*HEADER    RNA                                     03-MAY-06   2GVO              
*TITLE     SOLUTION STRUCTURE OF A PURINE RICH HEXALOOP HAIRPIN                  
*TITLE    2 BELONGING TO PGY/MDR1 MRNA AND TARGETED BY ANTISENSE                 
*TITLE    3 OLIGONUCLEOTIDES                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GUANOSINE-5'-MONOPHOSPHATE;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: PGY/MDR1 MRNA                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO                
*SOURCE   4 SAPIENS (HUMANS)                                                     
*KEYWDS    RNA STRUCTURE, HAIRPIN STRUCTURE, G.U WOBBLE PAIR, HEXALOOP,          
*KEYWDS   2 13C/15N-LABELED RNA                                                  
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    F.JOLI, N.BOUCHEMAL, A.LAIGLE, B.HARTMANN, E.HANTZ                    
*REVDAT   1   08-MAY-07 2GVO    0                                                


#d  HN1 N3 1 18 0 2  
&rst iat= 1, 18, atnam= "H1", "N3", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  H1N2 O2 1 18 0 2
&rst iat= 1, 18, atnam= "H21", "O2", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  O6 H1N4 1 18 0 2
&rst iat= 1, 18, atnam= "O6", "H41", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end


#d  N1 HN3 2 17 0 2
&rst iat= 2, 17, atnam= "N1", "H3", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  H1N6 O4 2 17 0 2
&rst iat= 2, 17, atnam= "H61", "O4", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end


#d  HN1 N3 3 16 0 2  
&rst iat= 3, 16, atnam= "H1", "N3", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  H1N2 O2 3 16 0 2
&rst iat= 3, 16, atnam= "H21", "O2", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  O6 H1N4 3 16 0 2
&rst iat= 3, 16, atnam= "O6", "H41", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  O6 HN3 4 15 0 2
&rst iat= 4, 15, atnam= "O6", "H3", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  HN1 O2 4 15 0 2
&rst iat= 4, 15, atnam= "H1", "O2", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end


#d  O4 H1N6 5 14 0 2
&rst iat= 5, 14, atnam= "O4", "H61", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  HN3 N1 5 14 0 2
&rst iat= 5, 14, atnam= "H3", "N1", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  O2 H1N2 6 13 0 2  
&rst iat= 6, 13, atnam= "O2", "H21", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  N3 HN1 6 13 0 2
&rst iat= 6, 13, atnam= "N3", "H1", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end

#d  H1N4 O6 6 13 0 2
&rst iat= 6, 13, atnam= "H41", "O6", iresid= 1,
    r1= 0.0, r2=1.0, r3 = 2.0, r4 = 12.0,
    rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
   
 
 
 
 # eps 
 &rst iat= 2, 2, 2, 3, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 2, 2, 3, 3, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end  
#alpha
 &rst iat= 2, 3, 3, 3, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 = 50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 3, 3, 3, 3, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 =  50,                             &end
#beta 
 &rst iat= 3, 3, 3, 3, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end    
  
# eps 
 &rst iat= 3, 3, 3, 4, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 3, 3, 4, 4, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end    
#alpha
 &rst iat= 3, 4, 4, 4, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 = 50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 4, 4, 4, 4, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 =  50,                             &end
#beta 
 &rst iat= 4, 4, 4, 4, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 
  
# eps 
 &rst iat= 4, 4, 4, 5, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 4, 4, 5, 5, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end      
#alpha
 &rst iat= 4, 5, 5, 5, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 5, 5, 5, 5, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
#beta 
 &rst iat= 5, 5, 5, 5, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 
    
# eps 
 &rst iat= 5, 5, 5, 6, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 5, 5, 6, 6, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
#alpha
 &rst iat= 5, 6, 6, 6, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end 
#beta 
 &rst iat= 6, 6, 6, 6, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 
#gamma 
 &rst iat= 6, 6, 6, 6, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 = 50,                             &end
  
# eps 
 &rst iat= 6, 6, 6, 7, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 6, 6, 7, 7, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end          
#alpha
 &rst iat= 6, 7, 7, 7, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 = 50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 7, 7, 7, 7, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  80, rk3 =  80,                             &end
#beta 
 &rst iat= 7, 7, 7, 7, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 
  

#alpha
 &rst iat= 7, 8, 8, 8, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 = 50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 8, 8, 8, 8, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
#beta 
 &rst iat= 8, 8, 8, 8, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end     
    
     # eps 
 &rst iat= 8, 8, 8, 9, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 8, 8, 9, 9, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
#beta 
 &rst iat= 9, 9, 9, 9, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end     
       
# eps 
 &rst iat= 9, 9, 9, 10, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 9, 9, 10, 10, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  

# eps 
 &rst iat= 10, 10, 10, 11, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 10, 10, 11, 11, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  

# eps 
 &rst iat= 11, 11, 11, 12, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 11, 11, 12, 12, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
 #gamma 
 &rst iat= 12,12, 12, 12, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 =  50,                             &end
       
# eps 
 &rst iat= 12, 12, 12, 13, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 12, 12, 13, 13, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
#alpha
 &rst iat= 12, 13, 13, 13, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 13, 13, 13, 13, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 = 50, rk3 =  50,                             &end
#beta 
 &rst iat= 13, 13, 13, 13, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end      

# eps 
 &rst iat= 13, 13, 13, 14, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 13, 13, 14, 14, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end     
#alpha
 &rst iat= 13, 14, 14, 14, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 14, 14, 14, 14, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 = 50, rk3 =  50,                             &end
#beta 
 &rst iat= 14, 14, 14, 14, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 
  
