*HEADER    RNA                                     28-JUN-07   2JRQ              
*TITLE     NMR SOLUTION STRUCTURE OF THE ANTICODON OF E. COLI TRNA-              
*TITLE    2 VAL3 WITH 1 MODIFICATION (CMO5U34)                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)                           
*COMPND   3 P*AP*CP*AP*AP*GP*GP*AP*GP*G)-3';                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    E.COLI, VALINE, TRNA, ANTICODON STEM LOOP, TRNA DOMAIN, RNA           
*KEYWDS   2 HAIRPIN, URIDINE 5-OXYACETIC ACID, CMO5U                             
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    F.A.P.VENDEIX, A.DZIERGOWSKA, E.M.GUSTILO, W.D.GRAHAM,                
*AUTHOR   2 B.SPROAT, A.MALKIEWICZ, P.F.AGRIS                                    
*REVDAT   1   24-JUL-07 2JRQ    0                                                


!H-bonds restraints

! for C27/ G43  base pair
assign (resid 43 and name N1)  (resid 27 and name N3)    2.91 0.1 0.1  
assign (resid 43 and name O6)  (resid 27 and name N4)    2.71 0.1 0.1  
assign (resid 43 and name N2)  (resid 27 and name O2)    3.08 0.1 0.1  
assign (resid 43 and name H1)  (resid 27 and name N3)    1.89 0.1 0.1  
assign (resid 43 and name O6)  (resid 27 and name H42)   1.71 0.1 0.1  
assign (resid 43 and name H22) (resid 27 and name O2)    2.08 0.1 0.1  

!
! for C28/ G42  base pair
assign (resid 42 and name N1)  (resid 28 and name N3)    2.91 0.1 0.1 
assign (resid 42 and name O6)  (resid 28 and name N4)    2.71 0.1 0.1
assign (resid 42 and name N2)  (resid 28 and name O2)    3.08 0.1 0.1
assign (resid 42 and name H1)  (resid 28 and name N3)    1.89 0.1 0.1  
assign (resid 42 and name O6)  (resid 28 and name H42)   1.71 0.1 0.1 
assign (resid 42 and name H22) (resid 28 and name O2)    2.08 0.1 0.1  

! 
! for U29/ A41 base pair
assign (resid 41 and name N1)  (resid  29 and name N3)   2.95 0.1 0.1
assign (resid 41 and name N6)  (resid  29 and name O4)   2.83 0.1 0.1 
assign (resid 41 and name N1)  (resid  29 and name H3)   1.93 0.1 0.1 
assign (resid 41 and name H62) (resid  29 and name O4)   1.82 0.1 0.1

!
! for C30/ G40  base pair
assign (resid 40 and name N1)  (resid 30 and name N3)    2.91 0.1 0.1
assign (resid 40 and name O6)  (resid 30 and name N4)    2.71 0.1 0.1
assign (resid 40 and name N2)  (resid 30 and name O2)    3.08 0.1 0.1
assign (resid 40 and name H1)  (resid 30 and name N3)    1.89 0.1 0.1 
assign (resid 40 and name O6)  (resid 30 and name H42)   1.71 0.1 0.1  
assign (resid 40 and name H22) (resid 30 and name O2)    2.08 0.1 0.1 

!
! for C31/ G39  base pair
assign (resid 39 and name N1)  (resid 31 and name N3)    2.91 0.1 0.1 
assign (resid 39 and name O6)  (resid 31 and name N4)    2.71 0.1 0.1 
assign (resid 39 and name N2)  (resid 31 and name O2)    3.08 0.1 0.1
assign (resid 39 and name H1)  (resid 31 and name N3)    1.89 0.1 0.1 
assign (resid 39 and name O6)  (resid 31 and name H42)   1.71 0.1 0.1
assign (resid 39 and name H22) (resid 31 and name O2)    2.08 0.1 0.1

!base pair planarity

! C27-G43 WC
!--------------------------------------------------------------------
group
selection=     ((resid  27 and name N1) or (resid  27 and name N3) or
  (resid  27 and name C5) or (resid 43 and name N1) or
   (resid 43 and name N3) or (resid 43 and name C5))
weight = $pscale end


! C28-G42 WC
!--------------------------------------------------------------------
group
selection=     ((resid  28 and name N1) or (resid  28 and name N3) or
  (resid  28 and name C5) or (resid 42 and name N1) or
   (resid 42 and name N3) or (resid 42 and name C5))
weight = $pscale end


! U29-A41 WC
!--------------------------------------------------------------------
group
selection=     ((resid  29 and name N1) or (resid  29 and name N3) or
  (resid  29 and name C5) or (resid 41 and name N1) or
   (resid 41 and name N3) or (resid 41 and name C5))
weight = $pscale end


! C30-G40 WC
!--------------------------------------------------------------------
group
selection=     ((resid  30 and name N1) or (resid  30 and name N3) or
  (resid  30 and name C5) or (resid 40 and name N1) or
   (resid 40 and name N3) or (resid 40 and name C5))
weight = $pscale end


!C31-G39 WC
!--------------------------------------------------------------------
group
selection=     ((resid  31 and name N1) or (resid  31 and name N3) or
  (resid  31 and name C5) or (resid 39 and name N1) or
   (resid 39 and name N3) or (resid 39 and name C5))
weight = $pscale end

!C32-A38 WC
!--------------------------------------------------------------------
!group
!selection=     ((resid  31 and name N1) or (resid  31 and name N3) or
  !(resid  31 and name C5) or (resid 39 and name N1) or
   !(resid 39 and name N3) or (resid 39 and name C5))
!weight = $pscale end

!Stem restraints  

assign (resid 27 and name H1') (resid 27 and name H2') 2.805 0.1 0.1
assign (resid 27 and name H1') (resid 27 and name H3') 3.857 0.1 0.1
assign (resid 27 and name H1') (resid 27 and name H4') 3.398 0.1 0.1
assign (resid 27 and name H1') (resid 27 and name H5') 4.577 0.1 0.1
assign (resid 27 and name H1') (resid 27 and name HO2') 2.989 0.1 0.1
assign (resid 27 and name H1') (resid 27 and name H6) 3.520 0.1 0.1
assign (resid 27 and name H1') (resid 28 and name H5') 4.676 0.1 0.1
assign (resid 27 and name H1') (resid 28 and name H6) 4.297 0.1 0.1
assign (resid 27 and name H1') (resid 28 and name H5) 4.979 0.1 0.1
assign (resid 27 and name H2') (resid 27 and name H3') 2.425 0.1 0.1
assign (resid 27 and name H2') (resid 27 and name H4') 3.813 0.1 0.1
assign (resid 27 and name H2') (resid 27 and name HO2') 2.192 0.1 0.1
assign (resid 27 and name H2') (resid 27 and name H6) 3.999 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H1') 4.193 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H3') 4.263 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H4') 4.441 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H5') 2.890 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H5'') 4.268 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H6) 1.583 0.1 0.1
assign (resid 27 and name H2') (resid 28 and name H5) 3.089 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name H4') 3.007 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name H5') 3.687 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name H5'') 3.085 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name HO2') 3.993 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name H6) 2.988 0.1 0.1
assign (resid 27 and name H3') (resid 27 and name H5) 4.769 0.1 0.1
assign (resid 27 and name H3') (resid 28 and name H5') 3.958 0.1 0.1
assign (resid 27 and name H3') (resid 28 and name H5'') 4.908 0.1 0.1
assign (resid 27 and name H3') (resid 28 and name H6) 3.104 0.1 0.1
assign (resid 27 and name H3') (resid 28 and name H5) 3.313 0.1 0.1
assign (resid 27 and name H4') (resid 27 and name H5') 2.534 0.1 0.1
assign (resid 27 and name H4') (resid 27 and name H5'') 2.370 0.1 0.1
assign (resid 27 and name H4') (resid 27 and name HO2') 3.778 0.1 0.1
assign (resid 27 and name H4') (resid 27 and name H6) 4.053 0.1 0.1
assign (resid 27 and name H4') (resid 28 and name H5') 4.167 0.1 0.1
assign (resid 27 and name H5') (resid 27 and name H5'') 1.776 0.1 0.1
assign (resid 27 and name H5') (resid 27 and name H6) 3.241 0.1 0.1
assign (resid 27 and name H5'')(resid 27 and name H6) 4.055 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H1') 4.151 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H3') 4.845 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H4') 3.522 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H5') 1.994 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H5'') 3.738 0.1 0.1
assign (resid 27 and name HO2')(resid 28 and name H6) 3.221 0.1 0.1
assign (resid 27 and name H41) (resid 27 and name H42) 1.784 0.1 0.1
assign (resid 27 and name H41) (resid 27 and name H6) 4.651 0.1 0.1
assign (resid 27 and name H41) (resid 27 and name H5) 2.426 0.1 0.1
assign (resid 27 and name H41) (resid 28 and name H41) 3.221 0.1 0.1
assign (resid 27 and name H41) (resid 28 and name H42) 4.124 0.1 0.1
assign (resid 27 and name H41) (resid 28 and name H5) 4.475 0.1 0.1
assign (resid 27 and name H42) (resid 27 and name H5) 3.708 0.1 0.1
assign (resid 27 and name H42) (resid 28 and name H41) 3.066 0.1 0.1
assign (resid 27 and name H42) (resid 28 and name H42) 3.264 0.1 0.1
assign (resid 27 and name H42) (resid 28 and name H5) 4.393 0.1 0.1
assign (resid 27 and name H6)  (resid 27 and name H5) 2.457 0.1 0.1
assign (resid 27 and name H6)  (resid 28 and name H6) 4.951 0.1 0.1
assign (resid 27 and name H6)  (resid 28 and name H5) 4.001 0.1 0.1
assign (resid 27 and name H5)  (resid 28 and name H41) 4.046 0.1 0.1
assign (resid 27 and name H5)  (resid 28 and name H5) 3.995 0.1 0.1
!---------------------------------------------------------------------

assign (resid 28 and name H1') (resid 28 and name H2') 2.805 0.1 0.1
assign (resid 28 and name H1') (resid 28 and name H3') 3.857 0.1 0.1
assign (resid 28 and name H1') (resid 28 and name H4') 3.398 0.1 0.1
assign (resid 28 and name H1') (resid 28 and name H5') 4.577 0.1 0.1
assign (resid 28 and name H1') (resid 28 and name HO2') 2.989 0.1 0.1
assign (resid 28 and name H1') (resid 28 and name H6) 3.521 0.1 0.1
assign (resid 28 and name H1') (resid 29 and name H5') 4.677 0.1 0.1
assign (resid 28 and name H1') (resid 29 and name H6) 4.282 0.1 0.1
assign (resid 28 and name H1') (resid 29 and name H5) 4.941 0.1 0.1
assign (resid 28 and name H2') (resid 28 and name H3') 2.425 0.1 0.1
assign (resid 28 and name H2') (resid 28 and name H4') 3.813 0.1 0.1
assign (resid 28 and name H2') (resid 28 and name HO2') 2.193 0.1 0.1
assign (resid 28 and name H2') (resid 28 and name H6) 4.000 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H1') 4.192 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H3') 4.263 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H4') 4.441 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H5') 2.891 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H5'') 4.268 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H6) 1.566 0.1 0.1
assign (resid 28 and name H2') (resid 29 and name H5) 3.030 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name H4') 3.007 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name H5') 3.686 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name H5'') 3.085 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name HO2') 3.993 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name H6) 2.989 0.1 0.1
assign (resid 28 and name H3') (resid 28 and name H5) 4.769 0.1 0.1
assign (resid 28 and name H3') (resid 29 and name H5') 3.958 0.1 0.1
assign (resid 28 and name H3') (resid 29 and name H5'') 4.907 0.1 0.1
assign (resid 28 and name H3') (resid 29 and name H6) 3.100 0.1 0.1
assign (resid 28 and name H3') (resid 29 and name H5) 3.248 0.1 0.1
assign (resid 28 and name H4') (resid 28 and name H5') 2.534 0.1 0.1
assign (resid 28 and name H4') (resid 28 and name H5'') 2.370 0.1 0.1
assign (resid 28 and name H4') (resid 28 and name HO2') 3.778 0.1 0.1
assign (resid 28 and name H4') (resid 28 and name H6) 4.053 0.1 0.1
assign (resid 28 and name H4') (resid 29 and name H5') 4.167 0.1 0.1
assign (resid 28 and name H5') (resid 28 and name H5'') 1.776 0.1 0.1
assign (resid 28 and name H5') (resid 28 and name H6) 3.241 0.1 0.1
assign (resid 28 and name H5'')(resid 28 and name H6) 4.056 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H1') 4.151 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H3') 4.845 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H4') 3.521 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H5') 1.994 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H5'') 3.738 0.1 0.1
assign (resid 28 and name HO2')(resid 29 and name H6) 3.200 0.1 0.1
assign (resid 28 and name H41) (resid 28 and name H42) 1.784 0.1 0.1
assign (resid 28 and name H41) (resid 28 and name H6) 4.650 0.1 0.1
assign (resid 28 and name H41) (resid 28 and name H5) 2.425 0.1 0.1
assign (resid 28 and name H41) (resid 29 and name H5) 4.531 0.1 0.1
assign (resid 28 and name H42) (resid 28 and name H5) 3.708 0.1 0.1
assign (resid 28 and name H42) (resid 29 and name H3) 4.568 0.1 0.1
assign (resid 28 and name H42) (resid 29 and name H5) 4.454 0.1 0.1
assign (resid 28 and name H6)  (resid 28 and name H5) 2.456 0.1 0.1
assign (resid 28 and name H6)  (resid 29 and name H6) 4.950 0.1 0.1
assign (resid 28 and name H6)  (resid 29 and name H5) 3.980 0.1 0.1
assign (resid 28 and name H5)  (resid 29 and name H5) 4.017 0.1 0.1
!--------------------------------

assign (resid 29 and name H1') (resid 29 and name H2') 2.805 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name H3') 3.857 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name H4') 3.397 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name H5') 4.576 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name HO2') 2.990 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name H3) 4.622 0.1 0.1
assign (resid 29 and name H1') (resid 29 and name H6) 3.514 0.1 0.1
assign (resid 29 and name H1') (resid 30 and name H5') 4.677 0.1 0.1
assign (resid 29 and name H1') (resid 30 and name H6) 4.320 0.1 0.1
assign (resid 29 and name H2') (resid 29 and name H3') 2.425 0.1 0.1
assign (resid 29 and name H2') (resid 29 and name H4') 3.813 0.1 0.1
assign (resid 29 and name H2') (resid 29 and name HO2') 2.193 0.1 0.1
assign (resid 29 and name H2') (resid 29 and name H3) 4.540 0.1 0.1
assign (resid 29 and name H2') (resid 29 and name H6) 4.005 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H1') 4.192 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H3') 4.263 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H4') 4.442 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H5') 2.891 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H5'') 4.268 0.1 0.1
assign (resid 29 and name H2') (resid 30 and name H6) 1.673 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name H4') 3.007 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name H5') 3.686 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name H5'') 3.085 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name HO2') 3.993 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name H6) 2.992 0.1 0.1
assign (resid 29 and name H3') (resid 29 and name H5) 4.723 0.1 0.1
assign (resid 29 and name H3') (resid 30 and name H5') 3.958 0.1 0.1
assign (resid 29 and name H3') (resid 30 and name H5'') 4.908 0.1 0.1
assign (resid 29 and name H3') (resid 30 and name H6) 3.024 0.1 0.1
assign (resid 29 and name H4') (resid 29 and name H5') 2.533 0.1 0.1
assign (resid 29 and name H4') (resid 29 and name H5'') 2.370 0.1 0.1
assign (resid 29 and name H4') (resid 29 and name HO2') 3.778 0.1 0.1
assign (resid 29 and name H4') (resid 29 and name H6) 4.039 0.1 0.1
assign (resid 29 and name H4') (resid 30 and name H5') 4.167 0.1 0.1
assign (resid 29 and name H5') (resid 29 and name H5'') 1.776 0.1 0.1
assign (resid 29 and name H5') (resid 29 and name H6) 3.223 0.1 0.1
assign (resid 29 and name H5'')(resid 29 and name H6) 4.044 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H1') 4.151 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H3') 4.845 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H4') 3.521 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H5') 1.995 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H5'') 3.738 0.1 0.1
assign (resid 29 and name HO2')(resid 30 and name H6) 3.22 0.1 0.1
assign (resid 29 and name H3)  (resid 29 and name H6) 4.817 0.1 0.1
assign (resid 29 and name H3)  (resid 29 and name H5) 4.231 0.1 0.1
assign (resid 29 and name H3)  (resid 30 and name H6) 4.402 0.1 0.1
assign (resid 29 and name H6)  (resid 29 and name H5) 2.416 0.1 0.1
assign (resid 29 and name H6)  (resid 30 and name H6) 4.950 0.1 0.1


assign (resid 30 and name H1') (resid 30 and name H2') 2.805 0.1 0.1
assign (resid 30 and name H1') (resid 30 and name H3') 3.857 0.1 0.1
assign (resid 30 and name H1') (resid 30 and name H4') 3.398 0.1 0.1
assign (resid 30 and name H1') (resid 30 and name H5') 4.577 0.1 0.1
assign (resid 30 and name H1') (resid 30 and name HO2') 2.989 0.1 0.1
assign (resid 30 and name H1') (resid 30 and name H6) 3.520 0.1 0.1
assign (resid 30 and name H1') (resid 31 and name H5') 4.676 0.1 0.1
assign (resid 30 and name H1') (resid 31 and name H6) 4.297 0.1 0.1
assign (resid 30 and name H1') (resid 31 and name H5) 4.979 0.1 0.1
assign (resid 30 and name H2') (resid 30 and name H3') 2.425 0.1 0.1
assign (resid 30 and name H2') (resid 30 and name H4') 3.813 0.1 0.1
assign (resid 30 and name H2') (resid 30 and name HO2') 2.192 0.1 0.1
assign (resid 30 and name H2') (resid 30 and name H6) 3.999 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H1') 4.193 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H3') 4.263 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H4') 4.441 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H5') 2.890 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H5'') 4.268 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H6) 1.583 0.1 0.1
assign (resid 30 and name H2') (resid 31 and name H5) 3.089 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name H4') 3.007 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name H5') 3.687 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name H5'') 3.085 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name HO2') 3.993 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name H6) 2.988 0.1 0.1
assign (resid 30 and name H3') (resid 30 and name H5) 4.769 0.1 0.1
assign (resid 30 and name H3') (resid 31 and name H5') 3.958 0.1 0.1
assign (resid 30 and name H3') (resid 31 and name H5'') 4.908 0.1 0.1
assign (resid 30 and name H3') (resid 31 and name H6) 3.104 0.1 0.1
assign (resid 30 and name H3') (resid 31 and name H5) 3.313 0.1 0.1
assign (resid 30 and name H4') (resid 30 and name H5') 2.534 0.1 0.1
assign (resid 30 and name H4') (resid 30 and name H5'') 2.370 0.1 0.1
assign (resid 30 and name H4') (resid 30 and name HO2') 3.778 0.1 0.1
assign (resid 30 and name H4') (resid 30 and name H6) 4.053 0.1 0.1
assign (resid 30 and name H4') (resid 31 and name H5') 4.167 0.1 0.1
assign (resid 30 and name H5') (resid 30 and name H5'') 1.776 0.1 0.1
assign (resid 30 and name H5') (resid 30 and name H6) 3.241 0.1 0.1
assign (resid 30 and name H5'')(resid 30 and name H6) 4.055 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H1') 4.151 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H3') 4.845 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H4') 3.522 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H5') 1.994 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H5'') 3.738 0.1 0.1
assign (resid 30 and name HO2')(resid 31 and name H6) 3.221 0.1 0.1
assign (resid 30 and name H41) (resid 30 and name H42) 1.784 0.1 0.1
assign (resid 30 and name H41) (resid 30 and name H6) 4.651 0.1 0.1
assign (resid 30 and name H41) (resid 30 and name H5) 2.426 0.1 0.1
assign (resid 30 and name H41) (resid 31 and name H41) 3.221 0.1 0.1
assign (resid 30 and name H41) (resid 31 and name H42) 4.124 0.1 0.1
assign (resid 30 and name H41) (resid 31 and name H5) 4.475 0.1 0.1
assign (resid 30 and name H42) (resid 30 and name H5) 3.708 0.1 0.1
assign (resid 30 and name H42) (resid 31 and name H41) 3.066 0.1 0.1
assign (resid 30 and name H42) (resid 31 and name H42) 3.264 0.1 0.1
assign (resid 30 and name H42) (resid 31 and name H5) 4.393 0.1 0.1
assign (resid 30 and name H6)  (resid 30 and name H5) 2.457 0.1 0.1
assign (resid 30 and name H6)  (resid 31 and name H6) 4.951 0.1 0.1
assign (resid 30 and name H6)  (resid 31 and name H5) 4.001 0.1 0.1
assign (resid 30 and name H5)  (resid 31 and name H41) 4.046 0.1 0.1
assign (resid 30 and name H5)  (resid 31 and name H5) 3.995 0.1 0.1

assign (resid 39 and name H1') (resid 39 and name H2') 2.805 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name H3') 3.857 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name H4') 3.398 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name H5') 4.577 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name HO2') 2.565 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name H21) 4.774 0.1 0.1
assign (resid 39 and name H1') (resid 39 and name H8) 3.727 0.1 0.1
assign (resid 39 and name H1') (resid 40 and name H5') 4.677 0.1 0.1
assign (resid 39 and name H1') (resid 40 and name H8) 4.319 0.1 0.1
assign (resid 39 and name H2') (resid 39 and name H3') 2.425 0.1 0.1
assign (resid 39 and name H2') (resid 39 and name H4') 3.813 0.1 0.1
assign (resid 39 and name H2') (resid 39 and name HO2') 2.947 0.1 0.1
assign (resid 39 and name H2') (resid 39 and name H21) 4.701 0.1 0.1
assign (resid 39 and name H2') (resid 39 and name H8) 4.149 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H1') 4.192 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H3') 4.263 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H4') 4.442 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H5') 2.891 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H5'') 4.268 0.1 0.1
assign (resid 39 and name H2') (resid 40 and name H8) 1.673 0.1 0.1
assign (resid 39 and name H3') (resid 39 and name H4') 3.008 0.1 0.1
assign (resid 39 and name H3') (resid 39 and name H5') 3.687 0.1 0.1
assign (resid 39 and name H3') (resid 39 and name H5'') 3.086 0.1 0.1
assign (resid 39 and name H3') (resid 39 and name HO2') 3.597 0.1 0.1
assign (resid 39 and name H3') (resid 39 and name H8) 3.196 0.1 0.1
assign (resid 39 and name H3') (resid 40 and name H5') 3.959 0.1 0.1
assign (resid 39 and name H3') (resid 40 and name H5'') 4.908 0.1 0.1
assign (resid 39 and name H3') (resid 40 and name H8) 3.023 0.1 0.1
assign (resid 39 and name H4') (resid 39 and name H5') 2.534 0.1 0.1
assign (resid 39 and name H4') (resid 39 and name H5'') 2.370 0.1 0.1
assign (resid 39 and name H4') (resid 39 and name HO2') 2.044 0.1 0.1
assign (resid 39 and name H4') (resid 39 and name H8) 4.409 0.1 0.1
assign (resid 39 and name H4') (resid 40 and name H5') 4.167 0.1 0.1
assign (resid 39 and name H5') (resid 39 and name H5'') 1.776 0.1 0.1
assign (resid 39 and name H5') (resid 39 and name HO2') 4.410 0.1 0.1
assign (resid 39 and name H5') (resid 39 and name H8) 3.564 0.1 0.1
assign (resid 39 and name H5'')(resid 39 and name HO2') 4.310 0.1 0.1
assign (resid 39 and name H5'')(resid 39 and name H8) 4.368 0.1 0.1
assign (resid 39 and name HO2')(resid 40 and name H5') 2.941 0.1 0.1
assign (resid 39 and name HO2')(resid 40 and name H5'') 4.602 0.1 0.1
assign (resid 39 and name HO2')(resid 40 and name H8) 4.547 0.1 0.1
assign (resid 39 and name H21) (resid 39 and name H22) 1.784 0.1 0.1
assign (resid 39 and name H21) (resid 39 and name H1) 3.479 0.1 0.1
assign (resid 39 and name H21) (resid 40 and name H1') 3.255 0.1 0.1
assign (resid 39 and name H21) (resid 40 and name H8) 4.875 0.1 0.1
assign (resid 39 and name H22) (resid 39 and name H1) 2.169 0.1 0.1
assign (resid 39 and name H22) (resid 40 and name H1') 4.205 0.1 0.1
assign (resid 39 and name H22) (resid 40 and name H21) 4.772 0.1 0.1
assign (resid 39 and name H22) (resid 40 and name H1) 4.790 0.1 0.1
assign (resid 39 and name H22) (resid 31 and name H1') 4.316 0.1 0.1
assign (resid 39 and name H22) (resid 31 and name H2') 4.666 0.1 0.1
assign (resid 39 and name H22) (resid 31 and name H42) 4.566 0.1 0.1
assign (resid 39 and name H8)  (resid 40 and name H8) 4.797 0.1 0.1
assign (resid 39 and name H1)  (resid 40 and name H1) 4.082 0.1 0.1
assign (resid 39 and name H1)  (resid 30 and name H42) 4.747 0.1 0.1
assign (resid 39 and name H1)  (resid 31 and name H41) 4.023 0.1 0.1
assign (resid 39 and name H1)  (resid 31 and name H42) 2.478 0.1 0.1

assign (resid 40 and name H1') (resid 40 and name H2') 2.805 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name H3') 3.857 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name H4') 3.397 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name H5') 4.577 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name HO2') 2.565 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name H21) 4.775 0.1 0.1
assign (resid 40 and name H1') (resid 40 and name H8) 3.727 0.1 0.1
assign (resid 40 and name H2') (resid 40 and name H3') 2.425 0.1 0.1
assign (resid 40 and name H2') (resid 40 and name H4') 3.813 0.1 0.1
assign (resid 40 and name H2') (resid 40 and name HO2') 2.947 0.1 0.1
assign (resid 40 and name H2') (resid 40 and name H21) 4.701 0.1 0.1
assign (resid 40 and name H2') (resid 40 and name H8) 4.150 0.1 0.1
assign (resid 40 and name H3') (resid 40 and name H4') 3.007 0.1 0.1
assign (resid 40 and name H3') (resid 40 and name H5') 3.687 0.1 0.1
assign (resid 40 and name H3') (resid 40 and name H5'') 3.085 0.1 0.1
assign (resid 40 and name H3') (resid 40 and name HO2') 3.596 0.1 0.1
assign (resid 40 and name H3') (resid 40 and name H8) 3.196 0.1 0.1
assign (resid 40 and name H4') (resid 40 and name H5') 2.534 0.1 0.1
assign (resid 40 and name H4') (resid 40 and name H5'') 2.370 0.1 0.1
assign (resid 40 and name H4') (resid 40 and name HO2') 2.043 0.1 0.1
assign (resid 40 and name H4') (resid 40 and name H8) 4.410 0.1 0.1
assign (resid 40 and name H5') (resid 40 and name H5'') 1.776 0.1 0.1
assign (resid 40 and name H5') (resid 40 and name HO2') 4.409 0.1 0.1
assign (resid 40 and name H5') (resid 40 and name H8) 3.564 0.1 0.1
assign (resid 40 and name H5'')(resid 40 and name HO2') 4.309 0.1 0.1
assign (resid 40 and name H5'')(resid 40 and name H8) 4.368 0.1 0.1
assign (resid 40 and name H21) (resid 40 and name H22) 1.784 0.1 0.1
assign (resid 40 and name H21) (resid 40 and name H1) 3.479 0.1 0.1
assign (resid 40 and name H21) (resid 31 and name H1') 4.493 0.1 0.1
assign (resid 40 and name H22) (resid 40 and name H1) 2.168 0.1 0.1
assign (resid 40 and name H22) (resid 30 and name H1') 4.317 0.1 0.1
assign (resid 40 and name H22) (resid 30 and name H2') 4.667 0.1 0.1
assign (resid 40 and name H22) (resid 30 and name H42) 4.566 0.1 0.1
assign (resid 40 and name H22) (resid 31 and name H1') 4.373 0.1 0.1
assign (resid 40 and name H22) (resid 31 and name H6) 4.961 0.1 0.1
assign (resid 40 and name H1)  (resid 30 and name H41) 4.023 0.1 0.1
assign (resid 40 and name H1)  (resid 30 and name H42) 2.478 0.1 0.1
assign (resid 40 and name H1)  (resid 31 and name H41) 4.085 0.1 0.1
assign (resid 40 and name H1)  (resid 31 and name H42) 3.888 0.1 0.1
assign (resid 40 and name H1)  (resid 31 and name H5) 4.398 0.1 0.1
assign (resid 40 and name H1') (resid 41 and name H5') 4.677 0.1 0.1
assign (resid 40 and name H1') (resid 41 and name H8) 4.319 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H1') 4.192 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H3') 4.263 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H4') 4.442 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H5') 2.891 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H5'') 4.268 0.1 0.1
assign (resid 40 and name H2') (resid 41 and name H8) 1.673 0.1 0.1
assign (resid 40 and name H3') (resid 41 and name H5') 3.959 0.1 0.1
assign (resid 40 and name H3') (resid 41 and name H5'') 4.908 0.1 0.1
assign (resid 40 and name H3') (resid 41 and name H8) 3.023 0.1 0.1
assign (resid 40 and name H4') (resid 41 and name H5') 4.167 0.1 0.1
assign (resid 40 and name HO2')(resid 41 and name H5') 2.941 0.1 0.1
assign (resid 40 and name HO2')(resid 41 and name H5'') 4.602 0.1 0.1
assign (resid 40 and name HO2')(resid 41 and name H8) 4.547 0.1 0.1

