*HEADER    RNA                                     26-JUN-07   2JRG              
*TITLE     NMR SOLUTION STRUCTURE OF THE ANTICODON OF E. COLI TRNA-              
*TITLE    2 VAL3 WITH 2 MODIFICATIONS (CMO5U34 M6A37)                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)P*AP*CP*(6MZ)              
*COMPND   3 P*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, N6-                        
*KEYWDS   3 METHYLADENOSINE, M6A                                                 
*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 2JRG    0                                                


!Stem 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 

!-------------------------------------------------------------------

! Planar restraints to maintain base pair planarity


evaluate ($pscale =150)  {was 50}



! 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

!------------------------------------------------------------------------

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 Restraints

assign (residue 31 and name H1') (residue 32 and name H2') 7.03 1.4 1.4
assign (residue 31 and name H1') (residue 32 and name H6) 5.28 1.0 1.0
assign (residue 31 and name H5) (residue 32 and name H6) 6.41 1.3 1.3


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') 3.64 0.7 0.7
assign (residue 32 and name H2') (residue 32 and name H5) 5.19 1.0 1.0
assign (residue 32 and name H6) (residue 32 and name H1') 3.63 0.7 0.7
assign (residue 32 and name H6) (residue 32 and name H3') 2.40 0.5 0.5
assign (residue 32 and name H5) (residue 31 and name H5) 5.44 1.0 1.0
assign (residue 32 and name H6) (residue 31 and name H2') 2.48 0.5 0.5
assign (residue 32 and name H6) (residue 31 and name H3') 3.41 0.7 0.7
assign (residue 32 and name H6) (residue 33 and name H5) 3.08 0.6 0.6
assign (residue 32 and name H5) (residue 31 and name H2') 3.95 0.8 0.8
assign (residue 32 and name H6) (residue 31 and name H4') 5.64 1.1 1.1
assign (residue 32 and name H1') (residue 32 and name H2') 2.44 0.5 0.5


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') 3.86 0.8 0.8
assign (residue 33 and name H6) (residue 33 and name H1') 3.57 0.7 0.7
assign (residue 33 and name H6) (residue 33 and name H3') 2.75 0.5 0.5
assign (residue 33 and name H6) (residue 32 and name H1') 5.10 1.0 1.0
assign (residue 33 and name H6) (residue 32 and name H2') 2.35 0.5 0.5
assign (residue 33 and name H5) (residue 32 and name H2') 2.97 0.6 0.6
assign (residue 33 and name H5) (residue 32 and name H3') 2.46 0.5 0.5
assign (residue 33 and name H6) (residue 33 and name H4') 3.85 0.8 0.8
assign (residue 33 and name H3') (residue 33 and name H5) 4.51 0.9 0.9

assign (residue 34 and name H6) (residue 34 and name H2') 3.99 0.8 0.8
assign (residue 34 and name H6) (residue 34 and name H3') 3.23 0.6 0.6
assign (residue 34 and name H6) (residue 34 and name H8#) 3.53 0.7 0.7
assign (residue 34 and name H6) (residue 34 and name H7#) 3.53 0.7 0.7
assign (residue 34 and name H6) (residue 34 and name H1') 3.47 0.7 0.7
assign (residue 34 and name H6) (residue 34 and name H5'') 3.43 0.7 0.7
assign (residue 34 and name H6) (residue 34 and name H5') 2.62 0.5 0.5
assign (residue 34 and name H6) (residue 35 and name H3') 6.41 1.3 1.3
assign (residue 34 and name H6) (residue 35 and name H4') 5.50 1.1 1.1
assign (residue 34 and name H1') (residue 34 and name H2') 2.44 0.5 0.5

assign (residue 35 and name H1') (residue 35 and name H2') 2.44 0.5 0.5
assign (residue 35 and name H2') (residue 35 and name H8) 4.36 0.9 0.9
assign (residue 35 and name H8) (residue 35 and name H1') 3.46 0.7 0.7
assign (residue 35 and name H8) (residue 35 and name H3') 4.17 0.8 0.8
assign (residue 35 and name H8) (residue 35 and name H4') 4.64 0.9 0.9
assign (residue 35 and name H1') (residue 35 and name H4') 3.15 0.6 0.6
assign (residue 35 and name H2) (residue 37 and name H1') 5.53 1.1 1.1
assign (residue 35 and name H8) (residue 34 and name H7#) 5.53 1.1 1.1
assign (residue 35 and name H8) (residue 33 and name H1') 4.49 0.9 0.9
assign (residue 35 and name H8) (residue 34 and name H8#) 5.53 1.0 1.0
assign (residue 35 and name H2) (residue 36 and name H1') 4.91 1.0 1.0
assign (residue 35 and name H8) (residue 34 and name H1') 5.64 1.1 1.1
assign (residue 35 and name H8) (residue 34 and name H6) 2.96 0.6 0.6
assign (residue 35 and name H8) (residue 34 and name H2') 4.64 1.0 1.0
assign (residue 35 and name H8) (residue 34 and name H5'') 4.07 0.8 0.8
assign (residue 35 and name H8) (residue 34 and name H3') 2.70 0.5 0.5
assign (residue 35 and name H8) (residue 34 and name H5') 2.32 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') 3.68 0.7 0.7
assign (residue 36 and name H6) (residue 36 and name H1') 3.62 0.7 0.7
assign (residue 36 and name H6) (residue 36 and name H3') 2.52 0.5 0.5
assign (residue 36 and name H6) (residue 36 and name H4') 3.91 0.8 0.8
assign (residue 36 and name H6) (residue 35 and name H2') 2.85 0.6 0.6
assign (residue 36 and name H6) (residue 35 and name H3') 3.74 0.7 0.7
assign (residue 36 and name H6) (residue 33 and name H1') 7.01 1.4 1.4
assign (residue 36 and name H6) (residue 37 and name H1') 5.48 1.0 1.0
assign (residue 36 and name H6) (residue 37 and name H4') 6.69 1.3 1.3
assign (residue 36 and name H5) (residue 35 and name H2') 2.42 0.5 0.5
assign (residue 36 and name H6) (residue 35 and name H4') 5.71 1.1 1.1
assign (residue 36 and name H5) (residue 35 and name H8) 5.32 1.0 1.0
assign (residue 36 and name H5) (residue 37 and name H8) 3.65 0.7 0.7

assign (residue 37 and name H8) (residue 37 and name H1') 3.52 0.7 0.7
assign (residue 37 and name H8) (residue 37 and name H3') 3.61 0.7 0.7
assign (residue 37 and name H2') (residue 37 and name H8) 4.41 0.9 0.9
assign (residue 37 and name H4') (residue 37 and name H8) 4.31 0.9 0.9
assign (residue 37 and name H1') (residue 37 and name H4') 3.59 0.7 0.7
assign (residue 37 and name H1') (residue 37 and name H3') 3.87 0.8 0.8
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') 4.05 0.8 0.8

assign (residue 38 and name H8) (residue 38 and name H1') 3.53 0.7 0.7
assign (residue 38 and name H4') (residue 38 and name H8) 4.32 0.9 0.9
assign (residue 38 and name H8) (residue 38 and name H2') 4.40 0.9 0.9
assign (residue 38 and name H8) (residue 38 and name H3') 3.57 0.7 0.7
assign (residue 38 and name H1') (residue 37 and name H71#) 3.84 0.8 0.8
assign (residue 38 and name H1') (residue 37 and name H72#) 3.84 0.8 0.8
assign (residue 38 and name H1') (residue 37 and name H73#) 3.84 0.8 0.8
assign (residue 38 and name H2) (residue 37 and name H71#) 4.13 0.8 0.8
assign (residue 38 and name H2) (residue 37 and name H72#) 4.13 0.8 0.8
assign (residue 38 and name H2) (residue 37 and name H73#) 4.13 0.8 0.8
assign (residue 38 and name H2') (residue 39 and name H8) 2.27 0.4 0.4
assign (residue 38 and name H3') (residue 39 and name H8) 2.73 0.5 0.5
assign (residue 39 and name H1') (residue 38 and name H2) 2.34 0.5 0.5
assign (residue 39 and name H8) (residue 38 and name H1') 4.71 0.9 0.9

!--------------------------------
!Torsion Angles
!--------------------------------

!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

!cmo5U34  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  

!6MZ37 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


!U33  
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

!cmo5U34 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 0 120 2


!6MZ37 
assign (resid 36 and name O3')                                  
       (resid 37 and name P  )                                  
       (resid 37 and name O5')                                  
       (resid 37 and name C5')    1.0 0 120 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

!cmo5U34 
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

!6MZ37
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


!---------------------------------------------------
!Xhi 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

!cmo5U34
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
assign (resid 35 and name O4') 
       (resid 35 and name C1')
       (resid 35 and name N9 )
       (resid 35 and name C4 ) 1.0 -158.0 30.0 2

!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

!6MZ37
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

!cmo5U34                                                                              
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

     
!6MZ37                                                                   
!                                                                               
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
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

!cmo5U34 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
assign (resid 36 and name C3')                                  
       (resid 36 and name O3')                                  
       (resid 37 and name P  )                                  
       (resid 37 and name O5')  1.0 -71 20  2

!6MZ37 unrestrained


!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

!C30 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 

!G42 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 C2'endo

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

!C27 left unconstrained 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

!GUA 40
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


!GUA 40
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
!---------------------------------------------------
!Xhi 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 








