  -5.078
   53    H3     U   5           H3         U   5  44.992  -0.918  -6.905
   54    H5     U   5           H5         U   5  42.074   1.321  -4.888
   55    H6     U   5           H6         U   5  41.228  -0.736  -3.936
   56   1H5*    G   6          1H5*        G   6  43.566  -5.295  -1.358
   57   2H5*    G   6          2H5*        G   6  44.771  -5.809  -0.160
   58    H4*    G   6           H4*        G   6  45.601  -6.109  -2.472
   59    H3*    G   6           H3*        G   6  46.956  -4.025  -0.714
   60    H2*    G   6           H2*        G   6  48.534  -3.702  -2.454
   61   2HO*    G   6          2HO*        G   6  47.507  -6.139  -3.542
   62    H1*    G   6           H1*        G   6  46.756  -3.913  -4.562
   63    H8     G   6           H8         G   6  45.066  -1.658  -2.190
   64    H1     G   6           H1         G   6  50.180   1.177  -4.696
   65   1H2     G   6          1H2         G   6  51.411  -0.308  -5.795
   66   2H2     G   6          2H2         G   6  50.990  -2.003  -5.881
   67   1H5*    U   7          1H5*        U   7  49.562  -5.934  -2.004
   68   2H5*    U   7          2H5*        U   7  50.621  -7.110  -1.200
   69    H4*    U   7           H4*        U   7  52.307  -5.884  -2.103
   70    H3*    U   7           H3*        U   7  51.388  -4.167   0.234
   71    H2*    U   7           H2*        U   7  52.931  -2.513  -0.441
   72   2HO*    U   7          2HO*        U   7  54.322  -4.644  -1.304
   73    H1*    U   7           H1*        U   7  52.546  -2.722  -3.139
   74    H3     U   7           H3         U   7  50.759   1.318  -2.290
   75    H5     U   7           H5         U   7  48.292  -1.284  -0.147
   76    H6     U   7           H6         U   7  49.742  -3.117  -0.776
   77   1H5*    U   8          1H5*        U   8  56.195  -4.811   0.534
   78   2H5*    U   8          2H5*        U   8  56.363  -4.750   2.299
   79    H4*    U   8           H4*        U   8  57.945  -3.223   1.087
   80    H3*    U   8           H3*        U   8  55.873  -2.068   3.001
   81    H2*    U   8           H2*        U   8  56.902   0.071   2.662
   82   2HO*    U   8          2HO*        U   8  58.908   0.298   1.878
   83    H1*    U   8           H1*        U   8  57.002  -0.089  -0.034
   84    H3     U   8           H3         U   8  53.523   2.644   1.044
   85    H5     U   8           H5         U   8  51.996  -1.258   1.474
   86    H6     U   8           H6         U   8  54.251  -2.101   1.152
   87   1H5*    U   9          1H5*        U   9  59.479   0.062   3.605
   88   2H5*    U   9          2H5*        U   9  59.499   0.590   5.297
   89    H4*    U   9           H4*        U   9  59.353   2.404   3.444
   90    H3*    U   9           H3*        U   9  57.441   2.281   5.818
   91    H2*    U   9           H2*        U   9  56.653   4.408   5.096
   92   2HO*    U   9          2HO*        U   9  58.200   5.712   4.444
   93    H1*    U   9           H1*        U   9  56.704   3.809   2.386
   94    H3     U   9           H3         U   9  52.427   4.587   3.946
   95    H5     U   9           H5         U   9  53.225   0.509   4.674
   96    H6     U   9           H6         U   9  55.526   0.914   4.073
   97   1H5*    U  10          1H5*        U  10  60.394   5.733   7.309
   98   2H5*    U  10          2H5*        U  10  59.925   5.826   9.020
   99    H4*    U  10           H4*        U  10  59.425   7.845   7.383
  100    H3*    U  10           H3*        U  10  57.558   6.680   9.488
  101    H2*    U  10           H2*        U  10  55.993   8.373   8.918
  102   2HO*    U  10          2HO*        U  10  56.797  10.043   7.307
  103    H1*    U  10           H1*        U  10  56.410   8.312   6.188
  104    H3     U  10           H3         U  10  52.174   6.994   7.447
  105    H5     U  10           H5         U  10  54.542   3.507   7.470
  106    H6     U  10           H6         U  10  56.498   4.914   7.193
  107   1H5*    U  11          1H5*        U  11  57.247  11.056  10.188
  108   2H5*    U  11          2H5*        U  11  57.432  11.152  11.951
  109    H4*    U  11           H4*        U  11  55.320  12.212  11.098
  110    H3*    U  11           H3*        U  11  55.228   9.865  13.026
  111    H2*    U  11           H2*        U  11  52.866  10.055  13.071
  112   2HO*    U  11          2HO*        U  11  51.893  11.979  11.994
  113    H1*    U  11           H1*        U  11  52.488  10.653  10.415
  114    H3     U  11           H3         U  11  50.550   6.603  11.150
  115    H5     U  11           H5         U  11  54.676   5.788  10.906
  116    H6     U  11           H6         U  11  55.077   8.173  10.831
  117   1H5*    C  12          1H5*        C  12  53.144  13.136  15.339
  118   2H5*    C  12          2H5*        C  12  53.410  12.721  17.044
  119    H4*    C  12           H4*        C  12  50.985  12.697  16.312
  120    H3*    C  12           H3*        C  12  52.322  10.190  17.420
  121    H2*    C  12           H2*        C  12  50.202   9.148  17.369
  122   2HO*    C  12          2HO*        C  12  49.319  11.784  17.566
  123    H1*    C  12           H1*        C  12  49.324  10.324  14.993
  124   1H4     C  12          1H4         C  12  51.010   4.286  13.915
  125   2H4     C  12          2H4         C  12  52.696   4.727  13.918
  126    H5     C  12           H5         C  12  53.469   6.953  14.397
  127    H6     C  12           H6         C  12  52.794   9.211  14.987
  128   1H5*    U  13          1H5*        U  13  50.701   8.123  20.870
  129   2H5*    U  13          2H5*        U  13  51.214   8.181  19.172
  130    H4*    U  13           H4*        U  13  48.289   8.177  19.415
  131    H3*    U  13           H3*        U  13  49.897   6.018  20.828
  132    H2*    U  13           H2*        U  13  48.515   4.376  19.891
  133   2HO*    U  13          2HO*        U  13  46.544   6.402  19.467
  134    H1*    U  13           H1*        U  13  47.731   5.835  17.565
  135    H3     U  13           H3         U  13  49.002   1.417  16.836
  136    H5     U  13           H5         U  13  52.471   3.796  16.486
  137    H6     U  13           H6         U  13  51.219   5.647  17.393
  138   1H5*    C  14          1H5*        C  14  46.260   5.115  21.146
  139   2H5*    C  14          2H5*        C  14  45.538   4.906  22.753
  140    H4*    C  14           H4*        C  14  44.976   2.951  21.517
  141    H3*    C  14           H3*        C  14  47.194   2.606  23.543
  142    H2*    C  14           H2*        C  14  47.597   0.392  22.862
  143   2HO*    C  14          2HO*        C  14  44.934   0.564  21.934
  144    H1*    C  14           H1*        C  14  47.166   0.665  20.158
  145   1H4     C  14          1H4         C  14  53.473   0.975  20.832
  146   2H4     C  14          2H4         C  14  53.348   2.593  21.484
  147    H5     C  14           H5         C  14  51.243   3.682  21.918
  148    H6     C  14           H6         C  14  48.801   3.443  21.823
  149   1H5*    G  15          1H5*        G  15  46.633   0.005  27.402
  150   2H5*    G  15          2H5*        G  15  47.454   1.067  26.240
  151    H4*    G  15           H4*        G  15  46.636  -1.663  25.306
  152    H3*    G  15           H3*        G  15  47.970  -1.701  27.671
  153    H2*    G  15           H2*        G  15  49.623  -0.062  27.002
  154   2HO*    G  15          2HO*        G  15  51.372  -1.241  27.325
  155    H1*    G  15           H1*        G  15  50.051  -1.639  24.460
  156    H8     G  15           H8         G  15  51.887  -0.339  23.255
  157    H1     G  15           H1         G  15  50.285   5.241  25.880
  158   1H2     G  15          1H2         G  15  48.531   4.975  27.209
  159   2H2     G  15          2H2         G  15  47.758   3.424  27.441
  160   1H5*    C  16          1H5*        C  16  45.795  -4.304  22.814
  161   2H5*    C  16          2H5*        C  16  47.196  -5.182  23.458
  162    H4*    C  16           H4*        C  16  47.155  -2.749  21.656
  163    H3*    C  16           H3*        C  16  47.792  -5.596  21.371
  164    H2*    C  16           H2*        C  16  50.095  -5.363  21.510
  165   2HO*    C  16          2HO*        C  16  50.106  -5.279  19.301
  166    H1*    C  16           H1*        C  16  50.027  -2.386  21.128
  167   1H4     C  16          1H4         C  16  55.564  -3.158  24.168
  168   2H4     C  16          2H4         C  16  54.859  -4.332  25.256
  169    H5     C  16           H5         C  16  52.557  -5.061  25.106
  170    H6     C  16           H6         C  16  50.453  -4.802  23.888
  171   1H5*    U  17          1H5*        U  17  46.877  -4.526  16.230
  172   2H5*    U  17          2H5*        U  17  48.351  -5.249  15.558
  173    H4*    U  17           H4*        U  17  47.732  -2.421  16.181
  174    H3*    U  17           H3*        U  17  49.236  -3.966  14.149
  175    H2*    U  17           H2*        U  17  51.299  -3.057  14.653
  176   2HO*    U  17          2HO*        U  17  50.823  -0.430  14.709
  177    H1*    U  17           H1*        U  17  50.218  -0.977  16.497
  178    H3     U  17           H3         U  17  54.873  -0.997  16.579
  179    H5     U  17           H5         U  17  53.562  -4.135  19.060
  180    H6     U  17           H6         U  17  51.313  -3.811  18.166
  181   1H5*    G  18          1H5*        G  18  44.970  -3.044  13.322
  182   2H5*    G  18          2H5*        G  18  44.517  -2.243  11.803
  183    H4*    G  18           H4*        G  18  43.046  -1.573  13.690
  184    H3*    G  18           H3*        G  18  44.672   0.364  12.104
  185    H2*    G  18           H2*        G  18  44.529   2.143  13.629
  186   2HO*    G  18          2HO*        G  18  42.502   0.877  15.154
  187    H1*    G  18           H1*        G  18  44.621   0.841  16.012
  188    H8     G  18           H8         G  18  47.138  -1.154  14.558
  189    H1     G  18           H1         G  18  49.187   4.860  14.469
  190   1H2     G  18          1H2         G  18  47.490   6.254  14.828
  191   2H2     G  18          2H2         G  18  45.853   5.696  15.092
  192   1H5*    A  19          1H5*        A  19  41.470   2.569  12.493
  193   2H5*    A  19          2H5*        A  19  40.345   2.652  11.122
  194    H4*    A  19           H4*        A  19  40.627   4.909  11.523
  195    H3*    A  19           H3*        A  19  42.826   4.029   9.626
  196    H2*    A  19           H2*        A  19  43.673   6.270   9.624
  197   2HO*    A  19          2HO*        A  19  41.178   6.832  10.853
  198    H1*    A  19           H1*        A  19  43.722   6.552  12.283
  199    H8     A  19           H8         A  19  44.107   2.885  11.397
  200   1H6     A  19          1H6         A  19  50.155   3.908  10.895
  201   2H6     A  19          2H6         A  19  48.907   2.682  10.929
  202    H2     A  19           H2         A  19  48.100   7.869  11.358
  203   1H5*    C  20          1H5*        C  20  41.676   7.491   8.389
  204   2H5*    C  20          2H5*        C  20  41.895   7.857   6.667
  205    H4*    C  20           H4*        C  20  43.470   9.064   8.268
  206    H3*    C  20           H3*        C  20  44.540   7.284   6.037
  207    H2*    C  20           H2*        C  20  46.693   8.114   6.595
  208   2HO*    C  20          2HO*        C  20  45.835  10.357   6.736
  209    H1*    C  20           H1*        C  20  46.222   8.243   9.356
  210   1H4     C  20          1H4         C  20  50.125   3.394   8.000
  211   2H4     C  20          2H4         C  20  48.750   2.312   8.091
  212    H5     C  20           H5         C  20  46.467   3.101   8.319
  213    H6     C  20           H6         C  20  45.031   5.085   8.488
  214   1H5*    U  21          1H5*        U  21  46.012  10.966   4.489
  215   2H5*    U  21          2H5*        U  21  46.173  10.782   2.730
  216    H4*    U  21           H4*        U  21  48.339  10.765   4.180
  217    H3*    U  21           H3*        U  21  47.589   8.840   1.971
  218    H2*    U  21           H2*        U  21  49.296   7.395   2.515
  219   2HO*    U  21          2HO*        U  21  50.708   9.441   2.122
  220    H1*    U  21           H1*        U  21  49.906   8.459   5.150
  221    H3     U  21           H3         U  21  50.584   3.940   5.130
  222    H5     U  21           H5         U  21  46.410   4.466   5.308
  223    H6     U  21           H6         U  21  46.765   6.828   4.859
  224   1H5*    U  22          1H5*        U  22  51.881  10.934   0.831
  225   2H5*    U  22          2H5*        U  22  51.916  10.644  -0.919
  226    H4*    U  22           H4*        U  22  53.945   9.832   0.438
  227    H3*    U  22           H3*        U  22  52.351   8.102  -1.487
  228    H2*    U  22           H2*        U  22  53.867   6.309  -1.060
  229   2HO*    U  22          2HO*        U  22  55.494   7.929   0.595
  230    H1*    U  22           H1*        U  22  53.987   6.596   1.637
  231    H3     U  22           H3         U  22  51.471   2.923   0.425
  232    H5     U  22           H5         U  22  48.792   6.148   0.763
  233    H6     U  22           H6         U  22  50.714   7.615   0.921
  234   1H5*    U  23          1H5*        U  23  56.813   7.805  -2.702
  235   2H5*    U  23          2H5*        U  23  56.713   8.276  -4.411
  236    H4*    U  23           H4*        U  23  58.101   6.302  -4.255
  237    H3*    U  23           H3*        U  23  55.348   5.988  -5.459
  238    H2*    U  23           H2*        U  23  55.627   3.650  -5.671
  239   2HO*    U  23          2HO*        U  23  58.201   3.348  -4.837
  240    H1*    U  23           H1*        U  23  56.887   3.135  -3.334
  241    H3     U  23           H3         U  23  52.810   1.357  -2.592
  242    H5     U  23           H5         U  23  52.119   5.517  -2.490
  243    H6     U  23           H6         U  23  54.421   5.853  -3.186
  244   1H5*    C  24          1H5*        C  24  57.799   4.080  -8.708
  245   2H5*    C  24          2H5*        C  24  56.903   4.503 -10.181
  246    H4*    C  24           H4*        C  24  56.998   2.029  -9.706
  247    H3*    C  24           H3*        C  24  54.355   3.523  -9.874
  248    H2*    C  24           H2*        C  24  53.215   1.466  -9.571
  249   2HO*    C  24          2HO*        C  24  55.733   0.301 -10.233
  250    H1*    C  24           H1*        C  24  54.900   0.394  -7.674
  251   1H4     C  24          1H4         C  24  49.954   2.940  -4.568
  252   2H4     C  24          2H4         C  24  50.611   4.544  -4.795
  253    H5     C  24           H5         C  24  52.597   4.991  -6.077
  254    H6     C  24           H6         C  24  54.391   3.990  -7.418
  255   1H5*    A  25          1H5*        A  25  54.775   0.011 -11.942
  256   2H5*    A  25          2H5*        A  25  53.758  -0.371 -13.345
  257    H4*    A  25           H4*        A  25  53.589  -1.852 -11.180
  258    H3*    A  25           H3*        A  25  51.354  -0.785 -12.910
  259    H2*    A  25           H2*        A  25  49.727  -1.535 -11.440
  260   2HO*    A  25          2HO*        A  25  51.669  -3.499 -10.782
  261    H1*    A  25           H1*        A  25  51.253  -1.548  -9.052
  262    H8     A  25           H8         A  25  51.144   1.849 -10.469
  263   1H6     A  25          1H6         A  25  45.594   2.527  -7.856
  264   2H6     A  25          2H6         A  25  46.921   3.368  -8.627
  265    H2     A  25           H2         A  25  46.684  -1.826  -7.768
  266   1H5*    G  26          1H5*        G  26  51.843  -5.852 -12.732
  267   2H5*    G  26          2H5*        G  26  50.550  -6.390 -13.821
  268    H4*    G  26           H4*        G  26  50.735  -7.514 -11.488
  269    H3*    G  26           H3*        G  26  48.206  -6.422 -12.759
  270    H2*    G  26           H2*        G  26  46.964  -7.098 -10.837
  271   2HO*    G  26          2HO*        G  26  49.073  -8.247  -9.448
  272    H1*    G  26           H1*        G  26  48.691  -6.214  -8.961
  273    H8     G  26           H8         G  26  49.107  -3.616 -11.414
  274    H1     G  26           H1         G  26  43.275  -3.224  -8.947
  275   1H2     G  26          1H2         G  26  42.781  -5.075  -7.838
  276   2H2     G  26          2H2         G  26  43.893  -6.420  -7.703
  277   1H5*    C  27          1H5*        C  27  47.591  -9.909 -11.471
  278   2H5*    C  27          2H5*        C  27  47.069 -11.352 -12.364
  279    H4*    C  27           H4*        C  27  45.529 -11.242 -10.597
  280    H3*    C  27           H3*        C  27  44.426  -9.908 -13.092
  281    H2*    C  27           H2*        C  27  42.407  -9.416 -11.889
  282   2HO*    C  27          2HO*        C  27  41.773 -10.711 -10.341
  283    H1*    C  27           H1*        C  27  43.576  -8.440  -9.691
  284   1H4     C  27          1H4         C  27  43.211  -3.381 -13.520
  285   2H4     C  27          2H4         C  27  44.730  -3.830 -14.260
  286    H5     C  27           H5         C  27  45.879  -5.878 -13.763
  287    H6     C  27           H6         C  27  45.847  -7.938 -12.465
  288   1H5*    C  28          1H5*        C  28  41.683 -11.776 -11.789
  289   2H5*    C  28          2H5*        C  28  40.635 -12.889 -12.689
  290    H4*    C  28           H4*        C  28  39.191 -11.155 -11.959
  291    H3*    C  28           H3*        C  28  40.091 -10.698 -14.836
  292    H2*    C  28           H2*        C  28  38.581  -8.848 -14.890
  293   2HO*    C  28          2HO*        C  28  37.394  -8.672 -12.607
  294    H1*    C  28           H1*        C  28  39.217  -7.882 -12.394
  295   1H4     C  28          1H4         C  28  42.721  -4.618 -16.585
  296   2H4     C  28          2H4         C  28  43.946  -5.865 -16.533
  297    H5     C  28           H5         C  28  43.672  -7.937 -15.316
  298    H6     C  28           H6         C  28  42.169  -9.254 -13.936
  299   1H5*    C  29          1H5*        C  29  35.845 -10.698 -15.531
  300   2H5*    C  29          2H5*        C  29  35.549 -12.227 -16.384
  301    H4*    C  29           H4*        C  29  34.428 -10.725 -17.762
  302    H3*    C  29           H3*        C  29  37.297 -11.000 -18.721
  303    H2*    C  29           H2*        C  29  36.859  -9.427 -20.426
  304   2HO*    C  29          2HO*        C  29  34.548  -8.747 -20.717
  305    H1*    C  29           H1*        C  29  35.224  -7.738 -18.998
  306   1H4     C  29          1H4         C  29  40.844  -4.820 -18.861
  307   2H4     C  29          2H4         C  29  41.601  -6.188 -18.081
  308    H5     C  29           H5         C  29  40.438  -8.216 -17.571
  309    H6     C  29           H6         C  29  38.289  -9.386 -17.659
  310   1H5*    C  30          1H5*        C  30  34.403 -10.724 -22.048
  311   2H5*    C  30          2H5*        C  30  35.236 -11.255 -23.522
  312    H4*    C  30           H4*        C  30  34.595  -8.746 -23.306
  313    H3*    C  30           H3*        C  30  37.396  -9.698 -23.992
  314    H2*    C  30           H2*        C  30  37.938  -7.454 -24.414
  315   2HO*    C  30          2HO*        C  30  35.529  -7.310 -25.391
  316    H1*    C  30           H1*        C  30  36.334  -6.398 -22.361
  317   1H4     C  30          1H4         C  30  42.352  -5.950 -20.373
  318   2H4     C  30          2H4         C  30  42.482  -7.691 -20.261
  319    H5     C  30           H5         C  30  40.712  -9.188 -20.918
  320    H6     C  30           H6         C  30  38.453  -9.350 -21.827
  321    H3T    C  30           H3T        C  30  36.186 -10.237 -25.679
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  40.258   5.133 -22.271
    2   2H5*    G   1          2H5*        G   1  40.243   6.422 -21.050
    3    H4*    G   1           H4*        G   1  38.011   5.721 -21.066
    4    H3*    G   1           H3*        G   1  39.629   4.474 -18.864
    5    H2*    G   1           H2*        G   1  37.925   2.906 -18.284