assign (resid 41 and name H1') (resid 41 and name H2') 2.805 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name H3') 3.857 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name H4') 3.397 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name H5') 4.577 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name HO2') 2.564 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name H8) 3.700 0.1 0.1
assign (resid 41 and name H1') (resid 41 and name H2) 4.791 0.1 0.1
assign (resid 41 and name H1') (resid 42 and name H5') 4.677 0.1 0.1
assign (resid 41 and name H1') (resid 42 and name H8) 4.320 0.1 0.1
assign (resid 41 and name H2') (resid 41 and name H3') 2.425 0.1 0.1
assign (resid 41 and name H2') (resid 41 and name H4') 3.813 0.1 0.1
assign (resid 41 and name H2') (resid 41 and name HO2') 2.946 0.1 0.1
assign (resid 41 and name H2') (resid 41 and name H8) 4.125 0.1 0.1
assign (resid 41 and name H2') (resid 41 and name H2) 4.663 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H1') 4.192 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H3') 4.263 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H4') 4.442 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H5') 2.891 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H5'') 4.268 0.1 0.1
assign (resid 41 and name H2') (resid 42 and name H8) 1.674 0.1 0.1
assign (resid 41 and name H3') (resid 41 and name H4') 3.007 0.1 0.1
assign (resid 41 and name H3') (resid 41 and name H5') 3.686 0.1 0.1
assign (resid 41 and name H3') (resid 41 and name H5'') 3.085 0.1 0.1
assign (resid 41 and name H3') (resid 41 and name HO2') 3.596 0.1 0.1
assign (resid 41 and name H3') (resid 41 and name H8) 3.163 0.1 0.1
assign (resid 41 and name H3') (resid 42 and name H5') 3.959 0.1 0.1
assign (resid 41 and name H3') (resid 42 and name H5'') 4.908 0.1 0.1
assign (resid 41 and name H3') (resid 42 and name H8) 3.024 0.1 0.1
assign (resid 41 and name H4') (resid 41 and name H5') 2.534 0.1 0.1
assign (resid 41 and name H4') (resid 41 and name H5'') 2.370 0.1 0.1
assign (resid 41 and name H4') (resid 41 and name HO2') 2.043 0.1 0.1
assign (resid 41 and name H4') (resid 41 and name H8) 4.363 0.1 0.1
assign (resid 41 and name H4') (resid 42 and name H5') 4.168 0.1 0.1
assign (resid 41 and name H5') (resid 41 and name H5'') 1.776 0.1 0.1
assign (resid 41 and name H5') (resid 41 and name HO2') 4.410 0.1 0.1
assign (resid 41 and name H5') (resid 41 and name H8) 3.522 0.1 0.1
assign (resid 41 and name H5'')(resid 41 and name HO2') 4.309 0.1 0.1
assign (resid 41 and name H5'')(resid 41 and name H8) 4.325 0.1 0.1
assign (resid 41 and name HO2')(resid 42 and name H5') 2.942 0.1 0.1
assign (resid 41 and name HO2')(resid 42 and name H5'') 4.602 0.1 0.1
assign (resid 41 and name HO2')(resid 42 and name H8) 4.547 0.1 0.1
assign (resid 41 and name H62) (resid 41 and name H61) 1.784 0.1 0.1
assign (resid 41 and name H62) (resid 41 and name H2) 4.506 0.1 0.1
assign (resid 41 and name H62) (resid 42 and name H1) 4.505 0.1 0.1
assign (resid 41 and name H62) (resid 28 and name H41) 4.676 0.1 0.1
assign (resid 41 and name H62) (resid 30 and name H42) 3.827 0.1 0.1
assign (resid 41 and name H62) (resid 29 and name H3) 2.396 0.1 0.1
assign (resid 41 and name H62) (resid 29 and name H5) 4.489 0.1 0.1
assign (resid 41 and name H61) (resid 41 and name H8) 4.854 0.1 0.1
assign (resid 41 and name H61) (resid 30 and name H42) 4.579 0.1 0.1
assign (resid 41 and name H61) (resid 29 and name H3) 3.959 0.1 0.1
assign (resid 41 and name H8)  (resid 42 and name H8) 4.786 0.1 0.1
assign (resid 41 and name H2)  (resid 42 and name H1') 3.831 0.1 0.1
assign (resid 41 and name H2)  (resid 42 and name H8) 4.645 0.1 0.1
assign (resid 41 and name H2)  (resid 29 and name H3) 2.931 0.1 0.1

assign (resid 42 and name H1') (resid 42 and name H2') 2.805 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name H3') 3.857 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name H4') 3.398 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name H5') 4.577 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name HO2') 2.565 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name H21) 4.774 0.1 0.1
assign (resid 42 and name H1') (resid 42 and name H8) 3.727 0.1 0.1
assign (resid 42 and name H1') (resid 43 and name H5') 4.677 0.1 0.1
assign (resid 42 and name H1') (resid 43 and name H8) 4.319 0.1 0.1
assign (resid 42 and name H2') (resid 42 and name H3') 2.425 0.1 0.1
assign (resid 42 and name H2') (resid 42 and name H4') 3.813 0.1 0.1
assign (resid 42 and name H2') (resid 42 and name HO2') 2.947 0.1 0.1
assign (resid 42 and name H2') (resid 42 and name H21) 4.701 0.1 0.1
assign (resid 42 and name H2') (resid 42 and name H8) 4.149 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H1') 4.192 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H3') 4.263 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H4') 4.442 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H5') 2.891 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H5'') 4.268 0.1 0.1
assign (resid 42 and name H2') (resid 43 and name H8) 1.673 0.1 0.1
assign (resid 42 and name H3') (resid 42 and name H4') 3.008 0.1 0.1
assign (resid 42 and name H3') (resid 42 and name H5') 3.687 0.1 0.1
assign (resid 42 and name H3') (resid 42 and name H5'') 3.086 0.1 0.1
assign (resid 42 and name H3') (resid 42 and name HO2') 3.597 0.1 0.1
assign (resid 42 and name H3') (resid 42 and name H8) 3.196 0.1 0.1
assign (resid 42 and name H3') (resid 43 and name H5') 3.959 0.1 0.1
assign (resid 42 and name H3') (resid 43 and name H5'') 4.908 0.1 0.1
assign (resid 42 and name H3') (resid 43 and name H8) 3.023 0.1 0.1
assign (resid 42 and name H4') (resid 42 and name H5') 2.534 0.1 0.1
assign (resid 42 and name H4') (resid 42 and name H5'') 2.370 0.1 0.1
assign (resid 42 and name H4') (resid 42 and name HO2') 2.044 0.1 0.1
assign (resid 42 and name H4') (resid 42 and name H8) 4.409 0.1 0.1
assign (resid 42 and name H4') (resid 43 and name H5') 4.167 0.1 0.1
assign (resid 42 and name H5') (resid 42 and name H5'') 1.776 0.1 0.1
assign (resid 42 and name H5') (resid 42 and name HO2') 4.410 0.1 0.1
assign (resid 42 and name H5') (resid 42 and name H8) 3.564 0.1 0.1
assign (resid 42 and name H5'')(resid 42 and name HO2') 4.310 0.1 0.1
assign (resid 42 and name H5'')(resid 42 and name H8) 4.368 0.1 0.1
assign (resid 42 and name HO2')(resid 43 and name H5') 2.941 0.1 0.1
assign (resid 42 and name HO2')(resid 43 and name H5'') 4.602 0.1 0.1
assign (resid 42 and name HO2')(resid 43 and name H8) 4.547 0.1 0.1
assign (resid 42 and name H21) (resid 42 and name H22) 1.784 0.1 0.1
assign (resid 42 and name H21) (resid 42 and name H1) 3.479 0.1 0.1
assign (resid 42 and name H21) (resid 43 and name H1') 3.255 0.1 0.1
assign (resid 42 and name H21) (resid 43 and name H8) 4.875 0.1 0.1
assign (resid 42 and name H21) (resid 29 and name H1') 4.494 0.1 0.1
assign (resid 42 and name H22) (resid 42 and name H1) 2.169 0.1 0.1
assign (resid 42 and name H22) (resid 43 and name H1') 4.205 0.1 0.1
assign (resid 42 and name H22) (resid 43 and name H21) 4.772 0.1 0.1
assign (resid 42 and name H22) (resid 43 and name H1) 4.790 0.1 0.1
assign (resid 42 and name H22) (resid 28 and name H1') 4.316 0.1 0.1
assign (resid 42 and name H22) (resid 28 and name H2') 4.666 0.1 0.1
assign (resid 42 and name H22) (resid 28 and name H42) 4.566 0.1 0.1
assign (resid 42 and name H8)  (resid 43 and name H8) 4.797 0.1 0.1
assign (resid 42 and name H1)  (resid 43 and name H1) 4.082 0.1 0.1
assign (resid 42 and name H1)  (resid 27 and name H42) 4.747 0.1 0.1
assign (resid 42 and name H1)  (resid 28 and name H41) 4.023 0.1 0.1
assign (resid 42 and name H1)  (resid 28 and name H42) 2.478 0.1 0.1

assign (resid 43 and name H1') (resid 43 and name H2') 2.805 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name H3') 3.857 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name H4') 3.397 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name H5') 4.577 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name HO2') 2.565 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name H21) 4.775 0.1 0.1
assign (resid 43 and name H1') (resid 43 and name H8) 3.727 0.1 0.1
assign (resid 43 and name H2') (resid 43 and name H3') 2.425 0.1 0.1
assign (resid 43 and name H2') (resid 43 and name H4') 3.813 0.1 0.1
assign (resid 43 and name H2') (resid 43 and name HO2') 2.947 0.1 0.1
assign (resid 43 and name H2') (resid 43 and name H21) 4.701 0.1 0.1
assign (resid 43 and name H2') (resid 43 and name H8) 4.150 0.1 0.1
assign (resid 43 and name H3') (resid 43 and name H4') 3.007 0.1 0.1
assign (resid 43 and name H3') (resid 43 and name H5') 3.687 0.1 0.1
assign (resid 43 and name H3') (resid 43 and name H5'') 3.085 0.1 0.1
assign (resid 43 and name H3') (resid 43 and name HO2') 3.596 0.1 0.1
assign (resid 43 and name H3') (resid 43 and name H8) 3.196 0.1 0.1
assign (resid 43 and name H4') (resid 43 and name H5') 2.534 0.1 0.1
assign (resid 43 and name H4') (resid 43 and name H5'') 2.370 0.1 0.1
assign (resid 43 and name H4') (resid 43 and name HO2') 2.043 0.1 0.1
assign (resid 43 and name H4') (resid 43 and name H8) 4.410 0.1 0.1
assign (resid 43 and name H5') (resid 43 and name H5'') 1.776 0.1 0.1
assign (resid 43 and name H5') (resid 43 and name HO2') 4.409 0.1 0.1
assign (resid 43 and name H5') (resid 43 and name H8) 3.564 0.1 0.1
assign (resid 43 and name H5'')(resid 43 and name HO2') 4.309 0.1 0.1
assign (resid 43 and name H5'')(resid 43 and name H8) 4.368 0.1 0.1
assign (resid 43 and name H21) (resid 43 and name H22) 1.784 0.1 0.1
assign (resid 43 and name H21) (resid 43 and name H1) 3.479 0.1 0.1
assign (resid 43 and name H21) (resid 28 and name H1') 4.493 0.1 0.1
assign (resid 43 and name H22) (resid 43 and name H1) 2.168 0.1 0.1
assign (resid 43 and name H22) (resid 27 and name H1') 4.317 0.1 0.1
assign (resid 43 and name H22) (resid 27 and name H2') 4.667 0.1 0.1
assign (resid 43 and name H22) (resid 27 and name H42) 4.566 0.1 0.1
assign (resid 43 and name H22) (resid 28 and name H1') 4.373 0.1 0.1
assign (resid 43 and name H22) (resid 28 and name H6) 4.961 0.1 0.1
assign (resid 43 and name H1)  (resid 27 and name H41) 4.023 0.1 0.1
assign (resid 43 and name H1)  (resid 27 and name H42) 2.478 0.1 0.1
assign (resid 43 and name H1)  (resid 28 and name H41) 4.085 0.1 0.1
assign (resid 43 and name H1)  (resid 28 and name H42) 3.888 0.1 0.1
assign (resid 43 and name H1)  (resid 28 and name H5) 4.398 0.1 0.1
!-------------------------------------------------------------------

!Loop restarints

assign (residue 31 and name H1') (residue 32 and name H6)6.19 1.2 1.2  
assign (residue 31 and name H5) (residue 32 and name H6) 6.63 1.3 1.3 

assign (residue 32 and name H6) (residue 32 and name H3') 2.33 0.5 0.5
assign (residue 32 and name H6) (residue 32 and name H5) 2.44 0.5 0.5
assign (residue 32 and name H6) (residue 32 and name H2') 3.55 0.7 0.7 
assign (residue 32 and name H2') (residue 32 and name H5)5.12 1.0 1.0 
assign (residue 32 and name H6) (residue 32 and name H1')3.65 0.7 0.7  
assign (residue 32 and name H1') (residue 32 and name H2') 2.44 0.5 0.5
assign (residue 32 and name H5) (residue 31 and name H5) 6.43 1.3 1.3   
assign (residue 32 and name H6) (residue 31 and name H2')3.40 0.7 0.7  
assign (residue 32 and name H6) (residue 31 and name H3')3.61 0.7 0.7 
assign (residue 32 and name H6) (residue 33 and name H5) 3.45 0.7 0.7 
assign (residue 32 and name H5) (residue 31 and name H2') 5.18 1.0 1.0 
assign (residue 32 and name H6) (residue 31 and name H4') 6.10 1.2 1.2
assign (residue 32 and name H6) (residue 32 and name H4') 3.86 0.8 0.8
assign (residue 32 and name H1') (residue 32 and name H4') 3.51 0.7 0.7 

assign (residue 33 and name H6) (residue 33 and name H5) 2.44 0.5 0.5  
assign (residue 33 and name H1') (residue 33 and name H2') 2.44 0.5 0.5 
assign (residue 33 and name H6) (residue 33 and name H2') 4.03 0.8 0.8 
assign (residue 33 and name H6) (residue 33 and name H1') 3.50 0.7 0.7 
assign (residue 33 and name H6) (residue 33 and name H3') 2.97 0.6 0.6 
assign (residue 33 and name H6) (residue 33 and name H4') 3.89 0.8 0.8 
assign (residue 33 and name H3') (residue 33 and name H5) 4.61 0.9 0.9
assign (residue 33 and name H6) (residue 32 and name H1') 5.11 1.0 1.0 
assign (residue 33 and name H6) (residue 32 and name H2') 2.34 0.5 0.5 
assign (residue 33 and name H5) (residue 32 and name H2') 2.46 0.5 0.5 
assign (residue 33 and name H5) (residue 32 and name H3') 2.71 0.5 0.5 
assign (residue 33 and name H1') (residue 33 and name H4') 3.53 0.7 0.7

assign (residue 34 and name H1') (residue 34 and name #H7)5.34 1.1 1.1  
assign (residue 34 and name H1') (residue 34 and name #H8) 5.34 1.1 1.1 
assign (residue 34 and name H6) (residue 34 and name H2')4.34 0.9 0.9 
assign (residue 34 and name H6) (residue 34 and name H3')3.55 0.7 0.7  
assign (residue 34 and name H6) (residue 34 and name #H7) 3.32 0.7 0.7  
assign (residue 34 and name H6) (residue 34 and name #H8) 3.32 0.7 0.7  
assign (residue 34 and name H6) (residue 34 and name H1')3.30 0.7 0.7 
assign (residue 34 and name H6) (residue 34 and name H5'') 3.83 0.8 0.8 
assign (residue 34 and name H6) (residue 34 and name H5') 2.27 0.4 0.4
assign (residue 34 and name H1') (residue 34 and name H2') 2.44 0.5 0.5
assign (residue 34 and name H6) (residue 35 and name H1') 6.49 1.3 1.3
assign (residue 34 and name H1') (residue 34 and name H4') 3.57 0.7 0.7
assign (residue 34 and name H6) (residue 34 and name H4') 3.94 0.8 0.8
assign (residue 34 and name H2') (residue 35 and name H4') 3.14 0.6 0.6

assign (residue 35 and name H1') (residue 35 and name H2') 2.44 0.5 0.5  
assign (residue 35 and name H8) (residue 35 and name H2') 3.53 0.7 0.7 
assign (residue 35 and name H8) (residue 35 and name H1')3.68 0.7 0.7
assign (residue 35 and name H8) (residue 35 and name H3')4.75 1.0 1.0 
assign (residue 35 and name H8) (residue 35 and name H4')4.03 0.8 0.8
assign (residue 35 and name H1') (residue 35 and name H4')3.74 0.7 0.7
assign (residue 35 and name H2) (residue 37 and name H1') 7.00 1.4 1.4 
assign (residue 35 and name H8) (residue 34 and name H7#) 6.64 1.3 1.3  
assign (residue 35 and name H8) (residue 34 and name H8#) 6.64 1.3 1.3 
assign (residue 35 and name H8) (residue 33 and name H1') 4.17 0.8 0.8 
assign (residue 35 and name H8) (residue 34 and name H8#) 6.54 1.3 1.3 
assign (residue 35 and name H8) (residue 34 and name H7#) 6.54 1.3 1.3 
assign (residue 35 and name H2) (residue 36 and name H1') 4.26 0.8 0.8 
assign (residue 35 and name H8) (residue 34 and name H1') 5.58 1.1 1.1 
assign (residue 35 and name H8) (residue 34 and name H2') 3.83 0.8 0.8 
assign (residue 35 and name H8) (residue 34 and name H6) 4.43 0.9 0.9 
assign (residue 35 and name H8) (residue 34 and name H5'') 5.76 1.1 1.1 
assign (residue 35 and name H8) (residue 34 and name H5') 4.51 0.9 0.9 
assign (residue 35 and name H8) (residue 34 and name H3') 2.75 0.5 0.5 

assign (residue 36 and name H1') (residue 36 and name H2') 2.44 0.5 0.5  
assign (residue 36 and name H6) (residue 36 and name H5) 2.44 0.6 0.5 
assign (residue 36 and name H6) (residue 36 and name H2')3.43 0.7 0.7
assign (residue 36 and name H6) (residue 36 and name H1')3.68 0.7 0.7
assign (residue 36 and name H6) (residue 36 and name H3') 2.48 0.5 0.5
assign (residue 36 and name H6) (residue 36 and name H4') 3.84 0.8 0.8
assign (residue 36 and name H6) (residue 33 and name H1')6.09 1.2 1.2  
assign (residue 36 and name H6) (residue 35 and name H2')2.76 0.5 0.5  
assign (residue 36 and name H6) (residue 35 and name H3')4.15 0.8 0.8 
assign (residue 36 and name H6) (residue 35 and name H4')5.82 1.2 1.2 
assign (residue 36 and name H6) (residue 37 and name H1')5.54 1.1 1.1  
assign (residue 36 and name H6) (residue 37 and name H4')7.01 1.4 1.4 
assign (residue 36 and name H5) (residue 35 and name H2') 2.39 0.5 0.5 
assign (residue 36 and name H5) (residue 35 and name H8) 4.14 0.8 0.8 
assign (residue 36 and name H5) (residue 37 and name H8) 4.78 0.9 0.9 
assign (residue 36 and name H4') (residue 37 and name H8) 5.48 1.1 1.1
assign (residue 36 and name H1') (residue 36 and name H4') 3.51 0.7 0.7

assign (residue 37 and name H8) (residue 37 and name H1')3.73 0.7 0.7 
assign (residue 37 and name H8) (residue 37 and name H3')3.00 0.6 0.6
assign (residue 37 and name H2') (residue 37 and name H8) 3.57 0.7 0.7
assign (residue 37 and name H4') (residue 37 and name H8) 4.14 0.8 0.8
assign (residue 37 and name H1') (residue 37 and name H4') 3.53 0.7 0.7
assign (residue 37 and name H1') (residue 37 and name H3') 3.88 0.7 0.7
assign (residue 37 and name H1') (residue 37 and name H2') 2.44 0.5 0.5
assign (residue 37 and name H2) (residue 38 and name H1') 3.53 0.7 0.7  
assign (residue 37 and name H2) (residue 33 and name H1') 6.71 1.3 1.3 

assign (residue 38 and name H8) (residue 38 and name H1') 3.57 0.7 0.7 
assign (residue 38 and name H4') (residue 38 and name H8) 4.33 0.9 0.9 
assign (residue 38 and name H8) (residue 38 and name H2') 4.29 0.8 0.8 
assign (residue 38 and name H8) (residue 38 and name H3') 3.45 0.7 0.7 
assign (residue 38 and name H2') (residue 39 and name H8) 2.37 0.5 0.5 
assign (residue 38 and name H3') (residue 39 and name H8) 2.40 0.5 0.5
 
assign (residue 39 and name H1') (residue 38 and name H2) 3.49 0.7 0.7 
assign (residue 39 and name H8) (residue 38 and name H1') 4.87 1.0 1.0


!Angle restraints
!?!Loop

!C32 C3' endo                                                               
!                                                                               
assign (resid 32 and name O4')                                   
       (resid 32 and name C4')                                   
       (resid 32 and name C3')                                   
       (resid 32 and name C2') 1.0 -36.1 5.0 2                 

assign (resid 32 and name C4')                                   
       (resid 32 and name C3')                                   
       (resid 32 and name C2')                                   
       (resid 32 and name C1') 1.0  37.3 5.0 2                 

assign (resid 32 and name C3')                                   
       (resid 32 and name C2')                                   
       (resid 32 and name C1')                                   
       (resid 32 and name O4') 1.0 -25.8 5.0 2 
           

!C33 C3' endo                                                               
!                                                                               
assign (resid 33 and name O4')                                   
       (resid 33 and name C4')                                   
       (resid 33 and name C3')                                   
       (resid 33 and name C2') 1.0 -36.1 5.0 2                 

assign (resid 33 and name C4')                                   
       (resid 33 and name C3')                                   
       (resid 33 and name C2')                                   
       (resid 33 and name C1') 1.0  37.3 5.0 2                 

assign (resid 33 and name C3')                                   
       (resid 33 and name C2')                                   
       (resid 33 and name C1')                                   
       (resid 33 and name O4') 1.0 -25.8 5.0 2



!CM034 unrestrained                                                              

!A35   unrestrained                                                             


!C36 C3' endo                                                               
!                                                                               
assign (resid 36 and name O4')                                   
       (resid 36 and name C4')                                   
       (resid 36 and name C3')                                   
       (resid 36 and name C2') 1.0 -36.1 5.0 2                 

assign (resid 36 and name C4')                                   
       (resid 36 and name C3')                                   
       (resid 36 and name C2')                                   
       (resid 36 and name C1') 1.0  37.3 5.0 2                 

assign (resid 36 and name C3')                                   
       (resid 36 and name C2')                                   
       (resid 36 and name C1')                                   
       (resid 36 and name O4') 1.0 -25.8 5.0 2  

!A37 unrestrained                                                                


!A38 C3' endo                                                               
!                                                                               
assign (resid 38 and name O4')                                   
       (resid 38 and name C4')                                   
       (resid 38 and name C3')                                   
       (resid 38 and name C2') 1.0 -36.1 5.0 2                 

assign (resid 38 and name C4')                                   
       (resid 38 and name C3')                                   
       (resid 38 and name C2')                                   
       (resid 38 and name C1') 1.0  37.3 5.0 2                 

assign (resid 38 and name C3')                                   
       (resid 38 and name C2')                                   
       (resid 38 and name C1')                                   
       (resid 38 and name O4') 1.0 -25.8 5.0 2 

!-----------------------------------------------
!alpha: O3'-P-O5'-C5'

!C32
assign (resid 31 and name O3')                                  
       (resid 32 and name P  )                                  
       (resid 32 and name O5')                                  
       (resid 32 and name C5')   1.0  -68 30.0  2


!URI 33 
assign (resid 32 and name O3')                                  
       (resid 33 and name P  )                                  
       (resid 33 and name O5')                                  
       (resid 33 and name C5')  1.0  -68 30.0  2

!CM034 unrestrained 


!A35
assign (resid 34 and name O3')                                  
       (resid 35 and name P  )                                  
       (resid 35 and name O5')                                  
       (resid 35 and name C5')    1.0  0 120  2

!C36
assign (resid 35 and name O3')                                  
       (resid 36 and name P  )                                  
       (resid 36 and name O5')                                  
       (resid 36 and name C5')    1.0 -68 30.0  2


!A37 
assign (resid 36 and name O3')                                  
       (resid 37 and name P  )                                  
       (resid 37 and name O5')                                  
       (resid 37 and name C5')    1.0 -68 30.0  2

!A38
assign (resid 37 and name O3')                                  
       (resid 38 and name P  )                                  
       (resid 38 and name O5')                                  
       (resid 38 and name C5')    1.0  -68 30.0  2

!-----------------------------------------------------
!beta: P-O5'-C5'-C4' 

!C32 
assign (resid 32 and name P  )                                  
       (resid 32 and name O5')                                  
       (resid 32 and name C5')                                  
       (resid 32 and name C4') 1.0 178 30.0  2

!U33 
assign (resid 33 and name P  )                                  
       (resid 33 and name O5')                                  
       (resid 33 and name C5')                                  
       (resid 33 and name C4') 1.0 178 30.0  2

!CM034 
assign (resid 34 and name P  )                                  
       (resid 34 and name O5')                                  
       (resid 34 and name C5')                                  
       (resid 34 and name C4') 1.0 178 30.0  2

!A35
assign (resid 35 and name P  )                                  
       (resid 35 and name O5')                                  
       (resid 35 and name C5')                                  
       (resid 35 and name C4') 1.0 178 30.0  2


!C36
assign (resid 36 and name P  )                                  
       (resid 36 and name O5')                                  
       (resid 36 and name C5')                                  
       (resid 36 and name C4') 1.0 178 30.0  2

!A37
assign (resid 37 and name P  )                                  
       (resid 37 and name O5')                                  
       (resid 37 and name C5')                                  
       (resid 37 and name C4') 1.0 178 30.0  2


!A38
assign (resid 38 and name P  )                                  
       (resid 38 and name O5')                                  
       (resid 38 and name C5')                                  
       (resid 38 and name C4') 1.0 178 30.0  2

!---------------------------------------------------
!Chi  Purines     = O4'-C1'-N9-C4
!     Pyrimidines = O4'-C1'-N1-C2

!C32
assign (resid 32 and name O4') 
       (resid 32 and name C1')
       (resid 32 and name N1 )
       (resid 32 and name C2 ) 1.0 -158.0 30.0 2

!U33
assign (resid 33 and name O4') 
       (resid 33 and name C1')
       (resid 33 and name N1 )
       (resid 33 and name C2 ) 1.0 -158.0 30.0 2

!CM034
assign (resid 34 and name O4') 
       (resid 34 and name C1')
       (resid 34 and name N1 )
       (resid 34 and name C2 ) 1.0 -158.0 30.0 2

!A35 unrestrained

!C36
assign (resid 36 and name O4') 
       (resid 36 and name C1')
       (resid 36 and name N1 )
       (resid 36 and name C2 ) 1.0 -158.0 30.0 2

!A37
assign (resid 37 and name O4') 
       (resid 37 and name C1')
       (resid 37 and name N9 )
       (resid 37 and name C4 ) 1.0 -158.0 30.0 2
!A38
assign (resid 38 and name O4') 
       (resid 38 and name C1')
       (resid 38 and name N9 )
       (resid 38 and name C4 ) 1.0 -158.0 30.0 2



!---------------------------------------------------------
!Epsilon: C4'-C3'-O3'-P

! C32                                                                    
!                                                                               
assign (resid 32 and name C4')                                  
       (resid 32 and name C3')                                  
       (resid 32 and name O3')                                  
       (resid 33 and name P  ) 1.0 -153 20  2 

! U33                                                                    
!                                                                               
assign (resid 33 and name C4')                                  
       (resid 33 and name C3')                                  
       (resid 33 and name O3')                                  
       (resid 34 and name P  ) 1.0 -153 20  2

!CM034                                                                             
assign (resid 34 and name C4')                                  
       (resid 34 and name C3')                                  
       (resid 34 and name O3')                                  
       (resid 35 and name P  ) 1.0 -153 20  2 


! A35                                                                    
!                                                                               
assign (resid 35 and name C4')                                  
       (resid 35 and name C3')                                  
       (resid 35 and name O3')                                  
       (resid 36 and name P  ) 1.0 -153 20  2  

! C36                                                                    
!                                                                               
assign (resid 36 and name C4')                                  
       (resid 36 and name C3')                                  
       (resid 36 and name O3')                                  
       (resid 37 and name P  ) 1.0 -153 20  2

     
! A37                                                                    
!                                                                               
assign (resid 37 and name C4')                                  
       (resid 37 and name C3')                                  
       (resid 37 and name O3')                                  
       (resid 38 and name P  ) 1.0 -153 20  2

! A38                                                                    
!                                                                               
assign (resid 38 and name C4')                                  
       (resid 38 and name C3')                                  
       (resid 38 and name O3')                                  
       (resid 39 and name P  ) 1.0 -153 20  2

!-----------------------------------------------------
!Zeta C3'-O3'-P-O5'

!C32 
assign (resid 32 and name C3')                                  
       (resid 32 and name O3')                                  
       (resid 33 and name P  )                                  
       (resid 33 and name O5')  1.0 -71 20  2