  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C  27          1H5*        C  27  49.396  11.839  -6.951
    2   2H5*    C  27          2H5*        C  27  49.692  10.299  -7.779
    3    H4*    C  27           H4*        C  27  51.259  11.777  -8.665
    4    H3*    C  27           H3*        C  27  52.534   9.971  -6.632
    5    H2*    C  27           H2*        C  27  54.635  11.086  -7.024
    6   2HO*    C  27          2HO*        C  27  54.986  11.867  -8.967
    7    H1*    C  27           H1*        C  27  53.582  13.666  -6.984
    8   1H4     C  27          H42         C  27  55.426  12.487  -1.004
    9   2H4     C  27          H41         C  27  53.816  11.908  -0.639
   10    H5     C  27           H5         C  27  52.104  11.627  -2.321
   11    H6     C  27           H6         C  27  51.578  11.866  -4.692
   12    H5T    C  27           H5T        C  27  49.807  10.873  -5.151
   13   1H5*    C  28          1H5*        C  28  55.026  10.048  -9.750
   14   2H5*    C  28          2H5*        C  28  55.395   8.440 -10.406
   15    H4*    C  28           H4*        C  28  57.462   9.487 -10.157
   16    H3*    C  28           H3*        C  28  57.017   7.581  -7.867
   17    H2*    C  28           H2*        C  28  59.208   8.186  -7.059
   18   2HO*    C  28          2HO*        C  28  60.671   8.787  -8.476
   19    H1*    C  28           H1*        C  28  58.856  10.927  -7.446
   20   1H4     C  28          H42         C  28  57.137   9.816  -1.424
   21   2H4     C  28          H41         C  28  55.475   9.615  -1.957
   22    H5     C  28           H5         C  28  54.842   9.557  -4.274
   23    H6     C  28           H6         C  28  55.648   9.732  -6.570
   24   1H5*    U  29          1H5*        U  29  60.775   6.973  -9.315
   25   2H5*    U  29          2H5*        U  29  61.112   5.263  -9.639
   26    H4*    U  29           H4*        U  29  62.929   6.135  -8.400
   27    H3*    U  29           H3*        U  29  61.197   4.330  -6.719
   28    H2*    U  29           H2*        U  29  62.731   4.697  -4.900
   29   2HO*    U  29          2HO*        U  29  64.747   5.248  -5.275
   30    H1*    U  29           H1*        U  29  62.932   7.451  -5.295
   31    H3     U  29           H3         U  29  60.481   6.531  -1.508
   32    H5     U  29           H5         U  29  57.745   6.775  -4.692
   33    H6     U  29           H6         U  29  59.618   6.751  -6.197
   34   1H5*    C  30          1H5*        C  30  65.126   3.504  -5.976
   35   2H5*    C  30          2H5*        C  30  65.461   1.767  -6.120
   36    H4*    C  30           H4*        C  30  66.403   2.585  -4.077
   37    H3*    C  30           H3*        C  30  64.045   0.759  -3.705
   38    H2*    C  30           H2*        C  30  64.299   1.006  -1.321
   39   2HO*    C  30          2HO*        C  30  66.213   1.455  -0.505
   40    H1*    C  30           H1*        C  30  64.684   3.770  -1.378
   41   1H4     C  30          H42         C  30  58.461   2.766  -0.448
   42   2H4     C  30          H41         C  30  58.194   2.862  -2.174
   43    H5     C  30           H5         C  30  60.004   3.033  -3.766
   44    H6     C  30           H6         C  30  62.424   3.175  -4.024
   45   1H5*    C  31          1H5*        C  31  66.880  -0.333  -1.018
   46   2H5*    C  31          2H5*        C  31  67.315  -2.044  -1.195
   47    H4*    C  31           H4*        C  31  66.972  -1.702   1.096
   48    H3*    C  31           H3*        C  31  64.636  -3.119  -0.160
   49    H2*    C  31           H2*        C  31  63.557  -3.168   1.988
   50   2HO*    C  31          2HO*        C  31  65.232  -1.921   3.605
   51    H1*    C  31           H1*        C  31  64.262  -0.544   2.709
   52   1H4     C  31          H42         C  31  58.372  -0.265   0.331
   53   2H4     C  31          H41         C  31  59.024  -0.022  -1.276
   54    H5     C  31           H5         C  31  61.403  -0.120  -1.745
   55    H6     C  31           H6         C  31  63.606  -0.520  -0.782
   56   1H5*    C  32          1H5*        C  32  65.242  -4.670   3.406
   57   2H5*    C  32          2H5*        C  32  65.149  -6.440   3.457
   58    H4*    C  32           H4*        C  32  63.590  -5.213   4.988
   59    H3*    C  32           H3*        C  32  62.651  -7.321   3.083
   60    H2*    C  32           H2*        C  32  60.365  -6.926   3.726
   61   2HO*    C  32          2HO*        C  32  61.640  -5.704   5.898
   62    H1*    C  32           H1*        C  32  60.494  -4.155   3.638
   63   1H4     C  32          H42         C  32  58.771  -5.838  -2.246
   64   2H4     C  32          H41         C  32  60.455  -5.924  -2.712
   65    H5     C  32           H5         C  32  62.272  -5.673  -1.129
   66    H6     C  32           H6         C  32  62.838  -5.290   1.212
   67   1H5*    U  33          1H5*        U  33  59.832  -8.346   5.782
   68   2H5*    U  33          2H5*        U  33  60.580  -9.778   6.515
   69    H4*    U  33           H4*        U  33  58.371 -10.382   6.030
   70    H3*    U  33           H3*        U  33  60.337 -11.570   4.112
   71    H2*    U  33           H2*        U  33  58.548 -12.538   2.828
   72   2HO*    U  33          2HO*        U  33  56.418 -11.567   4.223
   73    H1*    U  33           H1*        U  33  56.928 -10.281   2.806
   74    H3     U  33           H3         U  33  58.766 -10.509  -1.348
   75    H5     U  33           H5         U  33  61.653  -8.597   1.028
   76    H6     U  33           H6         U  33  60.312  -9.134   2.953
   77   1H5*  CM0  34          1H5*      CM0  34  57.915 -15.393   4.636
   78   2H5*  CM0  34          2H5*      CM0  34  59.242 -16.268   5.425
   79    H4*  CM0  34           H4*      CM0  34  60.034 -16.874   3.096
   80    H3*  CM0  34           H3*      CM0  34  57.433 -15.613   2.324
   81    H1*  CM0  34           H1*      CM0  34  57.683 -19.469   2.575
   82    H2*  CM0  34           H2*      CM0  34  56.953 -17.436   0.830
   83    H6   CM0  34           H6       CM0  34  56.552 -17.302   4.976
   84    H3   CM0  34           H3       CM0  34  53.076 -18.948   2.148
   85   1H7C  CM0  34          H7        CM0  34  55.460 -16.941   7.560
   86   2H7C  CM0  34          H8        CM0  34  54.668 -18.504   7.189
   87    HA   CM0  34          2HO*      CM0  34  58.513 -18.814   0.149
   88   1H5*    A  35          1H5*        A  35  56.363 -12.843   0.126
   89   2H5*    A  35          2H5*        A  35  56.562 -13.509   1.759
   90    H4*    A  35           H4*        A  35  54.464 -14.461  -0.177
   91    H3*    A  35           H3*        A  35  54.304 -12.123   1.689
   92    H2*    A  35           H2*        A  35  52.110 -12.816   2.396
   93   2HO*    A  35          2HO*        A  35  51.906 -15.112   0.920
   94    H1*    A  35           H1*        A  35  52.724 -15.514   2.688
   95    H8     A  35           H8         A  35  55.866 -14.219   3.879
   96   1H6     A  35          H62         A  35  53.111 -12.439   9.130
   97   2H6     A  35          H61         A  35  54.645 -12.722   8.339
   98    H2     A  35           H2         A  35  49.914 -13.394   6.134
   99   1H5*    C  36          1H5*        C  36  50.412 -12.696  -0.824
  100   2H5*    C  36          2H5*        C  36  50.635 -11.191  -1.738
  101    H4*    C  36           H4*        C  36  48.337 -11.354  -1.393
  102    H3*    C  36           H3*        C  36  49.590  -9.377   0.477
  103    H2*    C  36           H2*        C  36  47.462  -9.010   1.538
  104   2HO*    C  36          2HO*        C  36  46.467 -10.551  -0.651
  105    H1*    C  36           H1*        C  36  46.754 -11.692   1.727
  106   1H4     C  36          H42         C  36  49.819 -10.588   7.175
  107   2H4     C  36          H41         C  36  51.358 -10.839   6.381
  108    H5     C  36           H5         C  36  51.564 -11.190   3.994
  109    H6     C  36           H6         C  36  50.340 -11.371   1.891
  110    H2   6MZ  37           H2       6MZ  37  47.386  -6.556   9.040
  111    H8   6MZ  37           H8       6MZ  37  49.284  -8.331   3.170
  112    H1*  6MZ  37           H1*      6MZ  37  46.136  -8.641   4.511
  113   1H9C  6MZ  37          H72       6MZ  37  51.957  -5.865   7.942
  114   2H9C  6MZ  37          H73       6MZ  37  52.203  -6.778   6.430
  115   1H5*  6MZ  37          1H5*      6MZ  37  47.822  -5.214   1.088
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.640  -6.691   1.632
  117    H4*  6MZ  37           H4*      6MZ  37  45.657  -6.585   1.520
  118    H3*  6MZ  37           H3*      6MZ  37  47.289  -5.093   3.517
  119    H2*  6MZ  37           H2*      6MZ  37  46.053  -6.029   5.357
  120    HA   6MZ  37          2HO*      6MZ  37  43.985  -6.321   4.891
  121    H6   6MZ  37           H62      6MZ  37  51.754  -8.319   8.348
  122    H9   6MZ  37           H71      6MZ  37  53.153  -7.180   7.880
  123   1H5*    A  38          1H5*        A  38  47.793  -1.428   2.433
  124   2H5*    A  38          2H5*        A  38  47.588  -3.187   2.357
  125    H4*    A  38           H4*        A  38  47.516  -2.292   5.086
  126    H3*    A  38           H3*        A  38  49.826  -1.207   3.510
  127    H2*    A  38           H2*        A  38  51.329  -1.905   5.251
  128   2HO*    A  38          2HO*        A  38  50.316  -2.888   7.196
  129    H1*    A  38           H1*        A  38  50.151  -4.410   5.673
  130    H8     A  38           H8         A  38  49.904  -4.505   2.121
  131   1H6     A  38          H62         A  38  56.044  -5.167   1.667
  132   2H6     A  38          H61         A  38  54.520  -5.299   0.818
  133    H2     A  38           H2         A  38  55.094  -3.804   5.832
  134   1H5*    G  39          1H5*        G  39  50.363  -0.364   7.178
  135   2H5*    G  39          2H5*        G  39  50.541   1.342   7.635
  136    H4*    G  39           H4*        G  39  52.265   0.023   8.672
  137    H3*    G  39           H3*        G  39  53.241   1.925   6.550
  138    H2*    G  39           H2*        G  39  55.491   1.211   7.072
  139   2HO*    G  39          2HO*        G  39  54.212  -0.143   9.238
  140    H1*    G  39           H1*        G  39  54.866  -1.508   7.107
  141    H8     G  39           H8         G  39  52.735  -0.246   4.399
  142    H1     G  39           H1         G  39  58.910  -0.581   2.694
  143   1H2     G  39          H22         G  39  60.182  -0.833   4.449
  144   2H2     G  39          H21         G  39  59.518  -0.958   6.068
  145   1H5*    G  40          1H5*        G  40  55.656   2.436   9.619
  146   2H5*    G  40          2H5*        G  40  55.736   4.106  10.215
  147    H4*    G  40           H4*        G  40  57.954   3.417   9.991
  148    H3*    G  40           H3*        G  40  57.169   5.174   7.676
  149    H2*    G  40           H2*        G  40  59.416   4.942   6.835
  150   2HO*    G  40          2HO*        G  40  59.950   3.548   9.275
  151    H1*    G  40           H1*        G  40  59.564   2.190   7.275
  152    H8     G  40           H8         G  40  56.087   2.680   6.169
  153    H1     G  40           H1         G  40  60.307   2.981   1.350
  154   1H2     G  40          H22         G  40  62.338   3.242   2.139
  155   2H2     G  40          H21         G  40  62.669   3.302   3.861
  156   1H5*    A  41          1H5*        A  41  60.794   6.236   9.164
  157   2H5*    A  41          2H5*        A  41  60.973   7.974   9.465
  158    H4*    A  41           H4*        A  41  62.886   7.219   8.270
  159    H3*    A  41           H3*        A  41  61.043   8.918   6.607
  160    H2*    A  41           H2*        A  41  62.594   8.688   4.772
  161   2HO*    A  41          2HO*        A  41  64.273   7.411   6.705
  162    H1*    A  41           H1*        A  41  62.969   5.941   5.104
  163    H8     A  41           H8         A  41  59.376   6.487   5.873
  164   1H6     A  41          H62         A  41  58.336   6.590  -0.215
  165   2H6     A  41          H61         A  41  57.588   6.630   1.373
  166    H2     A  41           H2         A  41  62.763   6.726   0.428
  167   1H5*    G  42          1H5*        G  42  64.756  10.145   5.774
  168   2H5*    G  42          2H5*        G  42  64.960  11.879   6.090
  169    H4*    G  42           H4*        G  42  65.860  11.492   3.960
  170    H3*    G  42           H3*        G  42  63.146  12.783   3.747
  171    H2*    G  42           H2*        G  42  63.436  12.799   1.353
  172   2HO*    G  42          2HO*        G  42  66.094  11.908   1.924
  173    H1*    G  42           H1*        G  42  64.444  10.185   1.219
  174    H8     G  42           H8         G  42  61.785  10.015   3.771
  175    H1     G  42           H1         G  42  59.495  10.297  -2.215
  176   1H2     G  42          H22         G  42  61.092  10.837  -3.619
  177   2H2     G  42          H21         G  42  62.729  11.157  -3.067
  178   1H5*    G  43          1H5*        G  43  65.578  14.658   1.141
  179   2H5*    G  43          2H5*        G  43  65.565  16.417   1.369
  180    H4*    G  43           H4*        G  43  65.251  16.006  -0.934
  181    H3*    G  43           H3*        G  43  62.694  16.860   0.408
  182    H2*    G  43           H2*        G  43  61.614  16.752  -1.743
  183   2HO*    G  43          2HO*        G  43  64.264  16.377  -2.757
  184    H1*    G  43           H1*        G  43  62.861  14.343  -2.513
  185    H8     G  43           H8         G  43  61.984  13.890   1.050
  186    H1     G  43           H1         G  43  56.941  13.307  -2.876
  187   1H2     G  43          H22         G  43  57.449  14.059  -4.884
  188   2H2     G  43          H21         G  43  59.041  14.690  -5.257
  189    H3T    G  43           H3T        G  43  64.822  18.009  -0.912
  Start of MODEL    2
    1   1H5*    C  27          1H5*        C  27  49.464  12.251  -7.247
    2   2H5*    C  27          2H5*        C  27  49.721  10.695  -8.061
    3    H4*    C  27           H4*        C  27  51.343  12.113  -8.943
    4    H3*    C  27           H3*        C  27  52.543  10.296  -6.873
    5    H2*    C  27           H2*        C  27  54.678  11.347  -7.251
    6   2HO*    C  27          2HO*        C  27  55.077  12.093  -9.198
    7    H1*    C  27           H1*        C  27  53.697  13.957  -7.263
    8   1H4     C  27          H42         C  27  55.447  12.819  -1.246
    9   2H4     C  27          H41         C  27  53.819  12.281  -0.891
   10    H5     C  27           H5         C  27  52.118  12.022  -2.586
   11    H6     C  27           H6         C  27  51.623  12.238  -4.967
   12    H5T    C  27           H5T        C  27  49.791  11.258  -5.444
   13   1H5*    C  28          1H5*        C  28  55.082  10.275  -9.970
   14   2H5*    C  28          2H5*        C  28  55.411   8.647 -10.595
   15    H4*    C  28           H4*        C  28  57.505   9.641 -10.341
   16    H3*    C  28           H3*        C  28  56.983   7.779  -8.031
   17    H2*    C  28           H2*        C  28  59.183   8.333  -7.208
   18   2HO*    C  28          2HO*        C  28  60.675   8.876  -8.619
   19    H1*    C  28           H1*        C  28  58.910  11.078  -7.631
   20   1H4     C  28          H42         C  28  57.098  10.102  -1.615
   21   2H4     C  28          H41         C  28  55.436   9.936  -2.162
   22    H5     C  28           H5         C  28  54.824   9.859  -4.487
   23    H6     C  28           H6         C  28  55.659   9.979  -6.776
   24   1H5*    U  29          1H5*        U  29  60.730   7.061  -9.450
   25   2H5*    U  29          2H5*        U  29  61.042   5.339  -9.738
   26    H4*    U  29           H4*        U  29  62.865   6.222  -8.506
   27    H3*    U  29           H3*        U  29  61.115   4.441  -6.819
   28    H2*    U  29           H2*        U  29  62.628   4.828  -4.987
   29   2HO*    U  29          2HO*        U  29  64.653   5.359  -5.347
   30    H1*    U  29           H1*        U  29  62.857   7.576  -5.418
   31    H3     U  29           H3         U  29  60.368   6.731  -1.636
   32    H5     U  29           H5         U  29  57.662   6.978  -4.845
   33    H6     U  29           H6         U  29  59.545   6.898  -6.334
   34   1H5*    C  30          1H5*        C  30  65.038   3.612  -6.015
   35   2H5*    C  30          2H5*        C  30  65.363   1.872  -6.127
   36    H4*    C  30           H4*        C  30  66.279   2.718  -4.083
   37    H3*    C  30           H3*        C  30  63.910   0.904  -3.717
   38    H2*    C  30           H2*        C  30  64.133   1.188  -1.333
   39   2HO*    C  30          2HO*        C  30  66.034   1.661  -0.492
   40    H1*    C  30           H1*        C  30  64.531   3.950  -1.429
   41   1H4     C  30          H42         C  30  58.291   2.995  -0.561
   42   2H4     C  30          H41         C  30  58.047   3.055  -2.290
   43    H5     C  30           H5         C  30  59.877   3.190  -3.862
   44    H6     C  30           H6         C  30  62.302   3.320  -4.092
   45   1H5*    C  31          1H5*        C  31  66.685  -0.121  -0.990
   46   2H5*    C  31          2H5*        C  31  67.162  -1.825  -1.127
   47    H4*    C  31           H4*        C  31  66.781  -1.469   1.148
   48    H3*    C  31           H3*        C  31  64.459  -2.906  -0.109
   49    H2*    C  31           H2*        C  31  63.360  -2.928   2.029
   50   2HO*    C  31          2HO*        C  31  65.939  -2.754   2.891
   51    H1*    C  31           H1*        C  31  64.057  -0.292   2.720
   52   1H4     C  31          H42         C  31  58.186  -0.022   0.288
   53   2H4     C  31          H41         C  31  58.854   0.189  -1.317
   54    H5     C  31           H5         C  31  61.237   0.071  -1.764
   55    H6     C  31           H6         C  31  63.431  -0.324  -0.778
   56   1H5*    C  32          1H5*        C  32  64.714  -4.408   3.593
   57   2H5*    C  32          2H5*        C  32  64.740  -6.179   3.503
   58    H4*    C  32           H4*        C  32  62.942  -5.075   4.933
   59    H3*    C  32           H3*        C  32  62.431  -7.283   2.974
   60    H2*    C  32           H2*        C  32  60.068  -7.149   3.413
   61   2HO*    C  32          2HO*        C  32  60.519  -5.111   5.335
   62    H1*    C  32           H1*        C  32  59.901  -4.375   3.320
   63   1H4     C  32          H42         C  32  58.796  -6.239  -2.656
   64   2H4     C  32          H41         C  32  60.508  -6.132  -3.001
   65    H5     C  32           H5         C  32  62.167  -5.677  -1.297
   66    H6     C  32           H6         C  32  62.520  -5.243   1.077
   67   1H5*    U  33          1H5*        U  33  59.533  -8.529   5.557
   68   2H5*    U  33          2H5*        U  33  60.377  -9.860   6.374
   69    H4*    U  33           H4*        U  33  58.249 -10.675   5.830
   70    H3*    U  33           H3*        U  33  60.395 -11.761   4.049
   71    H2*    U  33           H2*        U  33  58.755 -12.937   2.738
   72   2HO*    U  33          2HO*        U  33  57.455 -13.518   4.619
   73    H1*    U  33           H1*        U  33  56.947 -10.836   2.549
   74    H3     U  33           H3         U  33  58.983 -11.077  -1.511
   75    H5     U  33           H5         U  33  61.575  -8.803   0.889
   76    H6     U  33           H6         U  33  60.205  -9.383   2.782
   77   1H5*  CM0  34          1H5*      CM0  34  58.098 -15.703   4.874
   78   2H5*  CM0  34          2H5*      CM0  34  59.466 -16.445   5.729
   79    H4*  CM0  34           H4*      CM0  34  60.226 -17.222   3.402
   80    H3*  CM0  34           H3*      CM0  34  57.470 -16.289   2.705
   81    H1*  CM0  34           H1*      CM0  34  58.103 -20.054   3.358
   82    H2*  CM0  34           H2*      CM0  34  57.065 -18.310   1.464
   83    H6   CM0  34           H6       CM0  34  56.916 -17.624   5.514
   84    H3   CM0  34           H3       CM0  34  53.471 -20.091   3.314
   85   1H7C  CM0  34          H7        CM0  34  55.364 -16.789   8.429
   86   2H7C  CM0  34          H8        CM0  34  55.577 -18.514   7.995
   87    HA   CM0  34          2HO*      CM0  34  59.874 -18.570   1.736
   88   1H5*    A  35          1H5*        A  35  56.278 -13.581   0.575
   89   2H5*    A  35          2H5*        A  35  56.492 -14.221   2.218
   90    H4*    A  35           H4*        A  35  54.303 -15.163   0.388
   91    H3*    A  35           H3*        A  35  54.288 -12.681   2.063
   92    H2*    A  35           H2*        A  35  52.080 -13.209   2.857
   93   2HO*    A  35          2HO*        A  35  50.774 -14.353   1.625
   94    H1*    A  35           H1*        A  35  52.567 -15.907   3.339
   95    H8     A  35           H8         A  35  55.783 -14.661   4.391
   96   1H6     A  35          H62         A  35  53.187 -12.423   9.547
   97   2H6     A  35          H61         A  35  54.696 -12.817   8.755
   98    H2     A  35           H2         A  35  49.906 -13.456   6.672
   99   1H5*    C  36          1H5*        C  36  50.407 -13.253  -0.602
  100   2H5*    C  36          2H5*        C  36  50.455 -11.649  -1.361
  101    H4*    C  36           H4*        C  36  48.191 -12.233  -0.823
  102    H3*    C  36           H3*        C  36  49.377  -9.944   0.697
  103    H2*    C  36           H2*        C  36  47.358  -9.723   1.987
  104   2HO*    C  36          2HO*        C  36  46.328 -11.567   0.067
  105    H1*    C  36           H1*        C  36  47.033 -12.433   2.506
  106   1H4     C  36          H42         C  36  50.596 -10.482   7.377
  107   2H4     C  36          H41         C  36  52.037 -10.562   6.388
  108    H5     C  36           H5         C  36  51.981 -11.073   4.021