    6   2HO*    G   1          2HO*        G   1  36.137   4.348 -19.992
    7    H1*    G   1           H1*        G   1  37.117   2.173 -20.746
    8    H8     G   1           H8         G   1  40.843   3.043 -20.353
    9    H1     G   1           H1         G   1  39.467  -3.123 -19.498
   10   1H2     G   1          1H2         G   1  37.267  -3.421 -19.573
   11   2H2     G   1          2H2         G   1  36.149  -2.099 -19.827
   12    H5T    G   1           H5T        G   1  41.898   5.219 -20.423
   13   1H5*    G   2          1H5*        G   2  36.445   4.783 -17.426
   14   2H5*    G   2          2H5*        G   2  35.958   5.553 -15.902
   15    H4*    G   2           H4*        G   2  35.475   3.317 -15.463
   16    H3*    G   2           H3*        G   2  38.285   3.958 -14.541
   17    H2*    G   2           H2*        G   2  38.727   1.724 -14.133
   18   2HO*    G   2          2HO*        G   2  36.637   1.871 -12.733
   19    H1*    G   2           H1*        G   2  36.650   0.577 -15.756
   20    H8     G   2           H8         G   2  39.683   2.496 -17.039
   21    H1     G   2           H1         G   2  40.723  -3.748 -16.296
   22   1H2     G   2          1H2         G   2  38.933  -4.699 -15.394
   23   2H2     G   2          2H2         G   2  37.494  -3.797 -14.983
   24   1H5*    G   3          1H5*        G   3  35.149   2.624 -11.276
   25   2H5*    G   3          2H5*        G   3  35.764   2.783  -9.619
   26    H4*    G   3           H4*        G   3  34.839   0.487 -10.286
   27    H3*    G   3           H3*        G   3  37.580   0.957  -9.072
   28    H2*    G   3           H2*        G   3  38.060  -1.331  -9.213
   29   2HO*    G   3          2HO*        G   3  35.436  -2.102  -9.863
   30    H1*    G   3           H1*        G   3  36.696  -1.920 -11.550
   31    H8     G   3           H8         G   3  38.805   1.098 -12.059
   32    H1     G   3           H1         G   3  42.181  -4.303 -12.287
   33   1H2     G   3          1H2         G   3  40.964  -5.994 -11.531
   34   2H2     G   3          2H2         G   3  39.320  -5.788 -10.969
   35   1H5*    C   4          1H5*        C   4  35.833  -2.307  -7.781
   36   2H5*    C   4          2H5*        C   4  35.256  -2.263  -6.103
   37    H4*    C   4           H4*        C   4  36.058  -4.436  -6.216
   38    H3*    C   4           H3*        C   4  38.319  -2.619  -5.322
   39    H2*    C   4           H2*        C   4  39.785  -4.494  -5.267
   40   2HO*    C   4          2HO*        C   4  38.904  -6.651  -5.602
   41    H1*    C   4           H1*        C   4  39.021  -5.608  -7.624
   42   1H4     C   4          1H4         C   4  43.816  -1.695  -9.126
   43   2H4     C   4          2H4         C   4  42.801  -0.306  -8.864
   44    H5     C   4           H5         C   4  40.565  -0.440  -8.072
   45    H6     C   4           H6         C   4  38.760  -1.931  -7.355
   46   1H5*    U   5          1H5*        U   5  38.633  -5.976  -2.327
   47   2H5*    U   5          2H5*        U   5  39.695  -5.243  -1.108
   48    H4*    U   5           H4*        U   5  40.622  -7.142  -2.676
   49    H3*    U   5           H3*        U   5  42.025  -4.524  -1.996
   50    H2*    U   5           H2*        U   5  43.925  -5.393  -3.163
   51   2HO*    U   5          2HO*        U   5  44.216  -7.509  -3.533
   52    H1*    U   5           H1*        U   5  42.528  -6.355  -5.297
   53    H3     U   5           H3         U   5  44.770  -2.724  -6.818
   54    H5     U   5           H5         U   5  41.577  -1.109  -4.632
   55    H6     U   5           H6         U   5  41.018  -3.348  -3.893
   56   1H5*    G   6          1H5*        G   6  44.399  -7.823  -1.093
   57   2H5*    G   6          2H5*        G   6  45.735  -7.555   0.044
   58    H4*    G   6           H4*        G   6  46.340  -8.074  -2.416
   59    H3*    G   6           H3*        G   6  47.415  -5.719  -0.818
   60    H2*    G   6           H2*        G   6  48.810  -5.192  -2.671
   61   2HO*    G   6          2HO*        G   6  48.058  -7.452  -4.163
   62    H1*    G   6           H1*        G   6  46.949  -5.676  -4.635
   63    H8     G   6           H8         G   6  44.966  -3.848  -2.166
   64    H1     G   6           H1         G   6  49.439  -0.052  -4.629
   65   1H2     G   6          1H2         G   6  50.906  -1.253  -5.791
   66   2H2     G   6          2H2         G   6  50.796  -2.994  -5.922
   67   1H5*    U   7          1H5*        U   7  50.240  -7.151  -2.202
   68   2H5*    U   7          2H5*        U   7  51.518  -8.120  -1.440
   69    H4*    U   7           H4*        U   7  52.925  -6.644  -2.447
   70    H3*    U   7           H3*        U   7  51.873  -5.112  -0.042
   71    H2*    U   7           H2*        U   7  53.081  -3.208  -0.784
   72   2HO*    U   7          2HO*        U   7  54.651  -3.345  -2.427
   73    H1*    U   7           H1*        U   7  52.471  -3.399  -3.417
   74    H3     U   7           H3         U   7  49.952   0.113  -2.199
   75    H5     U   7           H5         U   7  48.169  -3.096  -0.182
   76    H6     U   7           H6         U   7  49.956  -4.527  -0.970
   77   1H5*    U   8          1H5*        U   8  56.498  -4.614   0.182
   78   2H5*    U   8          2H5*        U   8  56.758  -4.596   1.937
   79    H4*    U   8           H4*        U   8  57.648  -2.560   0.740
   80    H3*    U   8           H3*        U   8  55.498  -2.308   2.880
   81    H2*    U   8           H2*        U   8  55.621   0.029   2.651
   82   2HO*    U   8          2HO*        U   8  58.199  -0.531   1.624
   83    H1*    U   8           H1*        U   8  56.147   0.094  -0.099
   84    H3     U   8           H3         U   8  52.333   2.460   0.537
   85    H5     U   8           H5         U   8  51.177  -1.567   1.009
   86    H6     U   8           H6         U   8  53.523  -2.174   0.935
   87   1H5*    U   9          1H5*        U   9  59.204   0.190   3.393
   88   2H5*    U   9          2H5*        U   9  59.390   0.714   5.078
   89    H4*    U   9           H4*        U   9  59.236   2.539   3.229
   90    H3*    U   9           H3*        U   9  57.559   2.518   5.774
   91    H2*    U   9           H2*        U   9  56.743   4.654   5.128
   92   2HO*    U   9          2HO*        U   9  57.753   5.732   3.264
   93    H1*    U   9           H1*        U   9  56.520   4.094   2.423
   94    H3     U   9           H3         U   9  52.347   4.866   4.129
   95    H5     U   9           H5         U   9  53.245   0.871   5.145
   96    H6     U   9           H6         U   9  55.512   1.253   4.388
   97   1H5*    U  10          1H5*        U  10  60.467   5.952   6.602
   98   2H5*    U  10          2H5*        U  10  60.485   6.143   8.366
   99    H4*    U  10           H4*        U  10  59.475   8.080   7.020
  100    H3*    U  10           H3*        U  10  57.928   6.648   9.224
  101    H2*    U  10           H2*        U  10  56.239   8.284   8.948
  102   2HO*    U  10          2HO*        U  10  57.779   9.860   7.187
  103    H1*    U  10           H1*        U  10  56.498   8.528   6.170
  104    H3     U  10           H3         U  10  52.250   7.220   7.169
  105    H5     U  10           H5         U  10  54.565   3.712   7.495
  106    H6     U  10           H6         U  10  56.552   5.084   7.241
  107   1H5*    U  11          1H5*        U  11  57.806  11.103  10.127
  108   2H5*    U  11          2H5*        U  11  57.954  11.123  11.896
  109    H4*    U  11           H4*        U  11  55.913  12.318  10.965
  110    H3*    U  11           H3*        U  11  55.685  10.024  12.955
  111    H2*    U  11           H2*        U  11  53.347  10.369  12.983
  112   2HO*    U  11          2HO*        U  11  52.493  12.343  11.916
  113    H1*    U  11           H1*        U  11  53.033  11.010  10.319
  114    H3     U  11           H3         U  11  50.603   7.245  10.991
  115    H5     U  11           H5         U  11  54.604   5.928  10.993
  116    H6     U  11           H6         U  11  55.303   8.236  10.901
  117   1H5*    C  12          1H5*        C  12  53.609  13.552  15.178
  118   2H5*    C  12          2H5*        C  12  53.708  12.986  16.858
  119    H4*    C  12           H4*        C  12  51.352  13.274  15.808
  120    H3*    C  12           H3*        C  12  52.336  10.798  17.275
  121    H2*    C  12           H2*        C  12  50.217   9.815  16.990
  122   2HO*    C  12          2HO*        C  12  48.418  10.971  16.944
  123    H1*    C  12           H1*        C  12  49.694  10.783  14.442
  124   1H4     C  12          1H4         C  12  51.558   4.719  13.995
  125   2H4     C  12          2H4         C  12  53.225   5.203  14.145
  126    H5     C  12           H5         C  12  53.900   7.471  14.556
  127    H6     C  12           H6         C  12  53.126   9.734  14.944
  128   1H5*    U  13          1H5*        U  13  50.506   9.161  20.719
  129   2H5*    U  13          2H5*        U  13  51.136   8.864  19.086
  130    H4*    U  13           H4*        U  13  48.164   8.769  19.335
  131    H3*    U  13           H3*        U  13  50.000   6.833  20.804
  132    H2*    U  13           H2*        U  13  48.629   5.060  20.104
  133   2HO*    U  13          2HO*        U  13  46.652   7.069  20.093
  134    H1*    U  13           H1*        U  13  47.712   6.252  17.689
  135    H3     U  13           H3         U  13  49.253   1.885  17.307
  136    H5     U  13           H5         U  13  52.577   4.426  16.736
  137    H6     U  13           H6         U  13  51.217   6.271  17.479
  138   1H5*    C  14          1H5*        C  14  46.350   5.636  21.292
  139   2H5*    C  14          2H5*        C  14  45.810   5.523  22.978
  140    H4*    C  14           H4*        C  14  45.264   3.459  21.850
  141    H3*    C  14           H3*        C  14  47.448   3.430  23.928
  142    H2*    C  14           H2*        C  14  48.039   1.206  23.468
  143   2HO*    C  14          2HO*        C  14  46.597  -0.172  22.248
  144    H1*    C  14           H1*        C  14  47.667   1.169  20.749
  145   1H4     C  14          1H4         C  14  53.898   2.164  21.505
  146   2H4     C  14          2H4         C  14  53.597   3.834  21.932
  147    H5     C  14           H5         C  14  51.385   4.755  22.182
  148    H6     C  14           H6         C  14  48.985   4.268  22.086
  149   1H5*    G  15          1H5*        G  15  46.835   0.962  28.003
  150   2H5*    G  15          2H5*        G  15  47.684   2.057  26.893
  151    H4*    G  15           H4*        G  15  47.176  -0.792  26.059
  152    H3*    G  15           H3*        G  15  48.427  -0.491  28.458
  153    H2*    G  15           H2*        G  15  49.942   1.235  27.684
  154   2HO*    G  15          2HO*        G  15  51.457  -1.101  27.085
  155    H1*    G  15           H1*        G  15  50.557  -0.513  25.294
  156    H8     G  15           H8         G  15  52.337   0.801  24.043
  157    H1     G  15           H1         G  15  50.176   6.478  25.948
  158   1H2     G  15          1H2         G  15  48.413   6.215  27.260
  159   2H2     G  15          2H2         G  15  47.771   4.639  27.662
  160   1H5*    C  16          1H5*        C  16  46.504  -3.557  23.846
  161   2H5*    C  16          2H5*        C  16  48.031  -4.221  24.459
  162    H4*    C  16           H4*        C  16  47.620  -1.821  22.650
  163    H3*    C  16           H3*        C  16  48.420  -4.582  22.255
  164    H2*    C  16           H2*        C  16  50.711  -4.242  22.504
  165   2HO*    C  16          2HO*        C  16  50.397  -4.168  20.173
  166    H1*    C  16           H1*        C  16  50.494  -1.287  21.970
  167   1H4     C  16          1H4         C  16  56.112  -1.604  24.953
  168   2H4     C  16          2H4         C  16  55.486  -2.767  26.101
  169    H5     C  16           H5         C  16  53.234  -3.631  26.014
  170    H6     C  16           H6         C  16  51.105  -3.550  24.817
  171   1H5*    U  17          1H5*        U  17  47.092  -3.554  17.217
  172   2H5*    U  17          2H5*        U  17  48.447  -4.413  16.463
  173    H4*    U  17           H4*        U  17  48.028  -1.526  16.854
  174    H3*    U  17           H3*        U  17  49.412  -3.333  14.963
  175    H2*    U  17           H2*        U  17  51.526  -2.492  15.341
  176   2HO*    U  17          2HO*        U  17  51.185   0.145  15.132
  177    H1*    U  17           H1*        U  17  50.607  -0.178  16.979
  178    H3     U  17           H3         U  17  55.256  -0.478  16.978
  179    H5     U  17           H5         U  17  53.819  -3.247  19.802
  180    H6     U  17           H6         U  17  51.574  -2.883  18.917
  181   1H5*    G  18          1H5*        G  18  45.367  -2.361  13.955
  182   2H5*    G  18          2H5*        G  18  44.921  -1.807  12.328
  183    H4*    G  18           H4*        G  18  43.398  -0.873  14.017
  184    H3*    G  18           H3*        G  18  45.089   0.833  12.274
  185    H2*    G  18           H2*        G  18  45.031   2.776  13.573
  186   2HO*    G  18          2HO*        G  18  43.171   2.496  15.398
  187    H1*    G  18           H1*        G  18  44.891   1.793  16.118
  188    H8     G  18           H8         G  18  47.411  -0.446  15.055
  189    H1     G  18           H1         G  18  49.705   5.450  14.515
  190   1H2     G  18          1H2         G  18  48.051   6.933  14.616
  191   2H2     G  18          2H2         G  18  46.379   6.463  14.823
  192   1H5*    A  19          1H5*        A  19  41.633   3.202  12.659
  193   2H5*    A  19          2H5*        A  19  40.668   3.116  11.171
  194    H4*    A  19           H4*        A  19  40.704   5.416  11.602
  195    H3*    A  19           H3*        A  19  42.895   4.604   9.684
  196    H2*    A  19           H2*        A  19  43.751   6.828   9.637
  197   2HO*    A  19          2HO*        A  19  41.248   7.428  10.805
  198    H1*    A  19           H1*        A  19  43.862   7.189  12.266
  199    H8     A  19           H8         A  19  44.087   3.478  11.541
  200   1H6     A  19          1H6         A  19  50.160   4.216  10.932
  201   2H6     A  19          2H6         A  19  48.860   3.051  11.040
  202    H2     A  19           H2         A  19  48.284   8.285  11.215
  203   1H5*    C  20          1H5*        C  20  41.722   8.006   8.507
  204   2H5*    C  20          2H5*        C  20  41.874   8.421   6.790
  205    H4*    C  20           H4*        C  20  43.524   9.573   8.351
  206    H3*    C  20           H3*        C  20  44.489   7.836   6.041
  207    H2*    C  20           H2*        C  20  46.672   8.622   6.534
  208   2HO*    C  20          2HO*        C  20  46.066  10.466   8.480
  209    H1*    C  20           H1*        C  20  46.309   8.706   9.317
  210   1H4     C  20          1H4         C  20  50.081   3.797   7.819
  211   2H4     C  20          2H4         C  20  48.686   2.745   7.950
  212    H5     C  20           H5         C  20  46.431   3.577   8.238
  213    H6     C  20           H6         C  20  45.039   5.588   8.446
  214   1H5*    U  21          1H5*        U  21  46.108  11.441   4.964
  215   2H5*    U  21          2H5*        U  21  46.266  11.604   3.203
  216    H4*    U  21           H4*        U  21  48.445  11.280   4.523
  217    H3*    U  21           H3*        U  21  47.548   9.734   2.105
  218    H2*    U  21           H2*        U  21  49.019   8.008   2.471
  219   2HO*    U  21          2HO*        U  21  50.724  10.191   2.883
  220    H1*    U  21           H1*        U  21  49.967   8.852   5.114
  221    H3     U  21           H3         U  21  50.454   4.325   5.101
  222    H5     U  21           H5         U  21  46.297   4.988   5.210
  223    H6     U  21           H6         U  21  46.732   7.337   4.784
  224   1H5*    U  22          1H5*        U  22  52.008  10.962   1.161
  225   2H5*    U  22          2H5*        U  22  52.054  10.813  -0.606
  226    H4*    U  22           H4*        U  22  53.597   9.259   0.792
  227    H3*    U  22           H3*        U  22  51.748   8.354  -1.442
  228    H2*    U  22           H2*        U  22  52.451   6.152  -1.102
  229   2HO*    U  22          2HO*        U  22  54.710   7.051   0.378
  230    H1*    U  22           H1*        U  22  53.043   6.345   1.657
  231    H3     U  22           H3         U  22  50.273   2.787   1.242
  232    H5     U  22           H5         U  22  47.799   6.127   0.554
  233    H6     U  22           H6         U  22  49.794   7.504   0.576
  234   1H5*    U  23          1H5*        U  23  55.536   7.141  -2.301
  235   2H5*    U  23          2H5*        U  23  56.349   7.869  -3.702
  236    H4*    U  23           H4*        U  23  56.817   5.719  -4.280
  237    H3*    U  23           H3*        U  23  53.913   6.090  -5.050
  238    H2*    U  23           H2*        U  23  53.695   3.816  -5.485
  239   2HO*    U  23          2HO*        U  23  55.833   2.565  -5.689
  240    H1*    U  23           H1*        U  23  55.605   2.829  -3.675
  241    H3     U  23           H3         U  23  52.035   0.554  -2.208
  242    H5     U  23           H5         U  23  50.756   4.568  -1.971
  243    H6     U  23           H6         U  23  52.870   5.230  -2.974
  244   1H5*    C  24          1H5*        C  24  56.362   4.326  -8.607
  245   2H5*    C  24          2H5*        C  24  55.424   4.649 -10.078
  246    H4*    C  24           H4*        C  24  55.930   2.201  -9.649
  247    H3*    C  24           H3*        C  24  53.092   3.255  -9.923
  248    H2*    C  24           H2*        C  24  52.286   1.037  -9.715
  249   2HO*    C  24          2HO*        C  24  54.916  -0.027  -9.867
  250    H1*    C  24           H1*        C  24  54.098   0.167  -7.805
  251   1H4     C  24          1H4         C  24  48.710   1.546  -4.687
  252   2H4     C  24          2H4         C  24  49.010   3.256  -4.884
  253    H5     C  24           H5         C  24  50.855   4.139  -6.136
  254    H6     C  24           H6         C  24  52.832   3.584  -7.469
  255   1H5*    A  25          1H5*        A  25  54.126  -0.057 -12.111
  256   2H5*    A  25          2H5*        A  25  53.187  -0.542 -13.538
  257    H4*    A  25           H4*        A  25  53.180  -2.082 -11.416
  258    H3*    A  25           H3*        A  25  50.808  -1.245 -13.107
  259    H2*    A  25           H2*        A  25  49.332  -2.297 -11.649
  260   2HO*    A  25          2HO*        A  25  50.847  -3.903 -10.144
  261    H1*    A  25           H1*        A  25  50.948  -2.221  -9.297
  262    H8     A  25           H8         A  25  50.151   1.171 -10.557
  263   1H6     A  25          1H6         A  25  44.760   0.780  -7.586
  264   2H6     A  25          2H6         A  25  45.862   1.857  -8.414
  265    H2     A  25           H2         A  25  46.618  -3.305  -7.674
  266   1H5*    G  26          1H5*        G  26  51.818  -5.569 -12.055
  267   2H5*    G  26          2H5*        G  26  51.899  -6.435 -13.600
  268    H4*    G  26           H4*        G  26  51.133  -8.145 -12.263
  269    H3*    G  26           H3*        G  26  48.726  -6.623 -13.287
  270    H2*    G  26           H2*        G  26  47.275  -7.930 -11.929
  271   2HO*    G  26          2HO*        G  26  49.056  -9.614 -10.740
  272    H1*    G  26           H1*        G  26  48.702  -7.882  -9.662
  273    H8     G  26           H8         G  26  49.371  -4.629 -11.181
  274    H1     G  26           H1         G  26  43.458  -4.829  -8.883
  275   1H2     G  26          1H2         G  26  42.910  -6.923  -8.377
  276   2H2     G  26          2H2         G  26  44.009  -8.266  -8.606
  277   1H5*    C  27          1H5*        C  27  47.937 -10.453 -13.068
  278   2H5*    C  27          2H5*        C  27  47.446 -11.337 -14.527
  279    H4*    C  27           H4*        C  27  45.896 -11.951 -12.810
  280    H3*    C  27           H3*        C  27  44.827  -9.960 -14.833