!U33 unrestrained


!CM034 unrestrained


!A35
assign (resid 35 and name C3')                                  
       (resid 35 and name O3')                                  
       (resid 36 and name P  )                                  
       (resid 36 and name O5')  1.0 -71 20  2

!C36 unrestrained


!A37 
assign (resid 37 and name C3')                                  
       (resid 37 and name O3')                                  
       (resid 38 and name P  )                                  
       (resid 38 and name O5')  1.0 -71 20  2

!A38
assign (resid 38 and name C3')                                  
       (resid 38 and name O3')                                  
       (resid 39 and name P  )                                  
       (resid 39 and name O5')  1.0 -71 20  2

!--------------------------------------------
! Stem
!
!C27 C3' endo                                                              
!nu0
assign (resid 27 and name C4') 
       (resid 27 and name O4')
       (resid 27 and name C1')
       (resid 27 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 27 and name O4')
       (resid 27 and name C1')
       (resid 27 and name C2')
       (resid 27 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 27 and name C1')
       (resid 27 and name C2')
       (resid 27 and name C3')
       (resid 27 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 27 and name C2') 
       (resid 27 and name C3')
       (resid 27 and name C4')
       (resid 27 and name O4')  1.0 -36 30 2

!nu4
assign (resid 27 and name C3')
       (resid 27 and name C4')
       (resid 27 and name O4') 
       (resid 27 and name C1')  1.0 21 30 2

!C28 C3' endo
!nu0
assign (resid 28 and name C4') 
       (resid 28 and name O4')
       (resid 28 and name C1')
       (resid 28 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 28 and name O4')
       (resid 28 and name C1')
       (resid 28 and name C2')
       (resid 28 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 28 and name C1')
       (resid 28 and name C2')
       (resid 28 and name C3')
       (resid 28 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 28 and name C2') 
       (resid 28 and name C3')
       (resid 28 and name C4')
       (resid 28 and name O4')  1.0 -36 30 2

!nu4
assign (resid 28 and name C3')
       (resid 28 and name C4')
       (resid 28 and name O4') 
       (resid 28 and name C1')  1.0 21 30 2

!U29 C3' endo
!nu0
assign (resid 29 and name C4') 
       (resid 29 and name O4')
       (resid 29 and name C1')
       (resid 29 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 29 and name O4')
       (resid 29 and name C1')
       (resid 29 and name C2')
       (resid 29 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 29 and name C1')
       (resid 29 and name C2')
       (resid 29 and name C3')
       (resid 29 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 29 and name C2') 
       (resid 29 and name C3')
       (resid 29 and name C4')
       (resid 29 and name O4')  1.0 -36 30 2

!nu4
assign (resid 29 and name C3')
       (resid 29 and name C4')
       (resid 29 and name O4') 
       (resid 29 and name C1')  1.0 21 30 2

!CYT 30 C3' endo
!nu0
assign (resid 30 and name C4') 
       (resid 30 and name O4')
       (resid 30 and name C1')
       (resid 30 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 30 and name O4')
       (resid 30 and name C1')
       (resid 30 and name C2')
       (resid 30 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 30 and name C1')
       (resid 30 and name C2')
       (resid 30 and name C3')
       (resid 30 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 30 and name C2') 
       (resid 30 and name C3')
       (resid 30 and name C4')
       (resid 30 and name O4')  1.0 -36 30 2

!nu4
assign (resid 30 and name C3')
       (resid 30 and name C4')
       (resid 30 and name O4') 
       (resid 30 and name C1')  1.0 21 30 2

!C31 C3' endo
!nu0
assign (resid 31 and name C4') 
       (resid 31 and name O4')
       (resid 31 and name C1')
       (resid 31 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 31 and name O4')
       (resid 31 and name C1')
       (resid 31 and name C2')
       (resid 31 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 31 and name C1')
       (resid 31 and name C2')
       (resid 31 and name C3')
       (resid 31 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 31 and name C2') 
       (resid 31 and name C3')
       (resid 31 and name C4')
       (resid 31 and name O4')  1.0 -36 30 2

!nu4
assign (resid 31 and name C3')
       (resid 31 and name C4')
       (resid 31 and name O4') 
       (resid 31 and name C1')  1.0 21 30 2
       
 !G39 C3'endo
!nu0
assign (resid 39 and name C4') 
       (resid 39 and name O4')
       (resid 39 and name C1')
       (resid 39 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 39 and name O4')
       (resid 39 and name C1')
       (resid 39 and name C2')
       (resid 39 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 39 and name C1')
       (resid 39 and name C2')
       (resid 39 and name C3')
       (resid 39 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 39 and name C2') 
       (resid 39 and name C3')
       (resid 39 and name C4')
       (resid 39 and name O4')  1.0 -36 30 2

!nu4
assign (resid 39 and name C3')
       (resid 39 and name C4')
       (resid 39 and name O4') 
       (resid 39 and name C1')  1.0 21 30 2
      
       
!G40 C3' endo
!nu0
assign (resid 40 and name C4') 
       (resid 40 and name O4')
       (resid 40 and name C1')
       (resid 40 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 40 and name O4')
       (resid 40 and name C1')
       (resid 40 and name C2')
       (resid 40 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 40 and name C1')
       (resid 40 and name C2')
       (resid 40 and name C3')
       (resid 40 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 40 and name C2') 
       (resid 40 and name C3')
       (resid 40 and name C4')
       (resid 40 and name O4')  1.0 -36 30 2

!nu4
assign (resid 40 and name C3')
       (resid 40 and name C4')
       (resid 40 and name O4') 
       (resid 40 and name C1')  1.0 21 30 2

!A41 C3'endo
!nu0
assign (resid 41 and name C4') 
       (resid 41 and name O4')
       (resid 41 and name C1')
       (resid 41 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 41 and name O4')
       (resid 41 and name C1')
       (resid 41 and name C2')
       (resid 41 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 41 and name C1')
       (resid 41 and name C2')
       (resid 41 and name C3')
       (resid 41 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 41 and name C2') 
       (resid 41 and name C3')
       (resid 41 and name C4')
       (resid 41 and name O4')  1.0 -36 30 2

!nu4
assign (resid 41 and name C3')
       (resid 41 and name C4')
       (resid 41 and name O4') 
       (resid 41 and name C1')  1.0 21 30 2 

!GUA 42 C3'endo
!nu0
assign (resid 42 and name C4') 
       (resid 42 and name O4')
       (resid 42 and name C1')
       (resid 42 and name C2') 1.0 3 30 2
       

!nu1
assign (resid 42 and name O4')
       (resid 42 and name C1')
       (resid 42 and name C2')
       (resid 42 and name C3')  1.0 -25 30 2
       

!nu2
assign (resid 42 and name C1')
       (resid 42 and name C2')
       (resid 42 and name C3')
       (resid 42 and name C4')  1.0 37 30 2
       

!nu3
assign (resid 42 and name C2') 
       (resid 42 and name C3')
       (resid 42 and name C4')
       (resid 42 and name O4')  1.0 -36 30 2

!nu4
assign (resid 42 and name C3')
       (resid 42 and name C4')
       (resid 42 and name O4') 
       (resid 42 and name C1')  1.0 21 30 2

!G43 unrestrained

!-----------------------------------------------
!alpha: O3'-P-O5'-C5' and 
!-----------------------------------------------

!C27 left unrestrained no 5' phosphate for this residue

!C28
assign (resid 27 and name O3')                                  
       (resid 28 and name P  )                                  
       (resid 28 and name O5')                                  
       (resid 28 and name C5')    1.0 -68 15  2

!U29
assign (resid 28 and name O3')                                  
       (resid 29 and name P  )                                  
       (resid 29 and name O5')                                  
       (resid 29 and name C5')    1.0 -68 15  2

!C30
assign (resid 29 and name O3')                                  
       (resid 30 and name P  )                                  
       (resid 30 and name O5')                                  
       (resid 30 and name C5')    1.0 -68 15  2

!C31
assign (resid 30 and name O3')                                  
       (resid 31 and name P  )                                  
       (resid 31 and name O5')                                  
       (resid 31 and name C5')    1.0 -68 15  2

 !G39
assign (resid 38 and name O3')                                  
       (resid 39 and name P  )                                  
       (resid 39 and name O5')                                  
       (resid 39 and name C5')    1.0 -68 15  2

!G40
assign (resid 39 and name O3')                                  
       (resid 40 and name P  )                                  
       (resid 40 and name O5')                                  
       (resid 40 and name C5')    1.0 -68 15  2

!A41
assign (resid 40 and name O3')                                  
       (resid 41 and name P  )                                  
       (resid 41 and name O5')                                  
       (resid 41 and name C5')    1.0 -68 15  2

!G42
assign (resid 41 and name O3')                                  
       (resid 42 and name P  )                                  
       (resid 42 and name O5')                                  
       (resid 42 and name C5')    1.0 -68 15  2

!G43
assign (resid 42 and name O3')                                  
       (resid 43 and name P  )                                  
       (resid 43 and name O5')                                  
       (resid 43 and name C5')    1.0 -68 15  2      
       
!-----------------------------------------------------
!beta: P-O5'-C5'-C4' 



!C27 no 5' Phosphate

!C28
assign (resid 28 and name P  )                                  
       (resid 28 and name O5')                                  
       (resid 28 and name C5')                                  
       (resid 28 and name C4') 1.0 178 15.0  2

!U29
assign (resid 29 and name P  )                                  
       (resid 29 and name O5')                                  
       (resid 29 and name C5')                                  
       (resid 29 and name C4') 1.0 178 15.0  2

!C30
assign (resid 30 and name P  )                                  
       (resid 30 and name O5')                                  
       (resid 30 and name C5')                                  
       (resid 30 and name C4') 1.0 178 15.0  2

!C31 
assign (resid 31 and name P  )                                  
       (resid 31 and name O5')                                  
       (resid 31 and name C5')                                  
       (resid 31 and name C4') 1.0 178 15.0  2
       
!G39
assign (resid 39 and name P  )                                  
       (resid 39 and name O5')                                  
       (resid 39 and name C5')                                  
       (resid 39 and name C4') 1.0 178 15.0  2


!G40
assign (resid 40 and name P  )                                  
       (resid 40 and name O5')                                  
       (resid 40 and name C5')                                  
       (resid 40 and name C4') 1.0 178 15.0  2

!A41
assign (resid 41 and name P  )                                  
       (resid 41 and name O5')                                  
       (resid 41 and name C5')                                  
       (resid 41 and name C4') 1.0 178 15.0  2

!G42
assign (resid 42 and name P  )                                  
       (resid 42 and name O5')                                  
       (resid 42 and name C5')                                  
       (resid 42 and name C4') 1.0 178 15.0  2

!G43
assign (resid 43 and name P  )                                  
       (resid 43 and name O5')                                  
       (resid 43 and name C5')                                  
       (resid 43 and name C4') 1.0 178 15.0  2
!---------------------------------------------------
!Chi Purines     = O4'-C1'-N9-C4
!    Pyrimidines = O4'-C1'-N1-C2
!--------------------------------------------------

!C27
assign (resid 27 and name O4') 
       (resid 27 and name C1')
       (resid 27 and name N1 )
       (resid 27 and name C2 ) 1.0 -158.0 15.0 2

!C28
assign (resid 28 and name O4') 
       (resid 28 and name C1')
       (resid 28 and name N1 )
       (resid 28 and name C2 ) 1.0 -158.0 15.0 2
!U29
assign (resid 29 and name O4') 
       (resid 29 and name C1')
       (resid 29 and name N1 )
       (resid 29 and name C2 ) 1.0 -158.0 15.0 2

!C30
assign (resid 30 and name O4') 
       (resid 30 and name C1')
       (resid 30 and name N1 )
       (resid 30 and name C2 ) 1.0 -158.0 15.0 2

!C31
assign (resid 31 and name O4') 
       (resid 31 and name C1')
       (resid 31 and name N1 )
       (resid 31 and name C2 ) 1.0 -158.0 15.0 2

!G39
assign (resid 39 and name O4') 
       (resid 39 and name C1')
       (resid 39 and name N9 )
       (resid 39 and name C4 ) 1.0 -158.0 15.0 2

!G40
assign (resid 40 and name O4') 
       (resid 40 and name C1')
       (resid 40 and name N9 )
       (resid 40 and name C4 ) 1.0 -158.0 15.0 2

!A41
assign (resid 41 and name O4') 
       (resid 41 and name C1')
       (resid 41 and name N9 )
       (resid 41 and name C4 ) 1.0 -158.0 15.0 2

!G42
assign (resid 42 and name O4') 
       (resid 42 and name C1')
       (resid 42 and name N9 )
       (resid 42 and name C4 ) 1.0 -158.0 15.0 2

!G43
assign (resid 43 and name O4') 
       (resid 43 and name C1')
       (resid 43 and name N9 )
       (resid 43 and name C4 ) 1.0 -158.0 15.0 2
       
!---------------------------------------------------------
!Epsilon: C4'-C3'-O3'-P

! C27                                                                    
!                                                                               
assign (resid 27 and name C4')                                  
       (resid 27 and name C3')                                  
       (resid 27 and name O3')                                  
       (resid 28 and name P  ) 1.0 -153 15.0  2  
! C28                                                                    
!                                                                               
assign (resid 28 and name C4')                                  
       (resid 28 and name C3')                                  
       (resid 28 and name O3')                                  
       (resid 29 and name P  ) 1.0 -153 15.0  2 

! U29                                                                    
!                                                                               
assign (resid 29 and name C4')                                  
       (resid 29 and name C3')                                  
       (resid 29 and name O3')                                  
       (resid 30 and name P  ) 1.0 -153 15.0  2 

! C30                                                                    
!                                                                               
assign (resid 30 and name C4')                                  
       (resid 30 and name C3')                                  
       (resid 30 and name O3')                                  
       (resid 31 and name P  ) 1.0 -153 15.0  2

! C31                                                                    
!                                                                               
assign (resid 31 and name C4')                                  
       (resid 31 and name C3')                                  
       (resid 31 and name O3')                                  
       (resid 32 and name P  ) 1.0 -153 15.0 2

! G39                                                                    
!                                                                               
assign (resid 39 and name C4')                                  
       (resid 39 and name C3')                                  
       (resid 39 and name O3')                                  
       (resid 40 and name P  ) 1.0 -153 15.0  2

! G40                                                                    
!                                                                               
assign (resid 40 and name C4')                                  
       (resid 40 and name C3')                                  
       (resid 40 and name O3')                                  
       (resid 41 and name P  ) 1.0 -153 15.0  2


! A41                                                                    
!                                                                               
assign (resid 41 and name C4')                                  
       (resid 41 and name C3')                                  
       (resid 41 and name O3')                                  
       (resid 42 and name P  ) 1.0 -153 15.0  2


! G42                                                                    
!                                                                               
assign (resid 42 and name C4')                                  
       (resid 42 and name C3')                                  
       (resid 42 and name O3')                                  
       (resid 43 and name P  ) 1.0 -153 15.0  2 