  109    H6     C  36           H6         C  36  50.535 -11.603   2.130
  110    H2   6MZ  37           H2       6MZ  37  48.701  -5.963   9.271
  111    H8   6MZ  37           H8       6MZ  37  49.958  -8.554   3.534
  112    H1*  6MZ  37           H1*      6MZ  37  46.960  -8.563   5.282
  113   1H9C  6MZ  37          H72       6MZ  37  53.137  -5.646   7.848
  114   2H9C  6MZ  37          H73       6MZ  37  53.275  -6.628   6.367
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.486  -6.036   1.217
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.986  -7.694   1.605
  117    H4*  6MZ  37           H4*      6MZ  37  46.143  -7.196   2.027
  118    H3*  6MZ  37           H3*      6MZ  37  48.056  -5.377   3.420
  119    H2*  6MZ  37           H2*      6MZ  37  47.016  -5.825   5.544
  120    HA   6MZ  37          2HO*      6MZ  37  44.945  -6.560   3.900
  121    H6   6MZ  37           H62      6MZ  37  52.908  -8.103   8.325
  122    H9   6MZ  37           H71      6MZ  37  54.299  -6.991   7.777
  123   1H5*    A  38          1H5*        A  38  48.920  -2.168   1.961
  124   2H5*    A  38          2H5*        A  38  48.470  -3.877   2.071
  125    H4*    A  38           H4*        A  38  48.417  -3.227   4.675
  126    H3*    A  38           H3*        A  38  50.426  -1.305   3.511
  127    H2*    A  38           H2*        A  38  51.783  -1.744   5.460
  128   2HO*    A  38          2HO*        A  38  50.732  -3.353   7.013
  129    H1*    A  38           H1*        A  38  51.297  -4.527   5.431
  130    H8     A  38           H8         A  38  51.839  -3.820   1.895
  131   1H6     A  38          H62         A  38  57.919  -3.479   3.021
  132   2H6     A  38          H61         A  38  56.695  -3.591   1.776
  133    H2     A  38           H2         A  38  55.770  -3.413   6.954
  134   1H5*    G  39          1H5*        G  39  50.187  -0.383   7.197
  135   2H5*    G  39          2H5*        G  39  50.230   1.333   7.645
  136    H4*    G  39           H4*        G  39  52.083   0.184   8.648
  137    H3*    G  39           H3*        G  39  52.859   2.122   6.476
  138    H2*    G  39           H2*        G  39  55.167   1.573   6.929
  139   2HO*    G  39          2HO*        G  39  54.060   0.200   9.175
  140    H1*    G  39           H1*        G  39  54.732  -1.187   7.070
  141    H8     G  39           H8         G  39  52.506  -0.033   4.344
  142    H1     G  39           H1         G  39  58.673  -0.334   2.610
  143   1H2     G  39          H22         G  39  59.958  -0.539   4.378
  144   2H2     G  39          H21         G  39  59.282  -0.634   5.996
  145   1H5*    G  40          1H5*        G  40  55.377   2.754   9.587
  146   2H5*    G  40          2H5*        G  40  55.419   4.462  10.063
  147    H4*    G  40           H4*        G  40  57.654   3.735   9.858
  148    H3*    G  40           H3*        G  40  56.850   5.482   7.537
  149    H2*    G  40           H2*        G  40  59.108   5.271   6.720
  150   2HO*    G  40          2HO*        G  40  59.628   3.886   9.169
  151    H1*    G  40           H1*        G  40  59.269   2.517   7.180
  152    H8     G  40           H8         G  40  55.814   3.000   6.010
  153    H1     G  40           H1         G  40  60.112   3.239   1.257
  154   1H2     G  40          H22         G  40  62.134   3.488   2.075
  155   2H2     G  40          H21         G  40  62.438   3.567   3.802
  156   1H5*    A  41          1H5*        A  41  60.459   6.565   9.069
  157   2H5*    A  41          2H5*        A  41  60.642   8.308   9.330
  158    H4*    A  41           H4*        A  41  62.567   7.495   8.186
  159    H3*    A  41           H3*        A  41  60.784   9.210   6.475
  160    H2*    A  41           H2*        A  41  62.364   8.934   4.671
  161   2HO*    A  41          2HO*        A  41  63.983   7.689   6.670
  162    H1*    A  41           H1*        A  41  62.691   6.185   5.039
  163    H8     A  41           H8         A  41  59.088   6.794   5.723
  164   1H6     A  41          H62         A  41  58.196   6.835  -0.392
  165   2H6     A  41          H61         A  41  57.408   6.901   1.175
  166    H2     A  41           H2         A  41  62.605   6.921   0.357
  167   1H5*    G  42          1H5*        G  42  64.570  10.354   5.712
  168   2H5*    G  42          2H5*        G  42  64.785  12.092   5.999
  169    H4*    G  42           H4*        G  42  65.738  11.636   3.899
  170    H3*    G  42           H3*        G  42  63.067  12.999   3.601
  171    H2*    G  42           H2*        G  42  63.417  12.969   1.213
  172   2HO*    G  42          2HO*        G  42  66.029  11.999   1.864
  173    H1*    G  42           H1*        G  42  64.343  10.323   1.143
  174    H8     G  42           H8         G  42  61.632  10.274   3.646
  175    H1     G  42           H1         G  42  59.464  10.515  -2.386
  176   1H2     G  42          H22         G  42  61.100  10.991  -3.770
  177   2H2     G  42          H21         G  42  62.733  11.277  -3.193
  178   1H5*    G  43          1H5*        G  43  65.617  14.764   0.992
  179   2H5*    G  43          2H5*        G  43  65.630  16.526   1.206
  180    H4*    G  43           H4*        G  43  65.355  16.091  -1.102
  181    H3*    G  43           H3*        G  43  62.799  17.029   0.182
  182    H2*    G  43           H2*        G  43  61.754  16.922  -1.986
  183   2HO*    G  43          2HO*        G  43  64.403  16.441  -2.958
  184    H1*    G  43           H1*        G  43  62.944  14.469  -2.701
  185    H8     G  43           H8         G  43  62.009  14.100   0.859
  186    H1     G  43           H1         G  43  57.005  13.576  -3.127
  187   1H2     G  43          H22         G  43  57.558  14.286  -5.141
  188   2H2     G  43          H21         G  43  59.171  14.869  -5.500
  189    H3T    G  43           H3T        G  43  64.900  18.125  -1.288
  Start of MODEL    3
    1   1H5*    C  27          1H5*        C  27  49.551  11.538  -7.031
    2   2H5*    C  27          2H5*        C  27  49.842  10.001  -7.868
    3    H4*    C  27           H4*        C  27  51.417  11.474  -8.744
    4    H3*    C  27           H3*        C  27  52.683   9.660  -6.711
    5    H2*    C  27           H2*        C  27  54.785  10.773  -7.090
    6   2HO*    C  27          2HO*        C  27  55.149  11.557  -9.030
    7    H1*    C  27           H1*        C  27  53.739  13.355  -7.057
    8   1H4     C  27          H42         C  27  55.567  12.182  -1.072
    9   2H4     C  27          H41         C  27  53.956  11.598  -0.711
   10    H5     C  27           H5         C  27  52.248  11.315  -2.396
   11    H6     C  27           H6         C  27  51.729  11.551  -4.769
   12    H5T    C  27           H5T        C  27  50.922   9.246  -6.064
   13   1H5*    C  28          1H5*        C  28  55.202   9.754  -9.831
   14   2H5*    C  28          2H5*        C  28  55.570   8.142 -10.476
   15    H4*    C  28           H4*        C  28  57.636   9.193 -10.222
   16    H3*    C  28           H3*        C  28  57.184   7.284  -7.936
   17    H2*    C  28           H2*        C  28  59.372   7.887  -7.119
   18   2HO*    C  28          2HO*        C  28  60.839   8.487  -8.534
   19    H1*    C  28           H1*        C  28  59.021  10.630  -7.503
   20   1H4     C  28          H42         C  28  57.278   9.509  -1.489
   21   2H4     C  28          H41         C  28  55.617   9.309  -2.029
   22    H5     C  28           H5         C  28  54.993   9.254  -4.349
   23    H6     C  28           H6         C  28  55.809   9.430  -6.641
   24   1H5*    U  29          1H5*        U  29  60.944   6.678  -9.376
   25   2H5*    U  29          2H5*        U  29  61.289   4.969  -9.698
   26    H4*    U  29           H4*        U  29  63.100   5.854  -8.458
   27    H3*    U  29           H3*        U  29  61.380   4.033  -6.784
   28    H2*    U  29           H2*        U  29  62.903   4.411  -4.958
   29   2HO*    U  29          2HO*        U  29  64.917   4.972  -5.327
   30    H1*    U  29           H1*        U  29  63.089   7.168  -5.351
   31    H3     U  29           H3         U  29  60.636   6.231  -1.570
   32    H5     U  29           H5         U  29  57.904   6.471  -4.760
   33    H6     U  29           H6         U  29  59.781   6.453  -6.260
   34   1H5*    C  30          1H5*        C  30  65.317   3.238  -6.012
   35   2H5*    C  30          2H5*        C  30  65.659   1.503  -6.155
   36    H4*    C  30           H4*        C  30  66.580   2.324  -4.102
   37    H3*    C  30           H3*        C  30  64.230   0.481  -3.755
   38    H2*    C  30           H2*        C  30  64.461   0.727  -1.367
   39   2HO*    C  30          2HO*        C  30  66.363   1.192  -0.529
   40    H1*    C  30           H1*        C  30  64.832   3.493  -1.416
   41   1H4     C  30          H42         C  30  58.606   2.472  -0.543
   42   2H4     C  30          H41         C  30  58.355   2.564  -2.272
   43    H5     C  30           H5         C  30  60.178   2.736  -3.848
   44    H6     C  30           H6         C  30  62.599   2.888  -4.083
   45   1H5*    C  31          1H5*        C  31  67.045  -0.574  -1.038
   46   2H5*    C  31          2H5*        C  31  67.506  -2.279  -1.212
   47    H4*    C  31           H4*        C  31  67.139  -1.943   1.076
   48    H3*    C  31           H3*        C  31  64.843  -3.399  -0.203
   49    H2*    C  31           H2*        C  31  63.722  -3.450   1.921
   50   2HO*    C  31          2HO*        C  31  65.114  -2.358   3.709
   51    H1*    C  31           H1*        C  31  64.400  -0.823   2.664
   52   1H4     C  31          H42         C  31  58.533  -0.558   0.237
   53   2H4     C  31          H41         C  31  59.198  -0.313  -1.363
   54    H5     C  31           H5         C  31  61.580  -0.409  -1.815
   55    H6     C  31           H6         C  31  63.777  -0.803  -0.836
   56   1H5*    C  32          1H5*        C  32  65.272  -4.961   3.370
   57   2H5*    C  32          2H5*        C  32  64.833  -6.679   3.442
   58    H4*    C  32           H4*        C  32  63.375  -4.951   4.673
   59    H3*    C  32           H3*        C  32  62.375  -7.261   3.056
   60    H2*    C  32           H2*        C  32  60.102  -6.519   3.341
   61   2HO*    C  32          2HO*        C  32  59.556  -5.294   5.010
   62    H1*    C  32           H1*        C  32  60.580  -3.845   2.784
   63   1H4     C  32          H42         C  32  59.312  -6.427  -2.888
   64   2H4     C  32          H41         C  32  61.017  -6.746  -3.118
   65    H5     C  32           H5         C  32  62.669  -6.373  -1.388
   66    H6     C  32           H6         C  32  63.021  -5.619   0.905
   67   1H5*    U  33          1H5*        U  33  59.186  -7.272   5.363
   68   2H5*    U  33          2H5*        U  33  59.554  -8.577   6.508
   69    H4*    U  33           H4*        U  33  57.400  -9.060   5.869
   70    H3*    U  33           H3*        U  33  59.291 -10.715   4.236
   71    H2*    U  33           H2*        U  33  57.442 -11.609   2.986
   72   2HO*    U  33          2HO*        U  33  55.381 -10.256   4.102
   73    H1*    U  33           H1*        U  33  56.109  -9.180   2.648
   74    H3     U  33           H3         U  33  57.813  -9.955  -1.461
   75    H5     U  33           H5         U  33  61.104  -8.649   0.799
   76    H6     U  33           H6         U  33  59.702  -8.741   2.752
   77   1H5*  CM0  34          1H5*      CM0  34  57.230 -14.681   5.463
   78   2H5*  CM0  34          2H5*      CM0  34  58.677 -15.175   6.364
   79    H4*  CM0  34           H4*      CM0  34  59.643 -16.021   4.245
   80    H3*  CM0  34           H3*      CM0  34  57.058 -15.106   3.060
   81    H1*  CM0  34           H1*      CM0  34  57.528 -18.868   3.833
   82    H2*  CM0  34           H2*      CM0  34  56.871 -17.132   1.777
   83    H6   CM0  34           H6       CM0  34  56.063 -16.660   5.924
   84    H3   CM0  34           H3       CM0  34  52.954 -18.554   2.835
   85   1H7C  CM0  34          H7        CM0  34  53.920 -16.412   8.656
   86   2H7C  CM0  34          H8        CM0  34  53.630 -17.995   7.867
   87    HA   CM0  34          2HO*      CM0  34  58.621 -18.247   1.257
   88   1H5*    A  35          1H5*        A  35  56.047 -12.668   0.542
   89   2H5*    A  35          2H5*        A  35  55.969 -13.240   2.220
   90    H4*    A  35           H4*        A  35  54.344 -14.399  -0.036
   91    H3*    A  35           H3*        A  35  53.679 -12.072   1.731
   92    H2*    A  35           H2*        A  35  51.448 -12.922   2.037
   93   2HO*    A  35          2HO*        A  35  51.665 -15.232   0.599
   94    H1*    A  35           H1*        A  35  52.192 -15.567   2.479
   95    H8     A  35           H8         A  35  54.957 -13.985   4.188
   96   1H6     A  35          H62         A  35  51.157 -12.505   8.848
   97   2H6     A  35          H61         A  35  52.827 -12.631   8.344
   98    H2     A  35           H2         A  35  48.646 -13.768   5.353
   99   1H5*    C  36          1H5*        C  36  50.184 -12.552  -1.283
  100   2H5*    C  36          2H5*        C  36  50.391 -10.959  -2.035
  101    H4*    C  36           H4*        C  36  48.079 -11.280  -1.713
  102    H3*    C  36           H3*        C  36  49.284  -9.300   0.187
  103    H2*    C  36           H2*        C  36  47.145  -9.021   1.260
  104   2HO*    C  36          2HO*        C  36  46.234  -9.685  -1.132
  105    H1*    C  36           H1*        C  36  46.544 -11.729   1.417
  106   1H4     C  36          H42         C  36  49.633 -10.681   6.854
  107   2H4     C  36          H41         C  36  51.171 -10.688   6.021
  108    H5     C  36           H5         C  36  51.361 -10.864   3.613
  109    H6     C  36           H6         C  36  50.119 -11.066   1.523
  110    H2   6MZ  37           H2       6MZ  37  47.659  -5.850   8.994
  111    H8   6MZ  37           H8       6MZ  37  49.609  -7.976   3.260
  112    H1*  6MZ  37           H1*      6MZ  37  46.492  -8.366   4.680
  113   1H9C  6MZ  37          H72       6MZ  37  51.903  -5.425   9.018
  114   2H9C  6MZ  37          H73       6MZ  37  52.259  -5.010   7.323
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.000  -5.227   1.007
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.733  -6.801   1.373
  117    H4*  6MZ  37           H4*      6MZ  37  45.799  -6.689   1.553
  118    H3*  6MZ  37           H3*      6MZ  37  47.427  -4.893   3.296
  119    H2*  6MZ  37           H2*      6MZ  37  46.284  -5.682   5.264
  120    HA   6MZ  37          2HO*      6MZ  37  44.259  -6.273   5.000
  121    H6   6MZ  37           H62      6MZ  37  52.284  -7.479   7.642
  122    H9   6MZ  37           H71      6MZ  37  53.357  -6.078   8.227
  123   1H5*    A  38          1H5*        A  38  47.930  -1.413   2.055
  124   2H5*    A  38          2H5*        A  38  47.633  -3.156   1.915
  125    H4*    A  38           H4*        A  38  47.603  -2.424   4.673
  126    H3*    A  38           H3*        A  38  49.940  -1.253   3.196
  127    H2*    A  38           H2*        A  38  51.387  -2.044   4.953
  128   2HO*    A  38          2HO*        A  38  50.424  -3.042   6.829
  129    H1*    A  38           H1*        A  38  50.213  -4.575   5.146
  130    H8     A  38           H8         A  38  50.075  -4.338   1.575
  131   1H6     A  38          H62         A  38  56.222  -5.030   1.283
  132   2H6     A  38          H61         A  38  54.730  -5.056   0.371
  133    H2     A  38           H2         A  38  55.126  -4.081   5.528
  134   1H5*    G  39          1H5*        G  39  50.450  -0.647   6.950
  135   2H5*    G  39          2H5*        G  39  50.618   1.044   7.463
  136    H4*    G  39           H4*        G  39  52.328  -0.295   8.489
  137    H3*    G  39           H3*        G  39  53.339   1.646   6.420
  138    H2*    G  39           H2*        G  39  55.579   0.913   6.956
  139   2HO*    G  39          2HO*        G  39  54.296  -0.554   9.049
  140    H1*    G  39           H1*        G  39  54.942  -1.805   6.939
  141    H8     G  39           H8         G  39  52.866  -0.477   4.218
  142    H1     G  39           H1         G  39  59.059  -0.863   2.600
  143   1H2     G  39          H22         G  39  60.305  -1.137   4.367
  144   2H2     G  39          H21         G  39  59.614  -1.267   5.977
  145   1H5*    G  40          1H5*        G  40  55.730   2.086   9.491
  146   2H5*    G  40          2H5*        G  40  55.804   3.739  10.133
  147    H4*    G  40           H4*        G  40  58.025   3.082   9.896
  148    H3*    G  40           H3*        G  40  57.240   4.851   7.589
  149    H2*    G  40           H2*        G  40  59.493   4.639   6.761
  150   2HO*    G  40          2HO*        G  40  60.016   3.230   9.195
  151    H1*    G  40           H1*        G  40  59.652   1.883   7.185
  152    H8     G  40           H8         G  40  56.180   2.378   6.054
  153    H1     G  40           H1         G  40  60.439   2.687   1.271
  154   1H2     G  40          H22         G  40  62.462   2.951   2.079
  155   2H2     G  40          H21         G  40  62.779   3.009   3.804
  156   1H5*    A  41          1H5*        A  41  60.853   5.918   9.108
  157   2H5*    A  41          2H5*        A  41  61.025   7.656   9.412
  158    H4*    A  41           H4*        A  41  62.949   6.900   8.233
  159    H3*    A  41           H3*        A  41  61.122   8.614   6.566
  160    H2*    A  41           H2*        A  41  62.682   8.387   4.738
  161   2HO*    A  41          2HO*        A  41  64.350   7.108   6.679
  162    H1*    A  41           H1*        A  41  63.057   5.639   5.063
  163    H8     A  41           H8         A  41  59.456   6.186   5.801
  164   1H6     A  41          H62         A  41  58.479   6.285  -0.299
  165   2H6     A  41          H61         A  41  57.713   6.327   1.280
  166    H2     A  41           H2         A  41  62.897   6.429   0.390
  167   1H5*    G  42          1H5*        G  42  64.842   9.827   5.757
  168   2H5*    G  42          2H5*        G  42  65.054  11.559   6.077
  169    H4*    G  42           H4*        G  42  65.957  11.173   3.948
  170    H3*    G  42           H3*        G  42  63.246  12.471   3.723
  171    H2*    G  42           H2*        G  42  63.558  12.494   1.330
  172   2HO*    G  42          2HO*        G  42  66.204  11.574   1.914
  173    H1*    G  42           H1*        G  42  64.559   9.874   1.202
  174    H8     G  42           H8         G  42  61.875   9.709   3.727
  175    H1     G  42           H1         G  42  59.643   9.999  -2.280
  176   1H2     G  42          H22         G  42  61.251  10.540  -3.669
  177   2H2     G  42          H21         G  42  62.883  10.859  -3.105
  178   1H5*    G  43          1H5*        G  43  65.705  14.346   1.115
  179   2H5*    G  43          2H5*        G  43  65.682  16.104   1.358
  180    H4*    G  43           H4*        G  43  65.384  15.704  -0.952
  181    H3*    G  43           H3*        G  43  62.819  16.549   0.381
  182    H2*    G  43           H2*        G  43  61.754  16.454  -1.778
  183   2HO*    G  43          2HO*        G  43  64.411  16.083  -2.775
  184    H1*    G  43           H1*        G  43  63.002  14.047  -2.552
  185    H8     G  43           H8         G  43  62.113  13.587   1.008
  186    H1     G  43           H1         G  43  57.086  13.002  -2.941
  187   1H2     G  43          H22         G  43  57.602  13.760  -4.946
  188   2H2     G  43          H21         G  43  59.195  14.393  -5.311
  189    H3T    G  43           H3T        G  43  64.357  17.915  -1.504
  Start of MODEL    4
    1   1H5*    C  27          1H5*        C  27  48.907  12.060  -6.990
    2   2H5*    C  27          2H5*        C  27  49.187  10.533  -7.848
    3    H4*    C  27           H4*        C  27  50.759  12.013  -8.719
    4    H3*    C  27           H3*        C  27  52.038  10.174  -6.716
    5    H2*    C  27           H2*        C  27  54.141  11.284  -7.105
    6   2HO*    C  27          2HO*        C  27  54.484  12.089  -9.041
    7    H1*    C  27           H1*        C  27  53.099  13.868  -7.028
    8   1H4     C  27          H42         C  27  54.975  12.605  -1.074
    9   2H4     C  27          H41         C  27  53.363  12.026  -0.707
   10    H5     C  27           H5         C  27  51.640  11.778  -2.381
   11    H6     C  27           H6         C  27  51.101  12.047  -4.747
   12    H5T    C  27           H5T        C  27  48.960  10.239  -5.584
   13   1H5*    C  28          1H5*        C  28  54.516  10.286  -9.855
   14   2H5*    C  28          2H5*        C  28  54.870   8.683 -10.531
   15    H4*    C  28           H4*        C  28  56.944   9.721 -10.290
   16    H3*    C  28           H3*        C  28  56.511   7.786  -8.022
   17    H2*    C  28           H2*        C  28  58.709   8.371  -7.219
   18   2HO*    C  28          2HO*        C  28  60.164   8.979  -8.642
   19    H1*    C  28           H1*        C  28  58.366  11.119  -7.566
   20   1H4     C  28          H42         C  28  56.670   9.935  -1.550
   21   2H4     C  28          H41         C  28  55.006   9.748  -2.080
   22    H5     C  28           H5         C  28  54.361   9.723  -4.395
   23    H6     C  28           H6         C  28  55.157   9.925  -6.690
   24   1H5*    U  29          1H5*        U  29  60.256   7.192  -9.509
   25   2H5*    U  29          2H5*        U  29  60.592   5.485  -9.858
   26    H4*    U  29           H4*        U  29  62.420   6.346  -8.624
   27    H3*    U  29           H3*        U  29  60.707   4.511  -6.957