  281    H2*    C  27           H2*        C  27  42.727  -9.933 -13.671
  282   2HO*    C  27          2HO*        C  27  42.080 -11.629 -12.577
  283    H1*    C  27           H1*        C  27  43.710  -9.627 -11.213
  284   1H4     C  27          1H4         C  27  43.433  -3.644 -13.321
  285   2H4     C  27          2H4         C  27  44.975  -3.844 -14.118
  286    H5     C  27           H5         C  27  46.133  -5.945 -14.232
  287    H6     C  27           H6         C  27  46.081  -8.303 -13.625
  288   1H5*    C  28          1H5*        C  28  42.207 -12.245 -14.293
  289   2H5*    C  28          2H5*        C  28  41.232 -13.134 -15.479
  290    H4*    C  28           H4*        C  28  39.670 -11.746 -14.379
  291    H3*    C  28           H3*        C  28  40.628 -10.449 -16.965
  292    H2*    C  28           H2*        C  28  39.046  -8.714 -16.565
  293   2HO*    C  28          2HO*        C  28  38.005 -10.210 -14.367
  294    H1*    C  28           H1*        C  28  39.530  -8.480 -13.862
  295   1H4     C  28          1H4         C  28  43.005  -4.011 -16.758
  296   2H4     C  28          2H4         C  28  44.293  -5.170 -17.004
  297    H5     C  28           H5         C  28  44.081  -7.517 -16.454
  298    H6     C  28           H6         C  28  42.598  -9.236 -15.598
  299   1H5*    C  29          1H5*        C  29  36.650 -11.015 -17.452
  300   2H5*    C  29          2H5*        C  29  36.052 -12.131 -18.696
  301    H4*    C  29           H4*        C  29  34.803 -10.255 -19.219
  302    H3*    C  29           H3*        C  29  37.446 -10.010 -20.709
  303    H2*    C  29           H2*        C  29  36.668  -7.963 -21.614
  304   2HO*    C  29          2HO*        C  29  34.471  -7.352 -21.476
  305    H1*    C  29           H1*        C  29  35.436  -7.015 -19.353
  306   1H4     C  29          1H4         C  29  41.046  -4.069 -19.466
  307   2H4     C  29          2H4         C  29  41.910  -5.583 -19.328
  308    H5     C  29           H5         C  29  40.813  -7.723 -19.254
  309    H6     C  29           H6         C  29  38.653  -8.881 -19.284
  310   1H5*    C  30          1H5*        C  30  33.974  -8.700 -23.021
  311   2H5*    C  30          2H5*        C  30  34.429  -8.599 -24.733
  312    H4*    C  30           H4*        C  30  33.927  -6.389 -23.462
  313    H3*    C  30           H3*        C  30  36.457  -6.865 -25.070
  314    H2*    C  30           H2*        C  30  36.984  -4.607 -24.730
  315   2HO*    C  30          2HO*        C  30  34.584  -4.082 -25.189
  316    H1*    C  30           H1*        C  30  35.909  -4.457 -22.136
  317   1H4     C  30          1H4         C  30  42.232  -4.413 -21.530
  318   2H4     C  30          2H4         C  30  42.326  -6.087 -22.029
  319    H5     C  30           H5         C  30  40.401  -7.363 -22.738
  320    H6     C  30           H6         C  30  37.995  -7.306 -23.126
  321    H3T    C  30           H3T        C  30  34.809  -6.843 -26.469
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  41.134   3.600 -23.254
    2   2H5*    G   1          2H5*        G   1  40.778   4.846 -22.041
    3    H4*    G   1           H4*        G   1  38.661   4.112 -22.837
    4    H3*    G   1           H3*        G   1  39.478   3.091 -20.124
    5    H2*    G   1           H2*        G   1  37.630   1.592 -19.985
    6   2HO*    G   1          2HO*        G   1  35.765   2.130 -20.841
    7    H1*    G   1           H1*        G   1  37.627   0.638 -22.512
    8    H8     G   1           H8         G   1  41.177   1.368 -21.328
    9    H1     G   1           H1         G   1  39.017  -4.356 -19.531
   10   1H2     G   1          1H2         G   1  36.850  -4.521 -19.975
   11   2H2     G   1          2H2         G   1  35.939  -3.224 -20.715
   12    H5T    G   1           H5T        G   1  42.374   3.085 -21.549
   13   1H5*    G   2          1H5*        G   2  36.363   3.489 -19.140
   14   2H5*    G   2          2H5*        G   2  35.731   4.702 -18.007
   15    H4*    G   2           H4*        G   2  35.309   2.841 -16.740
   16    H3*    G   2           H3*        G   2  38.189   3.604 -16.235
   17    H2*    G   2           H2*        G   2  38.626   1.578 -15.214
   18   2HO*    G   2          2HO*        G   2  36.043   0.958 -14.404
   19    H1*    G   2           H1*        G   2  36.263   0.161 -16.151
   20    H8     G   2           H8         G   2  39.210   1.038 -18.350
   21    H1     G   2           H1         G   2  39.877  -4.562 -15.381
   22   1H2     G   2          1H2         G   2  38.180  -4.877 -13.985
   23   2H2     G   2          2H2         G   2  36.895  -3.707 -13.788
   24   1H5*    G   3          1H5*        G   3  35.269   3.621 -12.436
   25   2H5*    G   3          2H5*        G   3  36.105   4.214 -10.987
   26    H4*    G   3           H4*        G   3  34.992   1.917 -10.797
   27    H3*    G   3           H3*        G   3  37.884   2.506 -10.110
   28    H2*    G   3           H2*        G   3  38.284   0.249  -9.636
   29   2HO*    G   3          2HO*        G   3  35.449  -0.076  -9.502
   30    H1*    G   3           H1*        G   3  36.662  -0.916 -11.527
   31    H8     G   3           H8         G   3  38.707   1.831 -13.037
   32    H1     G   3           H1         G   3  42.014  -3.562 -12.279
   33   1H2     G   3          1H2         G   3  40.880  -4.977 -11.005
   34   2H2     G   3          2H2         G   3  39.308  -4.588 -10.343
   35   1H5*    C   4          1H5*        C   4  35.948  -0.149  -7.664
   36   2H5*    C   4          2H5*        C   4  35.819   0.373  -5.972
   37    H4*    C   4           H4*        C   4  36.335  -1.939  -5.855
   38    H3*    C   4           H3*        C   4  38.760  -0.158  -5.447
   39    H2*    C   4           H2*        C   4  40.107  -2.097  -5.143
   40   2HO*    C   4          2HO*        C   4  39.222  -4.138  -4.812
   41    H1*    C   4           H1*        C   4  39.131  -3.532  -7.215
   42   1H4     C   4          1H4         C   4  43.994  -0.214  -9.646
   43   2H4     C   4          2H4         C   4  43.018   1.226  -9.669
   44    H5     C   4           H5         C   4  40.820   1.339  -8.788
   45    H6     C   4           H6         C   4  39.015   0.115  -7.689
   46   1H5*    U   5          1H5*        U   5  38.748  -3.000  -1.995
   47   2H5*    U   5          2H5*        U   5  39.960  -2.383  -0.854
   48    H4*    U   5           H4*        U   5  40.471  -4.550  -2.253
   49    H3*    U   5           H3*        U   5  42.339  -2.201  -1.760
   50    H2*    U   5           H2*        U   5  44.031  -3.398  -2.944
   51   2HO*    U   5          2HO*        U   5  42.594  -5.676  -3.518
   52    H1*    U   5           H1*        U   5  42.452  -4.248  -4.996
   53    H3     U   5           H3         U   5  45.100  -1.020  -6.768
   54    H5     U   5           H5         U   5  42.127   1.092  -4.697
   55    H6     U   5           H6         U   5  41.357  -1.006  -3.770
   56   1H5*    G   6          1H5*        G   6  44.024  -5.663  -1.286
   57   2H5*    G   6          2H5*        G   6  45.340  -5.943  -0.129
   58    H4*    G   6           H4*        G   6  46.010  -6.280  -2.527
   59    H3*    G   6           H3*        G   6  47.353  -4.130  -0.837
   60    H2*    G   6           H2*        G   6  48.831  -3.753  -2.657
   61   2HO*    G   6          2HO*        G   6  47.853  -5.864  -4.219
   62    H1*    G   6           H1*        G   6  46.958  -4.017  -4.666
   63    H8     G   6           H8         G   6  45.281  -1.860  -2.201
   64    H1     G   6           H1         G   6  50.197   1.186  -4.843
   65   1H2     G   6          1H2         G   6  51.429  -0.236  -6.018
   66   2H2     G   6          2H2         G   6  51.062  -1.942  -6.117
   67   1H5*    U   7          1H5*        U   7  50.008  -5.889  -2.261
   68   2H5*    U   7          2H5*        U   7  51.143  -7.013  -1.487
   69    H4*    U   7           H4*        U   7  52.742  -5.720  -2.460
   70    H3*    U   7           H3*        U   7  51.846  -4.071  -0.070
   71    H2*    U   7           H2*        U   7  53.232  -2.304  -0.792
   72   2HO*    U   7          2HO*        U   7  54.662  -2.814  -2.733
   73    H1*    U   7           H1*        U   7  52.745  -2.491  -3.466
   74    H3     U   7           H3         U   7  50.716   1.377  -2.438
   75    H5     U   7           H5         U   7  48.521  -1.448  -0.275
   76    H6     U   7           H6         U   7  50.070  -3.156  -1.011
   77   1H5*    U   8          1H5*        U   8  56.679  -4.360   0.011
   78   2H5*    U   8          2H5*        U   8  56.921  -4.351   1.769
   79    H4*    U   8           H4*        U   8  58.315  -2.654   0.548
   80    H3*    U   8           H3*        U   8  56.262  -1.773   2.617
   81    H2*    U   8           H2*        U   8  57.033   0.469   2.319
   82   2HO*    U   8          2HO*        U   8  58.905   0.921   1.081
   83    H1*    U   8           H1*        U   8  57.076   0.422  -0.394
   84    H3     U   8           H3         U   8  53.443   2.837   0.855
   85    H5     U   8           H5         U   8  52.234  -1.185   1.204
   86    H6     U   8           H6         U   8  54.538  -1.836   0.804
   87   1H5*    U   9          1H5*        U   9  59.668   0.700   2.865
   88   2H5*    U   9          2H5*        U   9  59.906   1.153   4.564
   89    H4*    U   9           H4*        U   9  59.372   3.034   2.854
   90    H3*    U   9           H3*        U   9  57.869   2.651   5.477
   91    H2*    U   9           H2*        U   9  56.736   4.667   5.003
   92   2HO*    U   9          2HO*        U   9  59.039   5.454   4.124
   93    H1*    U   9           H1*        U   9  56.630   4.317   2.215
   94    H3     U   9           H3         U   9  52.434   4.842   4.052
   95    H5     U   9           H5         U   9  53.392   0.752   4.429
   96    H6     U   9           H6         U   9  55.648   1.281   3.758
   97   1H5*    U  10          1H5*        U  10  60.584   6.340   6.751
   98   2H5*    U  10          2H5*        U  10  60.351   6.260   8.509
   99    H4*    U  10           H4*        U  10  59.371   8.293   7.158
  100    H3*    U  10           H3*        U  10  57.879   6.689   9.278
  101    H2*    U  10           H2*        U  10  56.110   8.230   9.034
  102   2HO*    U  10          2HO*        U  10  56.521  10.245   7.811
  103    H1*    U  10           H1*        U  10  56.448   8.680   6.280
  104    H3     U  10           H3         U  10  52.186   7.266   7.161
  105    H5     U  10           H5         U  10  54.541   3.772   7.264
  106    H6     U  10           H6         U  10  56.514   5.177   7.102
  107   1H5*    U  11          1H5*        U  11  57.216  10.990   9.990
  108   2H5*    U  11          2H5*        U  11  57.449  11.179  11.739
  109    H4*    U  11           H4*        U  11  55.260  12.086  10.942
  110    H3*    U  11           H3*        U  11  55.292   9.753  12.892
  111    H2*    U  11           H2*        U  11  52.932   9.912  12.987
  112   2HO*    U  11          2HO*        U  11  51.913  11.830  11.926
  113    H1*    U  11           H1*        U  11  52.504  10.540  10.329
  114    H3     U  11           H3         U  11  50.454   6.552  11.086
  115    H5     U  11           H5         U  11  54.560   5.626  10.917
  116    H6     U  11           H6         U  11  55.021   7.987  10.794
  117   1H5*    C  12          1H5*        C  12  52.868  13.024  14.813
  118   2H5*    C  12          2H5*        C  12  53.152  12.854  16.558
  119    H4*    C  12           H4*        C  12  50.732  12.681  15.926
  120    H3*    C  12           H3*        C  12  52.140  10.290  17.186
  121    H2*    C  12           H2*        C  12  50.036   9.200  17.257
  122   2HO*    C  12          2HO*        C  12  48.352  10.381  17.751
  123    H1*    C  12           H1*        C  12  49.120  10.105  14.798
  124   1H4     C  12          1H4         C  12  51.177   4.131  14.117
  125   2H4     C  12          2H4         C  12  52.833   4.670  14.105
  126    H5     C  12           H5         C  12  53.471   6.955  14.446
  127    H6     C  12           H6         C  12  52.661   9.204  14.903
  128   1H5*    U  13          1H5*        U  13  50.710   8.396  20.764
  129   2H5*    U  13          2H5*        U  13  51.161   8.366  19.046
  130    H4*    U  13           H4*        U  13  48.248   8.250  19.414
  131    H3*    U  13           H3*        U  13  50.014   6.215  20.835
  132    H2*    U  13           H2*        U  13  48.589   4.510  20.086
  133   2HO*    U  13          2HO*        U  13  46.403   4.972  19.462
  134    H1*    U  13           H1*        U  13  47.702   5.809  17.711
  135    H3     U  13           H3         U  13  49.086   1.382  17.246
  136    H5     U  13           H5         U  13  52.446   3.840  16.547
  137    H6     U  13           H6         U  13  51.172   5.710  17.391
  138   1H5*    C  14          1H5*        C  14  46.288   5.213  21.262
  139   2H5*    C  14          2H5*        C  14  45.705   5.084  22.933
  140    H4*    C  14           H4*        C  14  45.028   3.089  21.780
  141    H3*    C  14           H3*        C  14  47.359   2.763  23.698
  142    H2*    C  14           H2*        C  14  47.500   0.468  23.165
  143   2HO*    C  14          2HO*        C  14  45.567  -0.436  23.143
  144    H1*    C  14           H1*        C  14  46.965   0.662  20.464
  145   1H4     C  14          1H4         C  14  53.292   0.288  21.033
  146   2H4     C  14          2H4         C  14  53.364   1.951  21.572
  147    H5     C  14           H5         C  14  51.399   3.305  21.950
  148    H6     C  14           H6         C  14  48.950   3.345  21.875
  149   1H5*    G  15          1H5*        G  15  46.478  -0.172  27.653
  150   2H5*    G  15          2H5*        G  15  47.532   0.982  26.809
  151    H4*    G  15           H4*        G  15  46.751  -1.674  25.575
  152    H3*    G  15           H3*        G  15  48.148  -1.683  27.922
  153    H2*    G  15           H2*        G  15  49.743  -0.003  27.204
  154   2HO*    G  15          2HO*        G  15  51.192  -2.192  26.213
  155    H1*    G  15           H1*        G  15  50.052  -1.578  24.635
  156    H8     G  15           H8         G  15  51.948  -0.352  23.459
  157    H1     G  15           H1         G  15  50.373   5.334  25.857
  158   1H2     G  15          1H2         G  15  48.610   5.126  27.186
  159   2H2     G  15          2H2         G  15  47.830   3.589  27.472
  160   1H5*    C  16          1H5*        C  16  46.004  -4.471  23.080
  161   2H5*    C  16          2H5*        C  16  47.440  -5.267  23.753
  162    H4*    C  16           H4*        C  16  47.295  -2.896  21.875
  163    H3*    C  16           H3*        C  16  47.996  -5.718  21.646
  164    H2*    C  16           H2*        C  16  50.292  -5.448  21.876
  165   2HO*    C  16          2HO*        C  16  50.015  -5.372  19.544
  166    H1*    C  16           H1*        C  16  50.203  -2.496  21.335
  167   1H4     C  16          1H4         C  16  55.708  -3.077  24.474
  168   2H4     C  16          2H4         C  16  55.018  -4.261  25.562
  169    H5     C  16           H5         C  16  52.736  -5.042  25.395
  170    H6     C  16           H6         C  16  50.638  -4.833  24.163
  171   1H5*    U  17          1H5*        U  17  47.036  -4.602  16.542
  172   2H5*    U  17          2H5*        U  17  48.482  -5.297  15.784
  173    H4*    U  17           H4*        U  17  47.872  -2.492  16.491
  174    H3*    U  17           H3*        U  17  49.344  -3.987  14.408
  175    H2*    U  17           H2*        U  17  51.411  -3.084  14.873
  176   2HO*    U  17          2HO*        U  17  50.922  -0.461  15.034
  177    H1*    U  17           H1*        U  17  50.441  -1.065  16.822
  178    H3     U  17           H3         U  17  55.106  -1.360  16.685
  179    H5     U  17           H5         U  17  53.694  -4.366  19.268
  180    H6     U  17           H6         U  17  51.441  -3.932  18.425
  181   1H5*    G  18          1H5*        G  18  45.123  -3.027  13.447
  182   2H5*    G  18          2H5*        G  18  44.742  -2.213  11.916
  183    H4*    G  18           H4*        G  18  43.177  -1.565  13.727
  184    H3*    G  18           H3*        G  18  44.876   0.390  12.251
  185    H2*    G  18           H2*        G  18  44.654   2.158  13.786
  186   2HO*    G  18          2HO*        G  18  42.191   1.138  14.024
  187    H1*    G  18           H1*        G  18  44.671   0.830  16.153
  188    H8     G  18           H8         G  18  47.201  -1.209  14.856
  189    H1     G  18           H1         G  18  49.322   4.773  14.567
  190   1H2     G  18          1H2         G  18  47.634   6.201  14.810
  191   2H2     G  18          2H2         G  18  45.983   5.675  15.051
  192   1H5*    A  19          1H5*        A  19  41.719   2.407  12.483
  193   2H5*    A  19          2H5*        A  19  40.436   2.413  11.257
  194    H4*    A  19           H4*        A  19  40.634   4.680  11.498
  195    H3*    A  19           H3*        A  19  42.810   3.851   9.555
  196    H2*    A  19           H2*        A  19  43.572   6.113   9.468
  197   2HO*    A  19          2HO*        A  19  42.395   7.779  10.557
  198    H1*    A  19           H1*        A  19  43.649   6.498  12.120
  199    H8     A  19           H8         A  19  44.219   2.835  11.340
  200   1H6     A  19          1H6         A  19  50.203   4.162  10.854
  201   2H6     A  19          2H6         A  19  49.021   2.874  10.923
  202    H2     A  19           H2         A  19  47.933   8.022  11.156
  203   1H5*    C  20          1H5*        C  20  41.439   7.365   8.058
  204   2H5*    C  20          2H5*        C  20  41.807   7.507   6.328
  205    H4*    C  20           H4*        C  20  43.189   8.913   8.055
  206    H3*    C  20           H3*        C  20  44.382   7.254   5.795
  207    H2*    C  20           H2*        C  20  46.474   8.217   6.371
  208   2HO*    C  20          2HO*        C  20  46.620  10.088   7.649
  209    H1*    C  20           H1*        C  20  46.000   8.263   9.135
  210   1H4     C  20          1H4         C  20  50.179   3.659   7.775
  211   2H4     C  20          2H4         C  20  48.864   2.508   7.885
  212    H5     C  20           H5         C  20  46.551   3.169   8.110
  213    H6     C  20           H6         C  20  45.002   5.066   8.258
  214   1H5*    U  21          1H5*        U  21  45.807  11.025   4.453
  215   2H5*    U  21          2H5*        U  21  45.981  10.905   2.689
  216    H4*    U  21           H4*        U  21  48.144  10.911   4.141
  217    H3*    U  21           H3*        U  21  47.439   9.059   1.864
  218    H2*    U  21           H2*        U  21  49.122   7.586   2.378
  219   2HO*    U  21          2HO*        U  21  51.188   8.312   2.920
  220    H1*    U  21           H1*        U  21  49.779   8.620   5.024
  221    H3     U  21           H3         U  21  50.569   4.125   4.976
  222    H5     U  21           H5         U  21  46.376   4.524   5.047
  223    H6     U  21           H6         U  21  46.672   6.905   4.659
  224   1H5*    U  22          1H5*        U  22  51.724  11.181   0.776
  225   2H5*    U  22          2H5*        U  22  51.797  10.872  -0.970
  226    H4*    U  22           H4*        U  22  53.772  10.037   0.468
  227    H3*    U  22           H3*        U  22  52.232   8.347  -1.531
  228    H2*    U  22           H2*        U  22  53.688   6.524  -1.057
  229   2HO*    U  22          2HO*        U  22  55.478   7.205   0.617
  230    H1*    U  22           H1*        U  22  53.788   6.842   1.655
  231    H3     U  22           H3         U  22  51.350   3.093   0.609
  232    H5     U  22           H5         U  22  48.625   6.295   0.594
  233    H6     U  22           H6         U  22  50.520   7.792   0.746