!U33 
assign (resid 33 and name C3')                                  
       (resid 33 and name O3')                                  
       (resid 34 and name P  )                                  
       (resid 34 and name O5')  1.0 -71 20  2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C  27          1H5*        C  27  44.080  13.626  -7.755
    2   2H5*    C  27          2H5*        C  27  43.973  12.090  -8.636
    3    H4*    C  27           H4*        C  27  45.073  13.546 -10.084
    4    H3*    C  27           H3*        C  27  47.029  11.693  -8.756
    5    H2*    C  27           H2*        C  27  48.809  12.769  -9.974
    6   2HO*    C  27          2HO*        C  27  48.350  13.563 -11.889
    7    H1*    C  27           H1*        C  27  47.923  15.369  -9.504
    8   1H4     C  27          H42         C  27  52.033  14.092  -4.809
    9   2H4     C  27          H41         C  27  50.701  13.540  -3.816
   10    H5     C  27           H5         C  27  48.445  13.312  -4.647
   11    H6     C  27           H6         C  27  46.997  13.585  -6.593
   12    H5T    C  27           H5T        C  27  44.821  11.365  -6.839
   13   1H5*    C  28          1H5*        C  28  48.023  11.755 -12.625
   14   2H5*    C  28          2H5*        C  28  48.054  10.147 -13.376
   15    H4*    C  28           H4*        C  28  50.063  11.149 -13.999
   16    H3*    C  28           H3*        C  28  50.555   9.228 -11.730
   17    H2*    C  28           H2*        C  28  52.898   9.780 -11.891
   18   2HO*    C  28          2HO*        C  28  53.664  10.366 -13.783
   19    H1*    C  28           H1*        C  28  52.481  12.531 -12.097
   20   1H4     C  28          H42         C  28  53.361  11.394  -5.900
   21   2H4     C  28          H41         C  28  51.622  11.232  -5.706
   22    H5     C  28           H5         C  28  50.093  11.208  -7.559
   23    H6     C  28           H6         C  28  49.889  11.392  -9.982
   24   1H5*    U  29          1H5*        U  29  53.375   8.566 -14.595
   25   2H5*    U  29          2H5*        U  29  53.512   6.854 -15.033
   26    H4*    U  29           H4*        U  29  55.697   7.679 -14.648
   27    H3*    U  29           H3*        U  29  54.768   5.889 -12.408
   28    H2*    U  29           H2*        U  29  56.923   6.208 -11.379
   29   2HO*    U  29          2HO*        U  29  58.617   6.727 -12.550
   30    H1*    U  29           H1*        U  29  57.001   8.962 -11.814
   31    H3     U  29           H3         U  29  56.301   8.043  -7.358
   32    H5     U  29           H5         U  29  52.505   8.371  -9.138
   33    H6     U  29           H6         U  29  53.595   8.329 -11.278
   34   1H5*    C  30          1H5*        C  30  58.637   4.982 -13.348
   35   2H5*    C  30          2H5*        C  30  58.849   3.242 -13.621
   36    H4*    C  30           H4*        C  30  60.564   4.021 -12.145
   37    H3*    C  30           H3*        C  30  58.529   2.235 -10.839
   38    H2*    C  30           H2*        C  30  59.748   2.453  -8.770
   39   2HO*    C  30          2HO*        C  30  61.837   2.861  -8.813
   40    H1*    C  30           H1*        C  30  60.130   5.210  -8.975
   41   1H4     C  30          H42         C  30  54.821   4.309  -5.571
   42   2H4     C  30          H41         C  30  53.870   4.425  -7.034
   43    H5     C  30           H5         C  30  54.868   4.580  -9.229
   44    H6     C  30           H6         C  30  56.971   4.682 -10.459
   45   1H5*    C  31          1H5*        C  31  62.150   1.105  -9.555
   46   2H5*    C  31          2H5*        C  31  62.499  -0.596  -9.920
   47    H4*    C  31           H4*        C  31  63.118  -0.314  -7.691
   48    H3*    C  31           H3*        C  31  60.442  -1.672  -7.875
   49    H2*    C  31           H2*        C  31  60.352  -1.741  -5.472
   50   2HO*    C  31          2HO*        C  31  62.206  -1.152  -4.241
   51    H1*    C  31           H1*        C  31  61.342   0.861  -5.087
   52   1H4     C  31          H42         C  31  55.003   1.272  -4.822
   53   2H4     C  31          H41         C  31  54.939   1.518  -6.555
   54    H5     C  31           H5         C  31  56.909   1.384  -7.965
   55    H6     C  31           H6         C  31  59.305   0.935  -7.999
   56   1H5*    C  32          1H5*        C  32  62.101  -3.513  -4.672
   57   2H5*    C  32          2H5*        C  32  62.270  -5.219  -5.127
   58    H4*    C  32           H4*        C  32  61.213  -4.844  -2.917
   59    H3*    C  32           H3*        C  32  59.822  -6.433  -5.040
   60    H2*    C  32           H2*        C  32  57.904  -6.698  -3.610
   61   2HO*    C  32          2HO*        C  32  58.903  -5.198  -1.503
   62    H1*    C  32           H1*        C  32  57.782  -4.051  -2.777
   63   1H4     C  32          H42         C  32  54.145  -4.100  -7.976
   64   2H4     C  32          H41         C  32  55.562  -3.953  -8.993
   65    H5     C  32           H5         C  32  57.820  -4.016  -8.120
   66    H6     C  32           H6         C  32  59.172  -4.236  -6.102
   67   1H5*    U  33          1H5*        U  33  59.658  -9.083  -0.925
   68   2H5*    U  33          2H5*        U  33  60.264 -10.521  -1.772
   69    H4*    U  33           H4*        U  33  58.347 -11.015  -0.338
   70    H3*    U  33           H3*        U  33  58.120 -11.514  -3.283
   71    H2*    U  33           H2*        U  33  55.835 -12.220  -2.999
   72   2HO*    U  33          2HO*        U  33  55.799 -13.360  -1.126
   73    H1*    U  33           H1*        U  33  55.084 -10.129  -1.333
   74    H3     U  33           H3         U  33  53.276  -9.009  -5.331
   75    H5     U  33           H5         U  33  57.321  -7.929  -5.658
   76    H6     U  33           H6         U  33  57.706  -9.027  -3.550
   77   1H5*  CM0  34          1H5*      CM0  34  56.974 -15.900  -2.649
   78   2H5*  CM0  34          2H5*      CM0  34  58.455 -16.472  -3.441
   79    H4*  CM0  34           H4*      CM0  34  57.442 -16.581  -5.540
   80    H3*  CM0  34           H3*      CM0  34  55.325 -14.744  -4.483
   81    H1*  CM0  34           H1*      CM0  34  54.491 -18.443  -5.268
   82    H2*  CM0  34           H2*      CM0  34  53.672 -15.844  -5.844
   83    H6   CM0  34           H6       CM0  34  55.243 -17.361  -2.184
   84    H3   CM0  34           H3       CM0  34  50.581 -16.953  -3.118
   85   1H7C  CM0  34          H7        CM0  34  55.384 -18.527   0.157
   86   2H7C  CM0  34          H8        CM0  34  53.770 -19.302   0.166
   87    HA   CM0  34          2HO*      CM0  34  54.686 -17.739  -7.147
   88   1H5*    A  35          1H5*        A  35  53.765 -12.296  -7.602
   89   2H5*    A  35          2H5*        A  35  53.444 -11.146  -6.289
   90    H4*    A  35           H4*        A  35  51.876 -13.387  -7.235
   91    H3*    A  35           H3*        A  35  51.195 -10.867  -6.553
   92    H2*    A  35           H2*        A  35  51.612 -11.074  -4.177
   93   2HO*    A  35          2HO*        A  35  49.240 -12.255  -3.694
   94    H1*    A  35           H1*        A  35  50.352 -13.864  -4.307
   95    H8     A  35           H8         A  35  53.887 -13.454  -3.194
   96   1H6     A  35          H62         A  35  51.821 -13.888   2.627
   97   2H6     A  35          H61         A  35  53.242 -13.871   1.606
   98    H2     A  35           H2         A  35  48.274 -13.433  -0.080
   99   1H5*    C  36          1H5*        C  36  47.533 -11.999  -4.479
  100   2H5*    C  36          2H5*        C  36  46.423 -11.834  -5.853
  101    H4*    C  36           H4*        C  36  45.260 -10.239  -4.853
  102    H3*    C  36           H3*        C  36  47.881  -8.877  -4.334
  103    H2*    C  36           H2*        C  36  46.852  -7.568  -2.595
  104   2HO*    C  36          2HO*        C  36  44.346  -8.588  -2.617
  105    H1*    C  36           H1*        C  36  45.445  -9.682  -1.436
  106   1H4     C  36          H42         C  36  50.865  -9.704   1.841
  107   2H4     C  36          H41         C  36  51.724 -10.413   0.493
  108    H5     C  36           H5         C  36  50.691 -10.812  -1.662
  109    H6     C  36           H6         C  36  48.630 -10.615  -2.952
  110   1H5*    A  37          1H5*        A  37  44.944  -5.790  -3.869
  111   2H5*    A  37          2H5*        A  37  45.811  -4.295  -4.272
  112    H4*    A  37           H4*        A  37  45.041  -4.702  -1.846
  113    H3*    A  37           H3*        A  37  47.679  -3.572  -2.691
  114    H2*    A  37           H2*        A  37  48.447  -3.570  -0.411
  115   2HO*    A  37          2HO*        A  37  45.830  -3.364   0.084
  116    H1*    A  37           H1*        A  37  47.549  -6.118   0.222
  117    H8     A  37           H8         A  37  48.585  -6.200  -3.379
  118   1H6     A  37          H62         A  37  54.359  -7.197  -1.377
  119   2H6     A  37          H61         A  37  53.309  -7.175  -2.776
  120    H2     A  37           H2         A  37  51.832  -6.085   2.158
  121   1H5*    A  38          1H5*        A  38  46.016  -1.045   0.722
  122   2H5*    A  38          2H5*        A  38  46.841   0.520   0.576
  123    H4*    A  38           H4*        A  38  47.126  -0.868   2.729
  124    H3*    A  38           H3*        A  38  49.291   0.610   1.288
  125    H2*    A  38           H2*        A  38  50.945  -0.282   2.793
  126   2HO*    A  38          2HO*        A  38  50.367  -0.801   4.775
  127    H1*    A  38           H1*        A  38  50.035  -2.900   2.733
  128    H8     A  38           H8         A  38  49.423  -1.413  -0.662
  129   1H6     A  38          H62         A  38  55.247  -2.997  -2.046
  130   2H6     A  38          H61         A  38  53.730  -2.409  -2.687
  131    H2     A  38           H2         A  38  54.654  -3.584   2.359
  132   1H5*    G  39          1H5*        G  39  50.536   1.141   4.670
  133   2H5*    G  39          2H5*        G  39  50.897   2.816   5.135
  134    H4*    G  39           H4*        G  39  52.896   1.530   5.305
  135    H3*    G  39           H3*        G  39  52.905   3.458   2.992
  136    H2*    G  39           H2*        G  39  55.162   2.738   2.510
  137   2HO*    G  39          2HO*        G  39  54.907   1.410   5.023
  138    H1*    G  39           H1*        G  39  54.603   0.016   2.787
  139    H8     G  39           H8         G  39  51.546   1.330   1.220
  140    H1     G  39           H1         G  39  56.444   0.916  -2.903
  141   1H2     G  39          H22         G  39  58.327   0.625  -1.836
  142   2H2     G  39          H21         G  39  58.391   0.497  -0.087
  143   1H5*    G  40          1H5*        G  40  56.422   3.886   4.775
  144   2H5*    G  40          2H5*        G  40  56.755   5.554   5.281
  145    H4*    G  40           H4*        G  40  58.673   4.833   4.151
  146    H3*    G  40           H3*        G  40  57.026   6.633   2.384
  147    H2*    G  40           H2*        G  40  58.725   6.389   0.691
  148   2HO*    G  40          2HO*        G  40  60.192   4.952   2.683
  149    H1*    G  40           H1*        G  40  58.993   3.628   1.009
  150    H8     G  40           H8         G  40  55.378   4.192   1.435
  151    H1     G  40           H1         G  40  57.249   4.475  -4.691
  152   1H2     G  40          H22         G  40  59.429   4.688  -4.807
  153   2H2     G  40          H21         G  40  60.442   4.721  -3.373
  154   1H5*    A  41          1H5*        A  41  60.965   7.627   2.250
  155   2H5*    A  41          2H5*        A  41  61.279   9.361   2.450
  156    H4*    A  41           H4*        A  41  62.517   8.580   0.575
  157    H3*    A  41           H3*        A  41  60.188  10.331  -0.178
  158    H2*    A  41           H2*        A  41  60.845  10.093  -2.490
  159   2HO*    A  41          2HO*        A  41  63.159   8.834  -1.379
  160    H1*    A  41           H1*        A  41  61.264   7.337  -2.349
  161    H8     A  41           H8         A  41  58.314   7.939  -0.171
  162   1H6     A  41          H62         A  41  54.874   8.130  -5.298
  163   2H6     A  41          H61         A  41  54.843   8.167  -3.544
  164    H2     A  41           H2         A  41  59.178   8.178  -6.525
  165   1H5*    G  42          1H5*        G  42  63.262  11.502  -2.456
  166   2H5*    G  42          2H5*        G  42  63.613  13.229  -2.248
  167    H4*    G  42           H4*        G  42  63.556  12.847  -4.560
  168    H3*    G  42           H3*        G  42  61.020  14.191  -3.642
  169    H2*    G  42           H2*        G  42  60.306  14.226  -5.946
  170   2HO*    G  42          2HO*        G  42  62.969  13.331  -6.485
  171    H1*    G  42           H1*        G  42  61.114  11.594  -6.485
  172    H8     G  42           H8         G  42  59.731  11.449  -3.067
  173    H1     G  42           H1         G  42  55.196  11.836  -7.589
  174   1H2     G  42          H22         G  42  56.089  12.359  -9.524
  175   2H2     G  42          H21         G  42  57.814  12.644  -9.690
  176   1H5*    G  43          1H5*        G  43  62.215  16.045  -7.014
  177   2H5*    G  43          2H5*        G  43  62.333  17.802  -6.799
  178    H4*    G  43           H4*        G  43  61.096  17.418  -8.773
  179    H3*    G  43           H3*        G  43  59.331  18.311  -6.502
  180    H2*    G  43           H2*        G  43  57.464  18.244  -8.021
  181   2HO*    G  43          2HO*        G  43  59.466  17.844 -10.026
  182    H1*    G  43           H1*        G  43  58.233  15.817  -9.236
  183    H8     G  43           H8         G  43  58.883  15.349  -5.626
  184    H1     G  43           H1         G  43  52.662  14.904  -7.140
  185   1H2     G  43          H22         G  43  52.319  15.664  -9.180
  186   2H2     G  43          H21         G  43  53.632  16.268 -10.173
  187    H3T    G  43           H3T        G  43  59.505  20.201  -7.493
  Start of MODEL    2
    1   1H5*    C  27          1H5*        C  27  44.008  13.447  -7.688
    2   2H5*    C  27          2H5*        C  27  43.949  11.926  -8.599
    3    H4*    C  27           H4*        C  27  45.016  13.439 -10.012
    4    H3*    C  27           H3*        C  27  47.015  11.614  -8.709
    5    H2*    C  27           H2*        C  27  48.771  12.762  -9.893
    6   2HO*    C  27          2HO*        C  27  48.303  13.580 -11.796
    7    H1*    C  27           H1*        C  27  47.813  15.328  -9.376
    8   1H4     C  27          H42         C  27  51.934  14.048  -4.691
    9   2H4     C  27          H41         C  27  50.612  13.448  -3.715
   10    H5     C  27           H5         C  27  48.362  13.186  -4.561
   11    H6     C  27           H6         C  27  46.918  13.464  -6.507
   12    H5T    C  27           H5T        C  27  45.299  11.035  -7.234
   13   1H5*    C  28          1H5*        C  28  48.028  11.793 -12.584
   14   2H5*    C  28          2H5*        C  28  48.100  10.197 -13.359
   15    H4*    C  28           H4*        C  28  50.080  11.269 -13.967
   16    H3*    C  28           H3*        C  28  50.619   9.308 -11.745
   17    H2*    C  28           H2*        C  28  52.947   9.922 -11.875
   18   2HO*    C  28          2HO*        C  28  53.741  10.657 -13.710
   19    H1*    C  28           H1*        C  28  52.466  12.668 -12.024
   20   1H4     C  28          H42         C  28  53.320  11.407  -5.845
   21   2H4     C  28          H41         C  28  51.583  11.206  -5.673
   22    H5     C  28           H5         C  28  50.072  11.188  -7.538
   23    H6     C  28           H6         C  28  49.886  11.419  -9.958
   24   1H5*    U  29          1H5*        U  29  53.487   8.777 -14.590
   25   2H5*    U  29          2H5*        U  29  53.641   7.078 -15.077
   26    H4*    U  29           H4*        U  29  55.815   7.889 -14.641
   27    H3*    U  29           H3*        U  29  54.856   6.066 -12.441
   28    H2*    U  29           H2*        U  29  57.001   6.361 -11.385
   29   2HO*    U  29          2HO*        U  29  58.707   6.884 -12.534
   30    H1*    U  29           H1*        U  29  57.090   9.122 -11.776
   31    H3     U  29           H3         U  29  56.353   8.151  -7.337
   32    H5     U  29           H5         U  29  52.571   8.467  -9.143
   33    H6     U  29           H6         U  29  53.677   8.473 -11.277
   34   1H5*    C  30          1H5*        C  30  58.722   5.151 -13.358
   35   2H5*    C  30          2H5*        C  30  58.925   3.414 -13.660
   36    H4*    C  30           H4*        C  30  60.629   4.147 -12.151
   37    H3*    C  30           H3*        C  30  58.557   2.370 -10.890
   38    H2*    C  30           H2*        C  30  59.761   2.543  -8.808
   39   2HO*    C  30          2HO*        C  30  61.859   2.900  -8.841
   40    H1*    C  30           H1*        C  30  60.185   5.298  -8.976
   41   1H4     C  30          H42         C  30  54.848   4.438  -5.613
   42   2H4     C  30          H41         C  30  53.904   4.582  -7.079
   43    H5     C  30           H5         C  30  54.917   4.739  -9.268
   44    H6     C  30           H6         C  30  57.028   4.824 -10.485
   45   1H5*    C  31          1H5*        C  31  62.177   1.120  -9.597
   46   2H5*    C  31          2H5*        C  31  62.451  -0.594  -9.965
   47    H4*    C  31           H4*        C  31  63.063  -0.332  -7.728
   48    H3*    C  31           H3*        C  31  60.341  -1.597  -7.938
   49    H2*    C  31           H2*        C  31  60.254  -1.690  -5.533
   50   2HO*    C  31          2HO*        C  31  62.954  -0.749  -5.548
   51    H1*    C  31           H1*        C  31  61.310   0.883  -5.133
   52   1H4     C  31          H42         C  31  54.977   1.398  -4.891
   53   2H4     C  31          H41         C  31  54.921   1.663  -6.623
   54    H5     C  31           H5         C  31  56.897   1.511  -8.025
   55    H6     C  31           H6         C  31  59.285   1.025  -8.052
   56   1H5*    C  32          1H5*        C  32  61.543  -3.573  -4.982
   57   2H5*    C  32          2H5*        C  32  61.674  -5.297  -5.380
   58    H4*    C  32           H4*        C  32  60.323  -4.614  -3.315
   59    H3*    C  32           H3*        C  32  59.417  -6.612  -5.360
   60    H2*    C  32           H2*        C  32  57.332  -6.863  -4.179
   61   2HO*    C  32          2HO*        C  32  57.217  -5.350  -2.187
   62    H1*    C  32           H1*        C  32  56.899  -4.140  -3.788
   63   1H4     C  32          H42         C  32  54.021  -5.372  -9.315
   64   2H4     C  32          H41         C  32  55.533  -5.142 -10.165
   65    H5     C  32           H5         C  32  57.640  -4.776  -9.028
   66    H6     C  32           H6         C  32  58.720  -4.565  -6.849
   67   1H5*    U  33          1H5*        U  33  59.004  -8.896  -0.959
   68   2H5*    U  33          2H5*        U  33  59.834 -10.312  -1.631
   69    H4*    U  33           H4*        U  33  57.812 -10.889  -0.366
   70    H3*    U  33           H3*        U  33  58.000 -11.647  -3.259
   71    H2*    U  33           H2*        U  33  55.783 -12.594  -3.153
   72   2HO*    U  33          2HO*        U  33  55.924 -13.511  -1.062
   73    H1*    U  33           H1*        U  33  54.628 -10.452  -1.824
   74    H3     U  33           H3         U  33  53.308 -10.000  -6.149
   75    H5     U  33           H5         U  33  57.153  -8.318  -6.005
   76    H6     U  33           H6         U  33  57.358  -9.171  -3.764
   77   1H5*  CM0  34          1H5*      CM0  34  57.533 -16.321  -2.709
   78   2H5*  CM0  34          2H5*      CM0  34  59.091 -16.433  -3.552
   79    H4*  CM0  34           H4*      CM0  34  58.077 -16.353  -5.670
   80    H3*  CM0  34           H3*      CM0  34  55.643 -15.291  -4.312
   81    H1*  CM0  34           H1*      CM0  34  55.601 -18.943  -5.631
   82    H2*  CM0  34           H2*      CM0  34  54.196 -16.558  -5.751
   83    H6   CM0  34           H6       CM0  34  56.459 -18.357  -2.503
   84    H3   CM0  34           H3       CM0  34  51.711 -18.512  -2.953
   85   1H7C  CM0  34          H7        CM0  34  56.541 -20.555  -0.171
   86   2H7C  CM0  34          H8        CM0  34  54.819 -20.981  -0.420
   87    HA   CM0  34          2HO*      CM0  34  56.602 -16.985  -7.219
   88   1H5*    A  35          1H5*        A  35  52.935 -15.247  -7.161
   89   2H5*    A  35          2H5*        A  35  52.641 -13.497  -7.194
   90    H4*    A  35           H4*        A  35  50.805 -15.057  -6.294
   91    H3*    A  35           H3*        A  35  51.658 -12.504  -4.944
   92    H2*    A  35           H2*        A  35  50.057 -12.932  -3.218
   93   2HO*    A  35          2HO*        A  35  49.044 -15.185  -4.591
   94    H1*    A  35           H1*        A  35  50.453 -15.757  -3.172
   95    H8     A  35           H8         A  35  53.864 -14.787  -2.963
   96   1H6     A  35          H62         A  35  53.007 -12.823   2.845
   97   2H6     A  35          H61         A  35  54.197 -13.260   1.638
   98    H2     A  35           H2         A  35  48.980 -13.346   0.945
   99   1H5*    C  36          1H5*        C  36  46.999 -12.129  -5.142
  100   2H5*    C  36          2H5*        C  36  47.068 -10.753  -6.261
  101    H4*    C  36           H4*        C  36  45.444 -10.241  -4.633
  102    H3*    C  36           H3*        C  36  47.979  -8.676  -4.333
  103    H2*    C  36           H2*        C  36  47.117  -7.620  -2.350
  104   2HO*    C  36          2HO*        C  36  45.012  -7.232  -2.560
  105    H1*    C  36           H1*        C  36  46.105  -9.936  -1.190
  106   1H4     C  36          H42         C  36  52.043  -9.578   1.036
  107   2H4     C  36          H41         C  36  52.631 -10.431  -0.374
  108    H5     C  36           H5         C  36  51.211 -11.004  -2.252
  109    H6     C  36           H6         C  36  48.948 -10.872  -3.153
  110   1H5*    A  37          1H5*        A  37  45.156  -5.326  -3.982
  111   2H5*    A  37          2H5*        A  37  46.169  -3.950  -4.459
  112    H4*    A  37           H4*        A  37  45.386  -4.176  -2.007
  113    H3*    A  37           H3*        A  37  48.105  -3.334  -2.929
  114    H2*    A  37           H2*        A  37  48.901  -3.301  -0.659
  115   2HO*    A  37          2HO*        A  37  46.159  -3.193  -0.158
  116    H1*    A  37           H1*        A  37  47.769  -5.719   0.102
  117    H8     A  37           H8         A  37  48.718  -6.237  -3.451
  118   1H6     A  37          H62         A  37  54.485  -7.358  -1.493
  119   2H6     A  37          H61         A  37  53.391  -7.436  -2.856
  120    H2     A  37           H2         A  37  52.153  -5.666   1.942
  121   1H5*    A  38          1H5*        A  38  46.464  -1.357   0.259
  122   2H5*    A  38          2H5*        A  38  46.738   0.387   0.442
  123    H4*    A  38           H4*        A  38  47.246  -0.883   2.478
  124    H3*    A  38           H3*        A  38  49.397   0.737   1.172
  125    H2*    A  38           H2*        A  38  50.993  -0.023   2.804
  126   2HO*    A  38          2HO*        A  38  50.369  -0.851   4.714
  127    H1*    A  38           H1*        A  38  50.238  -2.701   2.747
  128    H8     A  38           H8         A  38  49.924  -1.198  -0.708
  129   1H6     A  38          H62         A  38  55.877  -2.710  -1.500
  130   2H6     A  38          H61         A  38  54.428  -2.124  -2.287
  131    H2     A  38           H2         A  38  54.834  -3.373   2.810
  132   1H5*    G  39          1H5*        G  39  50.472   1.319   4.647
  133   2H5*    G  39          2H5*        G  39  50.854   3.011   5.024
  134    H4*    G  39           H4*        G  39  52.827   1.646   5.231
  135    H3*    G  39           H3*        G  39  52.885   3.600   2.939
  136    H2*    G  39           H2*        G  39  55.135   2.847   2.473
  137   2HO*    G  39          2HO*        G  39  54.841   1.404   4.924
  138    H1*    G  39           H1*        G  39  54.527   0.133   2.721
  139    H8     G  39           H8         G  39  51.515   1.517   1.130
  140    H1     G  39           H1         G  39  56.444   1.030  -2.945
  141   1H2     G  39          H22         G  39  58.311   0.700  -1.861
  142   2H2     G  39          H21         G  39  58.354   0.564  -0.112
  143   1H5*    G  40          1H5*        G  40  56.399   3.933   4.730
  144   2H5*    G  40          2H5*        G  40  56.757   5.587   5.267
  145    H4*    G  40           H4*        G  40  58.669   4.866   4.136
  146    H3*    G  40           H3*        G  40  57.048   6.701   2.384
  147    H2*    G  40           H2*        G  40  58.746   6.455   0.689
  148   2HO*    G  40          2HO*        G  40  60.197   4.996   2.675
  149    H1*    G  40           H1*        G  40  58.992   3.689   0.985
  150    H8     G  40           H8         G  40  55.379   4.298   1.399
  151    H1     G  40           H1         G  40  57.277   4.564  -4.719
  152   1H2     G  40          H22         G  40  59.460   4.739  -4.823
  153   2H2     G  40          H21         G  40  60.470   4.751  -3.388
  154   1H5*    A  41          1H5*        A  41  60.988   7.677   2.268
  155   2H5*    A  41          2H5*        A  41  61.312   9.404   2.506
  156    H4*    A  41           H4*        A  41  62.547   8.674   0.615
  157    H3*    A  41           H3*        A  41  60.203  10.413  -0.116
  158    H2*    A  41           H2*        A  41  60.860  10.210  -2.431
  159   2HO*    A  41          2HO*        A  41  63.190   8.966  -1.337
  160    H1*    A  41           H1*        A  41  61.311   7.456  -2.324
  161    H8     A  41           H8         A  41  58.350   8.018  -0.146
  162   1H6     A  41          H62         A  41  54.924   8.209  -5.278
  163   2H6     A  41          H61         A  41  54.891   8.247  -3.521
  164    H2     A  41           H2         A  41  59.230   8.306  -6.496
  165   1H5*    G  42          1H5*        G  42  63.239  11.656  -2.376
  166   2H5*    G  42          2H5*        G  42  63.573  13.384  -2.147
  167    H4*    G  42           H4*        G  42  63.497  13.044  -4.463
  168    H3*    G  42           H3*        G  42  60.935  14.314  -3.509
  169    H2*    G  42           H2*        G  42  60.220  14.381  -5.812
  170   2HO*    G  42          2HO*        G  42  62.911  13.583  -6.350
  171    H1*    G  42           H1*        G  42  61.087  11.775  -6.397
  172    H8     G  42           H8         G  42  59.695  11.538  -2.990
  173    H1     G  42           H1         G  42  55.166  11.938  -7.519
  174   1H2     G  42          H22         G  42  56.052  12.510  -9.434
  175   2H2     G  42          H21         G  42  57.773  12.820  -9.599
  176   1H5*    G  43          1H5*        G  43  62.076  16.269  -6.827
  177   2H5*    G  43          2H5*        G  43  62.164  18.024  -6.577
  178    H4*    G  43           H4*        G  43  60.929  17.665  -8.553
  179    H3*    G  43           H3*        G  43  59.147  18.458  -6.259
  180    H2*    G  43           H2*        G  43  57.279  18.386  -7.778
  181   2HO*    G  43          2HO*        G  43  59.315  18.157  -9.772
  182    H1*    G  43           H1*        G  43  58.109  16.013  -9.061
  183    H8     G  43           H8         G  43  58.761  15.456  -5.466
  184    H1     G  43           H1         G  43  52.553  14.926  -7.008
  185   1H2     G  43          H22         G  43  52.200  15.730  -9.030
  186   2H2     G  43          H21         G  43  53.505  16.383 -10.001
  187    H3T    G  43           H3T        G  43  59.340  20.071  -8.376
  Start of MODEL    3
    1   1H5*    C  27          1H5*        C  27  43.920  13.579  -7.555
    2   2H5*    C  27          2H5*        C  27  43.796  12.042  -8.433
    3    H4*    C  27           H4*        C  27  44.859  13.496  -9.908
    4    H3*    C  27           H3*        C  27  46.853  11.655  -8.621
    5    H2*    C  27           H2*        C  27  48.600  12.735  -9.880
    6   2HO*    C  27          2HO*        C  27  48.093  13.522 -11.787
    7    H1*    C  27           H1*        C  27  47.712  15.334  -9.398
    8   1H4     C  27          H42         C  27  51.934  14.094  -4.795
    9   2H4     C  27          H41         C  27  50.629  13.537  -3.770
   10    H5     C  27           H5         C  27  48.354  13.292  -4.549
   11    H6     C  27           H6         C  27  46.862  13.551  -6.463
   12    H5T    C  27           H5T        C  27  45.046  12.584  -6.110
   13   1H5*    C  28          1H5*        C  28  47.761  11.720 -12.522
   14   2H5*    C  28          2H5*        C  28  47.785  10.108 -13.263
   15    H4*    C  28           H4*        C  28  49.772  11.123 -13.939
   16    H3*    C  28           H3*        C  28  50.330   9.209 -11.682
   17    H2*    C  28           H2*        C  28  52.665   9.776 -11.898
   18   2HO*    C  28          2HO*        C  28  53.381  10.357 -13.810
   19    H1*    C  28           H1*        C  28  52.227  12.524 -12.095
   20   1H4     C  28          H42         C  28  53.246  11.403  -5.917
   21   2H4     C  28          H41         C  28  51.512  11.232  -5.686
   22    H5     C  28           H5         C  28  49.945  11.196  -7.504
   23    H6     C  28           H6         C  28  49.688  11.370  -9.923
   24   1H5*    U  29          1H5*        U  29  53.091   8.559 -14.607
   25   2H5*    U  29          2H5*        U  29  53.226   6.846 -15.045
   26    H4*    U  29           H4*        U  29  55.414   7.679 -14.711
   27    H3*    U  29           H3*        U  29  54.544   5.889 -12.449
   28    H2*    U  29           H2*        U  29  56.715   6.222 -11.464
   29   2HO*    U  29          2HO*        U  29  58.385   6.739 -12.670
   30    H1*    U  29           H1*        U  29  56.776   8.975 -11.910
   31    H3     U  29           H3         U  29  56.180   8.072  -7.437
   32    H5     U  29           H5         U  29  52.344   8.372  -9.132
   33    H6     U  29           H6         U  29  53.385   8.330 -11.297
   34   1H5*    C  30          1H5*        C  30  58.404   4.998 -13.455