   28    H2*    U  29           H2*        U  29  62.249   4.861  -5.141
   29   2HO*    U  29          2HO*        U  29  64.262   5.417  -5.522
   30    H1*    U  29           H1*        U  29  62.445   7.622  -5.503
   31    H3     U  29           H3         U  29  60.026   6.653  -1.707
   32    H5     U  29           H5         U  29  57.263   6.931  -4.867
   33    H6     U  29           H6         U  29  59.124   6.925  -6.386
   34   1H5*    C  30          1H5*        C  30  64.645   3.690  -6.233
   35   2H5*    C  30          2H5*        C  30  64.980   1.956  -6.405
   36    H4*    C  30           H4*        C  30  65.923   2.741  -4.350
   37    H3*    C  30           H3*        C  30  63.565   0.908  -4.009
   38    H2*    C  30           H2*        C  30  63.817   1.116  -1.620
   39   2HO*    C  30          2HO*        C  30  65.729   1.555  -0.793
   40    H1*    C  30           H1*        C  30  64.205   3.881  -1.632
   41   1H4     C  30          H42         C  30  57.979   2.883  -0.720
   42   2H4     C  30          H41         C  30  57.714   3.002  -2.445
   43    H5     C  30           H5         C  30  59.525   3.187  -4.033
   44    H6     C  30           H6         C  30  61.946   3.328  -4.287
   45   1H5*    C  31          1H5*        C  31  66.377  -0.208  -1.343
   46   2H5*    C  31          2H5*        C  31  66.843  -1.908  -1.548
   47    H4*    C  31           H4*        C  31  66.490  -1.634   0.743
   48    H3*    C  31           H3*        C  31  64.144  -3.009  -0.539
   49    H2*    C  31           H2*        C  31  63.073  -3.108   1.613
   50   2HO*    C  31          2HO*        C  31  65.590  -2.194   2.625
   51    H1*    C  31           H1*        C  31  63.784  -0.502   2.388
   52   1H4     C  31          H42         C  31  57.895  -0.157   0.021
   53   2H4     C  31          H41         C  31  58.546   0.106  -1.584
   54    H5     C  31           H5         C  31  60.923   0.005  -2.058
   55    H6     C  31           H6         C  31  63.127  -0.418  -1.106
   56   1H5*    C  32          1H5*        C  32  65.288  -4.717   2.908
   57   2H5*    C  32          2H5*        C  32  65.315  -6.491   2.980
   58    H4*    C  32           H4*        C  32  64.019  -5.293   4.785
   59    H3*    C  32           H3*        C  32  62.907  -7.565   3.186
   60    H2*    C  32           H2*        C  32  60.774  -7.326   4.276
   61   2HO*    C  32          2HO*        C  32  62.256  -6.420   6.256
   62    H1*    C  32           H1*        C  32  60.634  -4.560   4.075
   63   1H4     C  32          H42         C  32  57.888  -6.622  -1.269
   64   2H4     C  32          H41         C  32  59.449  -6.670  -2.059
   65    H5     C  32           H5         C  32  61.527  -6.257  -0.889
   66    H6     C  32           H6         C  32  62.528  -5.712   1.269
   67   1H5*    U  33          1H5*        U  33  60.923  -8.802   6.787
   68   2H5*    U  33          2H5*        U  33  61.798 -10.325   7.039
   69    H4*    U  33           H4*        U  33  59.393 -10.660   7.049
   70    H3*    U  33           H3*        U  33  61.004 -12.005   4.914
   71    H2*    U  33           H2*        U  33  59.002 -12.883   3.911
   72   2HO*    U  33          2HO*        U  33  56.941 -12.354   5.042
   73    H1*    U  33           H1*        U  33  57.525 -10.531   4.055
   74    H3     U  33           H3         U  33  58.750 -10.970  -0.305
   75    H5     U  33           H5         U  33  62.038  -9.168   1.587
   76    H6     U  33           H6         U  33  60.954  -9.582   3.696
   77   1H5*  CM0  34          1H5*      CM0  34  58.549 -15.650   5.743
   78   2H5*  CM0  34          2H5*      CM0  34  59.867 -16.538   6.530
   79    H4*  CM0  34           H4*      CM0  34  60.507 -17.379   4.243
   80    H3*  CM0  34           H3*      CM0  34  57.980 -15.985   3.441
   81    H1*  CM0  34           H1*      CM0  34  58.004 -19.823   3.948
   82    H2*  CM0  34           H2*      CM0  34  57.355 -17.868   2.078
   83    H6   CM0  34           H6       CM0  34  57.010 -17.377   6.163
   84    H3   CM0  34           H3       CM0  34  53.429 -19.153   3.553
   85   1H7C  CM0  34          H7        CM0  34  55.442 -17.883   8.693
   86   2H7C  CM0  34          H8        CM0  34  53.667 -17.968   8.459
   87    HA   CM0  34          2HO*      CM0  34  59.327 -19.609   2.539
   88   1H5*    A  35          1H5*        A  35  57.022 -13.234   1.223
   89   2H5*    A  35          2H5*        A  35  57.155 -13.885   2.867
   90    H4*    A  35           H4*        A  35  55.061 -14.862   0.955
   91    H3*    A  35           H3*        A  35  54.957 -12.296   2.497
   92    H2*    A  35           H2*        A  35  52.705 -12.783   3.189
   93   2HO*    A  35          2HO*        A  35  52.755 -14.261   0.920
   94    H1*    A  35           H1*        A  35  53.160 -15.449   3.845
   95    H8     A  35           H8         A  35  56.312 -14.202   5.027
   96   1H6     A  35          H62         A  35  53.457 -11.563   9.844
   97   2H6     A  35          H61         A  35  55.002 -12.049   9.182
   98    H2     A  35           H2         A  35  50.337 -12.697   6.830
   99   1H5*    C  36          1H5*        C  36  51.172 -13.145   0.083
  100   2H5*    C  36          2H5*        C  36  51.450 -11.863  -1.112
  101    H4*    C  36           H4*        C  36  49.151 -11.891  -0.850
  102    H3*    C  36           H3*        C  36  50.356  -9.657   0.743
  103    H2*    C  36           H2*        C  36  48.186  -9.091   1.618
  104   2HO*    C  36          2HO*        C  36  47.247  -9.779  -0.595
  105    H1*    C  36           H1*        C  36  47.417 -11.696   2.209
  106   1H4     C  36          H42         C  36  50.278  -9.780   7.540
  107   2H4     C  36          H41         C  36  51.845 -10.144   6.854
  108    H5     C  36           H5         C  36  52.145 -10.858   4.560
  109    H6     C  36           H6         C  36  51.003 -11.364   2.464
  110    H2   6MZ  37           H2       6MZ  37  46.960  -5.391   8.445
  111    H8   6MZ  37           H8       6MZ  37  49.614  -8.238   3.341
  112    H1*  6MZ  37           H1*      6MZ  37  46.317  -8.291   4.239
  113   1H9C  6MZ  37          H72       6MZ  37  51.091  -5.567   9.383
  114   2H9C  6MZ  37          H73       6MZ  37  51.738  -5.074   7.796
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.601  -5.486   0.637
  116   2H5*  6MZ  37          2H5*      6MZ  37  49.235  -6.942   1.431
  117    H4*  6MZ  37           H4*      6MZ  37  46.314  -6.766   0.899
  118    H3*  6MZ  37           H3*      6MZ  37  47.675  -4.969   2.849
  119    H2*  6MZ  37           H2*      6MZ  37  46.138  -5.578   4.600
  120    HA   6MZ  37          2HO*      6MZ  37  44.171  -6.140   4.019
  121    H6   6MZ  37           H62      6MZ  37  51.582  -7.563   7.973
  122    H9   6MZ  37           H71      6MZ  37  52.623  -6.255   8.791
  123   1H5*    A  38          1H5*        A  38  48.624  -1.650   1.549
  124   2H5*    A  38          2H5*        A  38  48.220  -3.374   1.477
  125    H4*    A  38           H4*        A  38  47.745  -2.687   4.116
  126    H3*    A  38           H3*        A  38  50.142  -1.124   3.185
  127    H2*    A  38           H2*        A  38  51.263  -1.771   5.219
  128   2HO*    A  38          2HO*        A  38  48.677  -2.045   6.059
  129    H1*    A  38           H1*        A  38  50.402  -4.447   5.146
  130    H8     A  38           H8         A  38  51.167  -3.855   1.631
  131   1H6     A  38          H62         A  38  57.192  -4.336   2.982
  132   2H6     A  38          H61         A  38  56.010  -4.295   1.693
  133    H2     A  38           H2         A  38  54.928  -3.934   6.832
  134   1H5*    G  39          1H5*        G  39  49.885  -0.312   6.755
  135   2H5*    G  39          2H5*        G  39  50.044   1.362   7.321
  136    H4*    G  39           H4*        G  39  51.757   0.026   8.322
  137    H3*    G  39           H3*        G  39  52.767   1.985   6.274
  138    H2*    G  39           H2*        G  39  55.010   1.237   6.778
  139   2HO*    G  39          2HO*        G  39  53.738  -0.235   8.873
  140    H1*    G  39           H1*        G  39  54.368  -1.478   6.737
  141    H8     G  39           H8         G  39  52.264  -0.115   4.051
  142    H1     G  39           H1         G  39  58.441  -0.502   2.369
  143   1H2     G  39          H22         G  39  59.703  -0.799   4.123
  144   2H2     G  39          H21         G  39  59.025  -0.944   5.738
  145   1H5*    G  40          1H5*        G  40  55.177   2.386   9.338
  146   2H5*    G  40          2H5*        G  40  55.265   4.033   9.992
  147    H4*    G  40           H4*        G  40  57.481   3.360   9.730
  148    H3*    G  40           H3*        G  40  56.688   5.165   7.452
  149    H2*    G  40           H2*        G  40  58.935   4.949   6.606
  150   2HO*    G  40          2HO*        G  40  59.465   3.511   9.022
  151    H1*    G  40           H1*        G  40  59.080   2.187   6.994
  152    H8     G  40           H8         G  40  55.605   2.716   5.896
  153    H1     G  40           H1         G  40  59.828   3.066   1.082
  154   1H2     G  40          H22         G  40  61.859   3.298   1.876
  155   2H2     G  40          H21         G  40  62.193   3.329   3.598
  156   1H5*    A  41          1H5*        A  41  60.312   6.201   8.961
  157   2H5*    A  41          2H5*        A  41  60.492   7.935   9.290
  158    H4*    A  41           H4*        A  41  62.405   7.195   8.087
  159    H3*    A  41           H3*        A  41  60.568   8.927   6.448
  160    H2*    A  41           H2*        A  41  62.120   8.721   4.610
  161   2HO*    A  41          2HO*        A  41  63.794   7.448   6.550
  162    H1*    A  41           H1*        A  41  62.492   5.969   4.903
  163    H8     A  41           H8         A  41  58.898   6.508   5.670
  164   1H6     A  41          H62         A  41  57.877   6.691  -0.420
  165   2H6     A  41          H61         A  41  57.125   6.715   1.166
  166    H2     A  41           H2         A  41  62.304   6.819   0.239
  167   1H5*    G  42          1H5*        G  42  64.297  10.147   5.634
  168   2H5*    G  42          2H5*        G  42  64.501  11.878   5.967
  169    H4*    G  42           H4*        G  42  65.403  11.504   3.832
  170    H3*    G  42           H3*        G  42  62.698  12.818   3.635
  171    H2*    G  42           H2*        G  42  62.992  12.862   1.240
  172   2HO*    G  42          2HO*        G  42  65.648  11.978   1.833
  173    H1*    G  42           H1*        G  42  63.978  10.239   1.076
  174    H8     G  42           H8         G  42  61.315  10.061   3.625
  175    H1     G  42           H1         G  42  59.032  10.429  -2.358
  176   1H2     G  42          H22         G  42  60.630  10.974  -3.755
  177   2H2     G  42          H21         G  42  62.270  11.278  -3.201
  178   1H5*    G  43          1H5*        G  43  65.147  14.715   1.035
  179   2H5*    G  43          2H5*        G  43  65.131  16.470   1.292
  180    H4*    G  43           H4*        G  43  64.815  16.089  -1.018
  181    H3*    G  43           H3*        G  43  62.267  16.941   0.342
  182    H2*    G  43           H2*        G  43  61.177  16.863  -1.805
  183   2HO*    G  43          2HO*        G  43  63.816  16.470  -2.844
  184    H1*    G  43           H1*        G  43  62.412  14.458  -2.611
  185    H8     G  43           H8         G  43  61.548  13.965   0.950
  186    H1     G  43           H1         G  43  56.485  13.446  -2.960
  187   1H2     G  43          H22         G  43  56.986  14.224  -4.961
  188   2H2     G  43          H21         G  43  58.579  14.855  -5.333
  189    H3T    G  43           H3T        G  43  63.925  18.252  -1.501
  Start of MODEL    5
    1   1H5*    C  27          1H5*        C  27  49.305  12.107  -6.796
    2   2H5*    C  27          2H5*        C  27  49.687  10.474  -7.368
    3    H4*    C  27           H4*        C  27  51.240  12.019  -8.314
    4    H3*    C  27           H3*        C  27  52.438  10.174  -6.266
    5    H2*    C  27           H2*        C  27  54.575  11.216  -6.665
    6   2HO*    C  27          2HO*        C  27  54.946  11.967  -8.620
    7    H1*    C  27           H1*        C  27  53.597  13.830  -6.650
    8   1H4     C  27          H42         C  27  55.453  12.666  -0.670
    9   2H4     C  27          H41         C  27  53.833  12.127  -0.289
   10    H5     C  27           H5         C  27  52.103  11.873  -1.956
   11    H6     C  27           H6         C  27  51.564  12.105  -4.325
   12    H5T    C  27           H5T        C  27  51.041  10.559  -5.244
   13   1H5*    C  28          1H5*        C  28  54.940  10.161  -9.410
   14   2H5*    C  28          2H5*        C  28  55.256   8.532 -10.041
   15    H4*    C  28           H4*        C  28  57.353   9.531  -9.824
   16    H3*    C  28           H3*        C  28  56.881   7.662  -7.510
   17    H2*    C  28           H2*        C  28  59.100   8.216  -6.735
   18   2HO*    C  28          2HO*        C  28  60.559   8.786  -8.170
   19    H1*    C  28           H1*        C  28  58.808  10.961  -7.136
   20   1H4     C  28          H42         C  28  57.103   9.959  -1.093
   21   2H4     C  28          H41         C  28  55.434   9.791  -1.611
   22    H5     C  28           H5         C  28  54.781   9.723  -3.924
   23    H6     C  28           H6         C  28  55.576   9.851  -6.226
   24   1H5*    U  29          1H5*        U  29  60.589   6.948  -9.025
   25   2H5*    U  29          2H5*        U  29  60.914   5.229  -9.306
   26    H4*    U  29           H4*        U  29  62.752   6.152  -8.121
   27    H3*    U  29           H3*        U  29  61.075   4.337  -6.398
   28    H2*    U  29           H2*        U  29  62.607   4.755  -4.595
   29   2HO*    U  29          2HO*        U  29  64.615   5.329  -4.985
   30    H1*    U  29           H1*        U  29  62.780   7.506  -5.030
   31    H3     U  29           H3         U  29  60.379   6.602  -1.204
   32    H5     U  29           H5         U  29  57.611   6.831  -4.360
   33    H6     U  29           H6         U  29  59.467   6.776  -5.885
   34   1H5*    C  30          1H5*        C  30  65.038   3.596  -5.651
   35   2H5*    C  30          2H5*        C  30  65.390   1.861  -5.765
   36    H4*    C  30           H4*        C  30  66.319   2.734  -3.733
   37    H3*    C  30           H3*        C  30  63.996   0.869  -3.332
   38    H2*    C  30           H2*        C  30  64.253   1.158  -0.951
   39   2HO*    C  30          2HO*        C  30  66.150   1.685  -0.137
   40    H1*    C  30           H1*        C  30  64.570   3.928  -1.055
   41   1H4     C  30          H42         C  30  58.366   2.785  -0.124
   42   2H4     C  30          H41         C  30  58.106   2.842  -1.851
   43    H5     C  30           H5         C  30  59.914   3.043  -3.440
   44    H6     C  30           H6         C  30  62.332   3.238  -3.694
   45   1H5*    C  31          1H5*        C  31  66.819  -0.034  -0.636
   46   2H5*    C  31          2H5*        C  31  67.371  -1.714  -0.779
   47    H4*    C  31           H4*        C  31  67.023  -1.366   1.505
   48    H3*    C  31           H3*        C  31  64.772  -2.932   0.281
   49    H2*    C  31           H2*        C  31  63.661  -2.980   2.408
   50   2HO*    C  31          2HO*        C  31  64.740  -2.682   4.275
   51    H1*    C  31           H1*        C  31  64.252  -0.321   3.110
   52   1H4     C  31          H42         C  31  58.367  -0.240   0.712
   53   2H4     C  31          H41         C  31  59.018  -0.006  -0.896
   54    H5     C  31           H5         C  31  61.399  -0.049  -1.358
   55    H6     C  31           H6         C  31  63.611  -0.374  -0.387
   56   1H5*    C  32          1H5*        C  32  65.358  -4.581   3.562
   57   2H5*    C  32          2H5*        C  32  65.508  -6.347   3.637
   58    H4*    C  32           H4*        C  32  63.708  -5.490   5.057
   59    H3*    C  32           H3*        C  32  63.064  -7.414   2.859
   60    H2*    C  32           H2*        C  32  60.716  -7.251   3.360
   61   2HO*    C  32          2HO*        C  32  61.646  -6.668   5.791
   62    H1*    C  32           H1*        C  32  60.642  -4.486   3.595
   63   1H4     C  32          H42         C  32  59.479  -5.584  -2.558
   64   2H4     C  32          H41         C  32  61.193  -5.494  -2.896
   65    H5     C  32           H5         C  32  62.866  -5.301  -1.155
   66    H6     C  32           H6         C  32  63.232  -5.157   1.252
   67   1H5*    U  33          1H5*        U  33  60.402  -8.941   5.238
   68   2H5*    U  33          2H5*        U  33  61.084 -10.467   5.833
   69    H4*    U  33           H4*        U  33  58.894 -10.949   5.147
   70    H3*    U  33           H3*        U  33  60.966 -11.965   3.243
   71    H2*    U  33           H2*        U  33  59.253 -12.737   1.738
   72   2HO*    U  33          2HO*        U  33  57.148 -11.830   3.341
   73    H1*    U  33           H1*        U  33  57.687 -10.446   1.856
   74    H3     U  33           H3         U  33  59.862 -10.314  -2.148
   75    H5     U  33           H5         U  33  62.532  -8.642   0.630
   76    H6     U  33           H6         U  33  61.041  -9.357   2.378
   77   1H5*  CM0  34          1H5*      CM0  34  57.788 -15.368   3.750
   78   2H5*  CM0  34          2H5*      CM0  34  58.928 -16.456   4.564
   79    H4*  CM0  34           H4*      CM0  34  59.323 -17.462   2.243
   80    H3*  CM0  34           H3*      CM0  34  56.916 -15.792   1.613
   81    H1*  CM0  34           H1*      CM0  34  56.605 -19.601   2.277
   82    H2*  CM0  34           H2*      CM0  34  55.942 -17.630   0.408
   83    H6   CM0  34           H6       CM0  34  55.984 -16.795   4.294
   84    H3   CM0  34           H3       CM0  34  52.084 -18.808   2.416
   85   1H7C  CM0  34          H7        CM0  34  52.564 -16.871   6.755
   86   2H7C  CM0  34          H8        CM0  34  53.347 -15.347   7.275
   87    HA   CM0  34          2HO*      CM0  34  58.340 -19.104   0.859
   88   1H5*    A  35          1H5*        A  35  55.711 -13.332  -1.188
   89   2H5*    A  35          2H5*        A  35  56.035 -13.485   0.551
   90    H4*    A  35           H4*        A  35  53.738 -14.721  -0.962
   91    H3*    A  35           H3*        A  35  53.879 -12.234   0.699
   92    H2*    A  35           H2*        A  35  51.785 -12.779   1.745
   93   2HO*    A  35          2HO*        A  35  51.231 -15.153   0.579
   94    H1*    A  35           H1*        A  35  52.332 -15.479   2.157
   95    H8     A  35           H8         A  35  55.635 -14.138   2.836
   96   1H6     A  35          H62         A  35  53.587 -12.104   8.314
   97   2H6     A  35          H61         A  35  55.005 -12.414   7.337
   98    H2     A  35           H2         A  35  50.029 -13.244   5.834
   99   1H5*    C  36          1H5*        C  36  49.704 -12.739  -1.561
  100   2H5*    C  36          2H5*        C  36  49.778 -11.153  -2.357
  101    H4*    C  36           H4*        C  36  47.542 -11.522  -1.660
  102    H3*    C  36           H3*        C  36  48.999  -9.433  -0.084
  103    H2*    C  36           H2*        C  36  47.068  -9.133   1.324
  104   2HO*    C  36          2HO*        C  36  45.336  -9.287  -0.014
  105    H1*    C  36           H1*        C  36  46.571 -11.836   1.717
  106   1H4     C  36          H42         C  36  50.556 -10.464   6.456
  107   2H4     C  36          H41         C  36  51.920 -10.497   5.363
  108    H5     C  36           H5         C  36  51.683 -10.802   2.972
  109    H6     C  36           H6         C  36  50.093 -11.130   1.151
  110    H2   6MZ  37           H2       6MZ  37  47.876  -6.853   9.053
  111    H8   6MZ  37           H8       6MZ  37  49.463  -8.102   2.959
  112    H1*  6MZ  37           H1*      6MZ  37  46.315  -8.365   4.557
  113   1H9C  6MZ  37          H72       6MZ  37  53.486  -7.598   8.077
  114   2H9C  6MZ  37          H73       6MZ  37  52.113  -7.243   9.151
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.048  -5.446   0.782
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.572  -7.116   1.076
  117    H4*  6MZ  37           H4*      6MZ  37  45.715  -6.593   1.529
  118    H3*  6MZ  37           H3*      6MZ  37  47.736  -5.093   3.153
  119    H2*  6MZ  37           H2*      6MZ  37  46.545  -5.684   5.166
  120    HA   6MZ  37          2HO*      6MZ  37  44.612  -6.747   3.344
  121    H6   6MZ  37           H62      6MZ  37  52.291  -8.629   7.097
  122    H9   6MZ  37           H71      6MZ  37  52.429  -6.210   7.735
  123   1H5*    A  38          1H5*        A  38  48.996  -1.832   2.224
  124   2H5*    A  38          2H5*        A  38  48.433  -3.509   2.165
  125    H4*    A  38           H4*        A  38  48.165  -2.926   4.816
  126    H3*    A  38           H3*        A  38  50.530  -1.319   3.869
  127    H2*    A  38           H2*        A  38  51.683  -2.026   5.859
  128   2HO*    A  38          2HO*        A  38  50.560  -2.421   7.623
  129    H1*    A  38           H1*        A  38  50.710  -4.688   5.762
  130    H8     A  38           H8         A  38  51.646  -4.239   2.305
  131   1H6     A  38          H62         A  38  57.607  -4.727   3.914
  132   2H6     A  38          H61         A  38  56.476  -4.738   2.580
  133    H2     A  38           H2         A  38  55.204  -4.091   7.648
  134   1H5*    G  39          1H5*        G  39  50.354  -0.533   7.435
  135   2H5*    G  39          2H5*        G  39  50.429   1.151   7.993