  234   1H5*    U  23          1H5*        U  23  56.570   8.034  -2.766
  235   2H5*    U  23          2H5*        U  23  56.564   8.669  -4.425
  236    H4*    U  23           H4*        U  23  57.834   6.661  -4.529
  237    H3*    U  23           H3*        U  23  54.994   6.398  -5.538
  238    H2*    U  23           H2*        U  23  55.266   4.080  -5.875
  239   2HO*    U  23          2HO*        U  23  57.748   4.794  -6.469
  240    H1*    U  23           H1*        U  23  56.738   3.468  -3.683
  241    H3     U  23           H3         U  23  52.805   1.518  -2.692
  242    H5     U  23           H5         U  23  51.942   5.638  -2.453
  243    H6     U  23           H6         U  23  54.178   6.087  -3.283
  244   1H5*    C  24          1H5*        C  24  57.423   4.582  -9.049
  245   2H5*    C  24          2H5*        C  24  56.373   4.999 -10.419
  246    H4*    C  24           H4*        C  24  56.754   2.508 -10.045
  247    H3*    C  24           H3*        C  24  54.003   3.789 -10.143
  248    H2*    C  24           H2*        C  24  53.009   1.662  -9.845
  249   2HO*    C  24          2HO*        C  24  54.741  -0.190  -9.814
  250    H1*    C  24           H1*        C  24  54.786   0.667  -7.998
  251   1H4     C  24          1H4         C  24  49.786   2.902  -4.736
  252   2H4     C  24          2H4         C  24  50.355   4.541  -4.951
  253    H5     C  24           H5         C  24  52.280   5.109  -6.273
  254    H6     C  24           H6         C  24  54.088   4.229  -7.675
  255   1H5*    A  25          1H5*        A  25  54.555   0.318 -12.267
  256   2H5*    A  25          2H5*        A  25  53.501  -0.073 -13.641
  257    H4*    A  25           H4*        A  25  53.455  -1.595 -11.498
  258    H3*    A  25           H3*        A  25  51.122  -0.571 -13.125
  259    H2*    A  25           H2*        A  25  49.580  -1.408 -11.611
  260   2HO*    A  25          2HO*        A  25  50.563  -3.131 -10.043
  261    H1*    A  25           H1*        A  25  51.195  -1.406  -9.283
  262    H8     A  25           H8         A  25  50.914   2.007 -10.631
  263   1H6     A  25          1H6         A  25  45.449   2.439  -7.796
  264   2H6     A  25          2H6         A  25  46.717   3.341  -8.598
  265    H2     A  25           H2         A  25  46.687  -1.876  -7.847
  266   1H5*    G  26          1H5*        G  26  51.794  -5.622 -13.083
  267   2H5*    G  26          2H5*        G  26  50.480  -6.178 -14.137
  268    H4*    G  26           H4*        G  26  50.788  -7.367 -11.857
  269    H3*    G  26           H3*        G  26  48.181  -6.299 -12.977
  270    H2*    G  26           H2*        G  26  47.038  -7.045 -11.021
  271   2HO*    G  26          2HO*        G  26  48.684  -8.192  -9.430
  272    H1*    G  26           H1*        G  26  48.826  -6.176  -9.196
  273    H8     G  26           H8         G  26  49.085  -3.526 -11.616
  274    H1     G  26           H1         G  26  43.364  -3.296  -8.905
  275   1H2     G  26          1H2         G  26  42.956  -5.178  -7.802
  276   2H2     G  26          2H2         G  26  44.105  -6.497  -7.735
  277   1H5*    C  27          1H5*        C  27  47.637  -9.663 -11.584
  278   2H5*    C  27          2H5*        C  27  47.209 -11.160 -12.438
  279    H4*    C  27           H4*        C  27  45.699 -11.158 -10.653
  280    H3*    C  27           H3*        C  27  44.468  -9.932 -13.131
  281    H2*    C  27           H2*        C  27  42.464  -9.439 -11.917
  282   2HO*    C  27          2HO*        C  27  41.959 -10.412 -10.019
  283    H1*    C  27           H1*        C  27  43.607  -8.411  -9.736
  284   1H4     C  27          1H4         C  27  43.172  -3.366 -13.568
  285   2H4     C  27          2H4         C  27  44.670  -3.820 -14.345
  286    H5     C  27           H5         C  27  45.830  -5.868 -13.871
  287    H6     C  27           H6         C  27  45.833  -7.918 -12.560
  288   1H5*    C  28          1H5*        C  28  41.733 -12.309 -11.913
  289   2H5*    C  28          2H5*        C  28  40.756 -13.245 -13.061
  290    H4*    C  28           H4*        C  28  39.346 -11.547 -12.058
  291    H3*    C  28           H3*        C  28  40.178 -10.984 -14.936
  292    H2*    C  28           H2*        C  28  38.695  -9.119 -14.884
  293   2HO*    C  28          2HO*        C  28  37.696 -10.301 -12.480
  294    H1*    C  28           H1*        C  28  39.374  -8.268 -12.353
  295   1H4     C  28          1H4         C  28  42.672  -4.879 -16.640
  296   2H4     C  28          2H4         C  28  43.930  -6.095 -16.627
  297    H5     C  28           H5         C  28  43.746  -8.169 -15.403
  298    H6     C  28           H6         C  28  42.329  -9.524 -13.974
  299   1H5*    C  29          1H5*        C  29  36.157 -10.738 -15.308
  300   2H5*    C  29          2H5*        C  29  35.526 -12.252 -15.987
  301    H4*    C  29           H4*        C  29  34.318 -10.792 -17.280
  302    H3*    C  29           H3*        C  29  37.016 -11.099 -18.637
  303    H2*    C  29           H2*        C  29  36.389  -9.485 -20.242
  304   2HO*    C  29          2HO*        C  29  33.920 -10.472 -19.723
  305    H1*    C  29           H1*        C  29  35.033  -7.772 -18.587
  306   1H4     C  29          1H4         C  29  40.737  -5.069 -19.077
  307   2H4     C  29          2H4         C  29  41.524  -6.462 -18.371
  308    H5     C  29           H5         C  29  40.344  -8.455 -17.734
  309    H6     C  29           H6         C  29  38.157  -9.549 -17.608
  310   1H5*    C  30          1H5*        C  30  33.717 -10.632 -21.536
  311   2H5*    C  30          2H5*        C  30  34.325 -11.163 -23.116
  312    H4*    C  30           H4*        C  30  33.830  -8.635 -22.776
  313    H3*    C  30           H3*        C  30  36.462  -9.704 -23.847
  314    H2*    C  30           H2*        C  30  37.075  -7.482 -24.288
  315   2HO*    C  30          2HO*        C  30  34.692  -7.140 -25.069
  316    H1*    C  30           H1*        C  30  35.822  -6.391 -22.024
  317   1H4     C  30          1H4         C  30  42.061  -6.367 -20.824
  318   2H4     C  30          2H4         C  30  42.092  -8.115 -20.758
  319    H5     C  30           H5         C  30  40.160  -9.486 -21.210
  320    H6     C  30           H6         C  30  37.798  -9.481 -21.824
  321    H3T    C  30           H3T        C  30  34.953  -8.481 -25.640
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  42.086   3.408 -23.011
    2   2H5*    G   1          2H5*        G   1  41.540   4.478 -21.704
    3    H4*    G   1           H4*        G   1  39.603   3.789 -22.975
    4    H3*    G   1           H3*        G   1  39.961   2.755 -20.180
    5    H2*    G   1           H2*        G   1  38.181   1.182 -20.353
    6   2HO*    G   1          2HO*        G   1  37.359   2.156 -22.879
    7    H1*    G   1           H1*        G   1  38.617   0.249 -22.843
    8    H8     G   1           H8         G   1  41.921   1.137 -21.185
    9    H1     G   1           H1         G   1  39.787  -4.662 -19.611
   10   1H2     G   1          1H2         G   1  37.701  -4.926 -20.338
   11   2H2     G   1          2H2         G   1  36.845  -3.675 -21.214
   12    H5T    G   1           H5T        G   1  42.911   3.066 -20.768
   13   1H5*    G   2          1H5*        G   2  36.734   2.979 -19.672
   14   2H5*    G   2          2H5*        G   2  35.886   4.182 -18.678
   15    H4*    G   2           H4*        G   2  35.356   2.330 -17.437
   16    H3*    G   2           H3*        G   2  38.068   3.284 -16.537
   17    H2*    G   2           H2*        G   2  38.559   1.296 -15.484
   18   2HO*    G   2          2HO*        G   2  36.449   1.870 -14.220
   19    H1*    G   2           H1*        G   2  36.448  -0.329 -16.639
   20    H8     G   2           H8         G   2  39.527   0.796 -18.530
   21    H1     G   2           H1         G   2  40.381  -4.661 -15.348
   22   1H2     G   2          1H2         G   2  38.581  -5.103 -14.125
   23   2H2     G   2          2H2         G   2  37.184  -4.052 -14.097
   24   1H5*    G   3          1H5*        G   3  34.733   2.983 -13.039
   25   2H5*    G   3          2H5*        G   3  35.419   3.654 -11.546
   26    H4*    G   3           H4*        G   3  34.497   1.260 -11.419
   27    H3*    G   3           H3*        G   3  37.259   2.125 -10.517
   28    H2*    G   3           H2*        G   3  37.828  -0.080  -9.980
   29   2HO*    G   3          2HO*        G   3  35.305  -1.203 -10.322
   30    H1*    G   3           H1*        G   3  36.503  -1.398 -11.988
   31    H8     G   3           H8         G   3  38.373   1.553 -13.344
   32    H1     G   3           H1         G   3  42.109  -3.507 -12.309
   33   1H2     G   3          1H2         G   3  41.019  -5.016 -11.103
   34   2H2     G   3          2H2         G   3  39.374  -4.773 -10.560
   35   1H5*    C   4          1H5*        C   4  35.469  -0.609  -8.259
   36   2H5*    C   4          2H5*        C   4  35.052  -0.158  -6.594
   37    H4*    C   4           H4*        C   4  35.812  -2.369  -6.370
   38    H3*    C   4           H3*        C   4  38.044  -0.384  -5.817
   39    H2*    C   4           H2*        C   4  39.516  -2.203  -5.382
   40   2HO*    C   4          2HO*        C   4  37.143  -3.792  -5.362
   41    H1*    C   4           H1*        C   4  38.800  -3.748  -7.490
   42   1H4     C   4          1H4         C   4  43.575  -0.146  -9.667
   43   2H4     C   4          2H4         C   4  42.515   1.232  -9.757
   44    H5     C   4           H5         C   4  40.266   1.213  -9.007
   45    H6     C   4           H6         C   4  38.480  -0.118  -8.004
   46   1H5*    U   5          1H5*        U   5  38.133  -3.270  -2.302
   47   2H5*    U   5          2H5*        U   5  39.252  -2.472  -1.179
   48    H4*    U   5           H4*        U   5  39.991  -4.657  -2.465
   49    H3*    U   5           H3*        U   5  41.629  -2.131  -2.015
   50    H2*    U   5           H2*        U   5  43.469  -3.255  -3.056
   51   2HO*    U   5          2HO*        U   5  43.607  -5.331  -2.644
   52    H1*    U   5           H1*        U   5  42.063  -4.248  -5.151
   53    H3     U   5           H3         U   5  44.439  -0.821  -6.912
   54    H5     U   5           H5         U   5  41.320   1.062  -4.830
   55    H6     U   5           H6         U   5  40.684  -1.095  -3.938
   56   1H5*    G   6          1H5*        G   6  43.779  -5.542  -0.790
   57   2H5*    G   6          2H5*        G   6  45.148  -5.196   0.284
   58    H4*    G   6           H4*        G   6  45.620  -6.009  -2.155
   59    H3*    G   6           H3*        G   6  46.954  -3.687  -0.720
   60    H2*    G   6           H2*        G   6  48.343  -3.378  -2.626
   61   2HO*    G   6          2HO*        G   6  48.174  -5.016  -4.384
   62    H1*    G   6           H1*        G   6  46.412  -3.760  -4.529
   63    H8     G   6           H8         G   6  44.584  -1.697  -2.150
   64    H1     G   6           H1         G   6  49.403   1.646  -4.619
   65   1H2     G   6          1H2         G   6  50.783   0.295  -5.719
   66   2H2     G   6          2H2         G   6  50.531  -1.433  -5.813
   67   1H5*    U   7          1H5*        U   7  49.593  -5.404  -2.104
   68   2H5*    U   7          2H5*        U   7  50.770  -6.489  -1.339
   69    H4*    U   7           H4*        U   7  52.314  -5.217  -2.417
   70    H3*    U   7           H3*        U   7  51.502  -3.507  -0.043
   71    H2*    U   7           H2*        U   7  52.819  -1.730  -0.887
   72   2HO*    U   7          2HO*        U   7  54.348  -2.032  -2.535
   73    H1*    U   7           H1*        U   7  52.134  -1.933  -3.490
   74    H3     U   7           H3         U   7  49.926   1.786  -2.212
   75    H5     U   7           H5         U   7  47.966  -1.269  -0.139
   76    H6     U   7           H6         U   7  49.613  -2.836  -0.968
   77   1H5*    U   8          1H5*        U   8  56.309  -3.592  -0.192
   78   2H5*    U   8          2H5*        U   8  56.638  -3.583   1.551
   79    H4*    U   8           H4*        U   8  57.883  -1.809   0.286
   80    H3*    U   8           H3*        U   8  55.872  -1.040   2.440
   81    H2*    U   8           H2*        U   8  56.559   1.237   2.137
   82   2HO*    U   8          2HO*        U   8  58.570   0.217   0.370
   83    H1*    U   8           H1*        U   8  56.383   1.218  -0.557
   84    H3     U   8           H3         U   8  52.671   3.298   1.058
   85    H5     U   8           H5         U   8  51.790  -0.814   1.273
   86    H6     U   8           H6         U   8  54.103  -1.267   0.704
   87   1H5*    U   9          1H5*        U   9  59.146   1.187   2.887
   88   2H5*    U   9          2H5*        U   9  59.428   1.786   4.533
   89    H4*    U   9           H4*        U   9  58.776   3.516   2.730
   90    H3*    U   9           H3*        U   9  57.292   3.241   5.379
   91    H2*    U   9           H2*        U   9  56.123   5.217   4.774
   92   2HO*    U   9          2HO*        U   9  57.976   5.590   2.632
   93    H1*    U   9           H1*        U   9  55.939   4.622   2.048
   94    H3     U   9           H3         U   9  51.811   5.080   4.118
   95    H5     U   9           H5         U   9  52.922   1.022   4.446
   96    H6     U   9           H6         U   9  55.131   1.625   3.694
   97   1H5*    U  10          1H5*        U  10  59.809   7.085   6.380
   98   2H5*    U  10          2H5*        U  10  59.637   7.113   8.146
   99    H4*    U  10           H4*        U  10  58.479   8.975   6.686
  100    H3*    U  10           H3*        U  10  57.212   7.448   8.998
  101    H2*    U  10           H2*        U  10  55.291   8.791   8.720
  102   2HO*    U  10          2HO*        U  10  55.714  10.852   8.494
  103    H1*    U  10           H1*        U  10  55.449   9.041   5.929
  104    H3     U  10           H3         U  10  51.424   7.252   7.202
  105    H5     U  10           H5         U  10  54.135   4.026   7.194
  106    H6     U  10           H6         U  10  55.934   5.626   6.880
  107   1H5*    U  11          1H5*        U  11  56.563  11.581   9.876
  108   2H5*    U  11          2H5*        U  11  56.970  11.868  11.580
  109    H4*    U  11           H4*        U  11  54.685  12.633  11.125
  110    H3*    U  11           H3*        U  11  54.965  10.139  12.845
  111    H2*    U  11           H2*        U  11  52.624  10.168  13.127
  112   2HO*    U  11          2HO*        U  11  51.388  12.066  12.581
  113    H1*    U  11           H1*        U  11  51.961  11.098  10.594
  114    H3     U  11           H3         U  11  49.942   7.064  11.109
  115    H5     U  11           H5         U  11  54.023   6.133  10.650
  116    H6     U  11           H6         U  11  54.504   8.500  10.674
  117   1H5*    C  12          1H5*        C  12  52.632  13.218  15.487
  118   2H5*    C  12          2H5*        C  12  52.983  12.601  17.113
  119    H4*    C  12           H4*        C  12  50.511  12.679  16.413
  120    H3*    C  12           H3*        C  12  51.890  10.171  17.456
  121    H2*    C  12           H2*        C  12  49.800   9.067  17.380
  122   2HO*    C  12          2HO*        C  12  48.425  10.523  18.316
  123    H1*    C  12           H1*        C  12  48.896  10.200  15.017
  124   1H4     C  12          1H4         C  12  51.086   4.378  13.723
  125   2H4     C  12          2H4         C  12  52.726   4.968  13.739
  126    H5     C  12           H5         C  12  53.304   7.224  14.310
  127    H6     C  12           H6         C  12  52.436   9.384  15.019
  128   1H5*    U  13          1H5*        U  13  50.422   8.164  21.221
  129   2H5*    U  13          2H5*        U  13  51.205   7.943  19.643
  130    H4*    U  13           H4*        U  13  48.221   7.572  19.792
  131    H3*    U  13           H3*        U  13  50.292   5.711  21.023
  132    H2*    U  13           H2*        U  13  49.196   3.886  20.063
  133   2HO*    U  13          2HO*        U  13  46.827   4.473  19.329
  134    H1*    U  13           H1*        U  13  47.925   5.318  17.924
  135    H3     U  13           H3         U  13  49.634   1.229  16.623
  136    H5     U  13           H5         U  13  52.829   3.977  16.426
  137    H6     U  13           H6         U  13  51.436   5.581  17.574
  138   1H5*    C  14          1H5*        C  14  46.549   4.176  21.432
  139   2H5*    C  14          2H5*        C  14  46.129   3.790  23.112
  140    H4*    C  14           H4*        C  14  45.578   1.895  21.714
  141    H3*    C  14           H3*        C  14  47.941   1.616  23.587
  142    H2*    C  14           H2*        C  14  48.396  -0.554  22.785
  143   2HO*    C  14          2HO*        C  14  46.292  -0.974  21.105
  144    H1*    C  14           H1*        C  14  47.821  -0.149  20.125
  145   1H4     C  14          1H4         C  14  54.132   0.483  20.548
  146   2H4     C  14          2H4         C  14  53.944   2.076  21.246
  147    H5     C  14           H5         C  14  51.800   3.030  21.804
  148    H6     C  14           H6         C  14  49.374   2.653  21.800
  149   1H5*    G  15          1H5*        G  15  47.632  -1.474  27.307
  150   2H5*    G  15          2H5*        G  15  48.422  -0.198  26.356
  151    H4*    G  15           H4*        G  15  47.834  -2.875  25.094
  152    H3*    G  15           H3*        G  15  49.297  -2.934  27.391
  153    H2*    G  15           H2*        G  15  50.736  -1.089  26.768
  154   2HO*    G  15          2HO*        G  15  52.251  -3.187  25.619
  155    H1*    G  15           H1*        G  15  51.128  -2.419  24.080
  156    H8     G  15           H8         G  15  52.843  -0.898  22.958
  157    H1     G  15           H1         G  15  50.761   4.371  25.874
  158   1H2     G  15          1H2         G  15  49.074   3.875  27.221
  159   2H2     G  15          2H2         G  15  48.461   2.248  27.395
  160   1H5*    C  16          1H5*        C  16  47.220  -5.467  22.406
  161   2H5*    C  16          2H5*        C  16  48.748  -6.183  22.959
  162    H4*    C  16           H4*        C  16  48.330  -3.651  21.345
  163    H3*    C  16           H3*        C  16  49.205  -6.363  20.760
  164    H2*    C  16           H2*        C  16  51.486  -5.956  21.029
  165   2HO*    C  16          2HO*        C  16  50.845  -5.448  18.635
  166    H1*    C  16           H1*        C  16  51.124  -2.979  20.713
  167   1H4     C  16          1H4         C  16  56.820  -3.166  23.537
  168   2H4     C  16          2H4         C  16  56.326  -4.494  24.563
  169    H5     C  16           H5         C  16  54.137  -5.517  24.441
  170    H6     C  16           H6         C  16  51.967  -5.468  23.314
  171   1H5*    U  17          1H5*        U  17  48.115  -4.898  15.733
  172   2H5*    U  17          2H5*        U  17  49.648  -5.381  14.985
  173    H4*    U  17           H4*        U  17  48.704  -2.704  15.843
  174    H3*    U  17           H3*        U  17  50.263  -3.903  13.637
  175    H2*    U  17           H2*        U  17  52.238  -2.822  14.113
  176   2HO*    U  17          2HO*        U  17  51.557  -0.276  14.388
  177    H1*    U  17           H1*        U  17  51.102  -1.006  16.173
  178    H3     U  17           H3         U  17  55.769  -0.775  15.948
  179    H5     U  17           H5         U  17  54.755  -4.054  18.382
  180    H6     U  17           H6         U  17  52.443  -3.816  17.614
  181   1H5*    G  18          1H5*        G  18  45.903  -3.434  12.990
  182   2H5*    G  18          2H5*        G  18  45.310  -2.562  11.562
  183    H4*    G  18           H4*        G  18  43.837  -2.263  13.550
  184    H3*    G  18           H3*        G  18  45.099  -0.025  12.048
  185    H2*    G  18           H2*        G  18  44.844   1.619  13.704
  186   2HO*    G  18          2HO*        G  18  42.975   1.722  14.679