   35   2H5*    C  30          2H5*        C  30  58.612   3.256 -13.724
   36    H4*    C  30           H4*        C  30  60.351   4.044 -12.278
   37    H3*    C  30           H3*        C  30  58.342   2.258 -10.934
   38    H2*    C  30           H2*        C  30  59.594   2.484  -8.886
   39   2HO*    C  30          2HO*        C  30  61.681   2.892  -8.968
   40    H1*    C  30           H1*        C  30  59.968   5.241  -9.106
   41   1H4     C  30          H42         C  30  54.718   4.339  -5.612
   42   2H4     C  30          H41         C  30  53.742   4.448  -7.059
   43    H5     C  30           H5         C  30  54.702   4.598  -9.271
   44    H6     C  30           H6         C  30  56.785   4.699 -10.535
   45   1H5*    C  31          1H5*        C  31  61.984   1.137  -9.707
   46   2H5*    C  31          2H5*        C  31  62.329  -0.565 -10.075
   47    H4*    C  31           H4*        C  31  62.986  -0.287  -7.860
   48    H3*    C  31           H3*        C  31  60.293  -1.623  -7.982
   49    H2*    C  31           H2*        C  31  60.272  -1.695  -5.574
   50   2HO*    C  31          2HO*        C  31  62.103  -1.448  -4.395
   51    H1*    C  31           H1*        C  31  61.260   0.909  -5.224
   52   1H4     C  31          H42         C  31  54.926   1.308  -4.858
   53   2H4     C  31          H41         C  31  54.832   1.547  -6.591
   54    H5     C  31           H5         C  31  56.779   1.410  -8.033
   55    H6     C  31           H6         C  31  59.176   0.966  -8.105
   56   1H5*    C  32          1H5*        C  32  62.336  -3.239  -5.009
   57   2H5*    C  32          2H5*        C  32  62.775  -4.909  -5.422
   58    H4*    C  32           H4*        C  32  62.158  -4.802  -3.114
   59    H3*    C  32           H3*        C  32  60.235  -6.293  -4.874
   60    H2*    C  32           H2*        C  32  58.846  -6.722  -2.956
   61   2HO*    C  32          2HO*        C  32  61.069  -6.759  -1.662
   62    H1*    C  32           H1*        C  32  59.033  -4.137  -1.893
   63   1H4     C  32          H42         C  32  53.750  -3.803  -5.370
   64   2H4     C  32          H41         C  32  54.677  -3.791  -6.853
   65    H5     C  32           H5         C  32  57.086  -4.044  -6.902
   66    H6     C  32           H6         C  32  59.086  -4.355  -5.539
   67   1H5*    U  33          1H5*        U  33  60.509  -9.029  -1.354
   68   2H5*    U  33          2H5*        U  33  61.341 -10.357  -2.187
   69    H4*    U  33           H4*        U  33  59.628 -11.361  -0.958
   70    H3*    U  33           H3*        U  33  58.971 -11.197  -3.875
   71    H2*    U  33           H2*        U  33  56.802 -12.153  -3.458
   72   2HO*    U  33          2HO*        U  33  56.999 -13.669  -1.925
   73    H1*    U  33           H1*        U  33  56.201 -10.578  -1.251
   74    H3     U  33           H3         U  33  53.713  -8.589  -4.436
   75    H5     U  33           H5         U  33  57.640  -7.404  -5.333
   76    H6     U  33           H6         U  33  58.405  -8.913  -3.620
   77   1H5*  CM0  34          1H5*      CM0  34  57.659 -15.135  -3.241
   78   2H5*  CM0  34          2H5*      CM0  34  58.934 -16.094  -4.020
   79    H4*  CM0  34           H4*      CM0  34  57.571 -16.256  -6.044
   80    H3*  CM0  34           H3*      CM0  34  55.682 -14.455  -4.606
   81    H1*  CM0  34           H1*      CM0  34  54.855 -18.242  -4.686
   82    H2*  CM0  34           H2*      CM0  34  53.781 -15.766  -5.273
   83    H6   CM0  34           H6       CM0  34  56.618 -16.926  -2.201
   84    H3   CM0  34           H3       CM0  34  51.935 -16.341  -1.483
   85   1H7C  CM0  34          H7        CM0  34  57.151 -18.196   0.026
   86   2H7C  CM0  34          H8        CM0  34  55.898 -18.264   1.304
   87    HA   CM0  34          2HO*      CM0  34  54.182 -17.614  -6.708
   88   1H5*    A  35          1H5*        A  35  53.155 -12.490  -7.549
   89   2H5*    A  35          2H5*        A  35  53.056 -11.203  -6.331
   90    H4*    A  35           H4*        A  35  51.451 -13.577  -6.655
   91    H3*    A  35           H3*        A  35  50.774 -11.063  -6.065
   92    H2*    A  35           H2*        A  35  51.874 -10.923  -3.912
   93   2HO*    A  35          2HO*        A  35  49.887 -12.059  -2.555
   94    H1*    A  35           H1*        A  35  50.839 -13.723  -3.255
   95    H8     A  35           H8         A  35  54.499 -12.787  -3.504
   96   1H6     A  35          H62         A  35  54.560 -12.919   2.688
   97   2H6     A  35          H61         A  35  55.543 -12.797   1.246
   98    H2     A  35           H2         A  35  50.303 -13.281   1.328
   99   1H5*    C  36          1H5*        C  36  48.048 -12.272  -2.885
  100   2H5*    C  36          2H5*        C  36  46.577 -12.425  -3.865
  101    H4*    C  36           H4*        C  36  45.488 -11.017  -2.563
  102    H3*    C  36           H3*        C  36  47.703  -9.084  -3.163
  103    H2*    C  36           H2*        C  36  47.015  -7.736  -1.290
  104   2HO*    C  36          2HO*        C  36  44.983  -9.274  -0.341
  105    H1*    C  36           H1*        C  36  46.661  -9.865   0.479
  106   1H4     C  36          H42         C  36  52.677  -8.193   1.545
  107   2H4     C  36          H41         C  36  53.191  -8.940   0.048
  108    H5     C  36           H5         C  36  51.639  -9.919  -1.534
  109    H6     C  36           H6         C  36  49.288 -10.374  -1.999
  110   1H5*    A  37          1H5*        A  37  44.517  -5.943  -3.001
  111   2H5*    A  37          2H5*        A  37  45.450  -4.644  -3.771
  112    H4*    A  37           H4*        A  37  44.948  -4.620  -1.202
  113    H3*    A  37           H3*        A  37  47.423  -3.689  -2.601
  114    H2*    A  37           H2*        A  37  48.530  -3.334  -0.493
  115   2HO*    A  37          2HO*        A  37  45.992  -3.067   0.358
  116    H1*    A  37           H1*        A  37  47.786  -5.740   0.658
  117    H8     A  37           H8         A  37  48.167  -6.482  -2.980
  118   1H6     A  37          H62         A  37  54.242  -7.087  -1.942
  119   2H6     A  37          H61         A  37  52.951  -7.331  -3.098
  120    H2     A  37           H2         A  37  52.372  -5.308   1.726
  121   1H5*    A  38          1H5*        A  38  45.964  -0.644   0.607
  122   2H5*    A  38          2H5*        A  38  46.960   0.809   0.389
  123    H4*    A  38           H4*        A  38  47.053  -0.622   2.596
  124    H3*    A  38           H3*        A  38  49.292   0.848   1.256
  125    H2*    A  38           H2*        A  38  50.861  -0.076   2.831
  126   2HO*    A  38          2HO*        A  38  49.038   0.062   4.534
  127    H1*    A  38           H1*        A  38  49.893  -2.681   2.723
  128    H8     A  38           H8         A  38  49.547  -1.192  -0.706
  129   1H6     A  38          H62         A  38  55.422  -2.883  -1.684
  130   2H6     A  38          H61         A  38  53.963  -2.269  -2.428
  131    H2     A  38           H2         A  38  54.516  -3.450   2.672
  132   1H5*    G  39          1H5*        G  39  50.579   1.275   4.709
  133   2H5*    G  39          2H5*        G  39  50.957   2.965   5.102
  134    H4*    G  39           H4*        G  39  52.945   1.636   5.279
  135    H3*    G  39           H3*        G  39  52.945   3.556   2.960
  136    H2*    G  39           H2*        G  39  55.194   2.816   2.462
  137   2HO*    G  39          2HO*        G  39  54.946   1.512   4.986
  138    H1*    G  39           H1*        G  39  54.614   0.101   2.753
  139    H8     G  39           H8         G  39  51.554   1.426   1.208
  140    H1     G  39           H1         G  39  56.409   0.971  -2.959
  141   1H2     G  39          H22         G  39  58.301   0.684  -1.912
  142   2H2     G  39          H21         G  39  58.383   0.563  -0.162
  143   1H5*    G  40          1H5*        G  40  56.479   3.973   4.695
  144   2H5*    G  40          2H5*        G  40  56.825   5.638   5.199
  145    H4*    G  40           H4*        G  40  58.727   4.922   4.047
  146    H3*    G  40           H3*        G  40  57.058   6.714   2.296
  147    H2*    G  40           H2*        G  40  58.728   6.463   0.578
  148   2HO*    G  40          2HO*        G  40  60.225   5.034   2.553
  149    H1*    G  40           H1*        G  40  59.002   3.703   0.901
  150    H8     G  40           H8         G  40  55.393   4.271   1.386
  151    H1     G  40           H1         G  40  57.160   4.515  -4.773
  152   1H2     G  40          H22         G  40  59.338   4.733  -4.926
  153   2H2     G  40          H21         G  40  60.374   4.773  -3.509
  154   1H5*    A  41          1H5*        A  41  60.995   7.708   2.095
  155   2H5*    A  41          2H5*        A  41  61.310   9.442   2.288
  156    H4*    A  41           H4*        A  41  62.518   8.659   0.394
  157    H3*    A  41           H3*        A  41  60.177  10.407  -0.326
  158    H2*    A  41           H2*        A  41  60.791  10.162  -2.647
  159   2HO*    A  41          2HO*        A  41  63.113   8.850  -1.608
  160    H1*    A  41           H1*        A  41  61.224   7.406  -2.504
  161    H8     A  41           H8         A  41  58.307   8.010  -0.282
  162   1H6     A  41          H62         A  41  54.788   8.155  -5.358
  163   2H6     A  41          H61         A  41  54.782   8.203  -3.602
  164    H2     A  41           H2         A  41  59.070   8.221  -6.651
  165   1H5*    G  42          1H5*        G  42  63.204  11.565  -2.669
  166   2H5*    G  42          2H5*        G  42  63.558  13.293  -2.476
  167    H4*    G  42           H4*        G  42  63.453  12.900  -4.785
  168    H3*    G  42           H3*        G  42  60.934  14.245  -3.823
  169    H2*    G  42           H2*        G  42  60.176  14.270  -6.112
  170   2HO*    G  42          2HO*        G  42  62.841  13.408  -6.681
  171    H1*    G  42           H1*        G  42  60.978  11.636  -6.655
  172    H8     G  42           H8         G  42  59.656  11.505  -3.213
  173    H1     G  42           H1         G  42  55.042  11.857  -7.657
  174   1H2     G  42          H22         G  42  55.898  12.376  -9.607
  175   2H2     G  42          H21         G  42  57.619  12.665  -9.807
  176   1H5*    G  43          1H5*        G  43  62.054  16.091  -7.229
  177   2H5*    G  43          2H5*        G  43  62.170  17.849  -7.018
  178    H4*    G  43           H4*        G  43  60.893  17.457  -8.965
  179    H3*    G  43           H3*        G  43  59.173  18.347  -6.660
  180    H2*    G  43           H2*        G  43  57.275  18.272  -8.141
  181   2HO*    G  43          2HO*        G  43  59.219  17.837 -10.196
  182    H1*    G  43           H1*        G  43  58.029  15.846  -9.367
  183    H8     G  43           H8         G  43  58.754  15.387  -5.772
  184    H1     G  43           H1         G  43  52.506  14.905  -7.155
  185   1H2     G  43          H22         G  43  52.117  15.662  -9.188
  186   2H2     G  43          H21         G  43  53.405  16.271 -10.208
  187    H3T    G  43           H3T        G  43  60.201  20.014  -7.283
  Start of MODEL    4
    1   1H5*    C  27          1H5*        C  27  43.959  13.167  -7.578
    2   2H5*    C  27          2H5*        C  27  44.114  11.577  -8.348
    3    H4*    C  27           H4*        C  27  45.133  13.227  -9.740
    4    H3*    C  27           H3*        C  27  47.082  11.341  -8.441
    5    H2*    C  27           H2*        C  27  48.862  12.482  -9.595
    6   2HO*    C  27          2HO*        C  27  48.415  13.336 -11.488
    7    H1*    C  27           H1*        C  27  47.925  15.052  -9.043
    8   1H4     C  27          H42         C  27  52.036  13.669  -4.376
    9   2H4     C  27          H41         C  27  50.709  13.059  -3.412
   10    H5     C  27           H5         C  27  48.458  12.828  -4.262
   11    H6     C  27           H6         C  27  47.015  13.153  -6.203
   12    H5T    C  27           H5T        C  27  46.202  11.633  -6.930
   13   1H5*    C  28          1H5*        C  28  48.126  11.578 -12.323
   14   2H5*    C  28          2H5*        C  28  48.186   9.991 -13.116
   15    H4*    C  28           H4*        C  28  50.175  11.058 -13.707
   16    H3*    C  28           H3*        C  28  50.694   9.056 -11.516
   17    H2*    C  28           H2*        C  28  53.027   9.653 -11.634
   18   2HO*    C  28          2HO*        C  28  53.833  10.420 -13.448
   19    H1*    C  28           H1*        C  28  52.570  12.405 -11.740
   20   1H4     C  28          H42         C  28  53.407  11.040  -5.579
   21   2H4     C  28          H41         C  28  51.667  10.848  -5.415
   22    H5     C  28           H5         C  28  50.161  10.870  -7.280
   23    H6     C  28           H6         C  28  49.979  11.144  -9.697
   24   1H5*    U  29          1H5*        U  29  53.564   8.557 -14.369
   25   2H5*    U  29          2H5*        U  29  53.710   6.865 -14.880
   26    H4*    U  29           H4*        U  29  55.887   7.663 -14.432
   27    H3*    U  29           H3*        U  29  54.923   5.802 -12.267
   28    H2*    U  29           H2*        U  29  57.068   6.072 -11.203
   29   2HO*    U  29          2HO*        U  29  58.776   6.611 -12.341
   30    H1*    U  29           H1*        U  29  57.167   8.839 -11.544
   31    H3     U  29           H3         U  29  56.420   7.790  -7.125
   32    H5     U  29           H5         U  29  52.640   8.155  -8.930
   33    H6     U  29           H6         U  29  53.749   8.194 -11.061
   34   1H5*    C  30          1H5*        C  30  58.790   4.893 -13.192
   35   2H5*    C  30          2H5*        C  30  58.987   3.162 -13.525
   36    H4*    C  30           H4*        C  30  60.690   3.860 -12.003
   37    H3*    C  30           H3*        C  30  58.610   2.070 -10.776
   38    H2*    C  30           H2*        C  30  59.813   2.200  -8.690
   39   2HO*    C  30          2HO*        C  30  61.909   2.559  -8.706
   40    H1*    C  30           H1*        C  30  60.246   4.955  -8.807
   41   1H4     C  30          H42         C  30  54.899   4.062  -5.472
   42   2H4     C  30          H41         C  30  53.958   4.234  -6.938
   43    H5     C  30           H5         C  30  54.976   4.424  -9.121
   44    H6     C  30           H6         C  30  57.090   4.520 -10.332
   45   1H5*    C  31          1H5*        C  31  62.196   0.819  -9.492
   46   2H5*    C  31          2H5*        C  31  62.507  -0.879  -9.904
   47    H4*    C  31           H4*        C  31  63.104  -0.688  -7.663
   48    H3*    C  31           H3*        C  31  60.381  -1.944  -7.904
   49    H2*    C  31           H2*        C  31  60.290  -2.093  -5.503
   50   2HO*    C  31          2HO*        C  31  62.092  -1.965  -4.272
   51    H1*    C  31           H1*        C  31  61.345   0.468  -5.041
   52   1H4     C  31          H42         C  31  55.016   1.010  -4.805
   53   2H4     C  31          H41         C  31  54.964   1.301  -6.532
   54    H5     C  31           H5         C  31  56.943   1.166  -7.933
   55    H6     C  31           H6         C  31  59.330   0.669  -7.966
   56   1H5*    C  32          1H5*        C  32  62.562  -4.749  -5.427
   57   2H5*    C  32          2H5*        C  32  61.851  -6.354  -5.681
   58    H4*    C  32           H4*        C  32  61.720  -5.181  -3.353
   59    H3*    C  32           H3*        C  32  59.596  -6.845  -4.658
   60    H2*    C  32           H2*        C  32  58.085  -6.346  -2.852
   61   2HO*    C  32          2HO*        C  32  60.260  -4.977  -1.600
   62    H1*    C  32           H1*        C  32  58.648  -3.622  -2.738
   63   1H4     C  32          H42         C  32  53.793  -3.964  -6.812
   64   2H4     C  32          H41         C  32  54.892  -4.341  -8.118
   65    H5     C  32           H5         C  32  57.261  -4.715  -7.778
   66    H6     C  32           H6         C  32  59.048  -4.800  -6.119
   67   1H5*    U  33          1H5*        U  33  59.140  -8.804  -0.474
   68   2H5*    U  33          2H5*        U  33  59.715 -10.369  -1.077
   69    H4*    U  33           H4*        U  33  57.610 -10.556   0.148
   70    H3*    U  33           H3*        U  33  57.707 -11.390  -2.724
   71    H2*    U  33           H2*        U  33  55.350 -11.869  -2.698
   72   2HO*    U  33          2HO*        U  33  55.630 -12.630  -0.349
   73    H1*    U  33           H1*        U  33  54.578  -9.553  -1.374
   74    H3     U  33           H3         U  33  53.505  -9.079  -5.799
   75    H5     U  33           H5         U  33  57.449  -7.689  -5.412
   76    H6     U  33           H6         U  33  57.461  -8.574  -3.174
   77   1H5*  CM0  34          1H5*      CM0  34  55.649 -15.077  -1.975
   78   2H5*  CM0  34          2H5*      CM0  34  57.097 -16.099  -1.906
   79    H4*  CM0  34           H4*      CM0  34  56.891 -16.658  -4.227
   80    H3*  CM0  34           H3*      CM0  34  54.744 -14.568  -4.350
   81    H1*  CM0  34           H1*      CM0  34  53.842 -18.327  -4.465
   82    H2*  CM0  34           H2*      CM0  34  53.489 -15.947  -5.874
   83    H6   CM0  34           H6       CM0  34  53.674 -16.691  -1.615
   84    H3   CM0  34           H3       CM0  34  49.656 -16.128  -4.125
   85   1H7C  CM0  34          H7        CM0  34  50.495 -17.757   0.622
   86   2H7C  CM0  34          H8        CM0  34  51.889 -17.228   1.611
   87    HA   CM0  34          2HO*      CM0  34  54.441 -17.916  -6.655
   88   1H5*    A  35          1H5*        A  35  53.836 -11.629  -6.591
   89   2H5*    A  35          2H5*        A  35  53.566 -12.382  -5.007
   90    H4*    A  35           H4*        A  35  51.835 -13.042  -7.363
   91    H3*    A  35           H3*        A  35  51.846 -10.453  -6.731
   92    H2*    A  35           H2*        A  35  51.538 -10.693  -4.343
   93   2HO*    A  35          2HO*        A  35  48.850 -10.961  -4.625
   94    H1*    A  35           H1*        A  35  49.420 -12.832  -4.862
   95    H8     A  35           H8         A  35  52.723 -13.228  -2.991
   96   1H6     A  35          H62         A  35  49.270 -13.564   2.139
   97   2H6     A  35          H61         A  35  50.885 -13.721   1.483
   98    H2     A  35           H2         A  35  46.579 -12.485  -1.283
   99   1H5*    C  36          1H5*        C  36  47.520 -10.883  -5.934
  100   2H5*    C  36          2H5*        C  36  46.850 -10.294  -7.469
  101    H4*    C  36           H4*        C  36  45.509  -8.945  -6.359
  102    H3*    C  36           H3*        C  36  48.057  -7.656  -5.416
  103    H2*    C  36           H2*        C  36  46.790  -6.439  -3.775
  104   2HO*    C  36          2HO*        C  36  44.454  -6.586  -3.832
  105    H1*    C  36           H1*        C  36  45.128  -8.598  -3.051
  106   1H4     C  36          H42         C  36  49.629  -8.818   1.392
  107   2H4     C  36          H41         C  36  50.825  -9.336   0.225
  108    H5     C  36           H5         C  36  50.350  -9.540  -2.142
  109    H6     C  36           H6         C  36  48.638  -9.288  -3.862
  110   1H5*    A  37          1H5*        A  37  45.250  -4.386  -5.346
  111   2H5*    A  37          2H5*        A  37  46.299  -2.955  -5.418
  112    H4*    A  37           H4*        A  37  45.022  -3.580  -3.227
  113    H3*    A  37           H3*        A  37  47.759  -2.414  -3.482
  114    H2*    A  37           H2*        A  37  48.152  -2.685  -1.122
  115   2HO*    A  37          2HO*        A  37  45.645  -2.284  -0.869
  116    H1*    A  37           H1*        A  37  47.225  -5.279  -0.941
  117    H8     A  37           H8         A  37  48.700  -4.884  -4.375
  118   1H6     A  37          H62         A  37  54.179  -6.237  -1.828
  119   2H6     A  37          H61         A  37  53.314  -6.000  -3.329
  120    H2     A  37           H2         A  37  51.223  -5.601   1.485
  121   1H5*    A  38          1H5*        A  38  45.843  -0.053  -0.036
  122   2H5*    A  38          2H5*        A  38  46.958   1.320   0.116
  123    H4*    A  38           H4*        A  38  46.759  -0.479   2.006
  124    H3*    A  38           H3*        A  38  49.261   0.896   1.081
  125    H2*    A  38           H2*        A  38  50.546  -0.453   2.613
  126   2HO*    A  38          2HO*        A  38  48.028  -1.467   3.521
  127    H1*    A  38           H1*        A  38  49.312  -2.858   1.959
  128    H8     A  38           H8         A  38  49.518  -0.734  -1.143
  129   1H6     A  38          H62         A  38  55.201  -3.057  -1.949
  130   2H6     A  38          H61         A  38  53.922  -2.110  -2.674
  131    H2     A  38           H2         A  38  53.761  -4.277   2.119
  132   1H5*    G  39          1H5*        G  39  50.459   0.789   4.593
  133   2H5*    G  39          2H5*        G  39  50.860   2.419   5.172
  134    H4*    G  39           H4*        G  39  52.821   1.093   5.307
  135    H3*    G  39           H3*        G  39  52.927   3.097   3.064
  136    H2*    G  39           H2*        G  39  55.165   2.325   2.587
  137   2HO*    G  39          2HO*        G  39  54.843   0.843   5.011
  138    H1*    G  39           H1*        G  39  54.525  -0.388   2.770
  139    H8     G  39           H8         G  39  51.537   1.075   1.202
  140    H1     G  39           H1         G  39  56.473   0.605  -2.867
  141   1H2     G  39          H22         G  39  58.333   0.232  -1.786
  142   2H2     G  39          H21         G  39  58.367   0.064  -0.038
  143   1H5*    G  40          1H5*        G  40  56.421   3.350   4.858
  144   2H5*    G  40          2H5*        G  40  56.803   4.980   5.446
  145    H4*    G  40           H4*        G  40  58.703   4.284   4.288
  146    H3*    G  40           H3*        G  40  57.091   6.162   2.574
  147    H2*    G  40           H2*        G  40  58.788   5.941   0.875
  148   2HO*    G  40          2HO*        G  40  60.229   4.437   2.834
  149    H1*    G  40           H1*        G  40  59.020   3.167   1.119
  150    H8     G  40           H8         G  40  55.409   3.791   1.536
  151    H1     G  40           H1         G  40  57.326   4.157  -4.571
  152   1H2     G  40          H22         G  40  59.512   4.324  -4.667
  153   2H2     G  40          H21         G  40  60.516   4.304  -3.227
  154   1H5*    A  41          1H5*        A  41  61.036   7.121   2.479
  155   2H5*    A  41          2H5*        A  41  61.367   8.842   2.749
  156    H4*    A  41           H4*        A  41  62.601   8.140   0.848
  157    H3*    A  41           H3*        A  41  60.267   9.905   0.146
  158    H2*    A  41           H2*        A  41  60.924   9.743  -2.171
  159   2HO*    A  41          2HO*        A  41  63.245   8.455  -1.105
  160    H1*    A  41           H1*        A  41  61.364   6.984  -2.115
  161    H8     A  41           H8         A  41  58.402   7.520   0.069
  162   1H6     A  41          H62         A  41  54.985   7.819  -5.066
  163   2H6     A  41          H61         A  41  54.951   7.825  -3.310
  164    H2     A  41           H2         A  41  59.297   7.918  -6.274
  165   1H5*    G  42          1H5*        G  42  63.315  11.172  -2.084
  166   2H5*    G  42          2H5*        G  42  63.660  12.894  -1.827
  167    H4*    G  42           H4*        G  42  63.587  12.591  -4.149
  168    H3*    G  42           H3*        G  42  61.032  13.864  -3.180
  169    H2*    G  42           H2*        G  42  60.324  13.972  -5.484
  170   2HO*    G  42          2HO*        G  42  63.014  13.169  -6.024
  171    H1*    G  42           H1*        G  42  61.171  11.370  -6.108
  172    H8     G  42           H8         G  42  59.771  11.089  -2.707
  173    H1     G  42           H1         G  42  55.256  11.586  -7.239
  174   1H2     G  42          H22         G  42  56.150  12.185  -9.144
  175   2H2     G  42          H21         G  42  57.874  12.487  -9.300
  176   1H5*    G  43          1H5*        G  43  62.193  15.864  -6.471
  177   2H5*    G  43          2H5*        G  43  62.290  17.612  -6.186
  178    H4*    G  43           H4*        G  43  61.057  17.294  -8.174
  179    H3*    G  43           H3*        G  43  59.274  18.058  -5.869
  180    H2*    G  43           H2*        G  43  57.411  18.025  -7.396
  181   2HO*    G  43          2HO*        G  43  59.455  17.822  -9.382
  182    H1*    G  43           H1*        G  43  58.227  15.667  -8.713
  183    H8     G  43           H8         G  43  58.871  15.052  -5.126
  184    H1     G  43           H1         G  43  52.663  14.582  -6.686
  185   1H2     G  43          H22         G  43  52.316  15.418  -8.694
  186   2H2     G  43          H21         G  43  53.626  16.080  -9.654
  187    H3T    G  43           H3T        G  43  59.250  19.968  -7.144
  Start of MODEL    5
    1   1H5*    C  27          1H5*        C  27  44.224  13.678  -7.519
    2   2H5*    C  27          2H5*        C  27  44.106  12.151  -8.413
    3    H4*    C  27           H4*        C  27  45.229  13.594  -9.849
    4    H3*    C  27           H3*        C  27  47.171  11.739  -8.501
    5    H2*    C  27           H2*        C  27  48.962  12.810  -9.706
    6   2HO*    C  27          2HO*        C  27  48.521  13.603 -11.625
    7    H1*    C  27           H1*        C  27  48.078  15.413  -9.243
    8   1H4     C  27          H42         C  27  52.155  14.114  -4.526
    9   2H4     C  27          H41         C  27  50.816  13.570  -3.539
   10    H5     C  27           H5         C  27  48.559  13.358  -4.382
   11    H6     C  27           H6         C  27  47.125  13.634  -6.338
   12    H5T    C  27           H5T        C  27  45.394  12.716  -6.075
   13   1H5*    C  28          1H5*        C  28  48.197  11.812 -12.380
   14   2H5*    C  28          2H5*        C  28  48.222  10.200 -13.122
   15    H4*    C  28           H4*        C  28  50.232  11.201 -13.753
   16    H3*    C  28           H3*        C  28  50.714   9.270 -11.492
   17    H2*    C  28           H2*        C  28  53.058   9.814 -11.632
   18   2HO*    C  28          2HO*        C  28  53.875  10.492 -13.478
   19    H1*    C  28           H1*        C  28  52.659  12.567 -11.832
   20   1H4     C  28          H42         C  28  53.460  11.403  -5.626
   21   2H4     C  28          H41         C  28  51.718  11.258  -5.457
   22    H5     C  28           H5         C  28  50.211  11.249  -7.325
   23    H6     C  28           H6         C  28  50.039  11.438  -9.752
   24   1H5*    U  29          1H5*        U  29  53.564   8.603 -14.326
   25   2H5*    U  29          2H5*        U  29  53.675   6.891 -14.778
   26    H4*    U  29           H4*        U  29  55.868   7.658 -14.357
   27    H3*    U  29           H3*        U  29  54.866   5.894 -12.130
   28    H2*    U  29           H2*        U  29  57.014   6.161 -11.072
   29   2HO*    U  29          2HO*        U  29  58.734   6.620 -12.226
   30    H1*    U  29           H1*        U  29  57.171   8.911 -11.514
   31    H3     U  29           H3         U  29  56.408   8.042  -7.060
   32    H5     U  29           H5         U  29  52.635   8.417  -8.875
   33    H6     U  29           H6         U  29  53.743   8.355 -11.006
   34   1H5*    C  30          1H5*        C  30  58.717   4.876 -13.013
   35   2H5*    C  30          2H5*        C  30  58.881   3.130 -13.283
   36    H4*    C  30           H4*        C  30  60.594   3.854 -11.780
   37    H3*    C  30           H3*        C  30  58.480   2.144 -10.499
   38    H2*    C  30           H2*        C  30  59.679   2.328  -8.414
   39   2HO*    C  30          2HO*        C  30  61.781   2.633  -8.446
   40    H1*    C  30           H1*        C  30  60.161   5.068  -8.626
   41   1H4     C  30          H42         C  30  54.788   4.381  -5.277
   42   2H4     C  30          H41         C  30  53.857   4.520  -6.752
   43    H5     C  30           H5         C  30  54.882   4.619  -8.937
   44    H6     C  30           H6         C  30  57.002   4.640 -10.144
   45   1H5*    C  31          1H5*        C  31  62.079   0.832  -9.166
   46   2H5*    C  31          2H5*        C  31  62.304  -0.896  -9.500
   47    H4*    C  31           H4*        C  31  62.918  -0.597  -7.263
   48    H3*    C  31           H3*        C  31  60.176  -1.817  -7.469
   49    H2*    C  31           H2*        C  31  60.067  -1.863  -5.064
   50   2HO*    C  31          2HO*        C  31  61.994  -1.196  -3.868
   51    H1*    C  31           H1*        C  31  61.170   0.697  -4.704
   52   1H4     C  31          H42         C  31  54.849   1.351  -4.507
   53   2H4     C  31          H41         C  31  54.809   1.585  -6.242
   54    H5     C  31           H5         C  31  56.790   1.369  -7.631
   55    H6     C  31           H6         C  31  59.168   0.831  -7.636
   56   1H5*    C  32          1H5*        C  32  61.753  -3.908  -4.282
   57   2H5*    C  32          2H5*        C  32  61.839  -5.583  -4.861
   58    H4*    C  32           H4*        C  32  60.809  -5.241  -2.596
   59    H3*    C  32           H3*        C  32  59.433  -6.792  -4.763
   60    H2*    C  32           H2*        C  32  57.545  -7.135  -3.309
   61   2HO*    C  32          2HO*        C  32  58.423  -5.705  -1.149
   62    H1*    C  32           H1*        C  32  57.424  -4.511  -2.369
   63   1H4     C  32          H42         C  32  53.526  -4.502  -7.379
   64   2H4     C  32          H41         C  32  54.883  -4.259  -8.455
   65    H5     C  32           H5         C  32  57.184  -4.276  -7.695
   66    H6     C  32           H6         C  32  58.642  -4.529  -5.756
   67   1H5*    U  33          1H5*        U  33  58.926  -9.466  -0.963
   68   2H5*    U  33          2H5*        U  33  59.881 -10.801  -1.639
   69    H4*    U  33           H4*        U  33  57.967 -11.766  -0.682
   70    H3*    U  33           H3*        U  33  57.872 -11.712  -3.676
   71    H2*    U  33           H2*        U  33  55.668 -12.684  -3.633
   72   2HO*    U  33          2HO*        U  33  55.444 -14.095  -2.036