  136    H4*    G  39           H4*        G  39  52.212  -0.053   9.004
  137    H3*    G  39           H3*        G  39  53.136   1.855   6.867
  138    H2*    G  39           H2*        G  39  55.407   1.214   7.397
  139   2HO*    G  39          2HO*        G  39  54.173  -0.180   9.568
  140    H1*    G  39           H1*        G  39  54.864  -1.522   7.454
  141    H8     G  39           H8         G  39  52.694  -0.328   4.736
  142    H1     G  39           H1         G  39  58.874  -0.535   3.027
  143   1H2     G  39          H22         G  39  60.155  -0.741   4.783
  144   2H2     G  39          H21         G  39  59.492  -0.869   6.404
  145   1H5*    G  40          1H5*        G  40  55.520   2.481   9.953
  146   2H5*    G  40          2H5*        G  40  55.565   4.164  10.509
  147    H4*    G  40           H4*        G  40  57.798   3.498  10.303
  148    H3*    G  40           H3*        G  40  56.995   5.227   7.971
  149    H2*    G  40           H2*        G  40  59.253   5.024   7.151
  150   2HO*    G  40          2HO*        G  40  59.784   3.650   9.601
  151    H1*    G  40           H1*        G  40  59.436   2.276   7.607
  152    H8     G  40           H8         G  40  55.963   2.684   6.479
  153    H1     G  40           H1         G  40  60.196   3.072   1.679
  154   1H2     G  40          H22         G  40  62.216   3.391   2.474
  155   2H2     G  40          H21         G  40  62.533   3.476   4.198
  156   1H5*    A  41          1H5*        A  41  60.603   6.337   9.486
  157   2H5*    A  41          2H5*        A  41  60.769   8.080   9.757
  158    H4*    A  41           H4*        A  41  62.696   7.298   8.594
  159    H3*    A  41           H3*        A  41  60.877   8.996   6.903
  160    H2*    A  41           H2*        A  41  62.451   8.752   5.088
  161   2HO*    A  41          2HO*        A  41  64.104   7.404   6.995
  162    H1*    A  41           H1*        A  41  62.805   6.006   5.432
  163    H8     A  41           H8         A  41  59.210   6.554   6.167
  164   1H6     A  41          H62         A  41  58.223   6.660   0.066
  165   2H6     A  41          H61         A  41  57.456   6.684   1.644
  166    H2     A  41           H2         A  41  62.642   6.804   0.748
  167   1H5*    G  42          1H5*        G  42  64.653  10.183   6.121
  168   2H5*    G  42          2H5*        G  42  64.849  11.922   6.417
  169    H4*    G  42           H4*        G  42  65.804  11.477   4.312
  170    H3*    G  42           H3*        G  42  63.134  12.843   4.046
  171    H2*    G  42           H2*        G  42  63.445  12.822   1.654
  172   2HO*    G  42          2HO*        G  42  66.067  11.842   2.243
  173    H1*    G  42           H1*        G  42  64.379  10.181   1.551
  174    H8     G  42           H8         G  42  61.707  10.108   4.093
  175    H1     G  42           H1         G  42  59.449  10.373  -1.904
  176   1H2     G  42          H22         G  42  61.068  10.865  -3.311
  177   2H2     G  42          H21         G  42  62.704  11.162  -2.748
  178   1H5*    G  43          1H5*        G  43  65.652  14.614   1.420
  179   2H5*    G  43          2H5*        G  43  65.674  16.375   1.633
  180    H4*    G  43           H4*        G  43  65.367  15.942  -0.670
  181    H3*    G  43           H3*        G  43  62.834  16.892   0.651
  182    H2*    G  43           H2*        G  43  61.755  16.789  -1.503
  183   2HO*    G  43          2HO*        G  43  64.389  16.293  -2.512
  184    H1*    G  43           H1*        G  43  62.925  14.330  -2.236
  185    H8     G  43           H8         G  43  62.041  13.962   1.335
  186    H1     G  43           H1         G  43  56.977  13.442  -2.573
  187   1H2     G  43          H22         G  43  57.496  14.155  -4.592
  188   2H2     G  43          H21         G  43  59.103  14.744  -4.979
  189    H3T    G  43           H3T        G  43  64.580  18.093  -1.191
  Start of MODEL    6
    1   1H5*    C  27          1H5*        C  27  49.041  12.014  -6.860
    2   2H5*    C  27          2H5*        C  27  49.332  10.478  -7.695
    3    H4*    C  27           H4*        C  27  50.900  11.959  -8.579
    4    H3*    C  27           H3*        C  27  52.177  10.138  -6.560
    5    H2*    C  27           H2*        C  27  54.278  11.250  -6.951
    6   2HO*    C  27          2HO*        C  27  54.628  12.047  -8.889
    7    H1*    C  27           H1*        C  27  53.230  13.833  -6.897
    8   1H4     C  27          H42         C  27  55.096  12.636  -0.928
    9   2H4     C  27          H41         C  27  53.488  12.053  -0.559
   10    H5     C  27           H5         C  27  51.770  11.776  -2.237
   11    H6     C  27           H6         C  27  51.237  12.022  -4.606
   12    H5T    C  27           H5T        C  27  49.617  11.138  -5.042
   13   1H5*    C  28          1H5*        C  28  54.670  10.241  -9.692
   14   2H5*    C  28          2H5*        C  28  55.034   8.633 -10.348
   15    H4*    C  28           H4*        C  28  57.102   9.683 -10.105
   16    H3*    C  28           H3*        C  28  56.668   7.765  -7.823
   17    H2*    C  28           H2*        C  28  58.862   8.365  -7.020
   18   2HO*    C  28          2HO*        C  28  60.317   8.969  -8.445
   19    H1*    C  28           H1*        C  28  58.506  11.109  -7.391
   20   1H4     C  28          H42         C  28  56.808   9.971  -1.368
   21   2H4     C  28          H41         C  28  55.146   9.767  -1.896
   22    H5     C  28           H5         C  28  54.504   9.718  -4.212
   23    H6     C  28           H6         C  28  55.302   9.903  -6.509
   24   1H5*    U  29          1H5*        U  29  60.418   7.172  -9.297
   25   2H5*    U  29          2H5*        U  29  60.766   5.463  -9.624
   26    H4*    U  29           H4*        U  29  62.582   6.357  -8.395
   27    H3*    U  29           H3*        U  29  60.885   4.524  -6.711
   28    H2*    U  29           H2*        U  29  62.422   4.908  -4.898
   29   2HO*    U  29          2HO*        U  29  64.430   5.488  -5.283
   30    H1*    U  29           H1*        U  29  62.587   7.664  -5.286
   31    H3     U  29           H3         U  29  60.168   6.698  -1.490
   32    H5     U  29           H5         U  29  57.412   6.933  -4.659
   33    H6     U  29           H6         U  29  59.278   6.930  -6.173
   34   1H5*    C  30          1H5*        C  30  64.834   3.753  -5.983
   35   2H5*    C  30          2H5*        C  30  65.190   2.022  -6.131
   36    H4*    C  30           H4*        C  30  66.127   2.853  -4.087
   37    H3*    C  30           H3*        C  30  63.803   0.982  -3.718
   38    H2*    C  30           H2*        C  30  64.051   1.230  -1.332
   39   2HO*    C  30          2HO*        C  30  65.954   1.715  -0.510
   40    H1*    C  30           H1*        C  30  64.391   4.001  -1.382
   41   1H4     C  30          H42         C  30  58.179   2.904  -0.461
   42   2H4     C  30          H41         C  30  57.917   2.999  -2.187
   43    H5     C  30           H5         C  30  59.725   3.197  -3.775
   44    H6     C  30           H6         C  30  62.143   3.377  -4.029
   45   1H5*    C  31          1H5*        C  31  66.663  -0.065  -1.030
   46   2H5*    C  31          2H5*        C  31  67.127  -1.768  -1.213
   47    H4*    C  31           H4*        C  31  66.778  -1.434   1.080
   48    H3*    C  31           H3*        C  31  64.483  -2.906  -0.185
   49    H2*    C  31           H2*        C  31  63.381  -2.973   1.948
   50   2HO*    C  31          2HO*        C  31  65.833  -3.060   2.859
   51    H1*    C  31           H1*        C  31  64.043  -0.340   2.691
   52   1H4     C  31          H42         C  31  58.154  -0.131   0.314
   53   2H4     C  31          H41         C  31  58.801   0.128  -1.292
   54    H5     C  31           H5         C  31  61.180   0.061  -1.762
   55    H6     C  31           H6         C  31  63.389  -0.311  -0.801
   56   1H5*    C  32          1H5*        C  32  64.954  -4.598   3.534
   57   2H5*    C  32          2H5*        C  32  64.903  -6.362   3.346
   58    H4*    C  32           H4*        C  32  63.214  -5.250   4.911
   59    H3*    C  32           H3*        C  32  62.566  -7.376   2.906
   60    H2*    C  32           H2*        C  32  60.221  -7.190   3.419
   61   2HO*    C  32          2HO*        C  32  61.228  -5.732   5.634
   62    H1*    C  32           H1*        C  32  60.121  -4.415   3.396
   63   1H4     C  32          H42         C  32  58.907  -6.073  -2.620
   64   2H4     C  32          H41         C  32  60.617  -6.013  -2.981
   65    H5     C  32           H5         C  32  62.308  -5.659  -1.282
   66    H6     C  32           H6         C  32  62.697  -5.295   1.099
   67   1H5*    U  33          1H5*        U  33  59.870  -8.884   6.014
   68   2H5*    U  33          2H5*        U  33  60.864 -10.279   6.477
   69    H4*    U  33           H4*        U  33  58.678 -11.087   6.211
   70    H3*    U  33           H3*        U  33  60.490 -11.860   3.958
   71    H2*    U  33           H2*        U  33  58.659 -12.921   2.814
   72   2HO*    U  33          2HO*        U  33  56.556 -12.457   4.332
   73    H1*    U  33           H1*        U  33  56.819 -10.878   3.221
   74    H3     U  33           H3         U  33  58.008 -10.406  -1.124
   75    H5     U  33           H5         U  33  61.144  -8.633   1.035
   76    H6     U  33           H6         U  33  60.139  -9.487   3.049
   77   1H5*  CM0  34          1H5*      CM0  34  58.523 -15.749   4.533
   78   2H5*  CM0  34          2H5*      CM0  34  59.807 -16.460   5.531
   79    H4*  CM0  34           H4*      CM0  34  60.637 -17.422   3.249
   80    H3*  CM0  34           H3*      CM0  34  57.822 -16.674   2.542
   81    H1*  CM0  34           H1*      CM0  34  58.723 -20.315   3.503
   82    H2*  CM0  34           H2*      CM0  34  57.512 -18.814   1.488
   83    H6   CM0  34           H6       CM0  34  57.220 -17.580   5.181
   84    H3   CM0  34           H3       CM0  34  54.213 -21.006   3.766
   85   1H7C  CM0  34          H7        CM0  34  54.471 -18.428   7.921
   86   2H7C  CM0  34          H8        CM0  34  54.275 -16.651   8.040
   87    HA   CM0  34          2HO*      CM0  34  59.593 -18.939   0.511
   88   1H5*    A  35          1H5*        A  35  56.933 -14.031   0.183
   89   2H5*    A  35          2H5*        A  35  56.967 -14.602   1.862
   90    H4*    A  35           H4*        A  35  54.737 -15.161  -0.084
   91    H3*    A  35           H3*        A  35  55.065 -12.838   1.773
   92    H2*    A  35           H2*        A  35  52.776 -13.046   2.486
   93   2HO*    A  35          2HO*        A  35  52.302 -13.818   0.118
   94    H1*    A  35           H1*        A  35  52.804 -15.803   2.808
   95    H8     A  35           H8         A  35  56.160 -15.261   3.956
   96   1H6     A  35          H62         A  35  53.968 -12.783   9.190
   97   2H6     A  35          H61         A  35  55.382 -13.439   8.395
   98    H2     A  35           H2         A  35  50.603 -12.994   6.233
   99   1H5*    C  36          1H5*        C  36  51.483 -12.220  -1.656
  100   2H5*    C  36          2H5*        C  36  51.695 -10.461  -1.756
  101    H4*    C  36           H4*        C  36  49.328 -11.277  -1.677
  102    H3*    C  36           H3*        C  36  50.369  -9.193   0.205
  103    H2*    C  36           H2*        C  36  48.244  -9.132   1.341
  104   2HO*    C  36          2HO*        C  36  47.238 -11.044  -0.508
  105    H1*    C  36           H1*        C  36  47.918 -11.882   1.509
  106   1H4     C  36          H42         C  36  51.077 -10.371   6.814
  107   2H4     C  36          H41         C  36  52.594 -10.552   5.966
  108    H5     C  36           H5         C  36  52.729 -10.961   3.581
  109    H6     C  36           H6         C  36  51.439 -11.275   1.536
  110    H2   6MZ  37           H2       6MZ  37  47.905  -6.432   9.044
  111    H8   6MZ  37           H8       6MZ  37  50.205  -7.898   3.232
  112    H1*  6MZ  37           H1*      6MZ  37  47.123  -8.759   4.553
  113   1H9C  6MZ  37          H72       6MZ  37  52.069  -5.549   9.266
  114   2H9C  6MZ  37          H73       6MZ  37  52.336  -4.865   7.643
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.215  -5.278   0.979
  116   2H5*  6MZ  37          2H5*      6MZ  37  49.239  -6.652   1.443
  117    H4*  6MZ  37           H4*      6MZ  37  46.295  -7.022   1.508
  118    H3*  6MZ  37           H3*      6MZ  37  47.676  -5.131   3.363
  119    H2*  6MZ  37           H2*      6MZ  37  46.607  -6.146   5.269
  120    HA   6MZ  37          2HO*      6MZ  37  44.829  -7.370   5.058
  121    H6   6MZ  37           H62      6MZ  37  52.718  -7.357   7.716
  122    H9   6MZ  37           H71      6MZ  37  53.593  -5.867   8.405
  123   1H5*    A  38          1H5*        A  38  47.772  -1.553   2.276
  124   2H5*    A  38          2H5*        A  38  47.731  -3.318   2.112
  125    H4*    A  38           H4*        A  38  47.491  -2.538   4.876
  126    H3*    A  38           H3*        A  38  49.784  -1.261   3.418
  127    H2*    A  38           H2*        A  38  51.242  -1.898   5.231
  128   2HO*    A  38          2HO*        A  38  49.697  -3.278   6.864
  129    H1*    A  38           H1*        A  38  50.262  -4.500   5.468
  130    H8     A  38           H8         A  38  50.127  -4.327   1.885
  131   1H6     A  38          H62         A  38  56.308  -4.636   1.644
  132   2H6     A  38          H61         A  38  54.828  -4.769   0.720
  133    H2     A  38           H2         A  38  55.124  -3.696   5.865
  134   1H5*    G  39          1H5*        G  39  50.126  -0.417   7.096
  135   2H5*    G  39          2H5*        G  39  50.264   1.284   7.585
  136    H4*    G  39           H4*        G  39  52.012  -0.015   8.609
  137    H3*    G  39           H3*        G  39  52.960   1.941   6.525
  138    H2*    G  39           H2*        G  39  55.221   1.261   7.043
  139   2HO*    G  39          2HO*        G  39  53.985  -0.214   9.159
  140    H1*    G  39           H1*        G  39  54.647  -1.471   7.038
  141    H8     G  39           H8         G  39  52.513  -0.196   4.334
  142    H1     G  39           H1         G  39  58.699  -0.445   2.663
  143   1H2     G  39          H22         G  39  59.965  -0.700   4.421
  144   2H2     G  39          H21         G  39  59.289  -0.849   6.034
  145   1H5*    G  40          1H5*        G  40  55.371   2.441   9.603
  146   2H5*    G  40          2H5*        G  40  55.419   4.104  10.219
  147    H4*    G  40           H4*        G  40  57.651   3.464   9.981
  148    H3*    G  40           H3*        G  40  56.834   5.227   7.681
  149    H2*    G  40           H2*        G  40  59.088   5.045   6.846
  150   2HO*    G  40          2HO*        G  40  59.636   3.637   9.274
  151    H1*    G  40           H1*        G  40  59.281   2.290   7.259
  152    H8     G  40           H8         G  40  55.799   2.741   6.151
  153    H1     G  40           H1         G  40  60.021   3.133   1.341
  154   1H2     G  40          H22         G  40  62.046   3.415   2.134
  155   2H2     G  40          H21         G  40  62.374   3.470   3.857
  156   1H5*    A  41          1H5*        A  41  60.444   6.333   9.189
  157   2H5*    A  41          2H5*        A  41  60.598   8.072   9.492
  158    H4*    A  41           H4*        A  41  62.524   7.331   8.305
  159    H3*    A  41           H3*        A  41  60.679   9.036   6.650
  160    H2*    A  41           H2*        A  41  62.236   8.828   4.816
  161   2HO*    A  41          2HO*        A  41  63.923   7.479   6.693
  162    H1*    A  41           H1*        A  41  62.631   6.081   5.130
  163    H8     A  41           H8         A  41  59.030   6.593   5.886
  164   1H6     A  41          H62         A  41  58.018   6.729  -0.207
  165   2H6     A  41          H61         A  41  57.263   6.750   1.378
  166    H2     A  41           H2         A  41  62.441   6.902   0.459
  167   1H5*    G  42          1H5*        G  42  64.408  10.276   5.833
  168   2H5*    G  42          2H5*        G  42  64.597  12.009   6.160
  169    H4*    G  42           H4*        G  42  65.512  11.635   4.032
  170    H3*    G  42           H3*        G  42  62.798  12.927   3.817
  171    H2*    G  42           H2*        G  42  63.098  12.958   1.423
  172   2HO*    G  42          2HO*        G  42  65.749  12.038   1.982
  173    H1*    G  42           H1*        G  42  64.104  10.344   1.275
  174    H8     G  42           H8         G  42  61.441  10.162   3.823
  175    H1     G  42           H1         G  42  59.159  10.464  -2.164
  176   1H2     G  42          H22         G  42  60.756  11.011  -3.565
  177   2H2     G  42          H21         G  42  62.391  11.336  -3.011
  178   1H5*    G  43          1H5*        G  43  65.247  14.818   1.203
  179   2H5*    G  43          2H5*        G  43  65.215  16.574   1.449
  180    H4*    G  43           H4*        G  43  64.912  16.173  -0.861
  181    H3*    G  43           H3*        G  43  62.353  17.019   0.483
  182    H2*    G  43           H2*        G  43  61.276  16.921  -1.671
  183   2HO*    G  43          2HO*        G  43  63.928  16.555  -2.681
  184    H1*    G  43           H1*        G  43  62.521  14.515  -2.450
  185    H8     G  43           H8         G  43  61.652  14.052   1.114
  186    H1     G  43           H1         G  43  56.604  13.469  -2.806
  187   1H2     G  43          H22         G  43  57.106  14.230  -4.812
  188   2H2     G  43          H21         G  43  58.697  14.865  -5.187
  189    H3T    G  43           H3T        G  43  63.974  18.345  -1.379
  Start of MODEL    7
    1   1H5*    C  27          1H5*        C  27  49.568  12.353  -6.919
    2   2H5*    C  27          2H5*        C  27  49.782  10.788  -7.725
    3    H4*    C  27           H4*        C  27  51.417  12.171  -8.641
    4    H3*    C  27           H3*        C  27  52.615  10.336  -6.586
    5    H2*    C  27           H2*        C  27  54.764  11.341  -7.007
    6   2HO*    C  27          2HO*        C  27  55.141  12.080  -8.965
    7    H1*    C  27           H1*        C  27  53.838  13.970  -7.008
    8   1H4     C  27          H42         C  27  55.658  12.822  -1.014
    9   2H4     C  27          H41         C  27  54.027  12.318  -0.633
   10    H5     C  27           H5         C  27  52.296  12.084  -2.301
   11    H6     C  27           H6         C  27  51.768  12.302  -4.674
   12    H5T    C  27           H5T        C  27  50.105  11.482  -5.085
   13   1H5*    C  28          1H5*        C  28  55.091  10.246  -9.727
   14   2H5*    C  28          2H5*        C  28  55.383   8.610 -10.349
   15    H4*    C  28           H4*        C  28  57.496   9.572 -10.135
   16    H3*    C  28           H3*        C  28  56.985   7.731  -7.806
   17    H2*    C  28           H2*        C  28  59.212   8.250  -7.032
   18   2HO*    C  28          2HO*        C  28  60.682   8.765  -8.475
   19    H1*    C  28           H1*        C  28  58.972  10.997  -7.455
   20   1H4     C  28          H42         C  28  57.252  10.074  -1.405
   21   2H4     C  28          H41         C  28  55.579   9.935  -1.921
   22    H5     C  28           H5         C  28  54.925   9.861  -4.233
   23    H6     C  28           H6         C  28  55.720   9.951  -6.537
   24   1H5*    U  29          1H5*        U  29  60.684   6.939  -9.306
   25   2H5*    U  29          2H5*        U  29  60.976   5.209  -9.576
   26    H4*    U  29           H4*        U  29  62.831   6.104  -8.396
   27    H3*    U  29           H3*        U  29  61.117   4.341  -6.656
   28    H2*    U  29           H2*        U  29  62.663   4.744  -4.859
   29   2HO*    U  29          2HO*        U  29  64.682   5.271  -5.263
   30    H1*    U  29           H1*        U  29  62.890   7.486  -5.319
   31    H3     U  29           H3         U  29  60.476   6.665  -1.483
   32    H5     U  29           H5         U  29  57.707   6.917  -4.638
   33    H6     U  29           H6         U  29  59.560   6.812  -6.165
   34   1H5*    C  30          1H5*        C  30  65.061   3.515  -5.912
   35   2H5*    C  30          2H5*        C  30  65.376   1.770  -6.013
   36    H4*    C  30           H4*        C  30  66.328   2.639  -3.991
   37    H3*    C  30           H3*        C  30  63.966   0.827  -3.572
   38    H2*    C  30           H2*        C  30  64.231   1.131  -1.193
   39   2HO*    C  30          2HO*        C  30  66.141   1.620  -0.387
   40    H1*    C  30           H1*        C  30  64.613   3.892  -1.318
   41   1H4     C  30          H42         C  30  58.384   2.918  -0.379
   42   2H4     C  30          H41         C  30  58.121   2.975  -2.105
   43    H5     C  30           H5         C  30  59.938   3.114  -3.694
   44    H6     C  30           H6         C  30  62.359   3.240  -3.948
   45   1H5*    C  31          1H5*        C  31  66.764  -0.125  -0.875
   46   2H5*    C  31          2H5*        C  31  67.283  -1.817  -1.003
   47    H4*    C  31           H4*        C  31  66.937  -1.451   1.275
   48    H3*    C  31           H3*        C  31  64.640  -2.959   0.061
   49    H2*    C  31           H2*        C  31  63.534  -2.965   2.193
   50   2HO*    C  31          2HO*        C  31  64.634  -2.721   4.046
   51    H1*    C  31           H1*        C  31  64.197  -0.318   2.874
   52   1H4     C  31          H42         C  31  58.315  -0.098   0.479
   53   2H4     C  31          H41         C  31  58.972   0.106  -1.131
   54    H5     C  31           H5         C  31  61.348  -0.006  -1.595