  187    H1*    G  18           H1*        G  18  45.207   0.189  15.989
  188    H8     G  18           H8         G  18  47.843  -1.428  14.343
  189    H1     G  18           H1         G  18  49.262   4.759  14.483
  190   1H2     G  18          1H2         G  18  47.448   5.955  14.957
  191   2H2     G  18          2H2         G  18  45.885   5.224  15.243
  192   1H5*    A  19          1H5*        A  19  41.695   1.693  12.832
  193   2H5*    A  19          2H5*        A  19  40.420   1.612  11.598
  194    H4*    A  19           H4*        A  19  40.310   3.866  12.002
  195    H3*    A  19           H3*        A  19  42.552   3.448  10.007
  196    H2*    A  19           H2*        A  19  43.074   5.780  10.090
  197   2HO*    A  19          2HO*        A  19  41.696   7.265  10.874
  198    H1*    A  19           H1*        A  19  43.206   5.951  12.747
  199    H8     A  19           H8         A  19  43.955   2.382  11.760
  200   1H6     A  19          1H6         A  19  49.807   4.086  10.936
  201   2H6     A  19          2H6         A  19  48.707   2.727  11.018
  202    H2     A  19           H2         A  19  47.354   7.785  11.591
  203   1H5*    C  20          1H5*        C  20  40.846   6.718   8.805
  204   2H5*    C  20          2H5*        C  20  41.017   7.092   7.079
  205    H4*    C  20           H4*        C  20  42.428   8.487   8.711
  206    H3*    C  20           H3*        C  20  43.679   6.931   6.408
  207    H2*    C  20           H2*        C  20  45.697   8.081   6.931
  208   2HO*    C  20          2HO*        C  20  45.087   9.736   8.899
  209    H1*    C  20           H1*        C  20  45.337   7.980   9.698
  210   1H4     C  20          1H4         C  20  49.677   3.678   7.848
  211   2H4     C  20          2H4         C  20  48.445   2.446   8.033
  212    H5     C  20           H5         C  20  46.122   2.958   8.475
  213    H6     C  20           H6         C  20  44.484   4.754   8.815
  214   1H5*    U  21          1H5*        U  21  44.770  10.779   5.118
  215   2H5*    U  21          2H5*        U  21  44.908  10.742   3.348
  216    H4*    U  21           H4*        U  21  47.098  10.875   4.747
  217    H3*    U  21           H3*        U  21  46.485   9.072   2.409
  218    H2*    U  21           H2*        U  21  48.281   7.704   2.826
  219   2HO*    U  21          2HO*        U  21  50.236   8.869   3.873
  220    H1*    U  21           H1*        U  21  48.945   8.672   5.490
  221    H3     U  21           H3         U  21  50.026   4.233   5.191
  222    H5     U  21           H5         U  21  45.835   4.366   5.555
  223    H6     U  21           H6         U  21  45.958   6.772   5.227
  224   1H5*    U  22          1H5*        U  22  50.573  11.368   1.693
  225   2H5*    U  22          2H5*        U  22  50.669  11.536  -0.071
  226    H4*    U  22           H4*        U  22  52.726  10.530   0.949
  227    H3*    U  22           H3*        U  22  51.058   8.987  -1.068
  228    H2*    U  22           H2*        U  22  52.630   7.210  -0.957
  229   2HO*    U  22          2HO*        U  22  54.296   9.192   0.197
  230    H1*    U  22           H1*        U  22  52.999   7.211   1.739
  231    H3     U  22           H3         U  22  50.614   3.489   0.519
  232    H5     U  22           H5         U  22  47.776   6.552   1.013
  233    H6     U  22           H6         U  22  49.618   8.115   1.192
  234   1H5*    U  23          1H5*        U  23  55.529   8.847  -2.293
  235   2H5*    U  23          2H5*        U  23  55.415   9.445  -3.960
  236    H4*    U  23           H4*        U  23  56.846   7.495  -3.958
  237    H3*    U  23           H3*        U  23  54.090   7.186  -5.165
  238    H2*    U  23           H2*        U  23  54.459   4.889  -5.558
  239   2HO*    U  23          2HO*        U  23  57.194   5.087  -4.865
  240    H1*    U  23           H1*        U  23  55.829   4.257  -3.299
  241    H3     U  23           H3         U  23  51.975   2.081  -2.535
  242    H5     U  23           H5         U  23  50.875   6.142  -2.268
  243    H6     U  23           H6         U  23  53.115   6.729  -2.996
  244   1H5*    C  24          1H5*        C  24  56.687   5.588  -8.609
  245   2H5*    C  24          2H5*        C  24  55.608   5.877  -9.988
  246    H4*    C  24           H4*        C  24  56.144   3.422  -9.408
  247    H3*    C  24           H3*        C  24  53.341   4.549  -9.752
  248    H2*    C  24           H2*        C  24  52.462   2.378  -9.400
  249   2HO*    C  24          2HO*        C  24  54.283   0.637  -9.190
  250    H1*    C  24           H1*        C  24  54.233   1.585  -7.427
  251   1H4     C  24          1H4         C  24  48.912   3.367  -4.431
  252   2H4     C  24          2H4         C  24  49.314   5.053  -4.670
  253    H5     C  24           H5         C  24  51.224   5.787  -5.939
  254    H6     C  24           H6         C  24  53.160   5.064  -7.257
  255   1H5*    A  25          1H5*        A  25  54.242   1.137 -11.647
  256   2H5*    A  25          2H5*        A  25  53.383   0.548 -13.084
  257    H4*    A  25           H4*        A  25  53.190  -0.825 -10.880
  258    H3*    A  25           H3*        A  25  50.917   0.023 -12.692
  259    H2*    A  25           H2*        A  25  49.349  -0.882 -11.241
  260   2HO*    A  25          2HO*        A  25  51.397  -2.713 -10.814
  261    H1*    A  25           H1*        A  25  50.850  -0.693  -8.835
  262    H8     A  25           H8         A  25  50.362   2.653 -10.265
  263   1H6     A  25          1H6         A  25  44.707   2.676  -7.788
  264   2H6     A  25          2H6         A  25  45.948   3.669  -8.523
  265    H2     A  25           H2         A  25  46.287  -1.522  -7.675
  266   1H5*    G  26          1H5*        G  26  52.001  -4.862 -12.382
  267   2H5*    G  26          2H5*        G  26  50.890  -5.646 -13.521
  268    H4*    G  26           H4*        G  26  51.094  -6.706 -11.191
  269    H3*    G  26           H3*        G  26  48.478  -5.923 -12.513
  270    H2*    G  26           H2*        G  26  47.291  -6.745 -10.605
  271   2HO*    G  26          2HO*        G  26  49.749  -7.701  -9.520
  272    H1*    G  26           H1*        G  26  48.832  -5.612  -8.718
  273    H8     G  26           H8         G  26  49.054  -3.035 -11.205
  274    H1     G  26           H1         G  26  43.118  -3.244  -8.981
  275   1H2     G  26          1H2         G  26  42.777  -5.130  -7.873
  276   2H2     G  26          2H2         G  26  44.020  -6.349  -7.677
  277   1H5*    C  27          1H5*        C  27  48.100  -9.267 -10.967
  278   2H5*    C  27          2H5*        C  27  47.728 -10.780 -11.819
  279    H4*    C  27           H4*        C  27  46.177 -10.731 -10.042
  280    H3*    C  27           H3*        C  27  45.003  -9.760 -12.660
  281    H2*    C  27           H2*        C  27  42.919  -9.302 -11.575
  282   2HO*    C  27          2HO*        C  27  42.400 -10.120  -9.589
  283    H1*    C  27           H1*        C  27  43.900  -8.061  -9.418
  284   1H4     C  27          1H4         C  27  43.349  -3.280 -13.542
  285   2H4     C  27          2H4         C  27  44.905  -3.682 -14.232
  286    H5     C  27           H5         C  27  46.161  -5.635 -13.603
  287    H6     C  27           H6         C  27  46.207  -7.624 -12.194
  288   1H5*    C  28          1H5*        C  28  42.473 -11.840 -11.266
  289   2H5*    C  28          2H5*        C  28  41.518 -13.105 -12.064
  290    H4*    C  28           H4*        C  28  39.933 -11.422 -11.606
  291    H3*    C  28           H3*        C  28  41.001 -11.086 -14.445
  292    H2*    C  28           H2*        C  28  39.389  -9.350 -14.712
  293   2HO*    C  28          2HO*        C  28  37.831 -10.762 -13.336
  294    H1*    C  28           H1*        C  28  39.762  -8.222 -12.218
  295   1H4     C  28          1H4         C  28  43.214  -4.817 -16.344
  296   2H4     C  28          2H4         C  28  44.509  -5.991 -16.252
  297    H5     C  28           H5         C  28  44.331  -8.056 -15.014
  298    H6     C  28           H6         C  28  42.882  -9.442 -13.635
  299   1H5*    C  29          1H5*        C  29  36.694 -11.534 -15.536
  300   2H5*    C  29          2H5*        C  29  36.762 -13.027 -16.493
  301    H4*    C  29           H4*        C  29  35.645 -11.510 -17.911
  302    H3*    C  29           H3*        C  29  38.618 -11.601 -18.546
  303    H2*    C  29           H2*        C  29  38.259 -10.028 -20.269
  304   2HO*    C  29          2HO*        C  29  35.673  -9.613 -20.420
  305    H1*    C  29           H1*        C  29  36.337  -8.503 -19.003
  306   1H4     C  29          1H4         C  29  41.653  -5.117 -18.404
  307   2H4     C  29          2H4         C  29  42.471  -6.431 -17.595
  308    H5     C  29           H5         C  29  41.453  -8.561 -17.193
  309    H6     C  29           H6         C  29  39.422  -9.904 -17.453
  310   1H5*    C  30          1H5*        C  30  35.967 -11.552 -22.170
  311   2H5*    C  30          2H5*        C  30  36.980 -11.945 -23.572
  312    H4*    C  30           H4*        C  30  36.019  -9.535 -23.385
  313    H3*    C  30           H3*        C  30  38.951 -10.163 -23.864
  314    H2*    C  30           H2*        C  30  39.308  -7.862 -24.192
  315   2HO*    C  30          2HO*        C  30  37.028  -7.876 -25.369
  316    H1*    C  30           H1*        C  30  37.529  -7.016 -22.207
  317   1H4     C  30          1H4         C  30  43.336  -6.402 -19.704
  318   2H4     C  30          2H4         C  30  43.577  -8.134 -19.734
  319    H5     C  30           H5         C  30  41.966  -9.671 -20.649
  320    H6     C  30           H6         C  30  39.786  -9.890 -21.734
  321    H3T    C  30           H3T        C  30  37.674  -9.108 -25.933
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  40.752   5.114 -22.334
    2   2H5*    G   1          2H5*        G   1  40.959   6.358 -21.083
    3    H4*    G   1           H4*        G   1  38.643   5.978 -21.069
    4    H3*    G   1           H3*        G   1  40.125   4.506 -18.911
    5    H2*    G   1           H2*        G   1  38.230   3.196 -18.291
    6   2HO*    G   1          2HO*        G   1  36.112   3.771 -19.115
    7    H1*    G   1           H1*        G   1  37.224   2.640 -20.733
    8    H8     G   1           H8         G   1  41.050   2.814 -20.509
    9    H1     G   1           H1         G   1  38.612  -2.984 -19.479
   10   1H2     G   1          1H2         G   1  36.392  -2.863 -19.413
   11   2H2     G   1          2H2         G   1  35.527  -1.357 -19.619
   12    H5T    G   1           H5T        G   1  41.920   4.957 -19.811
   13   1H5*    G   2          1H5*        G   2  37.035   5.226 -17.395
   14   2H5*    G   2          2H5*        G   2  36.722   6.033 -15.848
   15    H4*    G   2           H4*        G   2  35.936   3.872 -15.435
   16    H3*    G   2           H3*        G   2  38.809   4.169 -14.550
   17    H2*    G   2           H2*        G   2  39.011   1.898 -14.187
   18   2HO*    G   2          2HO*        G   2  36.653   0.863 -13.797
   19    H1*    G   2           H1*        G   2  36.745   1.013 -15.735
   20    H8     G   2           H8         G   2  39.955   2.503 -17.133
   21    H1     G   2           H1         G   2  40.251  -3.809 -16.279
   22   1H2     G   2          1H2         G   2  38.389  -4.525 -15.308
   23   2H2     G   2          2H2         G   2  37.081  -3.447 -14.874
   24   1H5*    G   3          1H5*        G   3  35.602   3.130 -11.220
   25   2H5*    G   3          2H5*        G   3  36.283   3.254  -9.585
   26    H4*    G   3           H4*        G   3  35.150   1.034 -10.182
   27    H3*    G   3           H3*        G   3  37.958   1.314  -9.077
   28    H2*    G   3           H2*        G   3  38.289  -0.998  -9.218
   29   2HO*    G   3          2HO*        G   3  35.447  -1.150  -9.260
   30    H1*    G   3           H1*        G   3  36.815  -1.531 -11.490
   31    H8     G   3           H8         G   3  39.064   1.367 -12.104
   32    H1     G   3           H1         G   3  42.153  -4.192 -12.415
   33   1H2     G   3          1H2         G   3  40.887  -5.822 -11.614
   34   2H2     G   3          2H2         G   3  39.273  -5.538 -10.996
   35   1H5*    C   4          1H5*        C   4  35.955  -1.838  -7.599
   36   2H5*    C   4          2H5*        C   4  35.580  -1.747  -5.866
   37    H4*    C   4           H4*        C   4  36.215  -3.983  -6.114
   38    H3*    C   4           H3*        C   4  38.598  -2.295  -5.289
   39    H2*    C   4           H2*        C   4  39.980  -4.230  -5.344
   40   2HO*    C   4          2HO*        C   4  39.025  -5.968  -4.574
   41    H1*    C   4           H1*        C   4  39.054  -5.269  -7.679
   42   1H4     C   4          1H4         C   4  43.971  -1.542  -9.268
   43   2H4     C   4          2H4         C   4  43.024  -0.119  -8.949
   44    H5     C   4           H5         C   4  40.812  -0.171  -8.088
   45    H6     C   4           H6         C   4  38.970  -1.597  -7.341
   46   1H5*    U   5          1H5*        U   5  38.786  -5.760  -2.328
   47   2H5*    U   5          2H5*        U   5  39.858  -5.092  -1.082
   48    H4*    U   5           H4*        U   5  40.721  -7.049  -2.591
   49    H3*    U   5           H3*        U   5  42.242  -4.498  -1.927
   50    H2*    U   5           H2*        U   5  44.107  -5.426  -3.102
   51   2HO*    U   5          2HO*        U   5  43.812  -7.674  -3.962
   52    H1*    U   5           H1*        U   5  42.698  -6.345  -5.241
   53    H3     U   5           H3         U   5  44.959  -2.740  -6.783
   54    H5     U   5           H5         U   5  41.801  -1.088  -4.569
   55    H6     U   5           H6         U   5  41.235  -3.324  -3.815
   56   1H5*    G   6          1H5*        G   6  44.670  -7.933  -1.150
   57   2H5*    G   6          2H5*        G   6  46.030  -7.555  -0.073
   58    H4*    G   6           H4*        G   6  46.489  -8.124  -2.599
   59    H3*    G   6           H3*        G   6  47.710  -5.867  -0.967
   60    H2*    G   6           H2*        G   6  49.010  -5.262  -2.854
   61   2HO*    G   6          2HO*        G   6  49.743  -6.757  -4.162
   62    H1*    G   6           H1*        G   6  47.078  -5.686  -4.773
   63    H8     G   6           H8         G   6  45.225  -3.873  -2.195
   64    H1     G   6           H1         G   6  49.650  -0.086  -4.763
   65   1H2     G   6          1H2         G   6  51.046  -1.289  -6.009
   66   2H2     G   6          2H2         G   6  50.903  -3.024  -6.175
   67   1H5*    U   7          1H5*        U   7  50.428  -7.249  -2.605
   68   2H5*    U   7          2H5*        U   7  51.746  -8.252  -1.971
   69    H4*    U   7           H4*        U   7  53.089  -6.721  -2.990
   70    H3*    U   7           H3*        U   7  52.193  -5.308  -0.451
   71    H2*    U   7           H2*        U   7  53.390  -3.382  -1.174
   72   2HO*    U   7          2HO*        U   7  55.197  -4.811  -1.970
   73    H1*    U   7           H1*        U   7  52.642  -3.468  -3.791
   74    H3     U   7           H3         U   7  50.296   0.085  -2.362
   75    H5     U   7           H5         U   7  48.563  -3.105  -0.280
   76    H6     U   7           H6         U   7  50.245  -4.576  -1.212
   77   1H5*    U   8          1H5*        U   8  56.783  -4.663  -0.343
   78   2H5*    U   8          2H5*        U   8  57.075  -4.742   1.405
   79    H4*    U   8           H4*        U   8  57.808  -2.580   0.323
   80    H3*    U   8           H3*        U   8  55.710  -2.591   2.531
   81    H2*    U   8           H2*        U   8  55.649  -0.240   2.420
   82   2HO*    U   8          2HO*        U   8  57.383   0.928   1.355
   83    H1*    U   8           H1*        U   8  56.202   0.002  -0.337
   84    H3     U   8           H3         U   8  52.324   2.213   0.284
   85    H5     U   8           H5         U   8  51.275  -1.849   0.682
   86    H6     U   8           H6         U   8  53.637  -2.384   0.621
   87   1H5*    U   9          1H5*        U   9  59.266   0.287   2.781
   88   2H5*    U   9          2H5*        U   9  59.538   0.709   4.483
   89    H4*    U   9           H4*        U   9  59.185   2.639   2.772
   90    H3*    U   9           H3*        U   9  57.687   2.380   5.411
   91    H2*    U   9           H2*        U   9  56.718   4.493   4.970
   92   2HO*    U   9          2HO*        U   9  58.285   4.998   2.689
   93    H1*    U   9           H1*        U   9  56.433   4.139   2.213
   94    H3     U   9           H3         U   9  52.289   4.722   4.046
   95    H5     U   9           H5         U   9  53.308   0.714   4.883
   96    H6     U   9           H6         U   9  55.538   1.177   4.056
   97   1H5*    U  10          1H5*        U  10  60.555   5.891   6.441
   98   2H5*    U  10          2H5*        U  10  60.492   5.916   8.215
   99    H4*    U  10           H4*        U  10  59.428   7.899   6.869
  100    H3*    U  10           H3*        U  10  58.085   6.413   9.167
  101    H2*    U  10           H2*        U  10  56.309   7.962   8.988
  102   2HO*    U  10          2HO*        U  10  58.266   9.566   7.719
  103    H1*    U  10           H1*        U  10  56.395   8.243   6.205
  104    H3     U  10           H3         U  10  52.272   6.802   7.546
  105    H5     U  10           H5         U  10  54.684   3.349   7.524
  106    H6     U  10           H6         U  10  56.611   4.781   7.149
  107   1H5*    U  11          1H5*        U  11  57.690  10.753   9.784
  108   2H5*    U  11          2H5*        U  11  57.920  11.011  11.525
  109    H4*    U  11           H4*        U  11  55.747  11.923  10.631
  110    H3*    U  11           H3*        U  11  55.779   9.784  12.789
  111    H2*    U  11           H2*        U  11  53.425   9.927  12.877
  112   2HO*    U  11          2HO*        U  11  53.835  12.462  11.669
  113    H1*    U  11           H1*        U  11  52.969  10.386  10.180
  114    H3     U  11           H3         U  11  50.839   6.494  11.105
  115    H5     U  11           H5         U  11  54.930   5.485  11.098
  116    H6     U  11           H6         U  11  55.444   7.831  10.890
  117   1H5*    C  12          1H5*        C  12  53.523  13.301  14.552
  118   2H5*    C  12          2H5*        C  12  53.786  13.181  16.303
  119    H4*    C  12           H4*        C  12  51.366  13.061  15.625
  120    H3*    C  12           H3*        C  12  52.680  10.703  17.045
  121    H2*    C  12           H2*        C  12  50.532   9.709  17.162
  122   2HO*    C  12          2HO*        C  12  49.080  11.828  16.112
  123    H1*    C  12           H1*        C  12  49.657  10.558  14.650
  124   1H4     C  12          1H4         C  12  51.244   4.419  14.259
  125   2H4     C  12          2H4         C  12  52.940   4.824  14.263
  126    H5     C  12           H5         C  12  53.755   7.066  14.521
  127    H6     C  12           H6         C  12  53.124   9.387  14.847
  128   1H5*    U  13          1H5*        U  13  51.016   9.212  20.840
  129   2H5*    U  13          2H5*        U  13  51.542   8.976  19.160
  130    H4*    U  13           H4*        U  13  48.613   9.112  19.400
  131    H3*    U  13           H3*        U  13  50.175   7.109  21.079
  132    H2*    U  13           H2*        U  13  48.724   5.408  20.392
  133   2HO*    U  13          2HO*        U  13  46.587   6.095  19.445
  134    H1*    U  13           H1*        U  13  47.971   6.555  17.888
  135    H3     U  13           H3         U  13  49.106   2.054  17.715
  136    H5     U  13           H5         U  13  52.661   4.254  17.130
  137    H6     U  13           H6         U  13  51.464   6.243  17.780
  138   1H5*    C  14          1H5*        C  14  46.390   6.443  21.556
  139   2H5*    C  14          2H5*        C  14  45.748   6.424  23.210
  140    H4*    C  14           H4*        C  14  45.038   4.399  22.111