   73    H1*    U  33           H1*        U  33  54.656 -11.027  -1.650
   74    H3     U  33           H3         U  33  52.821  -9.203  -5.339
   75    H5     U  33           H5         U  33  56.839  -7.988  -5.496
   76    H6     U  33           H6         U  33  57.267  -9.423  -3.611
   77   1H5*  CM0  34          1H5*      CM0  34  57.644 -16.433  -4.545
   78   2H5*  CM0  34          2H5*      CM0  34  59.065 -16.065  -5.540
   79    H4*  CM0  34           H4*      CM0  34  57.848 -15.663  -7.409
   80    H3*  CM0  34           H3*      CM0  34  55.634 -14.647  -5.655
   81    H1*  CM0  34           H1*      CM0  34  55.167 -17.746  -7.931
   82    H2*  CM0  34           H2*      CM0  34  54.036 -15.254  -7.349
   83    H6   CM0  34           H6       CM0  34  55.824 -17.846  -4.599
   84    H3   CM0  34           H3       CM0  34  51.147 -17.903  -5.553
   85   1H7C  CM0  34          H7        CM0  34  56.395 -19.135  -2.320
   86   2H7C  CM0  34          H8        CM0  34  55.639 -20.225  -3.525
   87    HA   CM0  34          2HO*      CM0  34  54.629 -15.598  -9.420
   88   1H5*    A  35          1H5*        A  35  53.404 -13.246  -8.883
   89   2H5*    A  35          2H5*        A  35  52.972 -11.682  -8.166
   90    H4*    A  35           H4*        A  35  51.215 -13.638  -8.447
   91    H3*    A  35           H3*        A  35  51.366 -11.639  -6.201
   92    H2*    A  35           H2*        A  35  49.527 -12.752  -5.146
   93   2HO*    A  35          2HO*        A  35  48.015 -13.495  -6.436
   94    H1*    A  35           H1*        A  35  50.342 -15.383  -5.880
   95    H8     A  35           H8         A  35  53.447 -14.270  -4.551
   96   1H6     A  35          H62         A  35  51.107 -14.441   1.179
   97   2H6     A  35          H61         A  35  52.573 -14.349   0.230
   98    H2     A  35           H2         A  35  47.694 -14.618  -1.725
   99   1H5*    C  36          1H5*        C  36  47.157 -11.695  -6.746
  100   2H5*    C  36          2H5*        C  36  47.014 -10.232  -7.741
  101    H4*    C  36           H4*        C  36  45.271  -9.840  -6.378
  102    H3*    C  36           H3*        C  36  47.617  -8.741  -4.857
  103    H2*    C  36           H2*        C  36  46.164  -8.276  -2.995
  104   2HO*    C  36          2HO*        C  36  43.801  -9.106  -3.610
  105    H1*    C  36           H1*        C  36  44.785 -10.712  -3.101
  106   1H4     C  36          H42         C  36  49.429 -11.808   1.076
  107   2H4     C  36          H41         C  36  50.561 -12.097  -0.225
  108    H5     C  36           H5         C  36  49.992 -11.781  -2.559
  109    H6     C  36           H6         C  36  48.225 -11.122  -4.109
  110   1H5*    A  37          1H5*        A  37  45.032  -5.424  -4.119
  111   2H5*    A  37          2H5*        A  37  46.131  -4.033  -4.214
  112    H4*    A  37           H4*        A  37  44.967  -4.662  -1.968
  113    H3*    A  37           H3*        A  37  47.773  -3.673  -2.325
  114    H2*    A  37           H2*        A  37  48.190  -3.978   0.025
  115   2HO*    A  37          2HO*        A  37  46.215  -4.878   1.233
  116    H1*    A  37           H1*        A  37  46.983  -6.483   0.220
  117    H8     A  37           H8         A  37  48.498  -6.872  -3.048
  118   1H6     A  37          H62         A  37  54.023  -7.522  -0.329
  119   2H6     A  37          H61         A  37  53.124  -7.715  -1.817
  120    H2     A  37           H2         A  37  51.153  -5.911   2.718
  121   1H5*    A  38          1H5*        A  38  46.082  -1.314   1.267
  122   2H5*    A  38          2H5*        A  38  46.805   0.272   0.938
  123    H4*    A  38           H4*        A  38  47.205  -0.890   3.219
  124    H3*    A  38           H3*        A  38  49.221   0.633   1.615
  125    H2*    A  38           H2*        A  38  50.960   0.024   3.165
  126   2HO*    A  38          2HO*        A  38  49.074   0.064   4.918
  127    H1*    A  38           H1*        A  38  50.271  -2.658   3.362
  128    H8     A  38           H8         A  38  49.482  -1.788  -0.159
  129   1H6     A  38          H62         A  38  55.493  -2.529  -1.442
  130   2H6     A  38          H61         A  38  53.894  -2.327  -2.123
  131    H2     A  38           H2         A  38  55.015  -2.497   3.018
  132   1H5*    G  39          1H5*        G  39  50.287   1.516   4.989
  133   2H5*    G  39          2H5*        G  39  50.703   3.204   5.344
  134    H4*    G  39           H4*        G  39  52.645   1.809   5.590
  135    H3*    G  39           H3*        G  39  52.756   3.709   3.255
  136    H2*    G  39           H2*        G  39  54.991   2.900   2.817
  137   2HO*    G  39          2HO*        G  39  54.649   1.626   5.346
  138    H1*    G  39           H1*        G  39  54.325   0.204   3.116
  139    H8     G  39           H8         G  39  51.344   1.609   1.487
  140    H1     G  39           H1         G  39  56.285   0.976  -2.555
  141   1H2     G  39          H22         G  39  58.141   0.628  -1.456
  142   2H2     G  39          H21         G  39  58.174   0.519   0.294
  143   1H5*    G  40          1H5*        G  40  56.266   4.020   5.078
  144   2H5*    G  40          2H5*        G  40  56.651   5.679   5.578
  145    H4*    G  40           H4*        G  40  58.560   4.889   4.484
  146    H3*    G  40           H3*        G  40  56.998   6.727   2.683
  147    H2*    G  40           H2*        G  40  58.703   6.410   1.006
  148   2HO*    G  40          2HO*        G  40  60.103   4.953   3.031
  149    H1*    G  40           H1*        G  40  58.880   3.644   1.352
  150    H8     G  40           H8         G  40  55.281   4.337   1.738
  151    H1     G  40           H1         G  40  57.213   4.470  -4.374
  152   1H2     G  40          H22         G  40  59.399   4.599  -4.469
  153   2H2     G  40          H21         G  40  60.403   4.610  -3.030
  154   1H5*    A  41          1H5*        A  41  60.960   7.608   2.583
  155   2H5*    A  41          2H5*        A  41  61.325   9.331   2.794
  156    H4*    A  41           H4*        A  41  62.561   8.537   0.928
  157    H3*    A  41           H3*        A  41  60.268  10.321   0.143
  158    H2*    A  41           H2*        A  41  60.940  10.060  -2.161
  159   2HO*    A  41          2HO*        A  41  63.223   8.773  -1.021
  160    H1*    A  41           H1*        A  41  61.316   7.298  -2.002
  161    H8     A  41           H8         A  41  58.354   7.972   0.145
  162   1H6     A  41          H62         A  41  54.968   8.163  -5.014
  163   2H6     A  41          H61         A  41  54.928   8.228  -3.259
  164    H2     A  41           H2         A  41  59.287   8.129  -6.201
  165   1H5*    G  42          1H5*        G  42  63.359  11.440  -2.120
  166   2H5*    G  42          2H5*        G  42  63.735  13.161  -1.917
  167    H4*    G  42           H4*        G  42  63.672  12.780  -4.228
  168    H3*    G  42           H3*        G  42  61.144  14.143  -3.318
  169    H2*    G  42           H2*        G  42  60.444  14.185  -5.628
  170   2HO*    G  42          2HO*        G  42  63.117  13.304  -6.129
  171    H1*    G  42           H1*        G  42  61.235  11.545  -6.159
  172    H8     G  42           H8         G  42  59.822  11.415  -2.754
  173    H1     G  42           H1         G  42  55.328  11.849  -7.313
  174   1H2     G  42          H22         G  42  56.237  12.361  -9.234
  175   2H2     G  42          H21         G  42  57.967  12.620  -9.396
  176   1H5*    G  43          1H5*        G  43  62.359  15.996  -6.684
  177   2H5*    G  43          2H5*        G  43  62.490  17.751  -6.458
  178    H4*    G  43           H4*        G  43  61.257  17.390  -8.438
  179    H3*    G  43           H3*        G  43  59.491  18.281  -6.168
  180    H2*    G  43           H2*        G  43  57.626  18.233  -7.693
  181   2HO*    G  43          2HO*        G  43  59.678  17.950  -9.658
  182    H1*    G  43           H1*        G  43  58.387  15.812  -8.924
  183    H8     G  43           H8         G  43  59.019  15.313  -5.315
  184    H1     G  43           H1         G  43  52.802  14.921  -6.863
  185   1H2     G  43          H22         G  43  52.475  15.691  -8.902
  186   2H2     G  43          H21         G  43  53.798  16.289  -9.883
  187    H3T    G  43           H3T        G  43  60.066  19.665  -8.502
  Start of MODEL    6
    1   1H5*    C  27          1H5*        C  27  44.330  14.278  -8.161
    2   2H5*    C  27          2H5*        C  27  44.150  12.720  -8.987
    3    H4*    C  27           H4*        C  27  45.352  14.054 -10.469
    4    H3*    C  27           H3*        C  27  47.183  12.151  -9.039
    5    H2*    C  27           H2*        C  27  49.037  13.085 -10.263
    6   2HO*    C  27          2HO*        C  27  48.653  13.830 -12.215
    7    H1*    C  27           H1*        C  27  48.285  15.745  -9.908
    8   1H4     C  27          H42         C  27  52.250  14.448  -5.097
    9   2H4     C  27          H41         C  27  50.878  14.000  -4.109
   10    H5     C  27           H5         C  27  48.626  13.850  -4.970
   11    H6     C  27           H6         C  27  47.224  14.119  -6.948
   12    H5T    C  27           H5T        C  27  45.829  11.898  -7.741
   13   1H5*    C  28          1H5*        C  28  48.244  12.017 -12.895
   14   2H5*    C  28          2H5*        C  28  48.205  10.380 -13.579
   15    H4*    C  28           H4*        C  28  50.274  11.256 -14.201
   16    H3*    C  28           H3*        C  28  50.628   9.402 -11.854
   17    H2*    C  28           H2*        C  28  53.000   9.825 -11.998
   18   2HO*    C  28          2HO*        C  28  53.818  10.292 -13.901
   19    H1*    C  28           H1*        C  28  52.728  12.584 -12.310
   20   1H4     C  28          H42         C  28  53.458  11.646  -6.063
   21   2H4     C  28          H41         C  28  51.712  11.575  -5.888
   22    H5     C  28           H5         C  28  50.209  11.559  -7.765
   23    H6     C  28           H6         C  28  50.049  11.658 -10.197
   24   1H5*    U  29          1H5*        U  29  53.434   8.483 -14.653
   25   2H5*    U  29          2H5*        U  29  53.510   6.749 -15.017
   26    H4*    U  29           H4*        U  29  55.719   7.516 -14.637
   27    H3*    U  29           H3*        U  29  54.704   5.831 -12.355
   28    H2*    U  29           H2*        U  29  56.850   6.114 -11.302
   29   2HO*    U  29          2HO*        U  29  58.579   6.541 -12.461
   30    H1*    U  29           H1*        U  29  57.031   8.847 -11.829
   31    H3     U  29           H3         U  29  56.240   8.098  -7.355
   32    H5     U  29           H5         U  29  52.485   8.531  -9.200
   33    H6     U  29           H6         U  29  53.601   8.364 -11.322
   34   1H5*    C  30          1H5*        C  30  58.559   4.775 -13.205
   35   2H5*    C  30          2H5*        C  30  58.718   3.020 -13.413
   36    H4*    C  30           H4*        C  30  60.435   3.802 -11.936
   37    H3*    C  30           H3*        C  30  58.330   2.114 -10.609
   38    H2*    C  30           H2*        C  30  59.524   2.367  -8.527
   39   2HO*    C  30          2HO*        C  30  61.623   2.724  -8.545
   40    H1*    C  30           H1*        C  30  59.983   5.105  -8.814
   41   1H4     C  30          H42         C  30  54.596   4.454  -5.472
   42   2H4     C  30          H41         C  30  53.673   4.546  -6.954
   43    H5     C  30           H5         C  30  54.710   4.607  -9.137
   44    H6     C  30           H6         C  30  56.836   4.616 -10.332
   45   1H5*    C  31          1H5*        C  31  61.877   0.962  -9.232
   46   2H5*    C  31          2H5*        C  31  62.225  -0.749  -9.547
   47    H4*    C  31           H4*        C  31  62.811  -0.430  -7.320
   48    H3*    C  31           H3*        C  31  60.117  -1.747  -7.510
   49    H2*    C  31           H2*        C  31  59.975  -1.742  -5.110
   50   2HO*    C  31          2HO*        C  31  62.466  -2.148  -5.142
   51    H1*    C  31           H1*        C  31  61.020   0.847  -4.773
   52   1H4     C  31          H42         C  31  54.689   1.436  -4.624
   53   2H4     C  31          H41         C  31  54.660   1.630  -6.362
   54    H5     C  31           H5         C  31  56.647   1.399  -7.736
   55    H6     C  31           H6         C  31  59.029   0.885  -7.720
   56   1H5*    C  32          1H5*        C  32  61.445  -3.320  -4.059
   57   2H5*    C  32          2H5*        C  32  61.934  -4.954  -4.549
   58    H4*    C  32           H4*        C  32  60.704  -4.931  -2.434
   59    H3*    C  32           H3*        C  32  59.592  -6.466  -4.752
   60    H2*    C  32           H2*        C  32  57.655  -7.062  -3.454
   61   2HO*    C  32          2HO*        C  32  57.931  -7.286  -1.360
   62    H1*    C  32           H1*        C  32  57.199  -4.528  -2.413
   63   1H4     C  32          H42         C  32  53.829  -4.471  -7.785
   64   2H4     C  32          H41         C  32  55.270  -4.125  -8.715
   65    H5     C  32           H5         C  32  57.485  -4.060  -7.734
   66    H6     C  32           H6         C  32  58.759  -4.319  -5.670
   67   1H5*    U  33          1H5*        U  33  59.592  -9.493  -0.873
   68   2H5*    U  33          2H5*        U  33  60.486 -10.710  -1.805
   69    H4*    U  33           H4*        U  33  58.667 -11.722  -0.576
   70    H3*    U  33           H3*        U  33  58.541 -11.820  -3.565
   71    H2*    U  33           H2*        U  33  56.400 -12.912  -3.463
   72   2HO*    U  33          2HO*        U  33  56.803 -13.004  -0.630
   73    H1*    U  33           H1*        U  33  55.306 -11.254  -1.517
   74    H3     U  33           H3         U  33  53.304  -9.803  -5.296
   75    H5     U  33           H5         U  33  57.161  -8.150  -5.463
   76    H6     U  33           H6         U  33  57.727  -9.470  -3.531
   77   1H5*  CM0  34          1H5*      CM0  34  57.501 -16.185  -2.685
   78   2H5*  CM0  34          2H5*      CM0  34  58.810 -16.887  -3.656
   79    H4*  CM0  34           H4*      CM0  34  57.447 -17.315  -5.455
   80    H3*  CM0  34           H3*      CM0  34  55.640 -15.110  -4.507
   81    H1*  CM0  34           H1*      CM0  34  54.549 -18.835  -4.676
   82    H2*  CM0  34           H2*      CM0  34  53.768 -16.251  -5.488
   83    H6   CM0  34           H6       CM0  34  55.455 -16.923  -1.914
   84    H3   CM0  34           H3       CM0  34  50.744 -17.461  -2.465
   85   1H7C  CM0  34          H7        CM0  34  55.863 -17.454   0.683
   86   2H7C  CM0  34          H8        CM0  34  54.349 -18.347   1.029
   87    HA   CM0  34          2HO*      CM0  34  54.023 -17.728  -7.065
   88   1H5*    A  35          1H5*        A  35  53.745 -12.128  -5.974
   89   2H5*    A  35          2H5*        A  35  53.817 -13.345  -4.685
   90    H4*    A  35           H4*        A  35  51.823 -13.842  -6.789
   91    H3*    A  35           H3*        A  35  51.689 -11.250  -6.178
   92    H2*    A  35           H2*        A  35  51.687 -11.469  -3.769
   93   2HO*    A  35          2HO*        A  35  49.000 -12.000  -3.800
   94    H1*    A  35           H1*        A  35  49.725 -13.797  -3.998
   95    H8     A  35           H8         A  35  53.204 -14.209  -2.618
   96   1H6     A  35          H62         A  35  50.621 -14.070   3.007
   97   2H6     A  35          H61         A  35  52.092 -14.375   2.112
   98    H2     A  35           H2         A  35  47.486 -12.937   0.008
   99   1H5*    C  36          1H5*        C  36  47.475 -11.778  -4.841
  100   2H5*    C  36          2H5*        C  36  46.657 -11.250  -6.324
  101    H4*    C  36           H4*        C  36  45.509  -9.740  -5.201
  102    H3*    C  36           H3*        C  36  48.185  -8.632  -4.400
  103    H2*    C  36           H2*        C  36  47.102  -7.331  -2.693
  104   2HO*    C  36          2HO*        C  36  44.905  -7.818  -4.329
  105    H1*    C  36           H1*        C  36  45.378  -9.378  -1.837
  106   1H4     C  36          H42         C  36  50.237  -9.933   2.182
  107   2H4     C  36          H41         C  36  51.264 -10.582   0.922
  108    H5     C  36           H5         C  36  50.551 -10.774  -1.386
  109    H6     C  36           H6         C  36  48.718 -10.381  -2.946
  110   1H5*    A  37          1H5*        A  37  45.398  -5.658  -4.021
  111   2H5*    A  37          2H5*        A  37  46.161  -4.069  -4.239
  112    H4*    A  37           H4*        A  37  45.248  -4.781  -1.914
  113    H3*    A  37           H3*        A  37  47.773  -3.270  -2.463
  114    H2*    A  37           H2*        A  37  48.365  -3.364  -0.131
  115   2HO*    A  37          2HO*        A  37  46.115  -3.055   0.567
  116    H1*    A  37           H1*        A  37  47.755  -6.047   0.232
  117    H8     A  37           H8         A  37  49.048  -5.919  -3.237
  118   1H6     A  37          H62         A  37  54.768  -5.942  -0.866
  119   2H6     A  37          H61         A  37  53.819  -6.106  -2.326
  120    H2     A  37           H2         A  37  51.877  -5.214   2.483
  121   1H5*    A  38          1H5*        A  38  45.776  -1.025   1.074
  122   2H5*    A  38          2H5*        A  38  46.481   0.589   0.853
  123    H4*    A  38           H4*        A  38  46.920  -0.680   3.045
  124    H3*    A  38           H3*        A  38  48.968   0.843   1.477
  125    H2*    A  38           H2*        A  38  50.690   0.128   3.003
  126   2HO*    A  38          2HO*        A  38  50.182  -0.352   5.017
  127    H1*    A  38           H1*        A  38  49.905  -2.536   3.112
  128    H8     A  38           H8         A  38  49.270  -1.182  -0.355
  129   1H6     A  38          H62         A  38  55.113  -2.766  -1.654
  130   2H6     A  38          H61         A  38  53.596  -2.206  -2.321
  131    H2     A  38           H2         A  38  54.494  -3.229   2.764
  132   1H5*    G  39          1H5*        G  39  50.096   1.632   4.846
  133   2H5*    G  39          2H5*        G  39  50.482   3.318   5.240
  134    H4*    G  39           H4*        G  39  52.456   1.990   5.465
  135    H3*    G  39           H3*        G  39  52.511   3.864   3.109
  136    H2*    G  39           H2*        G  39  54.757   3.093   2.657
  137   2HO*    G  39          2HO*        G  39  54.475   1.745   5.162
  138    H1*    G  39           H1*        G  39  54.151   0.387   3.004
  139    H8     G  39           H8         G  39  51.135   1.723   1.372
  140    H1     G  39           H1         G  39  56.060   1.082  -2.690
  141   1H2     G  39          H22         G  39  57.926   0.774  -1.594
  142   2H2     G  39          H21         G  39  57.967   0.692   0.158
  143   1H5*    G  40          1H5*        G  40  56.033   4.275   4.933
  144   2H5*    G  40          2H5*        G  40  56.397   5.955   5.372
  145    H4*    G  40           H4*        G  40  58.306   5.131   4.290
  146    H3*    G  40           H3*        G  40  56.736   6.926   2.451
  147    H2*    G  40           H2*        G  40  58.455   6.585   0.796
  148   2HO*    G  40          2HO*        G  40  59.841   5.158   2.851
  149    H1*    G  40           H1*        G  40  58.630   3.828   1.197
  150    H8     G  40           H8         G  40  55.030   4.505   1.541
  151    H1     G  40           H1         G  40  57.010   4.585  -4.557
  152   1H2     G  40          H22         G  40  59.197   4.734  -4.640
  153   2H2     G  40          H21         G  40  60.185   4.776  -3.192
  154   1H5*    A  41          1H5*        A  41  60.709   7.789   2.360
  155   2H5*    A  41          2H5*        A  41  61.075   9.519   2.500
  156    H4*    A  41           H4*        A  41  62.321   8.615   0.680
  157    H3*    A  41           H3*        A  41  60.083  10.436  -0.175
  158    H2*    A  41           H2*        A  41  60.776  10.097  -2.463
  159   2HO*    A  41          2HO*        A  41  62.987   8.696  -1.309
  160    H1*    A  41           H1*        A  41  61.070   7.332  -2.226
  161    H8     A  41           H8         A  41  58.110   8.118  -0.128
  162   1H6     A  41          H62         A  41  54.778   8.307  -5.331
  163   2H6     A  41          H61         A  41  54.711   8.388  -3.579
  164    H2     A  41           H2         A  41  59.102   8.142  -6.470
  165   1H5*    G  42          1H5*        G  42  63.275  11.399  -2.420
  166   2H5*    G  42          2H5*        G  42  63.684  13.119  -2.263
  167    H4*    G  42           H4*        G  42  63.675  12.640  -4.563
  168    H3*    G  42           H3*        G  42  61.192  14.146  -3.760
  169    H2*    G  42           H2*        G  42  60.527  14.124  -6.078
  170   2HO*    G  42          2HO*        G  42  63.112  13.000  -6.564
  171    H1*    G  42           H1*        G  42  61.208  11.436  -6.498
  172    H8     G  42           H8         G  42  59.759  11.492  -3.107
  173    H1     G  42           H1         G  42  55.331  11.925  -7.729
  174   1H2     G  42          H22         G  42  56.282  12.335  -9.664
  175   2H2     G  42          H21         G  42  58.022  12.532  -9.805
  176   1H5*    G  43          1H5*        G  43  62.552  15.803  -7.178
  177   2H5*    G  43          2H5*        G  43  62.751  17.560  -7.025
  178    H4*    G  43           H4*        G  43  61.539  17.152  -9.013
  179    H3*    G  43           H3*        G  43  59.781  18.235  -6.822
  180    H2*    G  43           H2*        G  43  57.940  18.196  -8.374
  181   2HO*    G  43          2HO*        G  43  59.935  17.574 -10.329
  182    H1*    G  43           H1*        G  43  58.605  15.684  -9.471
  183    H8     G  43           H8         G  43  59.164  15.335  -5.834
  184    H1     G  43           H1         G  43  52.956  15.136  -7.452
  185   1H2     G  43          H22         G  43  52.686  15.837  -9.523
  186   2H2     G  43          H21         G  43  54.045  16.334 -10.514
  187    H3T    G  43           H3T        G  43  60.701  19.911  -7.478
  Start of MODEL    7
    1   1H5*    C  27          1H5*        C  27  44.044  13.015  -7.179
    2   2H5*    C  27          2H5*        C  27  43.966  11.486  -8.076
    3    H4*    C  27           H4*        C  27  44.995  12.988  -9.529
    4    H3*    C  27           H3*        C  27  47.032  11.184  -8.256
    5    H2*    C  27           H2*        C  27  48.754  12.329  -9.492
    6   2HO*    C  27          2HO*        C  27  48.237  13.129 -11.391
    7    H1*    C  27           H1*        C  27  47.795  14.896  -8.981
    8   1H4     C  27          H42         C  27  52.028  13.722  -4.371
    9   2H4     C  27          H41         C  27  50.735  13.113  -3.361
   10    H5     C  27           H5         C  27  48.473  12.810  -4.156
   11    H6     C  27           H6         C  27  46.982  13.051  -6.073
   12    H5T    C  27           H5T        C  27  44.736  11.337  -5.858
   13   1H5*    C  28          1H5*        C  28  47.957  11.320 -12.143
   14   2H5*    C  28          2H5*        C  28  48.029   9.720 -12.907
   15    H4*    C  28           H4*        C  28  49.995  10.796 -13.550
   16    H3*    C  28           H3*        C  28  50.588   8.873 -11.308
   17    H2*    C  28           H2*        C  28  52.908   9.502 -11.509
   18   2HO*    C  28          2HO*        C  28  53.615  10.130 -13.412
   19    H1*    C  28           H1*        C  28  52.394  12.240 -11.677
   20   1H4     C  28          H42         C  28  53.432  11.083  -5.510
   21   2H4     C  28          H41         C  28  51.706  10.854  -5.283
   22    H5     C  28           H5         C  28  50.140  10.795  -7.107
   23    H6     C  28           H6         C  28  49.883  10.992  -9.524
   24   1H5*    U  29          1H5*        U  29  53.358   8.331 -14.240
   25   2H5*    U  29          2H5*        U  29  53.567   6.629 -14.692
   26    H4*    U  29           H4*        U  29  55.716   7.565 -14.345
   27    H3*    U  29           H3*        U  29  54.932   5.694 -12.118
   28    H2*    U  29           H2*        U  29  57.083   6.113 -11.122
   29   2HO*    U  29          2HO*        U  29  58.726   6.742 -12.315
   30    H1*    U  29           H1*        U  29  57.012   8.873 -11.520
   31    H3     U  29           H3         U  29  56.451   7.848  -7.064
   32    H5     U  29           H5         U  29  52.608   8.041  -8.764
   33    H6     U  29           H6         U  29  53.656   8.071 -10.926
   34   1H5*    C  30          1H5*        C  30  58.829   5.017 -13.145
   35   2H5*    C  30          2H5*        C  30  59.130   3.294 -13.444
   36    H4*    C  30           H4*        C  30  60.827   4.155 -11.987
   37    H3*    C  30           H3*        C  30  58.928   2.228 -10.678
   38    H2*    C  30           H2*        C  30  60.172   2.486  -8.628
   39   2HO*    C  30          2HO*        C  30  62.231   3.024  -8.700
   40    H1*    C  30           H1*        C  30  60.382   5.264  -8.792
   41   1H4     C  30          H42         C  30  55.198   3.988  -5.311
   42   2H4     C  30          H41         C  30  54.217   4.069  -6.754
   43    H5     C  30           H5         C  30  55.164   4.322  -8.965
   44    H6     C  30           H6         C  30  57.233   4.575 -10.228
   45   1H5*    C  31          1H5*        C  31  62.614   1.327  -9.480
   46   2H5*    C  31          2H5*        C  31  63.093  -0.331  -9.893
   47    H4*    C  31           H4*        C  31  63.732  -0.062  -7.672
   48    H3*    C  31           H3*        C  31  61.158  -1.606  -7.843
   49    H2*    C  31           H2*        C  31  61.099  -1.725  -5.443
   50   2HO*    C  31          2HO*        C  31  62.949  -1.807  -4.401
   51    H1*    C  31           H1*        C  31  61.931   0.927  -5.009
   52   1H4     C  31          H42         C  31  55.584   0.956  -4.617
   53   2H4     C  31          H41         C  31  55.474   1.227  -6.343
   54    H5     C  31           H5         C  31  57.419   1.234  -7.793
   55    H6     C  31           H6         C  31  59.837   0.930  -7.882
   56   1H5*    C  32          1H5*        C  32  62.253  -3.568  -4.595
   57   2H5*    C  32          2H5*        C  32  62.305  -5.258  -5.136
   58    H4*    C  32           H4*        C  32  60.696  -4.607  -3.245
   59    H3*    C  32           H3*        C  32  60.014  -6.376  -5.562
   60    H2*    C  32           H2*        C  32  57.735  -6.525  -4.788
   61   2HO*    C  32          2HO*        C  32  57.330  -5.183  -2.748
   62    H1*    C  32           H1*        C  32  57.422  -3.814  -4.293
   63   1H4     C  32          H42         C  32  55.672  -4.386 -10.367
   64   2H4     C  32          H41         C  32  57.345  -4.315 -10.877
   65    H5     C  32           H5         C  32  59.195  -4.274  -9.312
   66    H6     C  32           H6         C  32  59.811  -4.292  -6.952
   67   1H5*    U  33          1H5*        U  33  59.030  -9.261  -1.766
   68   2H5*    U  33          2H5*        U  33  59.463 -10.757  -2.617
   69    H4*    U  33           H4*        U  33  57.172 -10.660  -1.550
   70    H3*    U  33           H3*        U  33  57.617 -11.510  -4.392
   71    H2*    U  33           H2*        U  33  55.235 -11.776  -4.670
   72   2HO*    U  33          2HO*        U  33  54.885 -12.637  -2.520
   73    H1*    U  33           H1*        U  33  54.546  -9.365  -3.473
   74    H3     U  33           H3         U  33  54.057  -8.688  -7.944
   75    H5     U  33           H5         U  33  58.143  -8.087  -7.183
   76    H6     U  33           H6         U  33  57.772  -8.916  -4.954
   77   1H5*  CM0  34          1H5*      CM0  34  56.973 -16.680  -3.560
   78   2H5*  CM0  34          2H5*      CM0  34  58.053 -16.396  -4.939
   79    H4*  CM0  34           H4*      CM0  34  56.507 -17.084  -6.348
   80    H3*  CM0  34           H3*      CM0  34  54.844 -14.863  -5.214
   81    H1*  CM0  34           H1*      CM0  34  53.479 -18.488  -5.448
   82    H2*  CM0  34           H2*      CM0  34  52.865 -15.852  -6.153
   83    H6   CM0  34           H6       CM0  34  54.810 -16.892  -2.698
   84    H3   CM0  34           H3       CM0  34  50.045 -16.709  -2.892
   85   1H7C  CM0  34          H7        CM0  34  54.832 -18.024   0.280
   86   2H7C  CM0  34          H8        CM0  34  53.055 -18.222   0.393
   87    HA   CM0  34          2HO*      CM0  34  53.643 -16.499  -8.159
   88   1H5*    A  35          1H5*        A  35  52.917 -12.778  -8.346
   89   2H5*    A  35          2H5*        A  35  52.961 -11.384  -7.250
   90    H4*    A  35           H4*        A  35  50.949 -13.340  -7.517
   91    H3*    A  35           H3*        A  35  51.299 -10.987  -5.672
   92    H2*    A  35           H2*        A  35  49.490 -11.816  -4.340
   93   2HO*    A  35          2HO*        A  35  49.001 -13.454  -6.622
   94    H1*    A  35           H1*        A  35  50.187 -14.559  -4.603
   95    H8     A  35           H8         A  35  53.409 -13.368  -3.726
   96   1H6     A  35          H62         A  35  51.505 -12.267   2.062
   97   2H6     A  35          H61         A  35  52.898 -12.444   1.020
   98    H2     A  35           H2         A  35  47.878 -12.846  -0.511
   99   1H5*    C  36          1H5*        C  36  46.705 -10.889  -6.401
  100   2H5*    C  36          2H5*        C  36  46.774  -9.314  -7.216
  101    H4*    C  36           H4*        C  36  45.014  -9.203  -5.658
  102    H3*    C  36           H3*        C  36  47.434  -7.641  -4.840
  103    H2*    C  36           H2*        C  36  46.383  -7.056  -2.755
  104   2HO*    C  36          2HO*        C  36  44.234  -7.158  -2.498
  105    H1*    C  36           H1*        C  36  45.420  -9.597  -2.173
  106   1H4     C  36          H42         C  36  51.161  -9.646   0.517
  107   2H4     C  36          H41         C  36  51.917  -9.933  -1.034
  108    H5     C  36           H5         C  36  50.681  -9.962  -3.116
  109    H6     C  36           H6         C  36  48.475  -9.720  -4.128
  110   1H5*    A  37          1H5*        A  37  44.236  -4.727  -3.918
  111   2H5*    A  37          2H5*        A  37  45.084  -3.179  -4.096