   55    H6     C  31           H6         C  31  63.552  -0.383  -0.622
   56   1H5*    C  32          1H5*        C  32  65.316  -4.544   3.374
   57   2H5*    C  32          2H5*        C  32  65.389  -6.309   3.542
   58    H4*    C  32           H4*        C  32  63.695  -5.332   4.990
   59    H3*    C  32           H3*        C  32  62.826  -7.246   2.860
   60    H2*    C  32           H2*        C  32  60.521  -6.917   3.463
   61   2HO*    C  32          2HO*        C  32  61.110  -5.077   5.489
   62    H1*    C  32           H1*        C  32  60.645  -4.149   3.654
   63   1H4     C  32          H42         C  32  59.099  -5.150  -2.421
   64   2H4     C  32          H41         C  32  60.788  -5.337  -2.834
   65    H5     C  32           H5         C  32  62.552  -5.367  -1.173
   66    H6     C  32           H6         C  32  63.049  -5.219   1.211
   67   1H5*    U  33          1H5*        U  33  60.127  -8.806   5.320
   68   2H5*    U  33          2H5*        U  33  60.968 -10.242   5.935
   69    H4*    U  33           H4*        U  33  58.888 -11.054   5.362
   70    H3*    U  33           H3*        U  33  60.852 -11.645   3.182
   71    H2*    U  33           H2*        U  33  59.102 -12.578   1.819
   72   2HO*    U  33          2HO*        U  33  56.874 -12.358   3.032
   73    H1*    U  33           H1*        U  33  57.250 -10.557   2.277
   74    H3     U  33           H3         U  33  58.843  -9.863  -1.929
   75    H5     U  33           H5         U  33  61.634  -8.037   0.624
   76    H6     U  33           H6         U  33  60.484  -9.049   2.480
   77   1H5*  CM0  34          1H5*      CM0  34  58.424 -15.629   3.692
   78   2H5*  CM0  34          2H5*      CM0  34  59.838 -16.528   4.275
   79    H4*  CM0  34           H4*      CM0  34  60.171 -17.146   1.791
   80    H3*  CM0  34           H3*      CM0  34  57.384 -16.060   1.664
   81    H1*  CM0  34           H1*      CM0  34  57.962 -19.881   1.901
   82    H2*  CM0  34           H2*      CM0  34  56.685 -17.955   0.355
   83    H6   CM0  34           H6       CM0  34  57.198 -17.518   4.349
   84    H3   CM0  34           H3       CM0  34  53.417 -19.908   2.680
   85   1H7C  CM0  34          H7        CM0  34  55.943 -16.810   7.632
   86   2H7C  CM0  34          H8        CM0  34  56.272 -18.463   7.027
   87    HA   CM0  34          2HO*      CM0  34  59.440 -18.725   0.331
   88   1H5*    A  35          1H5*        A  35  55.568 -13.400  -0.114
   89   2H5*    A  35          2H5*        A  35  56.233 -14.034   1.405
   90    H4*    A  35           H4*        A  35  53.915 -15.404   0.112
   91    H3*    A  35           H3*        A  35  53.726 -12.753   1.490
   92    H2*    A  35           H2*        A  35  51.822 -13.521   2.747
   93   2HO*    A  35          2HO*        A  35  51.508 -16.036   2.044
   94    H1*    A  35           H1*        A  35  52.886 -16.001   3.418
   95    H8     A  35           H8         A  35  55.972 -14.231   3.729
   96   1H6     A  35          H62         A  35  53.913 -11.493   8.887
   97   2H6     A  35          H61         A  35  55.324 -11.843   7.914
   98    H2     A  35           H2         A  35  50.400 -13.320   6.783
   99   1H5*    C  36          1H5*        C  36  49.151 -13.296  -0.655
  100   2H5*    C  36          2H5*        C  36  49.421 -11.679  -1.336
  101    H4*    C  36           H4*        C  36  47.203 -11.946  -0.311
  102    H3*    C  36           H3*        C  36  49.067  -9.836   0.712
  103    H2*    C  36           H2*        C  36  47.466  -9.215   2.397
  104   2HO*    C  36          2HO*        C  36  45.741 -10.879   0.856
  105    H1*    C  36           H1*        C  36  46.846 -11.806   3.188
  106   1H4     C  36          H42         C  36  51.690 -10.198   6.965
  107   2H4     C  36          H41         C  36  52.831 -10.670   5.724
  108    H5     C  36           H5         C  36  52.154 -11.353   3.503
  109    H6     C  36           H6         C  36  50.248 -11.726   2.025
  110    H2   6MZ  37           H2       6MZ  37  48.821  -5.952   9.580
  111    H8   6MZ  37           H8       6MZ  37  49.603  -7.928   3.523
  112    H1*  6MZ  37           H1*      6MZ  37  46.841  -8.478   5.639
  113   1H9C  6MZ  37          H72       6MZ  37  53.217  -6.925   5.986
  114   2H9C  6MZ  37          H73       6MZ  37  53.034  -7.751   7.553
  115   1H5*  6MZ  37          1H5*      6MZ  37  47.317  -5.566   1.443
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.350  -6.943   1.873
  117    H4*  6MZ  37           H4*      6MZ  37  45.486  -6.994   2.673
  118    H3*  6MZ  37           H3*      6MZ  37  47.457  -5.105   3.896
  119    H2*  6MZ  37           H2*      6MZ  37  46.747  -5.762   6.104
  120    HA   6MZ  37          2HO*      6MZ  37  44.694  -6.307   6.265
  121    H6   6MZ  37           H62      6MZ  37  52.930  -5.178   7.600
  122    H9   6MZ  37           H71      6MZ  37  54.261  -6.480   7.356
  123   1H5*    A  38          1H5*        A  38  47.812  -1.611   2.587
  124   2H5*    A  38          2H5*        A  38  47.640  -3.375   2.649
  125    H4*    A  38           H4*        A  38  47.723  -2.387   5.314
  126    H3*    A  38           H3*        A  38  49.841  -1.138   3.589
  127    H2*    A  38           H2*        A  38  51.448  -1.609   5.327
  128   2HO*    A  38          2HO*        A  38  49.111  -1.819   6.828
  129    H1*    A  38           H1*        A  38  50.569  -4.219   5.795
  130    H8     A  38           H8         A  38  50.214  -4.055   2.169
  131   1H6     A  38          H62         A  38  56.360  -4.628   1.661
  132   2H6     A  38          H61         A  38  54.839  -4.682   0.799
  133    H2     A  38           H2         A  38  55.397  -3.707   5.942
  134   1H5*    G  39          1H5*        G  39  50.258  -0.121   7.266
  135   2H5*    G  39          2H5*        G  39  50.425   1.593   7.692
  136    H4*    G  39           H4*        G  39  52.156   0.288   8.745
  137    H3*    G  39           H3*        G  39  53.123   2.183   6.612
  138    H2*    G  39           H2*        G  39  55.376   1.486   7.145
  139   2HO*    G  39          2HO*        G  39  54.109   0.110   9.306
  140    H1*    G  39           H1*        G  39  54.765  -1.238   7.202
  141    H8     G  39           H8         G  39  52.647   0.019   4.470
  142    H1     G  39           H1         G  39  58.826  -0.382   2.804
  143   1H2     G  39          H22         G  39  60.090  -0.617   4.570
  144   2H2     G  39          H21         G  39  59.409  -0.716   6.185
  145   1H5*    G  40          1H5*        G  40  55.526   2.732   9.692
  146   2H5*    G  40          2H5*        G  40  55.610   4.411  10.260
  147    H4*    G  40           H4*        G  40  57.827   3.702  10.047
  148    H3*    G  40           H3*        G  40  57.057   5.445   7.715
  149    H2*    G  40           H2*        G  40  59.305   5.195   6.888
  150   2HO*    G  40          2HO*        G  40  59.820   3.817   9.341
  151    H1*    G  40           H1*        G  40  59.437   2.444   7.354
  152    H8     G  40           H8         G  40  55.972   2.934   6.220
  153    H1     G  40           H1         G  40  60.222   3.164   1.425
  154   1H2     G  40          H22         G  40  62.250   3.436   2.220
  155   2H2     G  40          H21         G  40  62.567   3.525   3.945
  156   1H5*    A  41          1H5*        A  41  60.690   6.489   9.216
  157   2H5*    A  41          2H5*        A  41  60.890   8.231   9.472
  158    H4*    A  41           H4*        A  41  62.796   7.396   8.308
  159    H3*    A  41           H3*        A  41  61.012   9.127   6.614
  160    H2*    A  41           H2*        A  41  62.568   8.833   4.793
  161   2HO*    A  41          2HO*        A  41  64.206   7.473   6.706
  162    H1*    A  41           H1*        A  41  62.874   6.083   5.163
  163    H8     A  41           H8         A  41  59.287   6.718   5.886
  164   1H6     A  41          H62         A  41  58.317   6.774  -0.218
  165   2H6     A  41          H61         A  41  57.549   6.839   1.358
  166    H2     A  41           H2         A  41  62.737   6.828   0.474
  167   1H5*    G  42          1H5*        G  42  64.809  10.206   5.800
  168   2H5*    G  42          2H5*        G  42  65.056  11.940   6.089
  169    H4*    G  42           H4*        G  42  65.984  11.469   3.981
  170    H3*    G  42           H3*        G  42  63.340  12.887   3.717
  171    H2*    G  42           H2*        G  42  63.644  12.847   1.324
  172   2HO*    G  42          2HO*        G  42  66.251  11.828   1.914
  173    H1*    G  42           H1*        G  42  64.529  10.186   1.235
  174    H8     G  42           H8         G  42  61.853  10.186   3.779
  175    H1     G  42           H1         G  42  59.608  10.444  -2.224
  176   1H2     G  42          H22         G  42  61.237  10.890  -3.632
  177   2H2     G  42          H21         G  42  62.879  11.165  -3.067
  178   1H5*    G  43          1H5*        G  43  65.893  14.591   1.074
  179   2H5*    G  43          2H5*        G  43  65.948  16.354   1.273
  180    H4*    G  43           H4*        G  43  65.632  15.902  -1.026
  181    H3*    G  43           H3*        G  43  63.121  16.920   0.285
  182    H2*    G  43           H2*        G  43  62.039  16.817  -1.867
  183   2HO*    G  43          2HO*        G  43  64.660  16.261  -2.872
  184    H1*    G  43           H1*        G  43  63.159  14.329  -2.577
  185    H8     G  43           H8         G  43  62.265  14.013   0.996
  186    H1     G  43           H1         G  43  57.197  13.551  -2.914
  187   1H2     G  43          H22         G  43  57.736  14.239  -4.940
  188   2H2     G  43          H21         G  43  59.352  14.792  -5.329
  189    H3T    G  43           H3T        G  43  65.266  17.929  -1.164
  Start of MODEL    8
    1   1H5*    C  27          1H5*        C  27  49.722  11.391  -6.884
    2   2H5*    C  27          2H5*        C  27  50.015   9.861  -7.732
    3    H4*    C  27           H4*        C  27  51.582  11.345  -8.606
    4    H3*    C  27           H3*        C  27  52.865   9.529  -6.586
    5    H2*    C  27           H2*        C  27  54.960  10.652  -6.975
    6   2HO*    C  27          2HO*        C  27  55.306  11.445  -8.914
    7    H1*    C  27           H1*        C  27  53.901  13.228  -6.916
    8   1H4     C  27          H42         C  27  55.763  12.016  -0.949
    9   2H4     C  27          H41         C  27  54.156  11.428  -0.583
   10    H5     C  27           H5         C  27  52.438  11.156  -2.264
   11    H6     C  27           H6         C  27  51.907  11.406  -4.632
   12    H5T    C  27           H5T        C  27  50.089  10.363  -5.109
   13   1H5*    C  28          1H5*        C  28  55.355   9.642  -9.720
   14   2H5*    C  28          2H5*        C  28  55.723   8.038 -10.383
   15    H4*    C  28           H4*        C  28  57.789   9.092 -10.142
   16    H3*    C  28           H3*        C  28  57.363   7.168  -7.863
   17    H2*    C  28           H2*        C  28  59.554   7.776  -7.058
   18   2HO*    C  28          2HO*        C  28  61.009   8.391  -8.476
   19    H1*    C  28           H1*        C  28  59.191  10.519  -7.422
   20   1H4     C  28          H42         C  28  57.480   9.357  -1.405
   21   2H4     C  28          H41         C  28  55.819   9.158  -1.940
   22    H5     C  28           H5         C  28  55.184   9.113  -4.256
   23    H6     C  28           H6         C  28  55.988   9.304  -6.550
   24   1H5*    U  29          1H5*        U  29  61.119   6.591  -9.331
   25   2H5*    U  29          2H5*        U  29  61.465   4.885  -9.668
   26    H4*    U  29           H4*        U  29  63.282   5.764  -8.432
   27    H3*    U  29           H3*        U  29  61.573   3.930  -6.761
   28    H2*    U  29           H2*        U  29  63.106   4.298  -4.941
   29   2HO*    U  29          2HO*        U  29  65.117   4.862  -5.318
   30    H1*    U  29           H1*        U  29  63.286   7.056  -5.317
   31    H3     U  29           H3         U  29  60.854   6.094  -1.528
   32    H5     U  29           H5         U  29  58.106   6.341  -4.700
   33    H6     U  29           H6         U  29  59.974   6.337  -6.211
   34   1H5*    C  30          1H5*        C  30  65.513   3.130  -6.016
   35   2H5*    C  30          2H5*        C  30  65.856   1.397  -6.173
   36    H4*    C  30           H4*        C  30  66.786   2.202  -4.119
   37    H3*    C  30           H3*        C  30  64.438   0.357  -3.775
   38    H2*    C  30           H2*        C  30  64.676   0.585  -1.387
   39   2HO*    C  30          2HO*        C  30  66.581   1.040  -0.553
   40    H1*    C  30           H1*        C  30  65.048   3.352  -1.417
   41   1H4     C  30          H42         C  30  58.822   2.323  -0.533
   42   2H4     C  30          H41         C  30  58.568   2.434  -2.259
   43    H5     C  30           H5         C  30  60.385   2.617  -3.837
   44    H6     C  30           H6         C  30  62.806   2.770  -4.079
   45   1H5*    C  31          1H5*        C  31  67.268  -0.743  -1.076
   46   2H5*    C  31          2H5*        C  31  67.708  -2.452  -1.268
   47    H4*    C  31           H4*        C  31  67.350  -2.127   1.025
   48    H3*    C  31           H3*        C  31  65.042  -3.558  -0.262
   49    H2*    C  31           H2*        C  31  63.928  -3.621   1.865
   50   2HO*    C  31          2HO*        C  31  66.489  -2.839   2.849
   51    H1*    C  31           H1*        C  31  64.622  -1.003   2.627
   52   1H4     C  31          H42         C  31  58.749  -0.713   0.217
   53   2H4     C  31          H41         C  31  59.408  -0.454  -1.386
   54    H5     C  31           H5         C  31  61.790  -0.545  -1.841
   55    H6     C  31           H6         C  31  63.989  -0.951  -0.870
   56   1H5*    C  32          1H5*        C  32  65.550  -5.142   3.337
   57   2H5*    C  32          2H5*        C  32  65.066  -6.847   3.421
   58    H4*    C  32           H4*        C  32  63.694  -5.075   4.695
   59    H3*    C  32           H3*        C  32  62.580  -7.359   3.114
   60    H2*    C  32           H2*        C  32  60.340  -6.554   3.473
   61   2HO*    C  32          2HO*        C  32  59.930  -4.876   4.934
   62    H1*    C  32           H1*        C  32  60.876  -3.892   2.902
   63   1H4     C  32          H42         C  32  59.317  -6.434  -2.714
   64   2H4     C  32          H41         C  32  61.000  -6.813  -3.005
   65    H5     C  32           H5         C  32  62.728  -6.492  -1.338
   66    H6     C  32           H6         C  32  63.188  -5.746   0.939
   67   1H5*    U  33          1H5*        U  33  59.474  -7.377   5.713
   68   2H5*    U  33          2H5*        U  33  59.766  -8.873   6.622
   69    H4*    U  33           H4*        U  33  57.537  -8.953   5.867
   70    H3*    U  33           H3*        U  33  59.366 -10.804   4.388
   71    H2*    U  33           H2*        U  33  57.564 -11.469   2.940
   72   2HO*    U  33          2HO*        U  33  55.502 -10.029   3.648
   73    H1*    U  33           H1*        U  33  56.588  -8.909   2.473
   74    H3     U  33           H3         U  33  58.757  -9.862  -1.373
   75    H5     U  33           H5         U  33  61.817  -8.891   1.334
   76    H6     U  33           H6         U  33  60.155  -8.842   3.075
   77   1H5*  CM0  34          1H5*      CM0  34  56.621 -14.502   5.142
   78   2H5*  CM0  34          2H5*      CM0  34  57.963 -15.289   5.996
   79    H4*  CM0  34           H4*      CM0  34  58.901 -15.896   3.749
   80    H3*  CM0  34           H3*      CM0  34  56.377 -14.646   2.759
   81    H1*  CM0  34           H1*      CM0  34  56.527 -18.505   3.056
   82    H2*  CM0  34           H2*      CM0  34  55.981 -16.480   1.254
   83    H6   CM0  34           H6       CM0  34  55.348 -16.442   5.460
   84    H3   CM0  34           H3       CM0  34  51.974 -17.659   2.309
   85   1H7C  CM0  34          H7        CM0  34  52.303 -17.621   7.346
   86   2H7C  CM0  34          H8        CM0  34  52.343 -16.074   8.251
   87    HA   CM0  34          2HO*      CM0  34  57.654 -17.545   0.484
   88   1H5*    A  35          1H5*        A  35  55.432 -11.912   0.474
   89   2H5*    A  35          2H5*        A  35  55.562 -12.553   2.123
   90    H4*    A  35           H4*        A  35  53.592 -13.589   0.098
   91    H3*    A  35           H3*        A  35  53.271 -11.223   1.907
   92    H2*    A  35           H2*        A  35  51.060 -11.959   2.503
   93   2HO*    A  35          2HO*        A  35  51.236 -14.192   0.787
   94    H1*    A  35           H1*        A  35  51.716 -14.648   2.840
   95    H8     A  35           H8         A  35  54.724 -13.184   4.230
   96   1H6     A  35          H62         A  35  51.542 -11.650   9.314
   97   2H6     A  35          H61         A  35  53.137 -11.822   8.618
   98    H2     A  35           H2         A  35  48.603 -12.775   6.121
   99   1H5*    C  36          1H5*        C  36  49.795 -12.182  -0.844
  100   2H5*    C  36          2H5*        C  36  49.737 -10.679  -1.786
  101    H4*    C  36           H4*        C  36  47.513 -11.363  -1.527
  102    H3*    C  36           H3*        C  36  48.220  -9.057   0.245
  103    H2*    C  36           H2*        C  36  46.029  -9.111   1.237
  104   2HO*    C  36          2HO*        C  36  45.079  -9.697  -0.933
  105    H1*    C  36           H1*        C  36  45.912 -11.868   1.574
  106   1H4     C  36          H42         C  36  48.507  -9.934   7.025
  107   2H4     C  36          H41         C  36  50.065  -9.746   6.253
  108    H5     C  36           H5         C  36  50.400 -10.052   3.874
  109    H6     C  36           H6         C  36  49.309 -10.597   1.760
  110    H2   6MZ  37           H2       6MZ  37  47.423  -5.245   8.839
  111    H8   6MZ  37           H8       6MZ  37  48.344  -7.888   3.063
  112    H1*  6MZ  37           H1*      6MZ  37  45.295  -7.467   4.784
  113   1H9C  6MZ  37          H72       6MZ  37  52.782  -7.298   7.222
  114   2H9C  6MZ  37          H73       6MZ  37  51.367  -8.168   6.585
  115   1H5*  6MZ  37          1H5*      6MZ  37  47.137  -5.190   0.540
  116   2H5*  6MZ  37          2H5*      6MZ  37  47.744  -6.686   1.275
  117    H4*  6MZ  37           H4*      6MZ  37  44.868  -5.915   1.556
  118    H3*  6MZ  37           H3*      6MZ  37  47.116  -4.594   3.022
  119    H2*  6MZ  37           H2*      6MZ  37  45.908  -4.805   5.099
  120    HA   6MZ  37          2HO*      6MZ  37  43.788  -4.608   4.785
  121    H6   6MZ  37           H62      6MZ  37  51.814  -5.718   7.040
  122    H9   6MZ  37           H71      6MZ  37  51.469  -7.784   8.322
  123   1H5*    A  38          1H5*        A  38  48.747  -1.704   1.611
  124   2H5*    A  38          2H5*        A  38  47.866  -3.239   1.680
  125    H4*    A  38           H4*        A  38  47.972  -2.652   4.301
  126    H3*    A  38           H3*        A  38  50.411  -1.296   3.167
  127    H2*    A  38           H2*        A  38  51.644  -2.150   5.049
  128   2HO*    A  38          2HO*        A  38  50.344  -3.365   6.682
  129    H1*    A  38           H1*        A  38  50.396  -4.693   5.019
  130    H8     A  38           H8         A  38  51.092  -4.156   1.482
  131   1H6     A  38          H62         A  38  57.038  -5.505   2.574
  132   2H6     A  38          H61         A  38  55.823  -5.278   1.337
  133    H2     A  38           H2         A  38  55.011  -4.842   6.520
  134   1H5*    G  39          1H5*        G  39  50.683  -0.851   6.968
  135   2H5*    G  39          2H5*        G  39  50.864   0.836   7.486
  136    H4*    G  39           H4*        G  39  52.576  -0.520   8.489
  137    H3*    G  39           H3*        G  39  53.580   1.437   6.432
  138    H2*    G  39           H2*        G  39  55.822   0.696   6.961
  139   2HO*    G  39          2HO*        G  39  54.515  -0.733   9.063
  140    H1*    G  39           H1*        G  39  55.176  -2.021   6.915
  141    H8     G  39           H8         G  39  53.099  -0.659   4.212
  142    H1     G  39           H1         G  39  59.291  -1.033   2.587
  143   1H2     G  39          H22         G  39  60.538  -1.319   4.352
  144   2H2     G  39          H21         G  39  59.850  -1.467   5.960
  145   1H5*    G  40          1H5*        G  40  55.969   1.866   9.507
  146   2H5*    G  40          2H5*        G  40  56.045   3.517  10.156
  147    H4*    G  40           H4*        G  40  58.267   2.857   9.916
  148    H3*    G  40           H3*        G  40  57.478   4.644   7.623
  149    H2*    G  40           H2*        G  40  59.730   4.436   6.788
  150   2HO*    G  40          2HO*        G  40  60.257   3.015   9.215
  151    H1*    G  40           H1*        G  40  59.890   1.677   7.192
  152    H8     G  40           H8         G  40  56.416   2.175   6.075
  153    H1     G  40           H1         G  40  60.659   2.523   1.279
  154   1H2     G  40          H22         G  40  62.684   2.781   2.081
  155   2H2     G  40          H21         G  40  63.009   2.825   3.805
  156   1H5*    A  41          1H5*        A  41  61.092   5.706   9.144
  157   2H5*    A  41          2H5*        A  41  61.261   7.443   9.462
  158    H4*    A  41           H4*        A  41  63.183   6.706   8.272
  159    H3*    A  41           H3*        A  41  61.345   8.417   6.616
  160    H2*    A  41           H2*        A  41  62.905   8.209   4.786
  161   2HO*    A  41          2HO*        A  41  64.580   6.923   6.717
  162    H1*    A  41           H1*        A  41  63.291   5.461   5.095