  141    H3*    C  14           H3*        C  14  47.215   4.112  24.202
  142    H2*    C  14           H2*        C  14  47.353   1.794  23.798
  143   2HO*    C  14          2HO*        C  14  44.729   2.083  23.321
  144    H1*    C  14           H1*        C  14  46.995   1.830  21.064
  145   1H4     C  14          1H4         C  14  53.275   1.430  21.980
  146   2H4     C  14          2H4         C  14  53.343   3.130  22.386
  147    H5     C  14           H5         C  14  51.383   4.526  22.564
  148    H6     C  14           H6         C  14  48.940   4.581  22.392
  149   1H5*    G  15          1H5*        G  15  46.052   1.493  28.245
  150   2H5*    G  15          2H5*        G  15  47.155   2.580  27.374
  151    H4*    G  15           H4*        G  15  46.402  -0.131  26.258
  152    H3*    G  15           H3*        G  15  47.656  -0.029  28.694
  153    H2*    G  15           H2*        G  15  49.354   1.537  27.971
  154   2HO*    G  15          2HO*        G  15  51.224  -0.006  27.417
  155    H1*    G  15           H1*        G  15  49.717  -0.203  25.516
  156    H8     G  15           H8         G  15  51.702   0.848  24.332
  157    H1     G  15           H1         G  15  50.456   6.737  26.415
  158   1H2     G  15          1H2         G  15  48.637   6.720  27.678
  159   2H2     G  15          2H2         G  15  47.737   5.258  28.000
  160   1H5*    C  16          1H5*        C  16  45.516  -2.954  23.985
  161   2H5*    C  16          2H5*        C  16  46.867  -3.823  24.743
  162    H4*    C  16           H4*        C  16  46.952  -1.579  22.716
  163    H3*    C  16           H3*        C  16  47.589  -4.450  22.767
  164    H2*    C  16           H2*        C  16  49.882  -4.189  22.943
  165   2HO*    C  16          2HO*        C  16  50.508  -4.179  20.933
  166    H1*    C  16           H1*        C  16  49.805  -1.266  22.255
  167   1H4     C  16          1H4         C  16  55.291  -1.724  25.446
  168   2H4     C  16          2H4         C  16  54.580  -2.824  26.606
  169    H5     C  16           H5         C  16  52.289  -3.591  26.472
  170    H6     C  16           H6         C  16  50.202  -3.437  25.214
  171   1H5*    U  17          1H5*        U  17  46.928  -3.947  17.510
  172   2H5*    U  17          2H5*        U  17  48.417  -4.769  17.008
  173    H4*    U  17           H4*        U  17  47.843  -1.880  17.295
  174    H3*    U  17           H3*        U  17  49.433  -3.661  15.539
  175    H2*    U  17           H2*        U  17  51.482  -2.747  16.083
  176   2HO*    U  17          2HO*        U  17  51.092  -0.123  15.847
  177    H1*    U  17           H1*        U  17  50.363  -0.469  17.643
  178    H3     U  17           H3         U  17  55.002  -0.647  18.063
  179    H5     U  17           H5         U  17  53.380  -3.447  20.753
  180    H6     U  17           H6         U  17  51.223  -3.150  19.654
  181   1H5*    G  18          1H5*        G  18  45.298  -2.831  14.320
  182   2H5*    G  18          2H5*        G  18  44.947  -2.189  12.702
  183    H4*    G  18           H4*        G  18  43.339  -1.368  14.411
  184    H3*    G  18           H3*        G  18  45.024   0.418  12.727
  185    H2*    G  18           H2*        G  18  44.806   2.351  14.044
  186   2HO*    G  18          2HO*        G  18  42.630   1.174  15.466
  187    H1*    G  18           H1*        G  18  44.750   1.319  16.560
  188    H8     G  18           H8         G  18  47.328  -0.830  15.513
  189    H1     G  18           H1         G  18  49.457   5.120  14.881
  190   1H2     G  18          1H2         G  18  47.757   6.554  14.940
  191   2H2     G  18          2H2         G  18  46.098   6.041  15.146
  192   1H5*    A  19          1H5*        A  19  42.234   2.877  13.298
  193   2H5*    A  19          2H5*        A  19  40.923   2.760  12.106
  194    H4*    A  19           H4*        A  19  41.044   5.049  12.225
  195    H3*    A  19           H3*        A  19  43.097   4.127  10.207
  196    H2*    A  19           H2*        A  19  43.961   6.338   9.985
  197   2HO*    A  19          2HO*        A  19  41.474   6.997  10.983
  198    H1*    A  19           H1*        A  19  44.236   6.842  12.580
  199    H8     A  19           H8         A  19  44.411   3.095  11.996
  200   1H6     A  19          1H6         A  19  50.463   3.803  11.167
  201   2H6     A  19          2H6         A  19  49.170   2.641  11.364
  202    H2     A  19           H2         A  19  48.588   7.875  11.341
  203   1H5*    C  20          1H5*        C  20  41.679   7.520   8.673
  204   2H5*    C  20          2H5*        C  20  41.885   7.667   6.916
  205    H4*    C  20           H4*        C  20  43.467   9.037   8.456
  206    H3*    C  20           H3*        C  20  44.417   7.237   6.189
  207    H2*    C  20           H2*        C  20  46.602   8.049   6.601
  208   2HO*    C  20          2HO*        C  20  46.056   9.987   8.460
  209    H1*    C  20           H1*        C  20  46.302   8.290   9.387
  210   1H4     C  20          1H4         C  20  50.186   3.419   8.104
  211   2H4     C  20          2H4         C  20  48.820   2.335   8.274
  212    H5     C  20           H5         C  20  46.540   3.117   8.528
  213    H6     C  20           H6         C  20  45.092   5.094   8.656
  214   1H5*    U  21          1H5*        U  21  45.610  10.947   4.498
  215   2H5*    U  21          2H5*        U  21  45.688  10.790   2.731
  216    H4*    U  21           H4*        U  21  47.923  10.791   4.069
  217    H3*    U  21           H3*        U  21  47.087   8.912   1.861
  218    H2*    U  21           H2*        U  21  48.757   7.409   2.342
  219   2HO*    U  21          2HO*        U  21  50.791   8.077   2.317
  220    H1*    U  21           H1*        U  21  49.589   8.553   4.902
  221    H3     U  21           H3         U  21  50.433   4.062   5.000
  222    H5     U  21           H5         U  21  46.259   4.433   5.385
  223    H6     U  21           H6         U  21  46.492   6.791   4.847
  224   1H5*    U  22          1H5*        U  22  51.376  10.560   0.873
  225   2H5*    U  22          2H5*        U  22  51.476  10.474  -0.896
  226    H4*    U  22           H4*        U  22  53.315   9.238   0.310
  227    H3*    U  22           H3*        U  22  51.408   7.782  -1.565
  228    H2*    U  22           H2*        U  22  52.726   5.824  -1.251
  229   2HO*    U  22          2HO*        U  22  54.694   7.592  -0.933
  230    H1*    U  22           H1*        U  22  53.066   6.089   1.453
  231    H3     U  22           H3         U  22  50.254   2.567   0.759
  232    H5     U  22           H5         U  22  47.829   5.981   0.339
  233    H6     U  22           H6         U  22  49.842   7.322   0.468
  234   1H5*    U  23          1H5*        U  23  55.258   7.165  -2.630
  235   2H5*    U  23          2H5*        U  23  55.827   8.013  -4.082
  236    H4*    U  23           H4*        U  23  56.917   6.037  -4.451
  237    H3*    U  23           H3*        U  23  54.106   5.685  -5.505
  238    H2*    U  23           H2*        U  23  54.457   3.387  -5.857
  239   2HO*    U  23          2HO*        U  23  57.153   4.174  -5.957
  240    H1*    U  23           H1*        U  23  56.038   2.821  -3.701
  241    H3     U  23           H3         U  23  52.359   0.469  -2.650
  242    H5     U  23           H5         U  23  51.054   4.469  -2.411
  243    H6     U  23           H6         U  23  53.217   5.159  -3.267
  244   1H5*    C  24          1H5*        C  24  56.672   3.990  -8.866
  245   2H5*    C  24          2H5*        C  24  55.746   4.404 -10.322
  246    H4*    C  24           H4*        C  24  56.087   1.932 -10.002
  247    H3*    C  24           H3*        C  24  53.302   3.148 -10.081
  248    H2*    C  24           H2*        C  24  52.376   0.977  -9.878
  249   2HO*    C  24          2HO*        C  24  54.763  -0.442 -10.017
  250    H1*    C  24           H1*        C  24  54.223  -0.047  -8.093
  251   1H4     C  24          1H4         C  24  49.160   1.610  -4.612
  252   2H4     C  24          2H4         C  24  49.558   3.304  -4.791
  253    H5     C  24           H5         C  24  51.379   4.098  -6.146
  254    H6     C  24           H6         C  24  53.225   3.442  -7.619
  255   1H5*    A  25          1H5*        A  25  54.100  -0.103 -12.397
  256   2H5*    A  25          2H5*        A  25  53.141  -0.551 -13.821
  257    H4*    A  25           H4*        A  25  53.138  -2.148 -11.758
  258    H3*    A  25           H3*        A  25  50.730  -1.200 -13.333
  259    H2*    A  25           H2*        A  25  49.279  -2.258 -11.856
  260   2HO*    A  25          2HO*        A  25  50.997  -3.940 -10.539
  261    H1*    A  25           H1*        A  25  50.978  -2.302  -9.564
  262    H8     A  25           H8         A  25  50.221   1.147 -10.701
  263   1H6     A  25          1H6         A  25  44.933   0.786  -7.544
  264   2H6     A  25          2H6         A  25  46.025   1.863  -8.385
  265    H2     A  25           H2         A  25  46.712  -3.332  -7.804
  266   1H5*    G  26          1H5*        G  26  51.673  -5.541 -12.425
  267   2H5*    G  26          2H5*        G  26  51.706  -6.383 -13.986
  268    H4*    G  26           H4*        G  26  50.974  -8.098 -12.622
  269    H3*    G  26           H3*        G  26  48.576  -6.595 -13.683
  270    H2*    G  26           H2*        G  26  47.106  -7.871 -12.319
  271   2HO*    G  26          2HO*        G  26  49.331  -9.618 -12.104
  272    H1*    G  26           H1*        G  26  48.510  -7.818 -10.040
  273    H8     G  26           H8         G  26  49.198  -4.581 -11.605
  274    H1     G  26           H1         G  26  43.328  -4.706  -9.209
  275   1H2     G  26          1H2         G  26  42.767  -6.792  -8.674
  276   2H2     G  26          2H2         G  26  43.849  -8.147  -8.911
  277   1H5*    C  27          1H5*        C  27  47.786 -10.286 -13.168
  278   2H5*    C  27          2H5*        C  27  47.386 -11.329 -14.546
  279    H4*    C  27           H4*        C  27  45.797 -11.868 -12.859
  280    H3*    C  27           H3*        C  27  44.738 -10.070 -15.049
  281    H2*    C  27           H2*        C  27  42.624  -9.925 -13.948
  282   2HO*    C  27          2HO*        C  27  42.816 -11.381 -11.776
  283    H1*    C  27           H1*        C  27  43.511  -9.529 -11.452
  284   1H4     C  27          1H4         C  27  43.255  -3.581 -13.633
  285   2H4     C  27          2H4         C  27  44.765  -3.806 -14.483
  286    H5     C  27           H5         C  27  45.902  -5.919 -14.605
  287    H6     C  27           H6         C  27  45.850  -8.268 -13.961
  288   1H5*    C  28          1H5*        C  28  41.840 -12.172 -14.202
  289   2H5*    C  28          2H5*        C  28  40.955 -13.020 -15.484
  290    H4*    C  28           H4*        C  28  39.378 -11.550 -14.454
  291    H3*    C  28           H3*        C  28  40.475 -10.431 -17.068
  292    H2*    C  28           H2*        C  28  38.905  -8.651 -16.837
  293   2HO*    C  28          2HO*        C  28  37.667 -10.453 -15.040
  294    H1*    C  28           H1*        C  28  39.258  -8.290 -14.121
  295   1H4     C  28          1H4         C  28  42.911  -3.932 -16.962
  296   2H4     C  28          2H4         C  28  44.159  -5.129 -17.228
  297    H5     C  28           H5         C  28  43.878  -7.471 -16.693
  298    H6     C  28           H6         C  28  42.342  -9.151 -15.835
  299   1H5*    C  29          1H5*        C  29  36.461 -10.602 -17.370
  300   2H5*    C  29          2H5*        C  29  35.756 -11.640 -18.626
  301    H4*    C  29           H4*        C  29  34.548  -9.678 -18.944
  302    H3*    C  29           H3*        C  29  37.034  -9.564 -20.695
  303    H2*    C  29           H2*        C  29  36.323  -7.439 -21.474
  304   2HO*    C  29          2HO*        C  29  34.023  -6.923 -20.344
  305    H1*    C  29           H1*        C  29  35.423  -6.456 -19.081
  306   1H4     C  29          1H4         C  29  41.253  -4.038 -19.630
  307   2H4     C  29          2H4         C  29  41.980  -5.628 -19.600
  308    H5     C  29           H5         C  29  40.700  -7.659 -19.480
  309    H6     C  29           H6         C  29  38.447  -8.614 -19.345
  310   1H5*    C  30          1H5*        C  30  33.520  -7.887 -22.614
  311   2H5*    C  30          2H5*        C  30  33.817  -7.786 -24.360
  312    H4*    C  30           H4*        C  30  33.666  -5.572 -23.007
  313    H3*    C  30           H3*        C  30  35.972  -6.244 -24.863
  314    H2*    C  30           H2*        C  30  36.749  -4.060 -24.528
  315   2HO*    C  30          2HO*        C  30  34.072  -3.537 -24.223
  316    H1*    C  30           H1*        C  30  35.910  -3.872 -21.846
  317   1H4     C  30          1H4         C  30  42.244  -4.350 -21.771
  318   2H4     C  30          2H4         C  30  42.158  -6.021 -22.279
  319    H5     C  30           H5         C  30  40.079  -7.124 -22.834
  320    H6     C  30           H6         C  30  37.664  -6.863 -23.028
  321    H3T    C  30           H3T        C  30  34.206  -4.324 -25.612
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  41.119   3.604 -23.169
    2   2H5*    G   1          2H5*        G   1  40.490   5.098 -22.442
    3    H4*    G   1           H4*        G   1  38.513   4.274 -23.256
    4    H3*    G   1           H3*        G   1  38.958   3.176 -20.493
    5    H2*    G   1           H2*        G   1  37.256   1.524 -20.695
    6   2HO*    G   1          2HO*        G   1  35.516   2.443 -21.566
    7    H1*    G   1           H1*        G   1  37.715   0.675 -23.207
    8    H8     G   1           H8         G   1  40.965   1.732 -21.526
    9    H1     G   1           H1         G   1  39.223  -4.249 -20.148
   10   1H2     G   1          1H2         G   1  37.172  -4.634 -20.922
   11   2H2     G   1          2H2         G   1  36.245  -3.421 -21.775
   12    H5T    G   1           H5T        G   1  41.357   4.343 -20.700
   13   1H5*    G   2          1H5*        G   2  35.726   3.202 -19.758
   14   2H5*    G   2          2H5*        G   2  34.992   4.389 -18.661
   15    H4*    G   2           H4*        G   2  34.616   2.505 -17.406
   16    H3*    G   2           H3*        G   2  37.419   3.445 -16.769
   17    H2*    G   2           H2*        G   2  37.914   1.473 -15.675
   18   2HO*    G   2          2HO*        G   2  35.130   1.294 -15.037
   19    H1*    G   2           H1*        G   2  35.759  -0.127 -16.762
   20    H8     G   2           H8         G   2  38.721   1.025 -18.815
   21    H1     G   2           H1         G   2  39.764  -4.472 -15.757
   22   1H2     G   2          1H2         G   2  38.027  -4.923 -14.431
   23   2H2     G   2          2H2         G   2  36.640  -3.869 -14.311
   24   1H5*    G   3          1H5*        G   3  34.570   3.131 -12.883
   25   2H5*    G   3          2H5*        G   3  35.478   3.843 -11.536
   26    H4*    G   3           H4*        G   3  34.617   1.420 -11.263
   27    H3*    G   3           H3*        G   3  37.451   2.364 -10.722
   28    H2*    G   3           H2*        G   3  38.087   0.190 -10.175
   29   2HO*    G   3          2HO*        G   3  36.277  -1.430  -9.849
   30    H1*    G   3           H1*        G   3  36.447  -1.207 -11.916
   31    H8     G   3           H8         G   3  38.360   1.585 -13.541
   32    H1     G   3           H1         G   3  41.846  -3.689 -12.720
   33   1H2     G   3          1H2         G   3  40.757  -5.118 -11.419
   34   2H2     G   3          2H2         G   3  39.175  -4.766 -10.758
   35   1H5*    C   4          1H5*        C   4  35.642  -0.016  -8.217
   36   2H5*    C   4          2H5*        C   4  35.240   0.417  -6.544
   37    H4*    C   4           H4*        C   4  35.801  -1.837  -6.327
   38    H3*    C   4           H3*        C   4  38.264  -0.124  -5.848
   39    H2*    C   4           H2*        C   4  39.517  -2.122  -5.451
   40   2HO*    C   4          2HO*        C   4  37.052  -3.563  -5.623
   41    H1*    C   4           H1*        C   4  38.616  -3.497  -7.588
   42   1H4     C   4          1H4         C   4  43.640  -0.210  -9.741
   43   2H4     C   4          2H4         C   4  42.658   1.225  -9.857
   44    H5     C   4           H5         C   4  40.409   1.341  -9.122
   45    H6     C   4           H6         C   4  38.545   0.131  -8.112
   46   1H5*    U   5          1H5*        U   5  38.023  -2.970  -2.639
   47   2H5*    U   5          2H5*        U   5  39.066  -2.472  -1.293
   48    H4*    U   5           H4*        U   5  39.834  -4.513  -2.643
   49    H3*    U   5           H3*        U   5  41.587  -2.059  -2.199
   50    H2*    U   5           H2*        U   5  43.363  -3.298  -3.229
   51   2HO*    U   5          2HO*        U   5  43.396  -5.432  -3.227
   52    H1*    U   5           H1*        U   5  41.889  -4.214  -5.316
   53    H3     U   5           H3         U   5  44.490  -0.978  -7.109
   54    H5     U   5           H5         U   5  41.532   1.143  -5.019
   55    H6     U   5           H6         U   5  40.741  -0.958  -4.114
   56   1H5*    G   6          1H5*        G   6  43.240  -5.499  -1.298
   57   2H5*    G   6          2H5*        G   6  44.557  -5.699  -0.125
   58    H4*    G   6           H4*        G   6  45.165  -6.244  -2.525
   59    H3*    G   6           H3*        G   6  46.641  -4.132  -0.910
   60    H2*    G   6           H2*        G   6  48.129  -3.850  -2.741
   61   2HO*    G   6          2HO*        G   6  48.021  -5.374  -4.546
   62    H1*    G   6           H1*        G   6  46.257  -4.023  -4.749
   63    H8     G   6           H8         G   6  44.580  -1.826  -2.347
   64    H1     G   6           H1         G   6  49.701   1.073  -4.762
   65   1H2     G   6          1H2         G   6  50.946  -0.392  -5.866
   66   2H2     G   6          2H2         G   6  50.534  -2.086  -5.980
   67   1H5*    U   7          1H5*        U   7  49.207  -5.974  -2.253
   68   2H5*    U   7          2H5*        U   7  50.315  -7.118  -1.470
   69    H4*    U   7           H4*        U   7  51.946  -5.832  -2.395
   70    H3*    U   7           H3*        U   7  51.015  -4.178  -0.018
   71    H2*    U   7           H2*        U   7  52.468  -2.445  -0.701
   72   2HO*    U   7          2HO*        U   7  54.351  -2.969  -1.504
   73    H1*    U   7           H1*        U   7  52.018  -2.613  -3.389
   74    H3     U   7           H3         U   7  50.085   1.304  -2.325
   75    H5     U   7           H5         U   7  47.740  -1.505  -0.287
   76    H6     U   7           H6         U   7  49.265  -3.239  -1.016
   77   1H5*    U   8          1H5*        U   8  55.835  -4.549   0.167
   78   2H5*    U   8          2H5*        U   8  56.048  -4.506   1.928
   79    H4*    U   8           H4*        U   8  57.481  -2.848   0.704
   80    H3*    U   8           H3*        U   8  55.386  -1.893   2.697
   81    H2*    U   8           H2*        U   8  56.205   0.320   2.375
   82   2HO*    U   8          2HO*        U   8  58.135   0.294   0.688
   83    H1*    U   8           H1*        U   8  56.397   0.202  -0.337
   84    H3     U   8           H3         U   8  52.836   2.859   0.610
   85    H5     U   8           H5         U   8  51.417  -1.071   1.192
   86    H6     U   8           H6         U   8  53.691  -1.862   0.893
   87   1H5*    U   9          1H5*        U   9  59.209   0.191   3.281
   88   2H5*    U   9          2H5*        U   9  59.336   0.592   5.004
   89    H4*    U   9           H4*        U   9  59.365   2.539   3.285
   90    H3*    U   9           H3*        U   9  57.552   2.440   5.732
   91    H2*    U   9           H2*        U   9  56.905   4.670   5.202
   92   2HO*    U   9          2HO*        U   9  58.127   5.555   3.186
   93    H1*    U   9           H1*        U   9  56.703   4.279   2.482