  112    H4*    A  37           H4*        A  37  44.240  -3.761  -1.789
  113    H3*    A  37           H3*        A  37  47.040  -2.853  -2.337
  114    H2*    A  37           H2*        A  37  47.616  -3.162  -0.019
  115   2HO*    A  37          2HO*        A  37  44.922  -2.865   0.262
  116    H1*    A  37           H1*        A  37  46.420  -5.650   0.259
  117    H8     A  37           H8         A  37  47.914  -5.003  -3.203
  118   1H6     A  37          H62         A  37  53.029  -7.717  -1.007
  119   2H6     A  37          H61         A  37  52.250  -7.061  -2.429
  120    H2     A  37           H2         A  37  50.146  -7.221   2.393
  121   1H5*    A  38          1H5*        A  38  46.016  -0.643   1.176
  122   2H5*    A  38          2H5*        A  38  47.079   0.778   1.208
  123    H4*    A  38           H4*        A  38  47.389  -1.084   2.966
  124    H3*    A  38           H3*        A  38  49.604   0.313   1.501
  125    H2*    A  38           H2*        A  38  51.211  -1.100   2.608
  126   2HO*    A  38          2HO*        A  38  50.316  -2.681   4.183
  127    H1*    A  38           H1*        A  38  49.801  -3.476   2.234
  128    H8     A  38           H8         A  38  49.132  -1.612  -0.881
  129   1H6     A  38          H62         A  38  54.715  -3.376  -2.897
  130   2H6     A  38          H61         A  38  53.186  -2.656  -3.353
  131    H2     A  38           H2         A  38  54.461  -4.300   1.483
  132   1H5*    G  39          1H5*        G  39  51.323   0.287   4.820
  133   2H5*    G  39          2H5*        G  39  51.580   1.897   5.519
  134    H4*    G  39           H4*        G  39  53.671   0.847   5.553
  135    H3*    G  39           H3*        G  39  53.509   2.823   3.289
  136    H2*    G  39           H2*        G  39  55.794   2.266   2.737
  137   2HO*    G  39          2HO*        G  39  55.720   0.729   5.149
  138    H1*    G  39           H1*        G  39  55.429  -0.493   2.961
  139    H8     G  39           H8         G  39  52.248   0.660   1.504
  140    H1     G  39           H1         G  39  57.053   0.636  -2.749
  141   1H2     G  39          H22         G  39  58.978   0.434  -1.735
  142   2H2     G  39          H21         G  39  59.093   0.274   0.010
  143   1H5*    G  40          1H5*        G  40  57.031   3.438   5.012
  144   2H5*    G  40          2H5*        G  40  57.275   5.117   5.536
  145    H4*    G  40           H4*        G  40  59.202   4.525   4.345
  146    H3*    G  40           H3*        G  40  57.413   6.261   2.654
  147    H2*    G  40           H2*        G  40  59.091   6.154   0.926
  148   2HO*    G  40          2HO*        G  40  60.672   4.757   2.859
  149    H1*    G  40           H1*        G  40  59.520   3.404   1.180
  150    H8     G  40           H8         G  40  55.888   3.747   1.678
  151    H1     G  40           H1         G  40  57.626   4.285  -4.471
  152   1H2     G  40          H22         G  40  59.786   4.629  -4.618
  153   2H2     G  40          H21         G  40  60.821   4.689  -3.201
  154   1H5*    A  41          1H5*        A  41  61.292   7.472   2.473
  155   2H5*    A  41          2H5*        A  41  61.511   9.219   2.688
  156    H4*    A  41           H4*        A  41  62.760   8.515   0.784
  157    H3*    A  41           H3*        A  41  60.344  10.172   0.097
  158    H2*    A  41           H2*        A  41  60.977  10.005  -2.227
  159   2HO*    A  41          2HO*        A  41  63.353   8.797  -1.189
  160    H1*    A  41           H1*        A  41  61.518   7.267  -2.141
  161    H8     A  41           H8         A  41  58.579   7.689   0.090
  162   1H6     A  41          H62         A  41  55.053   7.837  -4.985
  163   2H6     A  41          H61         A  41  55.045   7.827  -3.229
  164    H2     A  41           H2         A  41  59.330   8.102  -6.270
  165   1H5*    G  42          1H5*        G  42  63.362  11.516  -2.201
  166   2H5*    G  42          2H5*        G  42  63.623  13.255  -1.971
  167    H4*    G  42           H4*        G  42  63.575  12.883  -4.292
  168    H3*    G  42           H3*        G  42  61.005  14.130  -3.335
  169    H2*    G  42           H2*        G  42  60.260  14.157  -5.629
  170   2HO*    G  42          2HO*        G  42  62.912  13.286  -6.254
  171    H1*    G  42           H1*        G  42  61.149  11.562  -6.203
  172    H8     G  42           H8         G  42  59.825  11.336  -2.767
  173    H1     G  42           H1         G  42  55.211  11.595  -7.217
  174   1H2     G  42          H22         G  42  56.054  12.176  -9.162
  175   2H2     G  42          H21         G  42  57.765  12.528  -9.347
  176   1H5*    G  43          1H5*        G  43  62.096  16.052  -6.710
  177   2H5*    G  43          2H5*        G  43  62.152  17.810  -6.479
  178    H4*    G  43           H4*        G  43  60.908  17.392  -8.446
  179    H3*    G  43           H3*        G  43  59.144  18.217  -6.149
  180    H2*    G  43           H2*        G  43  57.259  18.093  -7.642
  181   2HO*    G  43          2HO*        G  43  59.228  17.731  -9.688
  182    H1*    G  43           H1*        G  43  58.092  15.699  -8.880
  183    H8     G  43           H8         G  43  58.810  15.236  -5.284
  184    H1     G  43           H1         G  43  52.587  14.577  -6.708
  185   1H2     G  43          H22         G  43  52.186  15.343  -8.735
  186   2H2     G  43          H21         G  43  53.457  16.000  -9.743
  187    H3T    G  43           H3T        G  43  60.434  19.395  -8.303
  Start of MODEL    8
    1   1H5*    C  27          1H5*        C  27  43.802  13.365  -8.065
    2   2H5*    C  27          2H5*        C  27  43.729  11.833  -8.955
    3    H4*    C  27           H4*        C  27  44.755  13.324 -10.416
    4    H3*    C  27           H3*        C  27  46.801  11.545  -9.123
    5    H2*    C  27           H2*        C  27  48.518  12.689 -10.367
    6   2HO*    C  27          2HO*        C  27  47.998  13.466 -12.275
    7    H1*    C  27           H1*        C  27  47.540  15.253  -9.880
    8   1H4     C  27          H42         C  27  51.780  14.136  -5.263
    9   2H4     C  27          H41         C  27  50.490  13.530  -4.246
   10    H5     C  27           H5         C  27  48.228  13.213  -5.038
   11    H6     C  27           H6         C  27  46.738  13.430  -6.957
   12    H5T    C  27           H5T        C  27  45.041  12.457  -6.646
   13   1H5*    C  28          1H5*        C  28  47.728  11.660 -13.024
   14   2H5*    C  28          2H5*        C  28  47.807  10.051 -13.769
   15    H4*    C  28           H4*        C  28  49.761  11.136 -14.436
   16    H3*    C  28           H3*        C  28  50.375   9.232 -12.185
   17    H2*    C  28           H2*        C  28  52.690   9.876 -12.389
   18   2HO*    C  28          2HO*        C  28  53.394  10.494 -14.296
   19    H1*    C  28           H1*        C  28  52.163  12.611 -12.574
   20   1H4     C  28          H42         C  28  53.186  11.494  -6.396
   21   2H4     C  28          H41         C  28  51.458  11.263  -6.175
   22    H5     C  28           H5         C  28  49.901  11.185  -8.003
   23    H6     C  28           H6         C  28  49.653  11.362 -10.422
   24   1H5*    U  29          1H5*        U  29  53.160   8.688 -15.107
   25   2H5*    U  29          2H5*        U  29  53.362   6.982 -15.550
   26    H4*    U  29           H4*        U  29  55.516   7.906 -15.205
   27    H3*    U  29           H3*        U  29  54.711   6.062 -12.962
   28    H2*    U  29           H2*        U  29  56.860   6.474 -11.962
   29   2HO*    U  29          2HO*        U  29  58.513   7.067 -13.155
   30    H1*    U  29           H1*        U  29  56.815   9.232 -12.390
   31    H3     U  29           H3         U  29  56.238   8.271  -7.925
   32    H5     U  29           H5         U  29  52.400   8.443  -9.633
   33    H6     U  29           H6         U  29  53.450   8.451 -11.794
   34   1H5*    C  30          1H5*        C  30  58.611   5.337 -13.952
   35   2H5*    C  30          2H5*        C  30  58.889   3.608 -14.235
   36    H4*    C  30           H4*        C  30  60.585   4.454 -12.769
   37    H3*    C  30           H3*        C  30  58.643   2.573 -11.457
   38    H2*    C  30           H2*        C  30  59.869   2.833  -9.396
   39   2HO*    C  30          2HO*        C  30  61.937   3.334  -9.454
   40    H1*    C  30           H1*        C  30  60.129   5.604  -9.589
   41   1H4     C  30          H42         C  30  54.895   4.459  -6.144
   42   2H4     C  30          H41         C  30  53.926   4.540  -7.599
   43    H5     C  30           H5         C  30  54.898   4.748  -9.801
   44    H6     C  30           H6         C  30  56.983   4.947 -11.049
   45   1H5*    C  31          1H5*        C  31  62.357   1.563 -10.219
   46   2H5*    C  31          2H5*        C  31  62.732  -0.133 -10.581
   47    H4*    C  31           H4*        C  31  63.372   0.196  -8.355
   48    H3*    C  31           H3*        C  31  60.759  -1.281  -8.527
   49    H2*    C  31           H2*        C  31  60.680  -1.352  -6.125
   50   2HO*    C  31          2HO*        C  31  63.140  -1.667  -6.153
   51    H1*    C  31           H1*        C  31  61.568   1.289  -5.740
   52   1H4     C  31          H42         C  31  55.219   1.429  -5.416
   53   2H4     C  31          H41         C  31  55.129   1.682  -7.146
   54    H5     C  31           H5         C  31  57.092   1.638  -8.573
   55    H6     C  31           H6         C  31  59.503   1.291  -8.632
   56   1H5*    C  32          1H5*        C  32  62.060  -3.056  -5.343
   57   2H5*    C  32          2H5*        C  32  62.155  -4.791  -5.700
   58    H4*    C  32           H4*        C  32  60.693  -3.905  -3.727
   59    H3*    C  32           H3*        C  32  60.054  -6.164  -5.586
   60    H2*    C  32           H2*        C  32  57.870  -6.388  -4.599
   61   2HO*    C  32          2HO*        C  32  58.706  -4.398  -2.723
   62    H1*    C  32           H1*        C  32  57.273  -3.674  -4.563
   63   1H4     C  32          H42         C  32  55.100  -5.535 -10.224
   64   2H4     C  32          H41         C  32  56.710  -5.442 -10.900
   65    H5     C  32           H5         C  32  58.671  -4.953  -9.565
   66    H6     C  32           H6         C  32  59.481  -4.464  -7.316
   67   1H5*    U  33          1H5*        U  33  58.597  -7.576  -1.423
   68   2H5*    U  33          2H5*        U  33  59.770  -8.903  -1.311
   69    H4*    U  33           H4*        U  33  57.542  -9.582  -0.597
   70    H3*    U  33           H3*        U  33  58.783 -10.957  -2.946
   71    H2*    U  33           H2*        U  33  56.789 -12.263  -3.276
   72   2HO*    U  33          2HO*        U  33  55.947 -11.109  -0.797
   73    H1*    U  33           H1*        U  33  54.996 -10.164  -2.990
   74    H3     U  33           H3         U  33  55.240 -11.074  -7.451
   75    H5     U  33           H5         U  33  58.405  -8.425  -6.670
   76    H6     U  33           H6         U  33  57.956  -8.704  -4.322
   77   1H5*  CM0  34          1H5*      CM0  34  57.425 -14.896   0.142
   78   2H5*  CM0  34          2H5*      CM0  34  59.015 -15.540  -0.312
   79    H4*  CM0  34           H4*      CM0  34  58.118 -16.860  -2.029
   80    H3*  CM0  34           H3*      CM0  34  55.659 -15.159  -1.878
   81    H1*  CM0  34           H1*      CM0  34  55.562 -18.824  -0.627
   82    H2*  CM0  34           H2*      CM0  34  54.280 -17.068  -2.363
   83    H6   CM0  34           H6       CM0  34  56.059 -16.268   1.455
   84    H3   CM0  34           H3       CM0  34  51.406 -17.086   0.772
   85   1H7C  CM0  34          H7        CM0  34  55.744 -16.875   4.242
   86   2H7C  CM0  34          H8        CM0  34  54.094 -16.690   4.916
   87    HA   CM0  34          2HO*      CM0  34  55.368 -19.117  -2.824
   88   1H5*    A  35          1H5*        A  35  53.375 -13.340  -4.372
   89   2H5*    A  35          2H5*        A  35  54.048 -13.411  -2.732
   90    H4*    A  35           H4*        A  35  51.618 -14.972  -3.572
   91    H3*    A  35           H3*        A  35  51.712 -12.117  -2.654
   92    H2*    A  35           H2*        A  35  49.841 -12.512  -1.217
   93   2HO*    A  35          2HO*        A  35  48.469 -13.690  -2.481
   94    H1*    A  35           H1*        A  35  50.624 -15.099  -0.389
   95    H8     A  35           H8         A  35  53.780 -13.568   0.082
   96   1H6     A  35          H62         A  35  51.597 -10.367   4.912
   97   2H6     A  35          H61         A  35  53.039 -10.895   4.075
   98    H2     A  35           H2         A  35  48.102 -11.994   2.624
   99   1H5*    C  36          1H5*        C  36  47.286 -12.928  -3.753
  100   2H5*    C  36          2H5*        C  36  47.319 -11.858  -5.167
  101    H4*    C  36           H4*        C  36  45.279 -11.412  -4.157
  102    H3*    C  36           H3*        C  36  47.285  -9.288  -3.494
  103    H2*    C  36           H2*        C  36  45.683  -8.199  -2.065
  104   2HO*    C  36          2HO*        C  36  43.517  -8.827  -2.059
  105    H1*    C  36           H1*        C  36  44.795 -10.510  -0.796
  106   1H4     C  36          H42         C  36  49.586  -8.577   2.887
  107   2H4     C  36          H41         C  36  50.743  -9.339   1.817
  108    H5     C  36           H5         C  36  50.111 -10.373  -0.280
  109    H6     C  36           H6         C  36  48.248 -10.883  -1.771
  110   1H5*    A  37          1H5*        A  37  44.776  -6.281  -3.714
  111   2H5*    A  37          2H5*        A  37  45.885  -4.987  -4.209
  112    H4*    A  37           H4*        A  37  45.123  -5.400  -1.677
  113    H3*    A  37           H3*        A  37  47.651  -4.191  -2.739
  114    H2*    A  37           H2*        A  37  48.569  -4.136  -0.515
  115   2HO*    A  37          2HO*        A  37  46.153  -3.764   0.236
  116    H1*    A  37           H1*        A  37  47.772  -6.706   0.199
  117    H8     A  37           H8         A  37  48.598  -7.334  -3.279
  118   1H6     A  37          H62         A  37  54.609  -7.078  -1.810
  119   2H6     A  37          H61         A  37  53.450  -7.539  -3.037
  120    H2     A  37           H2         A  37  52.263  -5.425   1.635
  121   1H5*    A  38          1H5*        A  38  46.266  -1.597   0.746
  122   2H5*    A  38          2H5*        A  38  46.977  -0.009   0.392
  123    H4*    A  38           H4*        A  38  47.598  -1.231   2.580
  124    H3*    A  38           H3*        A  38  49.475   0.271   0.798
  125    H2*    A  38           H2*        A  38  51.350  -0.418   2.144
  126   2HO*    A  38          2HO*        A  38  51.060  -1.372   4.143
  127    H1*    A  38           H1*        A  38  50.614  -3.084   2.351
  128    H8     A  38           H8         A  38  49.473  -2.042  -1.039
  129   1H6     A  38          H62         A  38  55.265  -3.022  -2.999
  130   2H6     A  38          H61         A  38  53.616  -2.712  -3.493
  131    H2     A  38           H2         A  38  55.272  -3.158   1.483
  132   1H5*    G  39          1H5*        G  39  50.826   1.069   4.094
  133   2H5*    G  39          2H5*        G  39  51.117   2.758   4.558
  134    H4*    G  39           H4*        G  39  53.169   1.557   4.716
  135    H3*    G  39           H3*        G  39  53.086   3.489   2.409
  136    H2*    G  39           H2*        G  39  55.369   2.864   1.914
  137   2HO*    G  39          2HO*        G  39  55.205   1.384   4.355
  138    H1*    G  39           H1*        G  39  54.926   0.123   2.183
  139    H8     G  39           H8         G  39  51.806   1.309   0.640
  140    H1     G  39           H1         G  39  56.689   1.126  -3.514
  141   1H2     G  39          H22         G  39  58.591   0.914  -2.460
  142   2H2     G  39          H21         G  39  58.670   0.780  -0.713
  143   1H5*    G  40          1H5*        G  40  56.594   4.063   4.180
  144   2H5*    G  40          2H5*        G  40  56.855   5.743   4.688
  145    H4*    G  40           H4*        G  40  58.798   5.107   3.550
  146    H3*    G  40           H3*        G  40  57.071   6.844   1.798
  147    H2*    G  40           H2*        G  40  58.767   6.677   0.093
  148   2HO*    G  40          2HO*        G  40  60.303   5.292   2.071
  149    H1*    G  40           H1*        G  40  59.150   3.928   0.396
  150    H8     G  40           H8         G  40  55.519   4.339   0.855
  151    H1     G  40           H1         G  40  57.320   4.728  -5.285
  152   1H2     G  40          H22         G  40  59.488   5.031  -5.419
  153   2H2     G  40          H21         G  40  60.512   5.098  -3.994
  154   1H5*    A  41          1H5*        A  41  60.966   8.000   1.650
  155   2H5*    A  41          2H5*        A  41  61.210   9.744   1.861
  156    H4*    A  41           H4*        A  41  62.471   9.027  -0.025
  157    H3*    A  41           H3*        A  41  60.071  10.686  -0.761
  158    H2*    A  41           H2*        A  41  60.724  10.485  -3.076
  159   2HO*    A  41          2HO*        A  41  63.090   9.305  -1.987
  160    H1*    A  41           H1*        A  41  61.255   7.747  -2.951
  161    H8     A  41           H8         A  41  58.296   8.217  -0.753
  162   1H6     A  41          H62         A  41  54.822   8.281  -5.860
  163   2H6     A  41          H61         A  41  54.799   8.311  -4.105
  164    H2     A  41           H2         A  41  59.113   8.522  -7.111
  165   1H5*    G  42          1H5*        G  42  63.093  11.976  -3.061
  166   2H5*    G  42          2H5*        G  42  63.370  13.716  -2.851
  167    H4*    G  42           H4*        G  42  63.319  13.329  -5.166
  168    H3*    G  42           H3*        G  42  60.746  14.585  -4.231
  169    H2*    G  42           H2*        G  42  60.014  14.593  -6.530
  170   2HO*    G  42          2HO*        G  42  62.685  13.752  -7.107
  171    H1*    G  42           H1*        G  42  60.906  11.990  -7.074
  172    H8     G  42           H8         G  42  59.560  11.800  -3.644
  173    H1     G  42           H1         G  42  54.971  12.016  -8.121
  174   1H2     G  42          H22         G  42  55.824  12.574 -10.065
  175   2H2     G  42          H21         G  42  57.537  12.923 -10.248
  176   1H5*    G  43          1H5*        G  43  61.838  16.481  -7.633
  177   2H5*    G  43          2H5*        G  43  61.888  18.239  -7.405
  178    H4*    G  43           H4*        G  43  60.645  17.814  -9.369
  179    H3*    G  43           H3*        G  43  58.880  18.640  -7.073
  180    H2*    G  43           H2*        G  43  56.994  18.506  -8.567
  181   2HO*    G  43          2HO*        G  43  59.003  18.233 -10.584
  182    H1*    G  43           H1*        G  43  57.833  16.112  -9.796
  183    H8     G  43           H8         G  43  58.556  15.666  -6.198
  184    H1     G  43           H1         G  43  52.335  14.975  -7.617
  185   1H2     G  43          H22         G  43  51.930  15.729  -9.649
  186   2H2     G  43          H21         G  43  53.203  16.385 -10.660
  187    H3T    G  43           H3T        G  43  60.482  19.981  -8.228
  Start of MODEL    9
    1   1H5*    C  27          1H5*        C  27  44.189  14.076  -7.906
    2   2H5*    C  27          2H5*        C  27  44.020  12.514  -8.728
    3    H4*    C  27           H4*        C  27  45.165  13.871 -10.233
    4    H3*    C  27           H3*        C  27  47.059  11.998  -8.846
    5    H2*    C  27           H2*        C  27  48.871  12.962 -10.107
    6   2HO*    C  27          2HO*        C  27  48.432  13.699 -12.050
    7    H1*    C  27           H1*        C  27  48.083  15.610  -9.732
    8   1H4     C  27          H42         C  27  52.168  14.362  -5.012
    9   2H4     C  27          H41         C  27  50.824  13.893  -3.992
   10    H5     C  27           H5         C  27  48.553  13.716  -4.805
   11    H6     C  27           H6         C  27  47.108  13.969  -6.754
   12    H5T    C  27           H5T        C  27  45.411  11.619  -7.376
   13   1H5*    C  28          1H5*        C  28  48.036  11.890 -12.730
   14   2H5*    C  28          2H5*        C  28  48.000  10.253 -13.415
   15    H4*    C  28           H4*        C  28  50.039  11.159 -14.093
   16    H3*    C  28           H3*        C  28  50.483   9.306 -11.761
   17    H2*    C  28           H2*        C  28  52.842   9.767 -11.958
   18   2HO*    C  28          2HO*        C  28  53.608  10.250 -13.879
   19    H1*    C  28           H1*        C  28  52.524  12.521 -12.254
   20   1H4     C  28          H42         C  28  53.385  11.580  -6.024
   21   2H4     C  28          H41         C  28  51.643  11.488  -5.817
   22    H5     C  28           H5         C  28  50.105  11.453  -7.664
   23    H6     C  28           H6         C  28  49.901  11.551 -10.092
   24   1H5*    U  29          1H5*        U  29  53.240   8.440 -14.627
   25   2H5*    U  29          2H5*        U  29  53.333   6.708 -14.995
   26    H4*    U  29           H4*        U  29  55.539   7.508 -14.662
   27    H3*    U  29           H3*        U  29  54.599   5.800 -12.365
   28    H2*    U  29           H2*        U  29  56.760   6.116 -11.354
   29   2HO*    U  29          2HO*        U  29  58.459   6.563 -12.548
   30    H1*    U  29           H1*        U  29  56.891   8.853 -11.880
   31    H3     U  29           H3         U  29  56.210   8.089  -7.392
   32    H5     U  29           H5         U  29  52.409   8.461  -9.153
   33    H6     U  29           H6         U  29  53.480   8.314 -11.299
   34   1H5*    C  30          1H5*        C  30  58.461   4.805 -13.280
   35   2H5*    C  30          2H5*        C  30  58.635   3.053 -13.494
   36    H4*    C  30           H4*        C  30  60.364   3.849 -12.038
   37    H3*    C  30           H3*        C  30  58.294   2.138 -10.686
   38    H2*    C  30           H2*        C  30  59.512   2.396  -8.620
   39   2HO*    C  30          2HO*        C  30  61.606   2.775  -8.665
   40    H1*    C  30           H1*        C  30  59.940   5.139  -8.905
   41   1H4     C  30          H42         C  30  54.596   4.424  -5.506
   42   2H4     C  30          H41         C  30  53.657   4.515  -6.978
   43    H5     C  30           H5         C  30  54.670   4.592  -9.169
   44    H6     C  30           H6         C  30  56.782   4.619 -10.388
   45   1H5*    C  31          1H5*        C  31  61.896   0.986  -9.357
   46   2H5*    C  31          2H5*        C  31  62.214  -0.731  -9.670
   47    H4*    C  31           H4*        C  31  62.837  -0.396  -7.450
   48    H3*    C  31           H3*        C  31  60.135  -1.706  -7.595
   49    H2*    C  31           H2*        C  31  60.051  -1.707  -5.189
   50   2HO*    C  31          2HO*        C  31  62.547  -0.502  -4.872
   51    H1*    C  31           H1*        C  31  61.067   0.891  -4.884
   52   1H4     C  31          H42         C  31  54.734   1.404  -4.683
   53   2H4     C  31          H41         C  31  54.686   1.602  -6.422
   54    H5     C  31           H5         C  31  56.665   1.391  -7.812
   55    H6     C  31           H6         C  31  59.054   0.905  -7.814
   56   1H5*    C  32          1H5*        C  32  62.309  -3.644  -4.508
   57   2H5*    C  32          2H5*        C  32  62.387  -5.348  -4.998
   58    H4*    C  32           H4*        C  32  61.807  -5.019  -2.623
   59    H3*    C  32           H3*        C  32  59.936  -6.520  -4.423
   60    H2*    C  32           H2*        C  32  58.403  -6.801  -2.589
   61   2HO*    C  32          2HO*        C  32  59.014  -6.266  -0.475
   62    H1*    C  32           H1*        C  32  58.584  -4.177  -1.655
   63   1H4     C  32          H42         C  32  53.686  -3.853  -5.658
   64   2H4     C  32          H41         C  32  54.760  -3.910  -7.038
   65    H5     C  32           H5         C  32  57.152  -4.221  -6.831
   66    H6     C  32           H6         C  32  58.995  -4.533  -5.262
   67   1H5*    U  33          1H5*        U  33  59.592  -9.019  -0.933
   68   2H5*    U  33          2H5*        U  33  60.625 -10.350  -1.490
   69    H4*    U  33           H4*        U  33  58.792 -11.410  -0.555
   70    H3*    U  33           H3*        U  33  58.561 -11.347  -3.542
   71    H2*    U  33           H2*        U  33  56.398 -12.396  -3.409
   72   2HO*    U  33          2HO*        U  33  55.836 -12.690  -0.901
   73    H1*    U  33           H1*        U  33  55.429 -10.824  -1.326
   74    H3     U  33           H3         U  33  53.281  -9.216  -4.972
   75    H5     U  33           H5         U  33  57.106  -7.494  -5.150
   76    H6     U  33           H6         U  33  57.750  -8.919  -3.322
   77   1H5*  CM0  34          1H5*      CM0  34  57.824 -15.886  -3.765
   78   2H5*  CM0  34          2H5*      CM0  34  59.265 -16.102  -4.778
   79    H4*  CM0  34           H4*      CM0  34  58.078 -15.831  -6.758
   80    H3*  CM0  34           H3*      CM0  34  55.957 -14.442  -5.165
   81    H1*  CM0  34           H1*      CM0  34  55.262 -17.921  -6.717
   82    H2*  CM0  34           H2*      CM0  34  54.259 -15.325  -6.624
   83    H6   CM0  34           H6       CM0  34  56.223 -17.562  -3.542
   84    H3   CM0  34           H3       CM0  34  51.486 -17.188  -3.991
   85   1H7C  CM0  34          H7        CM0  34  56.138 -19.602  -0.679
   86   2H7C  CM0  34          H8        CM0  34  54.870 -20.093  -1.846
   87    HA   CM0  34          2HO*      CM0  34  55.082 -16.696  -8.449
   88   1H5*    A  35          1H5*        A  35  53.487 -11.441  -5.668
   89   2H5*    A  35          2H5*        A  35  53.995 -12.865  -4.742
   90    H4*    A  35           H4*        A  35  52.035 -13.478  -6.807
   91    H3*    A  35           H3*        A  35  51.263 -11.123  -5.868
   92    H2*    A  35           H2*        A  35  51.526 -11.587  -3.506
   93   2HO*    A  35          2HO*        A  35  49.123 -12.739  -3.261
   94    H1*    A  35           H1*        A  35  50.193 -14.305  -3.880
   95    H8     A  35           H8         A  35  53.764 -14.304  -2.924
   96   1H6     A  35          H62         A  35  51.960 -14.707   2.984
   97   2H6     A  35          H61         A  35  53.317 -14.820   1.889
   98    H2     A  35           H2         A  35  48.361 -13.734   0.493
   99   1H5*    C  36          1H5*        C  36  47.492 -12.458  -4.172
  100   2H5*    C  36          2H5*        C  36  46.473 -12.181  -5.598
  101    H4*    C  36           H4*        C  36  45.180 -10.752  -4.515
  102    H3*    C  36           H3*        C  36  47.705  -9.333  -3.737
  103    H2*    C  36           H2*        C  36  46.535  -8.231  -1.946
  104   2HO*    C  36          2HO*        C  36  44.112  -9.492  -2.699
  105    H1*    C  36           H1*        C  36  45.168 -10.495  -1.054
  106   1H4     C  36          H42         C  36  50.414 -10.605   2.494
  107   2H4     C  36          H41         C  36  51.367 -11.163   1.137
  108    H5     C  36           H5         C  36  50.459 -11.407  -1.095
  109    H6     C  36           H6         C  36  48.460 -11.168  -2.473
  110   1H5*    A  37          1H5*        A  37  44.958  -6.319  -3.070
  111   2H5*    A  37          2H5*        A  37  45.715  -4.846  -3.707
  112    H4*    A  37           H4*        A  37  45.195  -5.042  -1.181
  113    H3*    A  37           H3*        A  37  47.649  -3.855  -2.411
  114    H2*    A  37           H2*        A  37  48.664  -3.592  -0.247
  115   2HO*    A  37          2HO*        A  37  46.587  -2.986   0.756
  116    H1*    A  37           H1*        A  37  48.014  -6.108   0.721
  117    H8     A  37           H8         A  37  48.591  -6.777  -2.862
  118   1H6     A  37          H62         A  37  54.670  -6.722  -1.690
  119   2H6     A  37          H61         A  37  53.439  -7.121  -2.869
  120    H2     A  37           H2         A  37  52.545  -5.091   1.905
  121   1H5*    A  38          1H5*        A  38  45.952  -1.157   0.873
  122   2H5*    A  38          2H5*        A  38  46.672   0.449   0.652
  123    H4*    A  38           H4*        A  38  47.062  -0.841   2.859
  124    H3*    A  38           H3*        A  38  49.098   0.752   1.352
  125    H2*    A  38           H2*        A  38  50.823   0.043   2.877
  126   2HO*    A  38          2HO*        A  38  50.102  -1.406   4.666
  127    H1*    A  38           H1*        A  38  50.125  -2.638   2.898
  128    H8     A  38           H8         A  38  49.371  -1.289  -0.531
  129   1H6     A  38          H62         A  38  55.288  -2.458  -1.934
  130   2H6     A  38          H61         A  38  53.725  -2.001  -2.574
  131    H2     A  38           H2         A  38  54.775  -2.988   2.489
  132   1H5*    G  39          1H5*        G  39  50.166   1.592   4.790
  133   2H5*    G  39          2H5*        G  39  50.535   3.292   5.142
  134    H4*    G  39           H4*        G  39  52.519   1.966   5.391
  135    H3*    G  39           H3*        G  39  52.568   3.831   3.027
  136    H2*    G  39           H2*        G  39  54.825   3.078   2.594
  137   2HO*    G  39          2HO*        G  39  54.523   1.836   5.144
  138    H1*    G  39           H1*        G  39  54.234   0.370   2.940
  139    H8     G  39           H8         G  39  51.214   1.680   1.292
  140    H1     G  39           H1         G  39  56.160   1.076  -2.746
  141   1H2     G  39          H22         G  39  58.026   0.790  -1.645
  142   2H2     G  39          H21         G  39  58.062   0.710   0.109
  143   1H5*    G  40          1H5*        G  40  56.093   4.271   4.863
  144   2H5*    G  40          2H5*        G  40  56.430   5.957   5.299
  145    H4*    G  40           H4*        G  40  58.359   5.153   4.234
  146    H3*    G  40           H3*        G  40  56.779   6.935   2.391
  147    H2*    G  40           H2*        G  40  58.496   6.609   0.731
  148   2HO*    G  40          2HO*        G  40  59.901   5.195   2.782
  149    H1*    G  40           H1*        G  40  58.699   3.854   1.125