  163    H8     A  41           H8         A  41  59.689   5.989   5.843
  164   1H6     A  41          H62         A  41  58.698   6.128  -0.251
  165   2H6     A  41          H61         A  41  57.938   6.158   1.331
  166    H2     A  41           H2         A  41  63.120   6.283   0.426
  167   1H5*    G  42          1H5*        G  42  65.072   9.650   5.805
  168   2H5*    G  42          2H5*        G  42  65.266  11.383   6.136
  169    H4*    G  42           H4*        G  42  66.179  11.011   4.007
  170    H3*    G  42           H3*        G  42  63.467  12.306   3.792
  171    H2*    G  42           H2*        G  42  63.769  12.341   1.398
  172   2HO*    G  42          2HO*        G  42  66.421  11.424   1.964
  173    H1*    G  42           H1*        G  42  64.775   9.726   1.248
  174    H8     G  42           H8         G  42  62.105   9.539   3.789
  175    H1     G  42           H1         G  42  59.841   9.860  -2.205
  176   1H2     G  42          H22         G  42  61.440  10.410  -3.599
  177   2H2     G  42          H21         G  42  63.075  10.729  -3.039
  178   1H5*    G  43          1H5*        G  43  65.912  14.205   1.192
  179   2H5*    G  43          2H5*        G  43  65.884  15.960   1.440
  180    H4*    G  43           H4*        G  43  65.579  15.566  -0.870
  181    H3*    G  43           H3*        G  43  63.020  16.406   0.476
  182    H2*    G  43           H2*        G  43  61.941  16.312  -1.675
  183   2HO*    G  43          2HO*        G  43  64.602  15.988  -2.673
  184    H1*    G  43           H1*        G  43  63.192  13.912  -2.465
  185    H8     G  43           H8         G  43  62.318  13.431   1.095
  186    H1     G  43           H1         G  43  57.276  12.859  -2.835
  187   1H2     G  43          H22         G  43  57.780  13.627  -4.837
  188   2H2     G  43          H21         G  43  59.371  14.267  -5.206
  189    H3T    G  43           H3T        G  43  65.006  17.713   0.085
  Start of MODEL    9
    1   1H5*    C  27          1H5*        C  27  49.240  12.008  -7.441
    2   2H5*    C  27          2H5*        C  27  49.500  10.479  -8.299
    3    H4*    C  27           H4*        C  27  51.086  11.942  -9.174
    4    H3*    C  27           H3*        C  27  52.347  10.082  -7.179
    5    H2*    C  27           H2*        C  27  54.463  11.167  -7.571
    6   2HO*    C  27          2HO*        C  27  54.812  11.972  -9.506
    7    H1*    C  27           H1*        C  27  53.455  13.764  -7.484
    8   1H4     C  27          H42         C  27  55.333  12.454  -1.540
    9   2H4     C  27          H41         C  27  53.715  11.896  -1.170
   10    H5     C  27           H5         C  27  51.983  11.676  -2.840
   11    H6     C  27           H6         C  27  51.440  11.961  -5.203
   12    H5T    C  27           H5T        C  27  50.090   9.566  -6.498
   13   1H5*    C  28          1H5*        C  28  54.822  10.172 -10.323
   14   2H5*    C  28          2H5*        C  28  55.157   8.567 -11.000
   15    H4*    C  28           H4*        C  28  57.242   9.579 -10.760
   16    H3*    C  28           H3*        C  28  56.793   7.643  -8.496
   17    H2*    C  28           H2*        C  28  58.998   8.204  -7.697
   18   2HO*    C  28          2HO*        C  28  60.457   8.804  -9.118
   19    H1*    C  28           H1*        C  28  58.684  10.957  -8.036
   20   1H4     C  28          H42         C  28  56.991   9.763  -2.018
   21   2H4     C  28          H41         C  28  55.324   9.601  -2.547
   22    H5     C  28           H5         C  28  54.672   9.594  -4.857
   23    H6     C  28           H6         C  28  55.466   9.797  -7.155
   24   1H5*    U  29          1H5*        U  29  60.536   7.002  -9.974
   25   2H5*    U  29          2H5*        U  29  60.836   5.292 -10.335
   26    H4*    U  29           H4*        U  29  62.679   6.097  -9.091
   27    H3*    U  29           H3*        U  29  60.914   4.304  -7.431
   28    H2*    U  29           H2*        U  29  62.471   4.602  -5.617
   29   2HO*    U  29          2HO*        U  29  64.499   5.104  -6.004
   30    H1*    U  29           H1*        U  29  62.735   7.357  -5.964
   31    H3     U  29           H3         U  29  60.286   6.428  -2.175
   32    H5     U  29           H5         U  29  57.536   6.788  -5.334
   33    H6     U  29           H6         U  29  59.396   6.753  -6.852
   34   1H5*    C  30          1H5*        C  30  64.825   3.362  -6.731
   35   2H5*    C  30          2H5*        C  30  65.115   1.621  -6.915
   36    H4*    C  30           H4*        C  30  66.089   2.364  -4.862
   37    H3*    C  30           H3*        C  30  63.680   0.603  -4.513
   38    H2*    C  30           H2*        C  30  63.950   0.794  -2.125
   39   2HO*    C  30          2HO*        C  30  65.885   1.147  -1.317
   40    H1*    C  30           H1*        C  30  64.424   3.545  -2.129
   41   1H4     C  30          H42         C  30  58.180   2.757  -1.181
   42   2H4     C  30          H41         C  30  57.905   2.889  -2.903
   43    H5     C  30           H5         C  30  59.711   3.013  -4.504
   44    H6     C  30           H6         C  30  62.133   3.073  -4.772
   45   1H5*    C  31          1H5*        C  31  66.495  -0.649  -1.865
   46   2H5*    C  31          2H5*        C  31  66.866  -2.370  -2.083
   47    H4*    C  31           H4*        C  31  66.543  -2.067   0.217
   48    H3*    C  31           H3*        C  31  64.152  -3.369  -1.059
   49    H2*    C  31           H2*        C  31  63.075  -3.420   1.090
   50   2HO*    C  31          2HO*        C  31  64.728  -2.315   2.774
   51    H1*    C  31           H1*        C  31  63.893  -0.843   1.871
   52   1H4     C  31          H42         C  31  57.999  -0.277  -0.442
   53   2H4     C  31          H41         C  31  58.645  -0.032  -2.051
   54    H5     C  31           H5         C  31  61.013  -0.217  -2.547
   55    H6     C  31           H6         C  31  63.209  -0.721  -1.615
   56   1H5*    C  32          1H5*        C  32  65.898  -5.475   2.435
   57   2H5*    C  32          2H5*        C  32  65.486  -7.200   2.454
   58    H4*    C  32           H4*        C  32  64.934  -5.783   4.512
   59    H3*    C  32           H3*        C  32  63.095  -7.779   3.247
   60    H2*    C  32           H2*        C  32  61.341  -7.173   4.780
   61   2HO*    C  32          2HO*        C  32  62.709  -6.928   6.633
   62    H1*    C  32           H1*        C  32  61.673  -4.424   4.551
   63   1H4     C  32          H42         C  32  57.471  -5.797  -0.005
   64   2H4     C  32          H41         C  32  58.771  -6.204  -1.101
   65    H5     C  32           H5         C  32  61.095  -6.269  -0.419
   66    H6     C  32           H6         C  32  62.635  -5.962   1.447
   67   1H5*    U  33          1H5*        U  33  62.210  -8.760   7.644
   68   2H5*    U  33          2H5*        U  33  62.661 -10.470   7.495
   69    H4*    U  33           H4*        U  33  60.428 -10.129   8.464
   70    H3*    U  33           H3*        U  33  60.740 -11.727   5.952
   71    H2*    U  33           H2*        U  33  58.355 -12.010   5.807
   72   2HO*    U  33          2HO*        U  33  58.528 -11.227   8.497
   73    H1*    U  33           H1*        U  33  57.699  -9.368   6.375
   74    H3     U  33           H3         U  33  57.025  -9.742   1.910
   75    H5     U  33           H5         U  33  61.173  -9.228   2.326
   76    H6     U  33           H6         U  33  60.885  -9.457   4.704
   77   1H5*  CM0  34          1H5*      CM0  34  58.234 -14.603   6.819
   78   2H5*  CM0  34          2H5*      CM0  34  59.322 -15.789   7.568
   79    H4*  CM0  34           H4*      CM0  34  59.689 -16.659   5.185
   80    H3*  CM0  34           H3*      CM0  34  57.371 -14.840   4.661
   81    H1*  CM0  34           H1*      CM0  34  56.805 -18.652   5.122
   82    H2*  CM0  34           H2*      CM0  34  56.279 -16.549   3.371
   83    H6   CM0  34           H6       CM0  34  56.439 -16.337   7.570
   84    H3   CM0  34           H3       CM0  34  52.392 -17.100   5.158
   85   1H7C  CM0  34          H7        CM0  34  54.987 -16.011  10.671
   86   2H7C  CM0  34          H8        CM0  34  53.795 -17.113   9.912
   87    HA   CM0  34          2HO*      CM0  34  57.368 -18.328   2.635
   88   1H5*    A  35          1H5*        A  35  56.270 -11.928   2.393
   89   2H5*    A  35          2H5*        A  35  56.443 -12.665   3.997
   90    H4*    A  35           H4*        A  35  54.530 -13.755   1.961
   91    H3*    A  35           H3*        A  35  54.099 -11.310   3.619
   92    H2*    A  35           H2*        A  35  51.935 -12.088   4.318
   93   2HO*    A  35          2HO*        A  35  51.870 -14.509   3.097
   94    H1*    A  35           H1*        A  35  52.691 -14.688   4.893
   95    H8     A  35           H8         A  35  55.741 -13.477   6.121
   96   1H6     A  35          H62         A  35  52.907 -10.622  10.828
   97   2H6     A  35          H61         A  35  54.441 -11.188  10.208
   98    H2     A  35           H2         A  35  49.804 -11.670   7.765
   99   1H5*    C  36          1H5*        C  36  50.650 -12.704   0.987
  100   2H5*    C  36          2H5*        C  36  50.469 -11.271  -0.047
  101    H4*    C  36           H4*        C  36  48.321 -12.271   0.383
  102    H3*    C  36           H3*        C  36  48.804  -9.537   1.495
  103    H2*    C  36           H2*        C  36  46.648  -9.548   2.562
  104   2HO*    C  36          2HO*        C  36  45.570 -11.859   2.086
  105    H1*    C  36           H1*        C  36  46.812 -12.132   3.576
  106   1H4     C  36          H42         C  36  49.241  -8.522   8.204
  107   2H4     C  36          H41         C  36  50.827  -8.647   7.475
  108    H5     C  36           H5         C  36  51.208  -9.705   5.329
  109    H6     C  36           H6         C  36  50.148 -10.858   3.458
  110    H2   6MZ  37           H2       6MZ  37  47.990  -4.640   8.808
  111    H8   6MZ  37           H8       6MZ  37  48.837  -7.955   3.376
  112    H1*  6MZ  37           H1*      6MZ  37  45.885  -7.619   5.235
  113   1H9C  6MZ  37          H72       6MZ  37  53.411  -6.503   7.214
  114   2H9C  6MZ  37          H73       6MZ  37  52.077  -7.528   6.637
  115   1H5*  6MZ  37          1H5*      6MZ  37  47.183  -5.679   0.602
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.110  -6.832   1.581
  117    H4*  6MZ  37           H4*      6MZ  37  45.138  -6.487   1.850
  118    H3*  6MZ  37           H3*      6MZ  37  47.255  -4.775   3.074
  119    H2*  6MZ  37           H2*      6MZ  37  46.160  -4.891   5.220
  120    HA   6MZ  37          2HO*      6MZ  37  44.184  -6.657   4.356
  121    H6   6MZ  37           H62      6MZ  37  52.316  -5.036   6.874
  122    H9   6MZ  37           H71      6MZ  37  52.137  -7.018   8.343
  123   1H5*    A  38          1H5*        A  38  48.495  -1.881   1.331
  124   2H5*    A  38          2H5*        A  38  47.787  -3.490   1.548
  125    H4*    A  38           H4*        A  38  47.904  -2.736   4.107
  126    H3*    A  38           H3*        A  38  50.093  -1.113   2.828
  127    H2*    A  38           H2*        A  38  51.463  -1.655   4.743
  128   2HO*    A  38          2HO*        A  38  50.354  -3.065   6.397
  129    H1*    A  38           H1*        A  38  50.721  -4.364   4.788
  130    H8     A  38           H8         A  38  51.054  -3.530   1.196
  131   1H6     A  38          H62         A  38  57.178  -4.197   1.829
  132   2H6     A  38          H61         A  38  55.864  -4.021   0.689
  133    H2     A  38           H2         A  38  55.351  -4.135   5.926
  134   1H5*    G  39          1H5*        G  39  50.066  -0.286   6.478
  135   2H5*    G  39          2H5*        G  39  50.260   1.387   7.038
  136    H4*    G  39           H4*        G  39  51.991   0.011   7.970
  137    H3*    G  39           H3*        G  39  52.956   2.005   5.932
  138    H2*    G  39           H2*        G  39  55.203   1.230   6.363
  139   2HO*    G  39          2HO*        G  39  54.002  -0.320   8.447
  140    H1*    G  39           H1*        G  39  54.530  -1.485   6.316
  141    H8     G  39           H8         G  39  52.421  -0.013   3.672
  142    H1     G  39           H1         G  39  58.556  -0.635   1.906
  143   1H2     G  39          H22         G  39  59.826  -0.991   3.643
  144   2H2     G  39          H21         G  39  59.159  -1.120   5.263
  145   1H5*    G  40          1H5*        G  40  55.483   2.277   8.952
  146   2H5*    G  40          2H5*        G  40  55.629   3.920   9.609
  147    H4*    G  40           H4*        G  40  57.820   3.185   9.278
  148    H3*    G  40           H3*        G  40  57.018   5.037   7.040
  149    H2*    G  40           H2*        G  40  59.246   4.777   6.152
  150   2HO*    G  40          2HO*        G  40  59.779   3.305   8.546
  151    H1*    G  40           H1*        G  40  59.326   2.005   6.519
  152    H8     G  40           H8         G  40  55.858   2.658   5.451
  153    H1     G  40           H1         G  40  60.053   2.873   0.608
  154   1H2     G  40          H22         G  40  62.096   3.030   1.388
  155   2H2     G  40          H21         G  40  62.445   3.040   3.107
  156   1H5*    A  41          1H5*        A  41  60.694   5.971   8.495
  157   2H5*    A  41          2H5*        A  41  60.924   7.696   8.828
  158    H4*    A  41           H4*        A  41  62.797   6.916   7.590
  159    H3*    A  41           H3*        A  41  60.979   8.699   5.988
  160    H2*    A  41           H2*        A  41  62.493   8.461   4.124
  161   2HO*    A  41          2HO*        A  41  64.168   7.153   6.039
  162    H1*    A  41           H1*        A  41  62.807   5.699   4.407
  163    H8     A  41           H8         A  41  59.236   6.335   5.219
  164   1H6     A  41          H62         A  41  58.154   6.529  -0.858
  165   2H6     A  41          H61         A  41  57.417   6.581   0.735
  166    H2     A  41           H2         A  41  62.585   6.545  -0.250
  167   1H5*    G  42          1H5*        G  42  64.696   9.849   5.122
  168   2H5*    G  42          2H5*        G  42  64.956  11.571   5.462
  169    H4*    G  42           H4*        G  42  65.798  11.204   3.307
  170    H3*    G  42           H3*        G  42  63.103  12.548   3.160
  171    H2*    G  42           H2*        G  42  63.366  12.601   0.762
  172   2HO*    G  42          2HO*        G  42  66.010  11.634   1.273
  173    H1*    G  42           H1*        G  42  64.329   9.969   0.578
  174    H8     G  42           H8         G  42  61.684   9.807   3.142
  175    H1     G  42           H1         G  42  59.359  10.230  -2.823
  176   1H2     G  42          H22         G  42  60.952  10.760  -4.229
  177   2H2     G  42          H21         G  42  62.599  11.040  -3.688
  178   1H5*    G  43          1H5*        G  43  65.534  14.414   0.552
  179   2H5*    G  43          2H5*        G  43  65.564  16.169   0.809
  180    H4*    G  43           H4*        G  43  65.211  15.809  -1.496
  181    H3*    G  43           H3*        G  43  62.683  16.679  -0.109
  182    H2*    G  43           H2*        G  43  61.580  16.630  -2.250
  183   2HO*    G  43          2HO*        G  43  64.207  16.213  -3.308
  184    H1*    G  43           H1*        G  43  62.780  14.216  -3.078
  185    H8     G  43           H8         G  43  61.928  13.712   0.484
  186    H1     G  43           H1         G  43  56.842  13.282  -3.405
  187   1H2     G  43          H22         G  43  57.344  14.063  -5.404
  188   2H2     G  43          H21         G  43  58.944  14.672  -5.780
  189    H3T    G  43           H3T        G  43  64.871  17.812  -1.195
  Start of MODEL   10
    1   1H5*    C  27          1H5*        C  27  49.127  11.662  -6.545
    2   2H5*    C  27          2H5*        C  27  49.422  10.133  -7.393
    3    H4*    C  27           H4*        C  27  50.987  11.617  -8.267
    4    H3*    C  27           H3*        C  27  52.272   9.809  -6.241
    5    H2*    C  27           H2*        C  27  54.367  10.936  -6.629
    6   2HO*    C  27          2HO*        C  27  54.714  11.727  -8.570
    7    H1*    C  27           H1*        C  27  53.300  13.511  -6.583
    8   1H4     C  27          H42         C  27  55.158  12.332  -0.607
    9   2H4     C  27          H41         C  27  53.552  11.739  -0.242
   10    H5     C  27           H5         C  27  51.841  11.448  -1.923
   11    H6     C  27           H6         C  27  51.311  11.687  -4.293
   12    H5T    C  27           H5T        C  27  49.712  10.774  -4.734
   13   1H5*    C  28          1H5*        C  28  54.769   9.916  -9.366
   14   2H5*    C  28          2H5*        C  28  55.148   8.311 -10.020
   15    H4*    C  28           H4*        C  28  57.208   9.374  -9.772
   16    H3*    C  28           H3*        C  28  56.779   7.460  -7.485
   17    H2*    C  28           H2*        C  28  58.968   8.078  -6.680
   18   2HO*    C  28          2HO*        C  28  60.422   8.694  -8.100
   19    H1*    C  28           H1*        C  28  58.594  10.818  -7.058
   20   1H4     C  28          H42         C  28  56.890   9.680  -1.036
   21   2H4     C  28          H41         C  28  55.230   9.466  -1.570
   22    H5     C  28           H5         C  28  54.595   9.408  -3.885
   23    H6     C  28           H6         C  28  55.396   9.595  -6.180
   24   1H5*    U  29          1H5*        U  29  60.535   6.884  -8.947
   25   2H5*    U  29          2H5*        U  29  60.893   5.176  -9.268
   26    H4*    U  29           H4*        U  29  62.703   6.082  -8.038
   27    H3*    U  29           H3*        U  29  61.010   4.243  -6.355
   28    H2*    U  29           H2*        U  29  62.541   4.638  -4.538
   29   2HO*    U  29          2HO*        U  29  64.546   5.224  -4.919
   30    H1*    U  29           H1*        U  29  62.695   7.395  -4.931
   31    H3     U  29           H3         U  29  60.267   6.427  -1.140
   32    H5     U  29           H5         U  29  57.520   6.646  -4.316
   33    H6     U  29           H6         U  29  59.391   6.647  -5.825
   34   1H5*    C  30          1H5*        C  30  64.958   3.493  -5.615
   35   2H5*    C  30          2H5*        C  30  65.323   1.763  -5.760
   36    H4*    C  30           H4*        C  30  66.251   2.596  -3.715
   37    H3*    C  30           H3*        C  30  63.929   0.723  -3.348
   38    H2*    C  30           H2*        C  30  64.178   0.970  -0.963
   39   2HO*    C  30          2HO*        C  30  66.080   1.460  -0.144
   40    H1*    C  30           H1*        C  30  64.506   3.741  -1.015
   41   1H4     C  30          H42         C  30  58.303   2.622  -0.095
   42   2H4     C  30          H41         C  30  58.038   2.711  -1.821
   43    H5     C  30           H5         C  30  59.845   2.918  -3.410
   44    H6     C  30           H6         C  30  62.262   3.108  -3.664
   45   1H5*    C  31          1H5*        C  31  66.780  -0.305  -0.663
   46   2H5*    C  31          2H5*        C  31  67.261  -2.003  -0.844
   47    H4*    C  31           H4*        C  31  66.911  -1.678   1.447
   48    H3*    C  31           H3*        C  31  64.612  -3.150   0.187
   49    H2*    C  31           H2*        C  31  63.525  -3.227   2.332
   50   2HO*    C  31          2HO*        C  31  64.635  -2.766   4.216
   51    H1*    C  31           H1*        C  31  64.171  -0.590   3.065
   52   1H4     C  31          H42         C  31  58.282  -0.413   0.681
   53   2H4     C  31          H41         C  31  58.931  -0.155  -0.926
   54    H5     C  31           H5         C  31  61.310  -0.212  -1.393
   55    H6     C  31           H6         C  31  63.522  -0.571  -0.430
   56   1H5*    C  32          1H5*        C  32  65.314  -4.759   3.589
   57   2H5*    C  32          2H5*        C  32  65.238  -6.528   3.714
   58    H4*    C  32           H4*        C  32  63.661  -5.436   5.214
   59    H3*    C  32           H3*        C  32  62.591  -7.231   3.070
   60    H2*    C  32           H2*        C  32  60.333  -6.719   3.732
   61   2HO*    C  32          2HO*        C  32  61.200  -6.586   6.081
   62    H1*    C  32           H1*        C  32  60.697  -3.976   3.967
   63   1H4     C  32          H42         C  32  58.958  -4.666  -2.094
   64   2H4     C  32          H41         C  32  60.598  -5.080  -2.540
   65    H5     C  32           H5         C  32  62.371  -5.367  -0.914
   66    H6     C  32           H6         C  32  62.928  -5.312   1.461
   67   1H5*    U  33          1H5*        U  33  59.916  -9.002   6.250
   68   2H5*    U  33          2H5*        U  33  60.742 -10.572   6.251
   69    H4*    U  33           H4*        U  33  58.368 -10.879   6.012
   70    H3*    U  33           H3*        U  33  60.078 -11.670   3.688
   71    H2*    U  33           H2*        U  33  58.127 -12.232   2.398
   72   2HO*    U  33          2HO*        U  33  57.106 -12.880   4.662
   73    H1*    U  33           H1*        U  33  56.657  -9.968   3.056
   74    H3     U  33           H3         U  33  58.143  -9.374  -1.212
   75    H5     U  33           H5         U  33  61.274  -8.053   1.258
   76    H6     U  33           H6         U  33  60.072  -8.960   3.134
   77   1H5*  CM0  34          1H5*      CM0  34  58.107 -15.425   3.043
   78   2H5*  CM0  34          2H5*      CM0  34  59.381 -16.427   3.768
   79    H4*  CM0  34           H4*      CM0  34  60.524 -16.196   1.453
   80    H3*  CM0  34           H3*      CM0  34  57.756 -15.276   0.757
   81    H1*  CM0  34           H1*      CM0  34  58.864 -18.917   0.048