   94    H3     U   9           H3         U   9  52.531   5.026   4.249
   95    H5     U   9           H5         U   9  53.300   0.917   4.827
   96    H6     U   9           H6         U   9  55.582   1.312   4.141
   97   1H5*    U  10          1H5*        U  10  60.719   5.603   7.333
   98   2H5*    U  10          2H5*        U  10  60.297   5.566   9.057
   99    H4*    U  10           H4*        U  10  59.814   7.730   7.627
  100    H3*    U  10           H3*        U  10  57.933   6.418   9.632
  101    H2*    U  10           H2*        U  10  56.423   8.207   9.249
  102   2HO*    U  10          2HO*        U  10  57.052  10.120   8.221
  103    H1*    U  10           H1*        U  10  56.799   8.386   6.522
  104    H3     U  10           H3         U  10  52.532   7.088   7.613
  105    H5     U  10           H5         U  10  54.811   3.544   7.537
  106    H6     U  10           H6         U  10  56.810   4.913   7.350
  107   1H5*    U  11          1H5*        U  11  57.550  10.757  10.283
  108   2H5*    U  11          2H5*        U  11  57.876  10.895  12.021
  109    H4*    U  11           H4*        U  11  55.749  12.002  11.413
  110    H3*    U  11           H3*        U  11  55.630   9.524  13.163
  111    H2*    U  11           H2*        U  11  53.293   9.847  13.338
  112   2HO*    U  11          2HO*        U  11  52.313  11.802  13.000
  113    H1*    U  11           H1*        U  11  52.843  10.726  10.757
  114    H3     U  11           H3         U  11  50.548   6.829  11.257
  115    H5     U  11           H5         U  11  54.570   5.653  10.860
  116    H6     U  11           H6         U  11  55.191   7.981  10.927
  117   1H5*    C  12          1H5*        C  12  53.473  12.778  15.505
  118   2H5*    C  12          2H5*        C  12  53.849  12.363  17.189
  119    H4*    C  12           H4*        C  12  51.386  12.434  16.687
  120    H3*    C  12           H3*        C  12  52.700   9.846  17.607
  121    H2*    C  12           H2*        C  12  50.546   8.872  17.698
  122   2HO*    C  12          2HO*        C  12  49.797  11.200  18.537
  123    H1*    C  12           H1*        C  12  49.528  10.110  15.421
  124   1H4     C  12          1H4         C  12  51.094   4.097  14.045
  125   2H4     C  12          2H4         C  12  52.786   4.518  13.992
  126    H5     C  12           H5         C  12  53.609   6.713  14.495
  127    H6     C  12           H6         C  12  52.993   8.967  15.186
  128   1H5*    U  13          1H5*        U  13  50.067   9.041  21.622
  129   2H5*    U  13          2H5*        U  13  51.169   7.669  21.393
  130    H4*    U  13           H4*        U  13  48.433   8.138  20.192
  131    H3*    U  13           H3*        U  13  49.888   5.898  21.634
  132    H2*    U  13           H2*        U  13  48.564   4.356  20.469
  133   2HO*    U  13          2HO*        U  13  46.467   4.991  19.647
  134    H1*    U  13           H1*        U  13  47.956   6.080  18.239
  135    H3     U  13           H3         U  13  48.868   1.607  17.239
  136    H5     U  13           H5         U  13  52.507   3.734  17.051
  137    H6     U  13           H6         U  13  51.389   5.614  18.086
  138   1H5*    C  14          1H5*        C  14  46.209   4.854  21.507
  139   2H5*    C  14          2H5*        C  14  45.482   4.455  23.075
  140    H4*    C  14           H4*        C  14  45.141   2.582  21.623
  141    H3*    C  14           H3*        C  14  47.248   2.253  23.771
  142    H2*    C  14           H2*        C  14  47.796   0.099  22.999
  143   2HO*    C  14          2HO*        C  14  45.158   0.169  22.112
  144    H1*    C  14           H1*        C  14  47.497   0.530  20.287
  145   1H4     C  14          1H4         C  14  53.750   1.026  21.283
  146   2H4     C  14          2H4         C  14  53.526   2.576  22.062
  147    H5     C  14           H5         C  14  51.358   3.540  22.486
  148    H6     C  14           H6         C  14  48.930   3.208  22.251
  149   1H5*    G  15          1H5*        G  15  46.345  -0.774  27.518
  150   2H5*    G  15          2H5*        G  15  47.298   0.493  26.718
  151    H4*    G  15           H4*        G  15  46.960  -2.243  25.469
  152    H3*    G  15           H3*        G  15  48.110  -2.105  27.944
  153    H2*    G  15           H2*        G  15  49.585  -0.273  27.387
  154   2HO*    G  15          2HO*        G  15  51.677  -1.296  27.115
  155    H1*    G  15           H1*        G  15  50.313  -1.764  24.855
  156    H8     G  15           H8         G  15  52.136  -0.306  23.846
  157    H1     G  15           H1         G  15  49.718   5.124  26.154
  158   1H2     G  15          1H2         G  15  47.886   4.702  27.322
  159   2H2     G  15          2H2         G  15  47.260   3.083  27.536
  160   1H5*    C  16          1H5*        C  16  46.793  -5.194  23.015
  161   2H5*    C  16          2H5*        C  16  48.329  -5.631  23.789
  162    H4*    C  16           H4*        C  16  47.777  -3.269  21.958
  163    H3*    C  16           H3*        C  16  48.910  -5.932  21.591
  164    H2*    C  16           H2*        C  16  51.133  -5.333  21.863
  165   2HO*    C  16          2HO*        C  16  50.288  -4.395  19.440
  166    H1*    C  16           H1*        C  16  50.619  -2.396  21.503
  167   1H4     C  16          1H4         C  16  56.072  -2.435  24.798
  168   2H4     C  16          2H4         C  16  55.476  -3.697  25.852
  169    H5     C  16           H5         C  16  53.291  -4.733  25.581
  170    H6     C  16           H6         C  16  51.247  -4.735  24.278
  171   1H5*    U  17          1H5*        U  17  47.199  -4.650  16.791
  172   2H5*    U  17          2H5*        U  17  48.482  -5.240  15.722
  173    H4*    U  17           H4*        U  17  47.885  -2.517  16.550
  174    H3*    U  17           H3*        U  17  49.385  -3.899  14.408
  175    H2*    U  17           H2*        U  17  51.409  -2.872  14.834
  176   2HO*    U  17          2HO*        U  17  50.788  -0.290  14.998
  177    H1*    U  17           H1*        U  17  50.314  -0.920  16.799
  178    H3     U  17           H3         U  17  54.958  -0.703  16.608
  179    H5     U  17           H5         U  17  53.973  -3.978  19.057
  180    H6     U  17           H6         U  17  51.654  -3.746  18.320
  181   1H5*    G  18          1H5*        G  18  45.086  -3.002  13.507
  182   2H5*    G  18          2H5*        G  18  44.689  -2.230  11.957
  183    H4*    G  18           H4*        G  18  43.122  -1.528  13.730
  184    H3*    G  18           H3*        G  18  44.861   0.403  12.269
  185    H2*    G  18           H2*        G  18  44.673   2.171  13.806
  186   2HO*    G  18          2HO*        G  18  42.867   2.522  14.945
  187    H1*    G  18           H1*        G  18  44.598   0.846  16.180
  188    H8     G  18           H8         G  18  47.134  -1.216  14.915
  189    H1     G  18           H1         G  18  49.334   4.745  14.745
  190   1H2     G  18          1H2         G  18  47.666   6.186  14.997
  191   2H2     G  18          2H2         G  18  46.005   5.679  15.208
  192   1H5*    A  19          1H5*        A  19  42.055   2.769  12.906
  193   2H5*    A  19          2H5*        A  19  40.750   2.839  11.705
  194    H4*    A  19           H4*        A  19  40.973   5.094  12.040
  195    H3*    A  19           H3*        A  19  43.069   4.309  10.004
  196    H2*    A  19           H2*        A  19  43.967   6.517  10.027
  197   2HO*    A  19          2HO*        A  19  42.887   8.149  11.369
  198    H1*    A  19           H1*        A  19  44.133   6.769  12.680
  199    H8     A  19           H8         A  19  44.391   3.109  11.748
  200   1H6     A  19          1H6         A  19  50.430   3.979  11.044
  201   2H6     A  19          2H6         A  19  49.149   2.790  11.115
  202    H2     A  19           H2         A  19  48.499   7.996  11.596
  203   1H5*    C  20          1H5*        C  20  41.855   7.999   8.726
  204   2H5*    C  20          2H5*        C  20  42.216   8.202   7.001
  205    H4*    C  20           H4*        C  20  43.705   9.414   8.805
  206    H3*    C  20           H3*        C  20  44.720   7.865   6.390
  207    H2*    C  20           H2*        C  20  46.897   8.586   6.971
  208   2HO*    C  20          2HO*        C  20  47.068  10.289   8.680
  209    H1*    C  20           H1*        C  20  46.492   8.506   9.752
  210   1H4     C  20          1H4         C  20  50.320   3.727   7.993
  211   2H4     C  20          2H4         C  20  48.930   2.662   8.042
  212    H5     C  20           H5         C  20  46.666   3.460   8.359
  213    H6     C  20           H6         C  20  45.256   5.447   8.678
  214   1H5*    U  21          1H5*        U  21  46.302  11.622   5.183
  215   2H5*    U  21          2H5*        U  21  46.411  11.583   3.411
  216    H4*    U  21           H4*        U  21  48.611  11.346   4.795
  217    H3*    U  21           H3*        U  21  47.717   9.670   2.440
  218    H2*    U  21           H2*        U  21  49.346   8.091   2.810
  219   2HO*    U  21          2HO*        U  21  51.344   9.232   4.072
  220    H1*    U  21           H1*        U  21  50.088   8.892   5.506
  221    H3     U  21           H3         U  21  50.543   4.363   5.166
  222    H5     U  21           H5         U  21  46.401   5.056   5.408
  223    H6     U  21           H6         U  21  46.857   7.432   5.131
  224   1H5*    U  22          1H5*        U  22  52.123  11.319   1.372
  225   2H5*    U  22          2H5*        U  22  52.104  11.172  -0.396
  226    H4*    U  22           H4*        U  22  53.969   9.918   0.848
  227    H3*    U  22           H3*        U  22  52.085   8.633  -1.160
  228    H2*    U  22           H2*        U  22  53.232   6.582  -0.884
  229   2HO*    U  22          2HO*        U  22  55.272   6.637   0.421
  230    H1*    U  22           H1*        U  22  53.677   6.753   1.831
  231    H3     U  22           H3         U  22  50.822   3.268   1.273
  232    H5     U  22           H5         U  22  48.410   6.691   0.912
  233    H6     U  22           H6         U  22  50.434   8.016   0.925
  234   1H5*    U  23          1H5*        U  23  56.261   7.759  -2.288
  235   2H5*    U  23          2H5*        U  23  56.500   8.404  -3.924
  236    H4*    U  23           H4*        U  23  57.505   6.276  -4.017
  237    H3*    U  23           H3*        U  23  54.677   6.259  -5.102
  238    H2*    U  23           H2*        U  23  54.792   3.930  -5.450
  239   2HO*    U  23          2HO*        U  23  56.609   2.960  -5.992
  240    H1*    U  23           H1*        U  23  56.210   3.220  -3.233
  241    H3     U  23           H3         U  23  52.219   1.367  -2.302
  242    H5     U  23           H5         U  23  51.444   5.504  -2.098
  243    H6     U  23           H6         U  23  53.698   5.900  -2.902
  244   1H5*    C  24          1H5*        C  24  57.153   4.333  -8.471
  245   2H5*    C  24          2H5*        C  24  56.270   4.830  -9.929
  246    H4*    C  24           H4*        C  24  56.444   2.332  -9.622
  247    H3*    C  24           H3*        C  24  53.763   3.756  -9.771
  248    H2*    C  24           H2*        C  24  52.668   1.659  -9.619
  249   2HO*    C  24          2HO*        C  24  55.123   0.246  -9.807
  250    H1*    C  24           H1*        C  24  54.323   0.517  -7.742
  251   1H4     C  24          1H4         C  24  49.298   2.785  -4.560
  252   2H4     C  24          2H4         C  24  49.916   4.414  -4.701
  253    H5     C  24           H5         C  24  51.896   4.973  -5.940
  254    H6     C  24           H6         C  24  53.726   4.093  -7.310
  255   1H5*    A  25          1H5*        A  25  54.309   0.407 -12.066
  256   2H5*    A  25          2H5*        A  25  53.274   0.070 -13.468
  257    H4*    A  25           H4*        A  25  53.170  -1.484 -11.330
  258    H3*    A  25           H3*        A  25  50.924  -0.467 -13.077
  259    H2*    A  25           H2*        A  25  49.300  -1.277 -11.639
  260   2HO*    A  25          2HO*        A  25  51.244  -3.147 -10.690
  261    H1*    A  25           H1*        A  25  50.809  -1.330  -9.231
  262    H8     A  25           H8         A  25  50.575   2.097 -10.567
  263   1H6     A  25          1H6         A  25  44.982   2.505  -7.980
  264   2H6     A  25          2H6         A  25  46.277   3.410  -8.733
  265    H2     A  25           H2         A  25  46.257  -1.801  -7.926
  266   1H5*    G  26          1H5*        G  26  51.627  -5.475 -12.923
  267   2H5*    G  26          2H5*        G  26  50.382  -6.100 -14.020
  268    H4*    G  26           H4*        G  26  50.583  -7.184 -11.677
  269    H3*    G  26           H3*        G  26  48.011  -6.188 -12.948
  270    H2*    G  26           H2*        G  26  46.814  -6.965 -11.028
  271   2HO*    G  26          2HO*        G  26  48.925  -8.669 -10.857
  272    H1*    G  26           H1*        G  26  48.491  -5.972  -9.164
  273    H8     G  26           H8         G  26  48.747  -3.379 -11.647
  274    H1     G  26           H1         G  26  42.915  -3.281  -9.154
  275   1H2     G  26          1H2         G  26  42.529  -5.137  -8.015
  276   2H2     G  26          2H2         G  26  43.714  -6.418  -7.866
  277   1H5*    C  27          1H5*        C  27  47.569  -9.650 -11.666
  278   2H5*    C  27          2H5*        C  27  47.137 -11.148 -12.516
  279    H4*    C  27           H4*        C  27  45.600 -11.099 -10.748
  280    H3*    C  27           H3*        C  27  44.417  -9.909 -13.272
  281    H2*    C  27           H2*        C  27  42.389  -9.417 -12.093
  282   2HO*    C  27          2HO*        C  27  41.826 -10.427 -10.266
  283    H1*    C  27           H1*        C  27  43.507  -8.325  -9.924
  284   1H4     C  27          1H4         C  27  43.103  -3.388 -13.895
  285   2H4     C  27          2H4         C  27  44.634  -3.833 -14.612
  286    H5     C  27           H5         C  27  45.813  -5.851 -14.053
  287    H6     C  27           H6         C  27  45.795  -7.881 -12.702
  288   1H5*    C  28          1H5*        C  28  41.768 -11.798 -11.930
  289   2H5*    C  28          2H5*        C  28  40.746 -12.988 -12.761
  290    H4*    C  28           H4*        C  28  39.246 -11.255 -12.210
  291    H3*    C  28           H3*        C  28  40.279 -10.868 -15.053
  292    H2*    C  28           H2*        C  28  38.756  -9.046 -15.237
  293   2HO*    C  28          2HO*        C  28  37.099 -10.375 -13.974
  294    H1*    C  28           H1*        C  28  39.213  -8.026 -12.709
  295   1H4     C  28          1H4         C  28  42.709  -4.685 -16.834
  296   2H4     C  28          2H4         C  28  43.967  -5.894 -16.766
  297    H5     C  28           H5         C  28  43.745  -7.969 -15.540
  298    H6     C  28           H6         C  28  42.263  -9.321 -14.165
  299   1H5*    C  29          1H5*        C  29  36.185 -10.975 -16.240
  300   2H5*    C  29          2H5*        C  29  36.033 -12.538 -17.068
  301    H4*    C  29           H4*        C  29  35.191 -11.151 -18.713
  302    H3*    C  29           H3*        C  29  38.210 -11.234 -19.079
  303    H2*    C  29           H2*        C  29  37.999  -9.716 -20.872
  304   2HO*    C  29          2HO*        C  29  35.228 -10.402 -20.854
  305    H1*    C  29           H1*        C  29  35.934  -8.185 -19.849
  306   1H4     C  29          1H4         C  29  41.089  -4.627 -18.892
  307   2H4     C  29          2H4         C  29  41.884  -5.908 -18.009
  308    H5     C  29           H5         C  29  40.895  -8.065 -17.649
  309    H6     C  29           H6         C  29  38.930  -9.470 -18.033
  310   1H5*    C  30          1H5*        C  30  35.899 -11.359 -22.922
  311   2H5*    C  30          2H5*        C  30  37.033 -11.798 -24.214
  312    H4*    C  30           H4*        C  30  36.052  -9.388 -24.201
  313    H3*    C  30           H3*        C  30  39.022  -9.997 -24.382
  314    H2*    C  30           H2*        C  30  39.364  -7.709 -24.796
  315   2HO*    C  30          2HO*        C  30  37.555  -7.609 -26.347
  316    H1*    C  30           H1*        C  30  37.361  -6.818 -23.044
  317   1H4     C  30          1H4         C  30  42.889  -5.756 -20.099
  318   2H4     C  30          2H4         C  30  43.193  -7.474 -19.967
  319    H5     C  30           H5         C  30  41.729  -9.145 -20.901
  320    H6     C  30           H6         C  30  39.674  -9.539 -22.160
  321    H3T    C  30           H3T        C  30  38.301 -10.613 -26.283
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  41.336   5.640 -21.985
    2   2H5*    G   1          2H5*        G   1  41.571   6.157 -20.303
    3    H4*    G   1           H4*        G   1  39.157   5.903 -21.002
    4    H3*    G   1           H3*        G   1  40.450   4.572 -18.644
    5    H2*    G   1           H2*        G   1  38.585   3.160 -18.205
    6   2HO*    G   1          2HO*        G   1  37.242   5.288 -19.149
    7    H1*    G   1           H1*        G   1  37.859   2.526 -20.737
    8    H8     G   1           H8         G   1  41.633   2.808 -20.238
    9    H1     G   1           H1         G   1  39.274  -3.000 -19.066
   10   1H2     G   1          1H2         G   1  37.058  -2.928 -19.125
   11   2H2     G   1          2H2         G   1  36.169  -1.458 -19.449
   12    H5T    G   1           H5T        G   1  42.461   3.956 -21.531
   13   1H5*    G   2          1H5*        G   2  37.269   5.093 -17.298
   14   2H5*    G   2          2H5*        G   2  36.903   5.979 -15.804
   15    H4*    G   2           H4*        G   2  36.273   3.831 -15.189
   16    H3*    G   2           H3*        G   2  39.196   4.236 -14.509
   17    H2*    G   2           H2*        G   2  39.426   2.001 -13.953
   18   2HO*    G   2          2HO*        G   2  36.779   2.346 -13.072
   19    H1*    G   2           H1*        G   2  37.211   0.963 -15.429
   20    H8     G   2           H8         G   2  40.295   2.629 -16.937
   21    H1     G   2           H1         G   2  40.974  -3.636 -15.983
   22   1H2     G   2          1H2         G   2  39.175  -4.431 -14.964
   23   2H2     G   2          2H2         G   2  37.816  -3.424 -14.522
   24   1H5*    G   3          1H5*        G   3  36.094   3.545 -11.136
   25   2H5*    G   3          2H5*        G   3  36.663   3.793  -9.474
   26    H4*    G   3           H4*        G   3  35.506   1.595  -9.823
   27    H3*    G   3           H3*        G   3  38.403   1.732  -8.920
   28    H2*    G   3           H2*        G   3  38.501  -0.616  -8.866
   29   2HO*    G   3          2HO*        G   3  35.716  -0.896  -9.275
   30    H1*    G   3           H1*        G   3  36.978  -1.151 -11.081
   31    H8     G   3           H8         G   3  39.340   1.627 -11.853
   32    H1     G   3           H1         G   3  42.174  -4.077 -11.947
   33   1H2     G   3          1H2         G   3  40.831  -5.610 -11.068
   34   2H2     G   3          2H2         G   3  39.238  -5.220 -10.458
   35   1H5*    C   4          1H5*        C   4  36.199  -1.262  -7.194
   36   2H5*    C   4          2H5*        C   4  36.023  -1.028  -5.443
   37    H4*    C   4           H4*        C   4  36.395  -3.359  -5.725
   38    H3*    C   4           H3*        C   4  38.851  -1.816  -4.854
   39    H2*    C   4           H2*        C   4  40.150  -3.805  -4.895
   40   2HO*    C   4          2HO*        C   4  39.106  -5.490  -4.121
   41    H1*    C   4           H1*        C   4  39.223  -4.819  -7.234
   42   1H4     C   4          1H4         C   4  44.234  -1.277  -8.924
   43   2H4     C   4          2H4         C   4  43.315   0.179  -8.678
   44    H5     C   4           H5         C   4  41.099   0.209  -7.818
   45    H6     C   4           H6         C   4  39.233  -1.142  -6.996
   46   1H5*    U   5          1H5*        U   5  38.838  -5.114  -1.984
   47   2H5*    U   5          2H5*        U   5  39.887  -4.575  -0.657