  150    H8     G  40           H8         G  40  55.094   4.500   1.497
  151    H1     G  40           H1         G  40  57.019   4.572  -4.617
  152   1H2     G  40          H22         G  40  59.204   4.746  -4.720
  153   2H2     G  40          H21         G  40  60.206   4.803  -3.279
  154   1H5*    A  41          1H5*        A  41  60.747   7.836   2.286
  155   2H5*    A  41          2H5*        A  41  61.095   9.568   2.433
  156    H4*    A  41           H4*        A  41  62.342   8.687   0.603
  157    H3*    A  41           H3*        A  41  60.081  10.483  -0.240
  158    H2*    A  41           H2*        A  41  60.759  10.151  -2.532
  159   2HO*    A  41          2HO*        A  41  62.981   8.726  -1.432
  160    H1*    A  41           H1*        A  41  61.093   7.390  -2.299
  161    H8     A  41           H8         A  41  58.138   8.142  -0.182
  162   1H6     A  41          H62         A  41  54.764   8.263  -5.357
  163   2H6     A  41          H61         A  41  54.714   8.351  -3.605
  164    H2     A  41           H2         A  41  59.084   8.166  -6.530
  165   1H5*    G  42          1H5*        G  42  63.239  11.458  -2.533
  166   2H5*    G  42          2H5*        G  42  63.635  13.182  -2.378
  167    H4*    G  42           H4*        G  42  63.601  12.708  -4.679
  168    H3*    G  42           H3*        G  42  61.114  14.189  -3.846
  169    H2*    G  42           H2*        G  42  60.422  14.162  -6.156
  170   2HO*    G  42          2HO*        G  42  63.020  13.076  -6.663
  171    H1*    G  42           H1*        G  42  61.123  11.481  -6.586
  172    H8     G  42           H8         G  42  59.719  11.527  -3.174
  173    H1     G  42           H1         G  42  55.223  11.902  -7.734
  174   1H2     G  42          H22         G  42  56.141  12.316  -9.683
  175   2H2     G  42          H21         G  42  57.876  12.534  -9.849
  176   1H5*    G  43          1H5*        G  43  62.397  15.854  -7.308
  177   2H5*    G  43          2H5*        G  43  62.576  17.611  -7.143
  178    H4*    G  43           H4*        G  43  61.334  17.205  -9.113
  179    H3*    G  43           H3*        G  43  59.602  18.247  -6.881
  180    H2*    G  43           H2*        G  43  57.735  18.201  -8.405
  181   2HO*    G  43          2HO*        G  43  59.742  17.677 -10.376
  182    H1*    G  43           H1*        G  43  58.404  15.701  -9.522
  183    H8     G  43           H8         G  43  59.047  15.354  -5.897
  184    H1     G  43           H1         G  43  52.811  15.066  -7.387
  185   1H2     G  43          H22         G  43  52.489  15.763  -9.454
  186   2H2     G  43          H21         G  43  53.821  16.282 -10.471
  187    H3T    G  43           H3T        G  43  59.984  20.082  -7.788
  Start of MODEL   10
    1   1H5*    C  27          1H5*        C  27  44.235  14.289  -8.758
    2   2H5*    C  27          2H5*        C  27  44.058  12.723  -9.571
    3    H4*    C  27           H4*        C  27  45.270  14.045 -11.056
    4    H3*    C  27           H3*        C  27  47.088  12.148  -9.602
    5    H2*    C  27           H2*        C  27  48.952  13.066 -10.821
    6   2HO*    C  27          2HO*        C  27  48.582  13.795 -12.781
    7    H1*    C  27           H1*        C  27  48.206  15.731 -10.491
    8   1H4     C  27          H42         C  27  52.137  14.453  -5.647
    9   2H4     C  27          H41         C  27  50.756  14.019  -4.662
   10    H5     C  27           H5         C  27  48.508  13.874  -5.536
   11    H6     C  27           H6         C  27  47.120  14.135  -7.526
   12    H5T    C  27           H5T        C  27  44.954  11.914  -7.866
   13   1H5*    C  28          1H5*        C  28  48.171  11.980 -13.449
   14   2H5*    C  28          2H5*        C  28  48.128  10.337 -14.122
   15    H4*    C  28           H4*        C  28  50.206  11.201 -14.738
   16    H3*    C  28           H3*        C  28  50.537   9.362 -12.376
   17    H2*    C  28           H2*        C  28  52.911   9.775 -12.505
   18   2HO*    C  28          2HO*        C  28  53.747  10.227 -14.404
   19    H1*    C  28           H1*        C  28  52.653  12.534 -12.842
   20   1H4     C  28          H42         C  28  53.339  11.640  -6.583
   21   2H4     C  28          H41         C  28  51.591  11.579  -6.420
   22    H5     C  28           H5         C  28  50.100  11.553  -8.306
   23    H6     C  28           H6         C  28  49.958  11.634 -10.739
   24   1H5*    U  29          1H5*        U  29  53.369   8.414 -15.143
   25   2H5*    U  29          2H5*        U  29  53.429   6.676 -15.496
   26    H4*    U  29           H4*        U  29  55.643   7.415 -15.101
   27    H3*    U  29           H3*        U  29  54.586   5.771 -12.807
   28    H2*    U  29           H2*        U  29  56.730   6.036 -11.743
   29   2HO*    U  29          2HO*        U  29  58.472   6.427 -12.896
   30    H1*    U  29           H1*        U  29  56.949   8.762 -12.298
   31    H3     U  29           H3         U  29  56.114   8.071  -7.823
   32    H5     U  29           H5         U  29  52.376   8.512  -9.701
   33    H6     U  29           H6         U  29  53.508   8.319 -11.813
   34   1H5*    C  30          1H5*        C  30  58.429   4.652 -13.621
   35   2H5*    C  30          2H5*        C  30  58.566   2.894 -13.811
   36    H4*    C  30           H4*        C  30  60.284   3.664 -12.331
   37    H3*    C  30           H3*        C  30  58.148   2.022 -11.001
   38    H2*    C  30           H2*        C  30  59.332   2.275  -8.915
   39   2HO*    C  30          2HO*        C  30  61.436   2.599  -8.925
   40    H1*    C  30           H1*        C  30  59.834   5.004  -9.226
   41   1H4     C  30          H42         C  30  54.418   4.463  -5.911
   42   2H4     C  30          H41         C  30  53.505   4.558  -7.399
   43    H5     C  30           H5         C  30  54.557   4.583  -9.575
   44    H6     C  30           H6         C  30  56.688   4.549 -10.759
   45   1H5*    C  31          1H5*        C  31  61.669   0.817  -9.590
   46   2H5*    C  31          2H5*        C  31  61.982  -0.905  -9.886
   47    H4*    C  31           H4*        C  31  62.558  -0.577  -7.657
   48    H3*    C  31           H3*        C  31  59.829  -1.826  -7.845
   49    H2*    C  31           H2*        C  31  59.692  -1.801  -5.444
   50   2HO*    C  31          2HO*        C  31  62.347  -1.974  -5.659
   51    H1*    C  31           H1*        C  31  60.779   0.771  -5.136
   52   1H4     C  31          H42         C  31  54.457   1.454  -5.037
   53   2H4     C  31          H41         C  31  54.442   1.631  -6.778
   54    H5     C  31           H5         C  31  56.435   1.358  -8.135
   55    H6     C  31           H6         C  31  58.810   0.810  -8.097
   56   1H5*    C  32          1H5*        C  32  61.834  -3.614  -4.848
   57   2H5*    C  32          2H5*        C  32  61.782  -5.386  -4.943
   58    H4*    C  32           H4*        C  32  61.110  -4.307  -2.747
   59    H3*    C  32           H3*        C  32  59.518  -6.436  -4.123
   60    H2*    C  32           H2*        C  32  57.798  -6.267  -2.449
   61   2HO*    C  32          2HO*        C  32  59.556  -5.849  -0.774
   62    H1*    C  32           H1*        C  32  57.694  -3.491  -2.398
   63   1H4     C  32          H42         C  32  53.450  -5.104  -6.841
   64   2H4     C  32          H41         C  32  54.709  -5.101  -8.054
   65    H5     C  32           H5         C  32  57.052  -4.797  -7.515
   66    H6     C  32           H6         C  32  58.653  -4.434  -5.710
   67   1H5*    U  33          1H5*        U  33  59.370  -8.272   0.215
   68   2H5*    U  33          2H5*        U  33  60.220  -9.735  -0.320
   69    H4*    U  33           H4*        U  33  58.208 -10.286   0.910
   70    H3*    U  33           H3*        U  33  58.361 -11.099  -1.966
   71    H2*    U  33           H2*        U  33  56.122 -11.976  -1.869
   72   2HO*    U  33          2HO*        U  33  55.359 -11.374   0.617
   73    H1*    U  33           H1*        U  33  55.008  -9.823  -0.511
   74    H3     U  33           H3         U  33  53.608  -9.325  -4.799
   75    H5     U  33           H5         U  33  57.495  -7.736  -4.740
   76    H6     U  33           H6         U  33  57.731  -8.599  -2.506
   77   1H5*  CM0  34          1H5*      CM0  34  57.234 -15.315  -1.024
   78   2H5*  CM0  34          2H5*      CM0  34  58.900 -15.913  -1.153
   79    H4*  CM0  34           H4*      CM0  34  58.610 -16.563  -3.394
   80    H3*  CM0  34           H3*      CM0  34  56.132 -14.874  -3.424
   81    H1*  CM0  34           H1*      CM0  34  55.897 -18.738  -3.521
   82    H2*  CM0  34           H2*      CM0  34  55.066 -16.456  -4.891
   83    H6   CM0  34           H6       CM0  34  55.550 -16.904  -0.713
   84    H3   CM0  34           H3       CM0  34  51.393 -17.549  -2.968
   85   1H7C  CM0  34          H7        CM0  34  54.562 -17.331   2.444
   86   2H7C  CM0  34          H8        CM0  34  54.030 -18.597   1.293
   87    HA   CM0  34          2HO*      CM0  34  57.071 -18.306  -5.044
   88   1H5*    A  35          1H5*        A  35  54.721 -12.148  -5.775
   89   2H5*    A  35          2H5*        A  35  54.682 -12.774  -4.115
   90    H4*    A  35           H4*        A  35  52.851 -13.800  -6.264
   91    H3*    A  35           H3*        A  35  52.573 -11.215  -5.706
   92    H2*    A  35           H2*        A  35  52.557 -11.403  -3.289
   93   2HO*    A  35          2HO*        A  35  50.593 -10.393  -3.799
   94    H1*    A  35           H1*        A  35  50.684 -13.804  -3.526
   95    H8     A  35           H8         A  35  54.190 -13.646  -2.003
   96   1H6     A  35          H62         A  35  51.359 -14.379   3.455
   97   2H6     A  35          H61         A  35  52.904 -14.298   2.640
   98    H2     A  35           H2         A  35  48.205 -13.840   0.311
   99   1H5*    C  36          1H5*        C  36  48.717 -12.286  -4.314
  100   2H5*    C  36          2H5*        C  36  47.686 -12.091  -5.744
  101    H4*    C  36           H4*        C  36  46.208 -10.886  -4.625
  102    H3*    C  36           H3*        C  36  48.517  -9.171  -3.756
  103    H2*    C  36           H2*        C  36  47.151  -8.272  -1.992
  104   2HO*    C  36          2HO*        C  36  44.884  -9.751  -2.547
  105    H1*    C  36           H1*        C  36  46.016 -10.729  -1.241
  106   1H4     C  36          H42         C  36  50.914 -10.063   2.730
  107   2H4     C  36          H41         C  36  52.021 -10.625   1.498
  108    H5     C  36           H5         C  36  51.330 -11.089  -0.778
  109    H6     C  36           H6         C  36  49.443 -11.107  -2.324
  110   1H5*    A  37          1H5*        A  37  45.289  -6.756  -3.312
  111   2H5*    A  37          2H5*        A  37  45.726  -5.096  -3.759
  112    H4*    A  37           H4*        A  37  45.033  -5.482  -1.367
  113    H3*    A  37           H3*        A  37  47.532  -4.029  -2.138
  114    H2*    A  37           H2*        A  37  48.164  -3.823   0.174
  115   2HO*    A  37          2HO*        A  37  46.660  -4.601   1.807
  116    H1*    A  37           H1*        A  37  47.584  -6.443   0.887
  117    H8     A  37           H8         A  37  48.829  -6.693  -2.605
  118   1H6     A  37          H62         A  37  54.575  -6.478  -0.307
  119   2H6     A  37          H61         A  37  53.611  -6.791  -1.732
  120    H2     A  37           H2         A  37  51.720  -5.405   2.980
  121   1H5*    A  38          1H5*        A  38  45.597  -1.105   0.896
  122   2H5*    A  38          2H5*        A  38  46.400   0.404   0.416
  123    H4*    A  38           H4*        A  38  46.776  -0.674   2.786
  124    H3*    A  38           H3*        A  38  48.755   0.816   1.102
  125    H2*    A  38           H2*        A  38  50.509   0.295   2.664
  126   2HO*    A  38          2HO*        A  38  48.560   0.343   4.403
  127    H1*    A  38           H1*        A  38  49.822  -2.381   3.019
  128    H8     A  38           H8         A  38  49.197  -1.343  -0.563
  129   1H6     A  38          H62         A  38  55.102  -2.860  -1.642
  130   2H6     A  38          H61         A  38  53.582  -2.400  -2.376
  131    H2     A  38           H2         A  38  54.423  -2.977   2.788
  132   1H5*    G  39          1H5*        G  39  49.810   1.848   4.439
  133   2H5*    G  39          2H5*        G  39  50.209   3.553   4.727
  134    H4*    G  39           H4*        G  39  52.162   2.181   5.027
  135    H3*    G  39           H3*        G  39  52.261   4.000   2.628
  136    H2*    G  39           H2*        G  39  54.504   3.196   2.223
  137   2HO*    G  39          2HO*        G  39  54.174   1.896   4.748
  138    H1*    G  39           H1*        G  39  53.861   0.507   2.613
  139    H8     G  39           H8         G  39  50.871   1.834   0.929
  140    H1     G  39           H1         G  39  55.828   1.104  -3.078
  141   1H2     G  39          H22         G  39  57.682   0.791  -1.961
  142   2H2     G  39          H21         G  39  57.708   0.734  -0.207
  143   1H5*    G  40          1H5*        G  40  55.772   4.408   4.491
  144   2H5*    G  40          2H5*        G  40  56.143   6.095   4.902
  145    H4*    G  40           H4*        G  40  58.063   5.229   3.871
  146    H3*    G  40           H3*        G  40  56.543   7.016   1.985
  147    H2*    G  40           H2*        G  40  58.269   6.627   0.349
  148   2HO*    G  40          2HO*        G  40  59.621   5.216   2.438
  149    H1*    G  40           H1*        G  40  58.408   3.874   0.789
  150    H8     G  40           H8         G  40  54.812   4.599   1.105
  151    H1     G  40           H1         G  40  56.828   4.568  -4.983
  152   1H2     G  40          H22         G  40  59.017   4.688  -5.055
  153   2H2     G  40          H21         G  40  59.999   4.737  -3.601
  154   1H5*    A  41          1H5*        A  41  60.525   7.830   1.914
  155   2H5*    A  41          2H5*        A  41  60.910   9.555   2.045
  156    H4*    A  41           H4*        A  41  62.159   8.630   0.239
  157    H3*    A  41           H3*        A  41  59.940  10.458  -0.648
  158    H2*    A  41           H2*        A  41  60.640  10.091  -2.930
  159   2HO*    A  41          2HO*        A  41  62.821   8.633  -1.787
  160    H1*    A  41           H1*        A  41  60.917   7.326  -2.664
  161    H8     A  41           H8         A  41  57.950   8.156  -0.589
  162   1H6     A  41          H62         A  41  54.645   8.312  -5.808
  163   2H6     A  41          H61         A  41  54.573   8.413  -4.057
  164    H2     A  41           H2         A  41  58.974   8.100  -6.925
  165   1H5*    G  42          1H5*        G  42  63.139  11.375  -2.889
  166   2H5*    G  42          2H5*        G  42  63.564  13.092  -2.744
  167    H4*    G  42           H4*        G  42  63.555  12.603  -5.040
  168    H3*    G  42           H3*        G  42  61.076  14.123  -4.257
  169    H2*    G  42           H2*        G  42  60.423  14.088  -6.578
  170   2HO*    G  42          2HO*        G  42  63.045  13.029  -7.001
  171    H1*    G  42           H1*        G  42  61.096  11.395  -6.977
  172    H8     G  42           H8         G  42  59.629  11.482  -3.594
  173    H1     G  42           H1         G  42  55.225  11.898  -8.241
  174   1H2     G  42          H22         G  42  56.189  12.289 -10.175
  175   2H2     G  42          H21         G  42  57.930  12.474 -10.309
  176   1H5*    G  43          1H5*        G  43  62.457  15.751  -7.683
  177   2H5*    G  43          2H5*        G  43  62.661  17.508  -7.538
  178    H4*    G  43           H4*        G  43  61.457  17.095  -9.529
  179    H3*    G  43           H3*        G  43  59.692  18.193  -7.350
  180    H2*    G  43           H2*        G  43  57.859  18.154  -8.914
  181   2HO*    G  43          2HO*        G  43  59.863  17.516 -10.854
  182    H1*    G  43           H1*        G  43  58.519  15.634  -9.993
  183    H8     G  43           H8         G  43  59.060  15.303  -6.352
  184    H1     G  43           H1         G  43  52.860  15.119  -7.999
  185   1H2     G  43          H22         G  43  52.604  15.806 -10.078
  186   2H2     G  43          H21         G  43  53.970  16.291 -11.065
  187    H3T    G  43           H3T        G  43  61.446  19.331  -8.484
  Start of MODEL   11
    1   1H5*    C  27          1H5*        C  27  44.088  12.860  -6.972
    2   2H5*    C  27          2H5*        C  27  44.046  11.328  -7.865
    3    H4*    C  27           H4*        C  27  45.037  12.854  -9.321
    4    H3*    C  27           H3*        C  27  47.116  11.096  -8.051
    5    H2*    C  27           H2*        C  27  48.810  12.278  -9.291
    6   2HO*    C  27          2HO*        C  27  48.270  13.059 -11.192
    7    H1*    C  27           H1*        C  27  47.795  14.822  -8.779
    8   1H4     C  27          H42         C  27  52.064  13.725  -4.183
    9   2H4     C  27          H41         C  27  50.786  13.093  -3.167
   10    H5     C  27           H5         C  27  48.525  12.754  -3.954
   11    H6     C  27           H6         C  27  47.026  12.965  -5.869
   12    H5T    C  27           H5T        C  27  45.039  10.575  -6.178
   13   1H5*    C  28          1H5*        C  28  48.024  11.253 -11.947
   14   2H5*    C  28          2H5*        C  28  48.121   9.654 -12.711
   15    H4*    C  28           H4*        C  28  50.059  10.767 -13.374
   16    H3*    C  28           H3*        C  28  50.705   8.853 -11.138
   17    H2*    C  28           H2*        C  28  53.010   9.532 -11.341
   18   2HO*    C  28          2HO*        C  28  53.705  10.172 -13.243
   19    H1*    C  28           H1*        C  28  52.446  12.259 -11.508
   20   1H4     C  28          H42         C  28  53.501  11.112  -5.341
   21   2H4     C  28          H41         C  28  51.776  10.859  -5.116
   22    H5     C  28           H5         C  28  50.216  10.772  -6.941
   23    H6     C  28           H6         C  28  49.958  10.964  -9.357
   24   1H5*    U  29          1H5*        U  29  53.496   8.377 -14.067
   25   2H5*    U  29          2H5*        U  29  53.717   6.678 -14.528
   26    H4*    U  29           H4*        U  29  55.860   7.617 -14.177
   27    H3*    U  29           H3*        U  29  55.076   5.753 -11.943
   28    H2*    U  29           H2*        U  29  57.228   6.179 -10.947
   29   2HO*    U  29          2HO*        U  29  58.870   6.792 -12.145
   30    H1*    U  29           H1*        U  29  57.152   8.938 -11.355
   31    H3     U  29           H3         U  29  56.594   7.944  -6.896
   32    H5     U  29           H5         U  29  52.750   8.080  -8.594
   33    H6     U  29           H6         U  29  53.797   8.116 -10.758
   34   1H5*    C  30          1H5*        C  30  58.977   5.066 -12.950
   35   2H5*    C  30          2H5*        C  30  59.270   3.341 -13.244
   36    H4*    C  30           H4*        C  30  60.964   4.191 -11.781
   37    H3*    C  30           H3*        C  30  59.040   2.289 -10.472
   38    H2*    C  30           H2*        C  30  60.271   2.545  -8.415
   39   2HO*    C  30          2HO*        C  30  62.336   3.062  -8.475
   40    H1*    C  30           H1*        C  30  60.513   5.321  -8.593
   41   1H4     C  30          H42         C  30  55.300   4.127  -5.134
   42   2H4     C  30          H41         C  30  54.326   4.206  -6.583
   43    H5     C  30           H5         C  30  55.288   4.429  -8.790
   44    H6     C  30           H6         C  30  57.367   4.649 -10.044
   45   1H5*    C  31          1H5*        C  31  62.714   1.342  -9.240
   46   2H5*    C  31          2H5*        C  31  63.162  -0.330  -9.636
   47    H4*    C  31           H4*        C  31  63.787  -0.061  -7.412
   48    H3*    C  31           H3*        C  31  61.171  -1.535  -7.576
   49    H2*    C  31           H2*        C  31  61.127  -1.644  -5.172
   50   2HO*    C  31          2HO*        C  31  63.373  -0.311  -4.528
   51    H1*    C  31           H1*        C  31  61.996   0.997  -4.768
   52   1H4     C  31          H42         C  31  55.649   1.099  -4.413
   53   2H4     C  31          H41         C  31  55.549   1.356  -6.143
   54    H5     C  31           H5         C  31  57.502   1.330  -7.581
   55    H6     C  31           H6         C  31  59.916   0.999  -7.653
   56   1H5*    C  32          1H5*        C  32  62.526  -3.995  -4.885
   57   2H5*    C  32          2H5*        C  32  62.292  -5.650  -5.479
   58    H4*    C  32           H4*        C  32  61.062  -4.976  -3.364
   59    H3*    C  32           H3*        C  32  59.764  -6.367  -5.678
   60    H2*    C  32           H2*        C  32  57.631  -6.250  -4.564
   61   2HO*    C  32          2HO*        C  32  59.051  -5.143  -2.341
   62    H1*    C  32           H1*        C  32  57.855  -3.591  -3.791
   63   1H4     C  32          H42         C  32  55.138  -3.146  -9.503
   64   2H4     C  32          H41         C  32  56.680  -3.402 -10.290
   65    H5     C  32           H5         C  32  58.710  -3.913  -9.072
   66    H6     C  32           H6         C  32  59.667  -4.286  -6.860
   67   1H5*    U  33          1H5*        U  33  58.482  -8.767  -1.666
   68   2H5*    U  33          2H5*        U  33  59.190 -10.269  -2.292
   69    H4*    U  33           H4*        U  33  57.073 -10.743  -1.280
   70    H3*    U  33           H3*        U  33  57.194 -11.080  -4.257
   71    H2*    U  33           H2*        U  33  54.865 -11.698  -4.279
   72   2HO*    U  33          2HO*        U  33  54.709 -12.942  -2.423
   73    H1*    U  33           H1*        U  33  54.013  -9.649  -2.605
   74    H3     U  33           H3         U  33  52.750  -8.392  -6.786
   75    H5     U  33           H5         U  33  56.782  -7.254  -6.476
   76    H6     U  33           H6         U  33  56.881  -8.455  -4.391
   77   1H5*  CM0  34          1H5*      CM0  34  56.724 -16.055  -4.545
   78   2H5*  CM0  34          2H5*      CM0  34  58.024 -15.667  -5.688
   79    H4*  CM0  34           H4*      CM0  34  56.658 -15.693  -7.439
   80    H3*  CM0  34           H3*      CM0  34  54.748 -14.034  -5.820
   81    H1*  CM0  34           H1*      CM0  34  53.698 -17.412  -7.396
   82    H2*  CM0  34           H2*      CM0  34  52.957 -14.715  -7.277
   83    H6   CM0  34           H6       CM0  34  54.574 -16.731  -4.122
   84    H3   CM0  34           H3       CM0  34  49.864 -16.743  -4.888
   85   1H7C  CM0  34          H7        CM0  34  54.539 -18.593  -2.282
   86   2H7C  CM0  34          H8        CM0  34  53.001 -19.047  -1.482
   87    HA   CM0  34          2HO*      CM0  34  54.632 -16.291  -8.882
   88   1H5*    A  35          1H5*        A  35  52.616 -13.319  -9.253
   89   2H5*    A  35          2H5*        A  35  52.412 -11.561  -9.136
   90    H4*    A  35           H4*        A  35  50.370 -13.144  -8.895
   91    H3*    A  35           H3*        A  35  50.666 -10.529  -8.134
   92    H2*    A  35           H2*        A  35  51.185 -10.936  -5.819
   93   2HO*    A  35          2HO*        A  35  49.236  -9.869  -5.614
   94    H1*    A  35           H1*        A  35  49.243 -13.307  -5.903
   95    H8     A  35           H8         A  35  52.949 -12.895  -4.871
   96   1H6     A  35          H62         A  35  51.094 -14.985   0.655
   97   2H6     A  35          H61         A  35  52.472 -14.490  -0.305
   98    H2     A  35           H2         A  35  47.475 -14.560  -1.959
   99   1H5*    C  36          1H5*        C  36  47.138 -11.558  -5.977
  100   2H5*    C  36          2H5*        C  36  45.823 -11.081  -7.068
  101    H4*    C  36           H4*        C  36  44.767  -9.967  -5.474
  102    H3*    C  36           H3*        C  36  47.387  -8.616  -4.894
  103    H2*    C  36           H2*        C  36  46.551  -7.970  -2.733
  104   2HO*    C  36          2HO*        C  36  44.066  -8.768  -3.869
  105    H1*    C  36           H1*        C  36  45.340 -10.435  -2.152
  106   1H4     C  36          H42         C  36  51.028 -10.972   0.584
  107   2H4     C  36          H41         C  36  51.786 -11.253  -0.967
  108    H5     C  36           H5         C  36  50.579 -11.126  -3.063
  109    H6     C  36           H6         C  36  48.406 -10.708  -4.092
  110   1H5*    A  37          1H5*        A  37  44.573  -5.470  -3.705
  111   2H5*    A  37          2H5*        A  37  45.541  -3.994  -3.882
  112    H4*    A  37           H4*        A  37  44.797  -4.753  -1.534
  113    H3*    A  37           H3*        A  37  47.484  -3.675  -2.273
  114    H2*    A  37           H2*        A  37  48.322  -4.125  -0.061
  115   2HO*    A  37          2HO*        A  37  45.848  -5.188   0.773
  116    H1*    A  37           H1*        A  37  47.309  -6.690   0.136
  117    H8     A  37           H8         A  37  48.064  -6.356  -3.479
  118   1H6     A  37          H62         A  37  53.977  -7.598  -2.126
  119   2H6     A  37          H61         A  37  52.804  -7.427  -3.414
  120    H2     A  37           H2         A  37  51.802  -6.820   1.718
  121   1H5*    A  38          1H5*        A  38  46.509  -1.719   1.633
  122   2H5*    A  38          2H5*        A  38  47.255  -0.115   1.482
  123    H4*    A  38           H4*        A  38  47.991  -1.687   3.391
  124    H3*    A  38           H3*        A  38  49.821  -0.016   1.703
  125    H2*    A  38           H2*        A  38  51.724  -0.959   2.844
  126   2HO*    A  38          2HO*        A  38  49.721  -2.008   4.584
  127    H1*    A  38           H1*        A  38  50.852  -3.595   2.720
  128    H8     A  38           H8         A  38  49.629  -2.211  -0.471
  129   1H6     A  38          H62         A  38  55.363  -2.830  -2.723
  130   2H6     A  38          H61         A  38  53.690  -2.519  -3.125
  131    H2     A  38           H2         A  38  55.543  -3.410   1.719
  132   1H5*    G  39          1H5*        G  39  51.342   0.637   5.199
  133   2H5*    G  39          2H5*        G  39  51.614   2.340   5.618
  134    H4*    G  39           H4*        G  39  53.684   1.136   5.742
  135    H3*    G  39           H3*        G  39  53.533   3.103   3.468
  136    H2*    G  39           H2*        G  39  55.816   2.518   2.927
  137   2HO*    G  39          2HO*        G  39  55.688   1.150   5.427
  138    H1*    G  39           H1*        G  39  55.415  -0.237   3.179
  139    H8     G  39           H8         G  39  52.272   0.946   1.670
  140    H1     G  39           H1         G  39  57.124   0.797  -2.523
  141   1H2     G  39          H22         G  39  59.035   0.589  -1.485
  142   2H2     G  39          H21         G  39  59.126   0.452   0.263
  143   1H5*    G  40          1H5*        G  40  57.073   3.693   5.206
  144   2H5*    G  40          2H5*        G  40  57.324   5.376   5.709
  145    H4*    G  40           H4*        G  40  59.257   4.752   4.541
  146    H3*    G  40           H3*        G  40  57.496   6.489   2.822
  147    H2*    G  40           H2*        G  40  59.180   6.346   1.103
  148   2HO*    G  40          2HO*        G  40  60.738   4.964   3.063
  149    H1*    G  40           H1*        G  40  59.585   3.597   1.388
  150    H8     G  40           H8         G  40  55.953   3.985   1.863
  151    H1     G  40           H1         G  40  57.729   4.410  -4.284
  152   1H2     G  40          H22         G  40  59.895   4.725  -4.424
  153   2H2     G  40          H21         G  40  60.924   4.793  -3.005
  154   1H5*    A  41          1H5*        A  41  61.376   7.680   2.653
  155   2H5*    A  41          2H5*        A  41  61.610   9.424   2.874
  156    H4*    A  41           H4*        A  41  62.863   8.732   0.976
  157    H3*    A  41           H3*        A  41  60.441  10.370   0.265
  158    H2*    A  41           H2*        A  41  61.081  10.188  -2.056
  159   2HO*    A  41          2HO*        A  41  63.463   9.004  -1.004
  160    H1*    A  41           H1*        A  41  61.644   7.455  -1.948
  161    H8     A  41           H8         A  41  58.692   7.885   0.268
  162   1H6     A  41          H62         A  41  55.190   7.932  -4.820
  163   2H6     A  41          H61         A  41  55.176   7.956  -3.065
  164    H2     A  41           H2         A  41  59.470   8.223  -6.093
  165   1H5*    G  42          1H5*        G  42  63.425  11.705  -2.048
  166   2H5*    G  42          2H5*        G  42  63.688  13.446  -1.829
  167    H4*    G  42           H4*        G  42  63.619  13.076  -4.145
  168    H3*    G  42           H3*        G  42  61.034  14.290  -3.183
  169    H2*    G  42           H2*        G  42  60.289  14.306  -5.477
  170   2HO*    G  42          2HO*        G  42  62.954  13.473  -6.096
  171    H1*    G  42           H1*        G  42  61.214  11.720  -6.047
  172    H8     G  42           H8         G  42  59.888  11.485  -2.612
  173    H1     G  42           H1         G  42  55.276  11.676  -7.066
  174   1H2     G  42          H22         G  42  56.111  12.257  -9.008
  175   2H2     G  42          H21         G  42  57.818  12.629  -9.198
  176   1H5*    G  43          1H5*        G  43  62.079  16.230  -6.573
  177   2H5*    G  43          2H5*        G  43  62.108  17.987  -6.331
  178    H4*    G  43           H4*        G  43  60.859  17.562  -8.291
  179    H3*    G  43           H3*        G  43  59.091  18.336  -5.978
  180    H2*    G  43           H2*        G  43  57.203  18.192  -7.467
  181   2HO*    G  43          2HO*        G  43  59.170  17.876  -9.522
  182    H1*    G  43           H1*        G  43  58.072  15.821  -8.721
  183    H8     G  43           H8         G  43  58.815  15.353  -5.130
  184    H1     G  43           H1         G  43  52.598  14.591  -6.531
  185   1H2     G  43          H22         G  43  52.176  15.353  -8.556
  186   2H2     G  43          H21         G  43  53.436  16.034  -9.567
  187    H3T    G  43           H3T        G  43  59.023  20.050  -7.858