   82    H2*  CM0  34           H2*      CM0  34  57.776 -16.673  -1.201
   83    H6   CM0  34           H6       CM0  34  56.955 -17.417   2.601
   84    H3   CM0  34           H3       CM0  34  54.412 -19.664  -0.758
   85   1H7C  CM0  34          H7        CM0  34  55.293 -18.303   5.093
   86   2H7C  CM0  34          H8        CM0  34  54.453 -19.619   4.216
   87    HA   CM0  34          2HO*      CM0  34  59.833 -16.450  -1.980
   88   1H5*    A  35          1H5*        A  35  56.325 -12.133  -0.421
   89   2H5*    A  35          2H5*        A  35  56.593 -13.278   0.908
   90    H4*    A  35           H4*        A  35  54.760 -14.008  -1.333
   91    H3*    A  35           H3*        A  35  54.101 -11.971   0.760
   92    H2*    A  35           H2*        A  35  51.967 -13.016   1.134
   93   2HO*    A  35          2HO*        A  35  51.036 -14.110  -0.442
   94    H1*    A  35           H1*        A  35  52.914 -15.631   1.182
   95    H8     A  35           H8         A  35  55.732 -14.191   2.861
   96   1H6     A  35          H62         A  35  52.281 -13.315   7.927
   97   2H6     A  35          H61         A  35  53.909 -13.357   7.288
   98    H2     A  35           H2         A  35  49.524 -14.193   4.501
   99   1H5*    C  36          1H5*        C  36  50.502 -12.534  -1.719
  100   2H5*    C  36          2H5*        C  36  50.749 -11.100  -2.736
  101    H4*    C  36           H4*        C  36  48.490 -11.061  -2.563
  102    H3*    C  36           H3*        C  36  49.520  -9.409  -0.284
  103    H2*    C  36           H2*        C  36  47.271  -9.137   0.536
  104   2HO*    C  36          2HO*        C  36  46.461 -10.486  -1.855
  105    H1*    C  36           H1*        C  36  46.532 -11.803   0.242
  106   1H4     C  36          H42         C  36  48.850 -11.474   6.148
  107   2H4     C  36          H41         C  36  50.463 -11.768   5.539
  108    H5     C  36           H5         C  36  50.973 -11.884   3.173
  109    H6     C  36           H6         C  36  50.043 -11.738   0.922
  110    H2   6MZ  37           H2       6MZ  37  47.318  -6.858   8.678
  111    H8   6MZ  37           H8       6MZ  37  49.638  -8.558   2.938
  112    H1*  6MZ  37           H1*      6MZ  37  46.377  -8.813   4.027
  113   1H9C  6MZ  37          H72       6MZ  37  52.319  -7.139   6.432
  114   2H9C  6MZ  37          H73       6MZ  37  53.153  -7.579   7.941
  115   1H5*  6MZ  37          1H5*      6MZ  37  48.583  -5.476   0.970
  116   2H5*  6MZ  37          2H5*      6MZ  37  49.071  -7.173   1.136
  117    H4*  6MZ  37           H4*      6MZ  37  46.176  -6.741   1.042
  118    H3*  6MZ  37           H3*      6MZ  37  47.729  -5.312   3.151
  119    H2*  6MZ  37           H2*      6MZ  37  46.313  -6.201   4.883
  120    HA   6MZ  37          2HO*      6MZ  37  44.603  -7.774   3.940
  121    H6   6MZ  37           H62      6MZ  37  51.698  -8.691   8.283
  122    H9   6MZ  37           H71      6MZ  37  51.991  -6.232   7.929
  123   1H5*    A  38          1H5*        A  38  48.604  -1.762   2.299
  124   2H5*    A  38          2H5*        A  38  48.260  -3.493   2.132
  125    H4*    A  38           H4*        A  38  47.895  -2.901   4.845
  126    H3*    A  38           H3*        A  38  50.296  -1.414   3.809
  127    H2*    A  38           H2*        A  38  51.515  -2.170   5.746
  128   2HO*    A  38          2HO*        A  38  50.487  -2.680   7.553
  129    H1*    A  38           H1*        A  38  50.524  -4.800   5.666
  130    H8     A  38           H8         A  38  51.084  -4.373   2.142
  131   1H6     A  38          H62         A  38  57.193  -4.761   3.087
  132   2H6     A  38          H61         A  38  55.922  -4.805   1.886
  133    H2     A  38           H2         A  38  55.210  -4.104   7.053
  134   1H5*    G  39          1H5*        G  39  50.288  -0.713   7.430
  135   2H5*    G  39          2H5*        G  39  50.382   0.962   8.012
  136    H4*    G  39           H4*        G  39  52.149  -0.290   9.004
  137    H3*    G  39           H3*        G  39  53.087   1.669   6.920
  138    H2*    G  39           H2*        G  39  55.354   0.996   7.422
  139   2HO*    G  39          2HO*        G  39  54.145  -0.494   9.543
  140    H1*    G  39           H1*        G  39  54.792  -1.739   7.428
  141    H8     G  39           H8         G  39  52.641  -0.469   4.730
  142    H1     G  39           H1         G  39  58.820  -0.722   3.033
  143   1H2     G  39          H22         G  39  60.093  -0.966   4.789
  144   2H2     G  39          H21         G  39  59.424  -1.110   6.407
  145   1H5*    G  40          1H5*        G  40  55.508   2.169   9.976
  146   2H5*    G  40          2H5*        G  40  55.556   3.828  10.604
  147    H4*    G  40           H4*        G  40  57.787   3.205  10.344
  148    H3*    G  40           H3*        G  40  56.947   4.960   8.046
  149    H2*    G  40           H2*        G  40  59.200   4.791   7.204
  150   2HO*    G  40          2HO*        G  40  59.763   3.393   9.634
  151    H1*    G  40           H1*        G  40  59.410   2.038   7.623
  152    H8     G  40           H8         G  40  55.924   2.472   6.517
  153    H1     G  40           H1         G  40  60.145   2.866   1.705
  154   1H2     G  40          H22         G  40  62.170   3.156   2.500
  155   2H2     G  40          H21         G  40  62.496   3.214   4.223
  156   1H5*    A  41          1H5*        A  41  60.550   6.095   9.544
  157   2H5*    A  41          2H5*        A  41  60.697   7.838   9.836
  158    H4*    A  41           H4*        A  41  62.625   7.094   8.651
  159    H3*    A  41           H3*        A  41  60.772   8.791   6.994
  160    H2*    A  41           H2*        A  41  62.324   8.582   5.159
  161   2HO*    A  41          2HO*        A  41  64.018   7.288   7.068
  162    H1*    A  41           H1*        A  41  62.730   5.837   5.479
  163    H8     A  41           H8         A  41  59.130   6.335   6.237
  164   1H6     A  41          H62         A  41  58.114   6.451   0.143
  165   2H6     A  41          H61         A  41  57.356   6.472   1.726
  166    H2     A  41           H2         A  41  62.534   6.646   0.805
  167   1H5*    G  42          1H5*        G  42  64.483  10.047   6.174
  168   2H5*    G  42          2H5*        G  42  64.675  11.780   6.501
  169    H4*    G  42           H4*        G  42  65.579  11.412   4.369
  170    H3*    G  42           H3*        G  42  62.856  12.685   4.156
  171    H2*    G  42           H2*        G  42  63.154  12.713   1.762
  172   2HO*    G  42          2HO*        G  42  65.814  11.821   2.326
  173    H1*    G  42           H1*        G  42  64.185  10.107   1.621
  174    H8     G  42           H8         G  42  61.515   9.907   4.160
  175    H1     G  42           H1         G  42  59.248  10.179  -1.834
  176   1H2     G  42          H22         G  42  60.842  10.740  -3.232
  177   2H2     G  42          H21         G  42  62.474  11.078  -2.675
  178   1H5*    G  43          1H5*        G  43  65.287  14.573   1.549
  179   2H5*    G  43          2H5*        G  43  65.261  16.332   1.782
  180    H4*    G  43           H4*        G  43  64.958  15.921  -0.526
  181    H3*    G  43           H3*        G  43  62.396  16.768   0.813
  182    H2*    G  43           H2*        G  43  61.317  16.653  -1.337
  183   2HO*    G  43          2HO*        G  43  63.986  16.356  -2.319
  184    H1*    G  43           H1*        G  43  62.576  14.251  -2.109
  185    H8     G  43           H8         G  43  61.698  13.792   1.452
  186    H1     G  43           H1         G  43  56.664  13.173  -2.479
  187   1H2     G  43          H22         G  43  57.166  13.938  -4.486
  188   2H2     G  43          H21         G  43  58.754  14.580  -4.855
  189    H3T    G  43           H3T        G  43  64.195  18.168   0.581
  Start of MODEL   11
    1   1H5*    C  27          1H5*        C  27  49.926  12.003  -6.732
    2   2H5*    C  27          2H5*        C  27  50.139  10.429  -7.518
    3    H4*    C  27           H4*        C  27  51.803  11.778  -8.423
    4    H3*    C  27           H3*        C  27  52.951   9.977  -6.310
    5    H2*    C  27           H2*        C  27  55.114  10.960  -6.708
    6   2HO*    C  27          2HO*        C  27  55.534  11.657  -8.672
    7    H1*    C  27           H1*        C  27  54.203  13.595  -6.781
    8   1H4     C  27          H42         C  27  55.910  12.546  -0.734
    9   2H4     C  27          H41         C  27  54.269  12.057  -0.374
   10    H5     C  27           H5         C  27  52.567  11.804  -2.065
   11    H6     C  27           H6         C  27  52.082  11.981  -4.451
   12    H5T    C  27           H5T        C  27  50.434  11.151  -4.881
   13   1H5*    C  28          1H5*        C  28  55.487   9.813  -9.406
   14   2H5*    C  28          2H5*        C  28  55.778   8.162  -9.988
   15    H4*    C  28           H4*        C  28  57.892   9.116  -9.760
   16    H3*    C  28           H3*        C  28  57.337   7.324  -7.402
   17    H2*    C  28           H2*        C  28  59.559   7.847  -6.610
   18   2HO*    C  28          2HO*        C  28  61.049   8.335  -8.046
   19    H1*    C  28           H1*        C  28  59.336  10.584  -7.083
   20   1H4     C  28          H42         C  28  57.499   9.781  -1.050
   21   2H4     C  28          H41         C  28  55.836   9.641  -1.593
   22    H5     C  28           H5         C  28  55.224   9.529  -3.916
   23    H6     C  28           H6         C  28  56.061   9.578  -6.206
   24   1H5*    U  29          1H5*        U  29  61.041   6.473  -8.842
   25   2H5*    U  29          2H5*        U  29  61.334   4.738  -9.062
   26    H4*    U  29           H4*        U  29  63.174   5.667  -7.878
   27    H3*    U  29           H3*        U  29  61.435   3.937  -6.127
   28    H2*    U  29           H2*        U  29  62.955   4.384  -4.315
   29   2HO*    U  29          2HO*        U  29  64.976   4.926  -4.696
   30    H1*    U  29           H1*        U  29  63.174   7.115  -4.828
   31    H3     U  29           H3         U  29  60.695   6.346  -1.020
   32    H5     U  29           H5         U  29  57.984   6.553  -4.229
   33    H6     U  29           H6         U  29  59.864   6.418  -5.717
   34   1H5*    C  30          1H5*        C  30  65.374   3.152  -5.319
   35   2H5*    C  30          2H5*        C  30  65.707   1.409  -5.368
   36    H4*    C  30           H4*        C  30  66.630   2.350  -3.359
   37    H3*    C  30           H3*        C  30  64.294   0.511  -2.921
   38    H2*    C  30           H2*        C  30  64.510   0.885  -0.551
   39   2HO*    C  30          2HO*        C  30  66.404   1.413   0.272
   40    H1*    C  30           H1*        C  30  64.851   3.648  -0.741
   41   1H4     C  30          H42         C  30  58.620   2.593   0.125
   42   2H4     C  30          H41         C  30  58.393   2.602  -1.607
   43    H5     C  30           H5         C  30  60.229   2.729  -3.170
   44    H6     C  30           H6         C  30  62.650   2.895  -3.389
   45   1H5*    C  31          1H5*        C  31  67.084  -0.316  -0.155
   46   2H5*    C  31          2H5*        C  31  67.621  -2.007  -0.227
   47    H4*    C  31           H4*        C  31  67.235  -1.547   2.038
   48    H3*    C  31           H3*        C  31  65.047  -3.204   0.829
   49    H2*    C  31           H2*        C  31  63.837  -3.149   2.892
   50   2HO*    C  31          2HO*        C  31  65.505  -1.731   4.470
   51    H1*    C  31           H1*        C  31  64.436  -0.468   3.543
   52   1H4     C  31          H42         C  31  58.584  -0.408   1.051
   53   2H4     C  31          H41         C  31  59.274  -0.225  -0.547
   54    H5     C  31           H5         C  31  61.651  -0.308  -0.970
   55    H6     C  31           H6         C  31  63.847  -0.628   0.043
   56   1H5*    C  32          1H5*        C  32  65.008  -4.812   4.236
   57   2H5*    C  32          2H5*        C  32  64.712  -6.558   4.125
   58    H4*    C  32           H4*        C  32  62.859  -5.153   5.098
   59    H3*    C  32           H3*        C  32  62.437  -7.147   2.906
   60    H2*    C  32           H2*        C  32  60.125  -6.509   2.727
   61   2HO*    C  32          2HO*        C  32  60.630  -4.933   5.060
   62    H1*    C  32           H1*        C  32  60.551  -3.765   2.813
   63   1H4     C  32          H42         C  32  60.793  -5.163  -3.380
   64   2H4     C  32          H41         C  32  62.488  -5.576  -3.231
   65    H5     C  32           H5         C  32  63.647  -5.635  -1.107
   66    H6     C  32           H6         C  32  63.417  -5.314   1.301
   67   1H5*    U  33          1H5*        U  33  58.837  -7.877   4.123
   68   2H5*    U  33          2H5*        U  33  59.049  -9.351   5.085
   69    H4*    U  33           H4*        U  33  57.302  -9.955   3.754
   70    H3*    U  33           H3*        U  33  59.815 -10.880   2.412
   71    H2*    U  33           H2*        U  33  58.545 -11.620   0.506
   72   2HO*    U  33          2HO*        U  33  56.083 -11.044   0.870
   73    H1*    U  33           H1*        U  33  56.944  -9.351   0.313
   74    H3     U  33           H3         U  33  59.843  -8.766  -3.091
   75    H5     U  33           H5         U  33  62.081  -7.823   0.336
   76    H6     U  33           H6         U  33  60.225  -8.587   1.664
   77   1H5*  CM0  34          1H5*      CM0  34  57.353 -15.486   2.689
   78   2H5*  CM0  34          2H5*      CM0  34  59.000 -16.025   3.070
   79    H4*  CM0  34           H4*      CM0  34  59.469 -16.410   0.743
   80    H3*  CM0  34           H3*      CM0  34  56.815 -15.124   0.193
   81    H1*  CM0  34           H1*      CM0  34  57.391 -18.948  -0.198
   82    H2*  CM0  34           H2*      CM0  34  56.412 -16.702  -1.571
   83    H6   CM0  34           H6       CM0  34  55.866 -17.247   2.410
   84    H3   CM0  34           H3       CM0  34  52.803 -19.118  -0.736
   85   1H7C  CM0  34          H7        CM0  34  51.650 -16.713   2.774
   86   2H7C  CM0  34          H8        CM0  34  52.411 -15.905   4.179
   87    HA   CM0  34          2HO*      CM0  34  58.127 -18.140  -2.216
   88   1H5*    A  35          1H5*        A  35  55.398 -12.207  -1.919
   89   2H5*    A  35          2H5*        A  35  56.040 -12.670  -0.332
   90    H4*    A  35           H4*        A  35  53.729 -14.019  -1.719
   91    H3*    A  35           H3*        A  35  53.709 -11.719   0.196
   92    H2*    A  35           H2*        A  35  51.889 -12.714   1.415
   93   2HO*    A  35          2HO*        A  35  51.440 -13.876  -0.980
   94    H1*    A  35           H1*        A  35  52.930 -15.289   1.473
   95    H8     A  35           H8         A  35  56.088 -13.709   1.894
   96   1H6     A  35          H62         A  35  54.510 -11.944   7.616
   97   2H6     A  35          H61         A  35  55.836 -12.141   6.491
   98    H2     A  35           H2         A  35  50.788 -13.238   5.481
   99   1H5*    C  36          1H5*        C  36  49.444 -12.834  -1.398
  100   2H5*    C  36          2H5*        C  36  49.279 -11.322  -2.312
  101    H4*    C  36           H4*        C  36  47.139 -11.808  -1.514
  102    H3*    C  36           H3*        C  36  48.458  -9.620   0.044
  103    H2*    C  36           H2*        C  36  46.583  -9.519   1.550
  104   2HO*    C  36          2HO*        C  36  44.658 -10.041   0.814
  105    H1*    C  36           H1*        C  36  46.301 -12.266   1.878
  106   1H4     C  36          H42         C  36  50.270 -10.583   6.541
  107   2H4     C  36          H41         C  36  51.629 -10.729   5.451
  108    H5     C  36           H5         C  36  51.375 -11.175   3.084
  109    H6     C  36           H6         C  36  49.770 -11.568   1.290
  110    H2   6MZ  37           H2       6MZ  37  49.793  -6.678   8.428
  111    H8   6MZ  37           H8       6MZ  37  49.295  -8.608   2.324
  112    H1*  6MZ  37           H1*      6MZ  37  46.850  -8.689   4.750
  113   1H9C  6MZ  37          H72       6MZ  37  54.698  -7.763   5.330
  114   2H9C  6MZ  37          H73       6MZ  37  53.790  -6.425   6.070
  115   1H5*  6MZ  37          1H5*      6MZ  37  47.304  -5.508   0.733
  116   2H5*  6MZ  37          2H5*      6MZ  37  48.219  -6.997   1.038
  117    H4*  6MZ  37           H4*      6MZ  37  45.419  -6.701   2.041
  118    H3*  6MZ  37           H3*      6MZ  37  47.770  -5.288   3.207
  119    H2*  6MZ  37           H2*      6MZ  37  47.218  -6.050   5.421
  120    HA   6MZ  37          2HO*      6MZ  37  44.759  -6.418   4.217
  121    H6   6MZ  37           H62      6MZ  37  53.410  -8.897   6.049
  122    H9   6MZ  37           H71      6MZ  37  53.363  -6.999   4.438
  123   1H5*    A  38          1H5*        A  38  48.830  -1.927   2.444
  124   2H5*    A  38          2H5*        A  38  48.297  -3.609   2.291
  125    H4*    A  38           H4*        A  38  48.472  -3.357   4.989
  126    H3*    A  38           H3*        A  38  50.592  -1.514   3.900
  127    H2*    A  38           H2*        A  38  52.046  -2.376   5.620
  128   2HO*    A  38          2HO*        A  38  50.951  -2.674   7.446
  129    H1*    A  38           H1*        A  38  51.192  -5.058   5.301
  130    H8     A  38           H8         A  38  51.586  -4.550   1.865
  131   1H6     A  38          H62         A  38  57.723  -3.983   2.476
  132   2H6     A  38          H61         A  38  56.412  -4.254   1.350
  133    H2     A  38           H2         A  38  55.871  -3.522   6.534
  134   1H5*    G  39          1H5*        G  39  50.485  -0.623   7.824
  135   2H5*    G  39          2H5*        G  39  50.558   1.104   8.226
  136    H4*    G  39           H4*        G  39  52.363  -0.070   9.295
  137    H3*    G  39           H3*        G  39  53.226   1.806   7.101
  138    H2*    G  39           H2*        G  39  55.512   1.233   7.640
  139   2HO*    G  39          2HO*        G  39  54.327  -0.141   9.849
  140    H1*    G  39           H1*        G  39  55.031  -1.513   7.786
  141    H8     G  39           H8         G  39  52.855  -0.407   5.019
  142    H1     G  39           H1         G  39  59.047  -0.653   3.367
  143   1H2     G  39          H22         G  39  60.314  -0.817   5.146
  144   2H2     G  39          H21         G  39  59.623  -0.900   6.759
  145   1H5*    G  40          1H5*        G  40  55.603   2.559  10.218
  146   2H5*    G  40          2H5*        G  40  55.650   4.271  10.680
  147    H4*    G  40           H4*        G  40  57.882   3.548  10.519
  148    H3*    G  40           H3*        G  40  57.111   5.237   8.147
  149    H2*    G  40           H2*        G  40  59.375   5.005   7.359
  150   2HO*    G  40          2HO*        G  40  59.876   3.676   9.843
  151    H1*    G  40           H1*        G  40  59.533   2.263   7.885
  152    H8     G  40           H8         G  40  56.091   2.665   6.676
  153    H1     G  40           H1         G  40  60.418   2.915   1.950
  154   1H2     G  40          H22         G  40  62.425   3.242   2.775
  155   2H2     G  40          H21         G  40  62.713   3.365   4.500
  156   1H5*    A  41          1H5*        A  41  60.702   6.354   9.694
  157   2H5*    A  41          2H5*        A  41  60.889   8.103   9.905
  158    H4*    A  41           H4*        A  41  62.821   7.242   8.800
  159    H3*    A  41           H3*        A  41  61.065   8.925   7.028
  160    H2*    A  41           H2*        A  41  62.673   8.599   5.254
  161   2HO*    A  41          2HO*        A  41  64.254   7.276   7.238
  162    H1*    A  41           H1*        A  41  62.961   5.858   5.685
  163    H8     A  41           H8         A  41  59.361   6.500   6.326
  164   1H6     A  41          H62         A  41  58.512   6.471   0.203
  165   2H6     A  41          H61         A  41  57.711   6.550   1.761
  166    H2     A  41           H2         A  41  62.916   6.537   0.982
  167   1H5*    G  42          1H5*        G  42  64.893  10.011   6.301
  168   2H5*    G  42          2H5*        G  42  65.114  11.754   6.554
  169    H4*    G  42           H4*        G  42  66.121  11.229   4.491
  170    H3*    G  42           H3*        G  42  63.493  12.652   4.120
  171    H2*    G  42           H2*        G  42  63.857  12.556   1.738
  172   2HO*    G  42          2HO*        G  42  66.440  11.520   2.404
  173    H1*    G  42           H1*        G  42  64.723   9.892   1.723
  174    H8     G  42           H8         G  42  62.006   9.953   4.218
  175    H1     G  42           H1         G  42  59.862  10.113  -1.824
  176   1H2     G  42          H22         G  42  61.516  10.532  -3.213
  177   2H2     G  42          H21         G  42  63.149  10.807  -2.626
  178   1H5*    G  43          1H5*        G  43  66.113  14.284   1.504
  179   2H5*    G  43          2H5*        G  43  66.175  16.049   1.671
  180    H4*    G  43           H4*        G  43  65.904  15.560  -0.627
  181    H3*    G  43           H3*        G  43  63.373  16.614   0.615
  182    H2*    G  43           H2*        G  43  62.335  16.479  -1.555
  183   2HO*    G  43          2HO*        G  43  64.973  15.889  -2.497
  184    H1*    G  43           H1*        G  43  63.449  13.973  -2.198
  185    H8     G  43           H8         G  43  62.489  13.729   1.365
  186    H1     G  43           H1         G  43  57.490  13.232  -2.629
  187   1H2     G  43          H22         G  43  58.067  13.880  -4.654
  188   2H2     G  43          H21         G  43  59.695  14.414  -5.026
  189    H3T    G  43           H3T        G  43  64.763  18.161   0.472