   48    H4*    U   5           H4*        U   5  40.789  -6.411  -2.254
   49    H3*    U   5           H3*        U   5  42.306  -3.873  -1.531
   50    H2*    U   5           H2*        U   5  44.160  -4.801  -2.711
   51   2HO*    U   5          2HO*        U   5  44.365  -6.934  -3.125
   52    H1*    U   5           H1*        U   5  42.709  -5.776  -4.831
   53    H3     U   5           H3         U   5  45.197  -2.372  -6.490
   54    H5     U   5           H5         U   5  42.082  -0.460  -4.437
   55    H6     U   5           H6         U   5  41.393  -2.620  -3.579
   56   1H5*    G   6          1H5*        G   6  44.680  -7.299  -0.624
   57   2H5*    G   6          2H5*        G   6  46.021  -6.919   0.474
   58    H4*    G   6           H4*        G   6  46.560  -7.532  -2.004
   59    H3*    G   6           H3*        G   6  47.682  -5.116  -0.523
   60    H2*    G   6           H2*        G   6  49.091  -4.786  -2.422
   61   2HO*    G   6          2HO*        G   6  48.830  -7.466  -2.629
   62    H1*    G   6           H1*        G   6  47.161  -5.348  -4.311
   63    H8     G   6           H8         G   6  45.329  -3.190  -2.009
   64    H1     G   6           H1         G   6  50.027   0.099  -4.788
   65   1H2     G   6          1H2         G   6  51.401  -1.292  -5.850
   66   2H2     G   6          2H2         G   6  51.180  -3.027  -5.835
   67   1H5*    U   7          1H5*        U   7  50.451  -6.737  -1.838
   68   2H5*    U   7          2H5*        U   7  51.702  -7.693  -1.019
   69    H4*    U   7           H4*        U   7  53.145  -6.379  -2.189
   70    H3*    U   7           H3*        U   7  52.249  -4.608   0.111
   71    H2*    U   7           H2*        U   7  53.451  -2.806  -0.831
   72   2HO*    U   7          2HO*        U   7  54.628  -4.624  -2.689
   73    H1*    U   7           H1*        U   7  52.800  -3.211  -3.434
   74    H3     U   7           H3         U   7  50.490   0.512  -2.411
   75    H5     U   7           H5         U   7  48.621  -2.445  -0.110
   76    H6     U   7           H6         U   7  50.310  -4.018  -0.844
   77   1H5*    U   8          1H5*        U   8  57.048  -4.392  -0.059
   78   2H5*    U   8          2H5*        U   8  57.382  -4.239   1.677
   79    H4*    U   8           H4*        U   8  58.486  -2.465   0.290
   80    H3*    U   8           H3*        U   8  56.421  -1.699   2.393
   81    H2*    U   8           H2*        U   8  56.915   0.589   1.927
   82   2HO*    U   8          2HO*        U   8  59.241  -0.526   0.820
   83    H1*    U   8           H1*        U   8  56.894   0.366  -0.784
   84    H3     U   8           H3         U   8  53.040   2.493   0.384
   85    H5     U   8           H5         U   8  52.290  -1.593   1.118
   86    H6     U   8           H6         U   8  54.638  -2.029   0.694
   87   1H5*    U   9          1H5*        U   9  59.663   1.022   2.556
   88   2H5*    U   9          2H5*        U   9  59.880   1.550   4.235
   89    H4*    U   9           H4*        U   9  59.253   3.337   2.457
   90    H3*    U   9           H3*        U   9  57.773   2.982   5.097
   91    H2*    U   9           H2*        U   9  56.567   4.944   4.560
   92   2HO*    U   9          2HO*        U   9  58.871   5.679   3.478
   93    H1*    U   9           H1*        U   9  56.420   4.456   1.799
   94    H3     U   9           H3         U   9  52.250   4.814   3.757
   95    H5     U   9           H5         U   9  53.419   0.781   4.147
   96    H6     U   9           H6         U   9  55.632   1.419   3.418
   97   1H5*    U  10          1H5*        U  10  60.187   6.849   6.228
   98   2H5*    U  10          2H5*        U  10  59.952   6.820   7.987
   99    H4*    U  10           H4*        U  10  58.785   8.680   6.507
  100    H3*    U  10           H3*        U  10  57.477   7.111   8.774
  101    H2*    U  10           H2*        U  10  55.587   8.509   8.469
  102   2HO*    U  10          2HO*        U  10  57.112  10.194   6.749
  103    H1*    U  10           H1*        U  10  55.775   8.681   5.687
  104    H3     U  10           H3         U  10  51.765   6.879   6.982
  105    H5     U  10           H5         U  10  54.501   3.680   7.076
  106    H6     U  10           H6         U  10  56.291   5.287   6.717
  107   1H5*    U  11          1H5*        U  11  56.532  11.462   9.244
  108   2H5*    U  11          2H5*        U  11  56.858  11.743  10.966
  109    H4*    U  11           H4*        U  11  54.587  12.518  10.268
  110    H3*    U  11           H3*        U  11  54.881  10.294  12.316
  111    H2*    U  11           H2*        U  11  52.532  10.232  12.523
  112   2HO*    U  11          2HO*        U  11  52.606  12.725  12.504
  113    H1*    U  11           H1*        U  11  51.885  10.755   9.890
  114    H3     U  11           H3         U  11  50.182   6.647  10.731
  115    H5     U  11           H5         U  11  54.342   6.021  10.530
  116    H6     U  11           H6         U  11  54.631   8.413  10.361
  117   1H5*    C  12          1H5*        C  12  52.578  13.612  14.695
  118   2H5*    C  12          2H5*        C  12  52.841  13.057  16.360
  119    H4*    C  12           H4*        C  12  50.410  13.071  15.432
  120    H3*    C  12           H3*        C  12  51.737  10.721  16.843
  121    H2*    C  12           H2*        C  12  49.676   9.579  16.730
  122   2HO*    C  12          2HO*        C  12  48.681  12.059  16.967
  123    H1*    C  12           H1*        C  12  48.924  10.479  14.206
  124   1H4     C  12          1H4         C  12  51.104   4.510  13.790
  125   2H4     C  12          2H4         C  12  52.748   5.091  13.824
  126    H5     C  12           H5         C  12  53.315   7.406  14.127
  127    H6     C  12           H6         C  12  52.438   9.638  14.494
  128   1H5*    U  13          1H5*        U  13  49.988   8.987  20.487
  129   2H5*    U  13          2H5*        U  13  50.643   8.742  18.855
  130    H4*    U  13           H4*        U  13  47.682   8.601  19.022
  131    H3*    U  13           H3*        U  13  49.476   6.696  20.581
  132    H2*    U  13           H2*        U  13  48.153   4.898  19.848
  133   2HO*    U  13          2HO*        U  13  46.118   6.809  19.226
  134    H1*    U  13           H1*        U  13  47.370   6.013  17.363
  135    H3     U  13           H3         U  13  49.182   1.691  17.372
  136    H5     U  13           H5         U  13  52.288   4.412  16.506
  137    H6     U  13           H6         U  13  50.809   6.208  17.147
  138   1H5*    C  14          1H5*        C  14  45.859   5.505  20.987
  139   2H5*    C  14          2H5*        C  14  45.253   5.276  22.640
  140    H4*    C  14           H4*        C  14  44.874   3.236  21.398
  141    H3*    C  14           H3*        C  14  47.067   3.184  23.492
  142    H2*    C  14           H2*        C  14  47.590   0.952  22.950
  143   2HO*    C  14          2HO*        C  14  46.150  -0.426  21.992
  144    H1*    C  14           H1*        C  14  47.212   1.092  20.219
  145   1H4     C  14          1H4         C  14  53.480   1.627  21.130
  146   2H4     C  14          2H4         C  14  53.281   3.281  21.665
  147    H5     C  14           H5         C  14  51.130   4.332  21.937
  148    H6     C  14           H6         C  14  48.706   4.016  21.751
  149   1H5*    G  15          1H5*        G  15  46.130   0.301  27.510
  150   2H5*    G  15          2H5*        G  15  47.141   1.511  26.693
  151    H4*    G  15           H4*        G  15  46.753  -1.290  25.594
  152    H3*    G  15           H3*        G  15  47.967  -0.968  28.019
  153    H2*    G  15           H2*        G  15  49.406   0.836  27.274
  154   2HO*    G  15          2HO*        G  15  51.453  -0.076  27.309
  155    H1*    G  15           H1*        G  15  50.078  -0.874  24.868
  156    H8     G  15           H8         G  15  51.902   0.472  23.702
  157    H1     G  15           H1         G  15  49.552   6.113  25.502
  158   1H2     G  15          1H2         G  15  47.744   5.816  26.747
  159   2H2     G  15          2H2         G  15  47.120   4.228  27.127
  160   1H5*    C  16          1H5*        C  16  46.466  -4.340  23.330
  161   2H5*    C  16          2H5*        C  16  47.957  -4.872  24.134
  162    H4*    C  16           H4*        C  16  47.605  -2.646  22.104
  163    H3*    C  16           H3*        C  16  48.616  -5.371  22.025
  164    H2*    C  16           H2*        C  16  50.847  -4.840  22.433
  165   2HO*    C  16          2HO*        C  16  50.926  -5.012  20.167
  166    H1*    C  16           H1*        C  16  50.471  -1.955  21.661
  167   1H4     C  16          1H4         C  16  55.845  -1.677  25.063
  168   2H4     C  16          2H4         C  16  55.249  -2.869  26.196
  169    H5     C  16           H5         C  16  53.077  -3.934  25.981
  170    H6     C  16           H6         C  16  51.035  -4.039  24.663
  171   1H5*    U  17          1H5*        U  17  47.816  -4.539  16.824
  172   2H5*    U  17          2H5*        U  17  49.370  -5.064  16.151
  173    H4*    U  17           H4*        U  17  48.361  -2.342  16.694
  174    H3*    U  17           H3*        U  17  50.100  -3.711  14.743
  175    H2*    U  17           H2*        U  17  52.021  -2.545  15.262
  176   2HO*    U  17          2HO*        U  17  51.240  -0.001  15.199
  177    H1*    U  17           H1*        U  17  50.654  -0.551  17.006
  178    H3     U  17           H3         U  17  55.284  -0.039  17.152
  179    H5     U  17           H5         U  17  54.284  -3.184  19.761
  180    H6     U  17           H6         U  17  52.028  -3.161  18.813
  181   1H5*    G  18          1H5*        G  18  45.752  -3.255  13.792
  182   2H5*    G  18          2H5*        G  18  45.286  -2.612  12.203
  183    H4*    G  18           H4*        G  18  43.690  -1.944  13.989
  184    H3*    G  18           H3*        G  18  45.187  -0.001  12.298
  185    H2*    G  18           H2*        G  18  44.876   1.874  13.671
  186   2HO*    G  18          2HO*        G  18  42.550   0.491  14.357
  187    H1*    G  18           H1*        G  18  44.974   0.773  16.158
  188    H8     G  18           H8         G  18  47.693  -1.118  15.014
  189    H1     G  18           H1         G  18  49.263   5.013  14.417
  190   1H2     G  18          1H2         G  18  47.444   6.286  14.524
  191   2H2     G  18          2H2         G  18  45.841   5.621  14.751
  192   1H5*    A  19          1H5*        A  19  41.783   1.889  12.602
  193   2H5*    A  19          2H5*        A  19  40.581   1.685  11.311
  194    H4*    A  19           H4*        A  19  40.483   3.974  11.504
  195    H3*    A  19           H3*        A  19  42.745   3.315   9.605
  196    H2*    A  19           H2*        A  19  43.340   5.624   9.467
  197   2HO*    A  19          2HO*        A  19  41.927   7.171   9.868
  198    H1*    A  19           H1*        A  19  43.411   6.080  12.088
  199    H8     A  19           H8         A  19  44.095   2.406  11.457
  200   1H6     A  19          1H6         A  19  50.015   3.898  10.737
  201   2H6     A  19          2H6         A  19  48.876   2.579  10.890
  202    H2     A  19           H2         A  19  47.637   7.700  10.969
  203   1H5*    C  20          1H5*        C  20  41.103   6.564   8.144
  204   2H5*    C  20          2H5*        C  20  41.349   6.828   6.407
  205    H4*    C  20           H4*        C  20  42.716   8.287   8.051
  206    H3*    C  20           H3*        C  20  43.971   6.672   5.793
  207    H2*    C  20           H2*        C  20  46.011   7.764   6.318
  208   2HO*    C  20          2HO*        C  20  45.831   9.837   6.703
  209    H1*    C  20           H1*        C  20  45.590   7.813   9.086
  210   1H4     C  20          1H4         C  20  49.997   3.427   7.681
  211   2H4     C  20          2H4         C  20  48.751   2.205   7.831
  212    H5     C  20           H5         C  20  46.405   2.737   8.098
  213    H6     C  20           H6         C  20  44.756   4.548   8.262
  214   1H5*    U  21          1H5*        U  21  45.178  10.485   4.467
  215   2H5*    U  21          2H5*        U  21  45.327  10.408   2.699
  216    H4*    U  21           H4*        U  21  47.511  10.531   4.096
  217    H3*    U  21           H3*        U  21  46.895   8.591   1.857
  218    H2*    U  21           H2*        U  21  48.796   7.353   2.292
  219   2HO*    U  21          2HO*        U  21  50.530   8.834   3.553
  220    H1*    U  21           H1*        U  21  49.307   8.317   4.968
  221    H3     U  21           H3         U  21  50.313   3.864   4.785
  222    H5     U  21           H5         U  21  46.115   4.082   5.001
  223    H6     U  21           H6         U  21  46.294   6.472   4.616
  224   1H5*    U  22          1H5*        U  22  50.954  10.796   0.724
  225   2H5*    U  22          2H5*        U  22  51.030  10.557  -1.032
  226    H4*    U  22           H4*        U  22  52.983   9.628   0.391
  227    H3*    U  22           H3*        U  22  51.438   8.055  -1.699
  228    H2*    U  22           H2*        U  22  52.850   6.198  -1.292
  229   2HO*    U  22          2HO*        U  22  54.779   7.634  -1.292
  230    H1*    U  22           H1*        U  22  53.100   6.509   1.447
  231    H3     U  22           H3         U  22  50.913   2.580   0.750
  232    H5     U  22           H5         U  22  47.977   5.556   0.296
  233    H6     U  22           H6         U  22  49.754   7.200   0.381
  234   1H5*    U  23          1H5*        U  23  55.818   7.830  -2.835
  235   2H5*    U  23          2H5*        U  23  55.854   8.383  -4.521
  236    H4*    U  23           H4*        U  23  57.119   6.369  -4.504
  237    H3*    U  23           H3*        U  23  54.289   6.035  -5.527
  238    H2*    U  23           H2*        U  23  54.615   3.724  -5.772
  239   2HO*    U  23          2HO*        U  23  57.278   3.481  -5.262
  240    H1*    U  23           H1*        U  23  56.240   3.258  -3.606
  241    H3     U  23           H3         U  23  52.584   0.868  -2.502
  242    H5     U  23           H5         U  23  51.201   4.852  -2.463
  243    H6     U  23           H6         U  23  53.364   5.541  -3.313
  244   1H5*    C  24          1H5*        C  24  57.048   4.050  -8.749
  245   2H5*    C  24          2H5*        C  24  56.108   4.358 -10.223
  246    H4*    C  24           H4*        C  24  56.592   1.913  -9.760
  247    H3*    C  24           H3*        C  24  53.775   3.009 -10.050
  248    H2*    C  24           H2*        C  24  52.904   0.828  -9.759
  249   2HO*    C  24          2HO*        C  24  55.262  -0.589  -9.653
  250    H1*    C  24           H1*        C  24  54.673  -0.029  -7.816
  251   1H4     C  24          1H4         C  24  49.396   1.750  -4.722
  252   2H4     C  24          2H4         C  24  49.781   3.435  -4.986
  253    H5     C  24           H5         C  24  51.659   4.174  -6.288
  254    H6     C  24           H6         C  24  53.589   3.464  -7.618
  255   1H5*    A  25          1H5*        A  25  54.574  -0.551 -12.103
  256   2H5*    A  25          2H5*        A  25  53.511  -0.934 -13.472
  257    H4*    A  25           H4*        A  25  53.491  -2.452 -11.311
  258    H3*    A  25           H3*        A  25  51.136  -1.482 -12.955
  259    H2*    A  25           H2*        A  25  49.634  -2.422 -11.446
  260   2HO*    A  25          2HO*        A  25  51.705  -4.125 -10.467
  261    H1*    A  25           H1*        A  25  51.290  -2.372  -9.131
  262    H8     A  25           H8         A  25  50.728   1.033 -10.477
  263   1H6     A  25          1H6         A  25  45.359   1.108  -7.444
  264   2H6     A  25          2H6         A  25  46.528   2.083  -8.309
  265    H2     A  25           H2         A  25  46.916  -3.106  -7.459
  266   1H5*    G  26          1H5*        G  26  51.976  -6.115 -12.174
  267   2H5*    G  26          2H5*        G  26  51.546  -6.891 -13.711
  268    H4*    G  26           H4*        G  26  50.872  -8.443 -12.055
  269    H3*    G  26           H3*        G  26  48.574  -6.771 -13.105
  270    H2*    G  26           H2*        G  26  47.079  -7.855 -11.606
  271   2HO*    G  26          2HO*        G  26  48.282  -9.642 -10.251
  272    H1*    G  26           H1*        G  26  48.631  -7.814  -9.409
  273    H8     G  26           H8         G  26  49.418  -4.685 -11.111
  274    H1     G  26           H1         G  26  43.633  -4.389  -8.522
  275   1H2     G  26          1H2         G  26  42.979  -6.417  -7.891
  276   2H2     G  26          2H2         G  26  43.974  -7.839  -8.108
  277   1H5*    C  27          1H5*        C  27  47.466 -10.793 -12.714
  278   2H5*    C  27          2H5*        C  27  46.669 -11.460 -14.153
  279    H4*    C  27           H4*        C  27  45.352 -11.936 -12.130
  280    H3*    C  27           H3*        C  27  44.234 -10.052 -14.221
  281    H2*    C  27           H2*        C  27  42.251  -9.768 -12.904
  282   2HO*    C  27          2HO*        C  27  41.756 -11.103 -11.192
  283    H1*    C  27           H1*        C  27  43.459  -9.346 -10.560
  284   1H4     C  27          1H4         C  27  43.334  -3.559 -13.156
  285   2H4     C  27          2H4         C  27  44.843  -3.888 -13.974
  286    H5     C  27           H5         C  27  45.905  -6.045 -13.954
  287    H6     C  27           H6         C  27  45.763  -8.343 -13.162
  288   1H5*    C  28          1H5*        C  28  41.555 -12.073 -13.377
  289   2H5*    C  28          2H5*        C  28  40.435 -13.013 -14.384
  290    H4*    C  28           H4*        C  28  39.031 -11.389 -13.450
  291    H3*    C  28           H3*        C  28  40.072 -10.364 -16.127
  292    H2*    C  28           H2*        C  28  38.649  -8.476 -15.831
  293   2HO*    C  28          2HO*        C  28  37.169  -8.488 -13.949
  294    H1*    C  28           H1*        C  28  39.184  -8.126 -13.145
  295   1H4     C  28          1H4         C  28  42.906  -4.093 -16.353
  296   2H4     C  28          2H4         C  28  44.091  -5.360 -16.588
  297    H5     C  28           H5         C  28  43.722  -7.652 -15.918
  298    H6     C  28           H6         C  28  42.146  -9.212 -14.913
  299   1H5*    C  29          1H5*        C  29  36.130 -10.281 -16.440
  300   2H5*    C  29          2H5*        C  29  35.316 -11.426 -17.525
  301    H4*    C  29           H4*        C  29  34.234  -9.495 -18.162
  302    H3*    C  29           H3*        C  29  36.790  -9.645 -19.802
  303    H2*    C  29           H2*        C  29  36.234  -7.571 -20.797
  304   2HO*    C  29          2HO*        C  29  33.721  -8.444 -20.358
  305    H1*    C  29           H1*        C  29  35.236  -6.332 -18.565
  306   1H4     C  29          1H4         C  29  41.175  -4.168 -18.975
  307   2H4     C  29          2H4         C  29  41.836  -5.775 -18.772
  308    H5     C  29           H5         C  29  40.470  -7.742 -18.559
  309    H6     C  29           H6         C  29  38.179  -8.605 -18.480
  310   1H5*    C  30          1H5*        C  30  33.390  -8.007 -22.070
  311   2H5*    C  30          2H5*        C  30  33.811  -8.079 -23.792
  312    H4*    C  30           H4*        C  30  33.644  -5.745 -22.662
  313    H3*    C  30           H3*        C  30  36.044  -6.658 -24.282
  314    H2*    C  30           H2*        C  30  36.879  -4.474 -24.101
  315   2HO*    C  30          2HO*        C  30  35.611  -2.711 -23.684
  316    H1*    C  30           H1*        C  30  35.934  -4.027 -21.494
  317   1H4     C  30          1H4         C  30  42.208  -4.907 -21.037
  318   2H4     C  30          2H4         C  30  42.042  -6.589 -21.488
  319    H5     C  30           H5         C  30  39.933  -7.586 -22.102
  320    H6     C  30           H6         C  30  37.547  -7.193 -22.424
  321    H3T    C  30           H3T        C  30  33.543  -5.424 -24.744