# eps 
 &rst iat= 14, 14, 14, 15, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 14, 14, 15, 15, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end   
#alpha
 &rst iat= 14, 15, 15, 15, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 = 50, rk3 =  50,                             &end  
#gamma 
 &rst iat= 15, 15, 15, 15, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 =  50,                             &end
#beta 
 &rst iat= 15, 15, 15, 15, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end        
    
# eps 
 &rst iat= 15, 15, 15, 16, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 = 130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 15, 15, 16, 16, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
   r1 =  240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end     
#alpha
 &rst iat= 15, 16, 16, 16, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end 
#gamma 
 &rst iat= 16, 16, 16, 16, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 = 50,                             &end   
#beta 
 &rst iat= 16, 16, 16, 16, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end  
       
# eps 
 &rst iat= 16, 16, 16, 17, atnam= "C4'", "C3'", "O3'", "P", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end
# zeta 
 &rst iat= 16, 16, 17, 17, atnam= "C3'", "O3'", "P", "O5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 = 50, rk3 =  50,                             &end  
#alpha
 &rst iat= 16, 17, 17, 17, atnam= "O3'", "P", "O5'", "C5'", iresid= 1,
    r1 = 240.0, r2 = 270.0, r3 = 330.0, r4 = 360.0,
    rk2 =  50, rk3 =  50,                             &end 
#gamma 
 &rst iat= 17, 17, 17, 17, atnam= "O5'", "C5'", "C4'", "C3'", iresid= 1,
    r1 = 0.0, r2 = 30.0, r3 = 90.0, r4 = 120.0,
    rk2 =  50, rk3 = 50,                             &end    
#beta 
 &rst iat= 17, 17, 17, 17, atnam= "P", "O5'", "C5'", "C4'", iresid= 1,
    r1 =  130.0, r2 = 150.0, r3 = 210.0, r4 = 230.0,
    rk2 =  50, rk3 =  50,                             &end 

     
       
# 1 GUA NU0:  (1 RG5 C4')-(1 RG5 O4')-(1 RG5 C1')-(1 RG5 C2') -38.1  37.7
 &rst     iat =     6,     8,     9,    28,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
   rk2 =   100.0, rk3 =   100.0,    &end

# 1 GUA NU1:  (1 RG5 O4')-(1 RG5 C1')-(1 RG5 C2')-(1 RG5 C3') -38.5  27.7
 &rst     iat =     8,     9,    28,    26,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 1 GUA NU2:  (1 RG5 C1')-(1 RG5 C2')-(1 RG5 C3')-(1 RG5 C4')  -6.7  38.5
 &rst     iat =     9,    28,    26,     6,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 1 GUA NU3:  (1 RG5 C2')-(1 RG5 C3')-(1 RG5 C4')-(1 RG5 O4') -38.5   4.0
 &rst     iat =    28,    26,     6,     8,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 1 GUA NU4:  (1 RG5 C3')-(1 RG5 C4')-(1 RG5 O4')-(1 RG5 C1') -25.8  38.5
 &rst     iat =    26,     6,     8,     9,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 2 ADE NU0:  (2 RA C4')-(2 RA O4')-(2 RA C1')-(2 RA C2') -38.1  37.7
 &rst     iat =    40,    42,    43,    61,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 2 ADE NU1:  (2 RA O4')-(2 RA C1')-(2 RA C2')-(2 RA C3') -38.5  27.7
 &rst     iat =    42,    43,    61,    59,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 2 ADE NU2:  (2 RA C1')-(2 RA C2')-(2 RA C3')-(2 RA C4')  -6.7  38.5
 &rst     iat =    43,    61,    59,    40,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 2 ADE NU3:  (2 RA C2')-(2 RA C3')-(2 RA C4')-(2 RA O4') -38.5   4.0
 &rst     iat =    61,    59,    40,    42,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 2 ADE NU4:  (2 RA C3')-(2 RA C4')-(2 RA O4')-(2 RA C1') -25.8  38.5
 &rst     iat =    59,    40,    42,    43,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 3 GUA NU0:  (3 RG C4')-(3 RG O4')-(3 RG C1')-(3 RG C2') -38.1  37.7
 &rst     iat =    73,    75,    76,    95,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 3 GUA NU1:  (3 RG O4')-(3 RG C1')-(3 RG C2')-(3 RG C3') -38.5  27.7
 &rst     iat =    75,    76,    95,    93,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 3 GUA NU2:  (3 RG C1')-(3 RG C2')-(3 RG C3')-(3 RG C4')  -6.7  38.5
 &rst     iat =    76,    95,    93,    73,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 3 GUA NU3:  (3 RG C2')-(3 RG C3')-(3 RG C4')-(3 RG O4') -38.5   4.0
 &rst     iat =    95,    93,    73,    75,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 3 GUA NU4:  (3 RG C3')-(3 RG C4')-(3 RG O4')-(3 RG C1') -25.8  38.5
 &rst     iat =    93,    73,    75,    76,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 4 GUA NU0:  (4 RG C4')-(4 RG O4')-(4 RG C1')-(4 RG C2') -38.1  37.7
 &rst     iat =   107,   109,   110,   129,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 4 GUA NU1:  (4 RG O4')-(4 RG C1')-(4 RG C2')-(4 RG C3') -38.5  27.7
 &rst     iat =   109,   110,   129,   127,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 4 GUA NU2:  (4 RG C1')-(4 RG C2')-(4 RG C3')-(4 RG C4')  -6.7  38.5
 &rst     iat =   110,   129,   127,   107,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 4 GUA NU3:  (4 RG C2')-(4 RG C3')-(4 RG C4')-(4 RG O4') -38.5   4.0
 &rst     iat =   129,   127,   107,   109,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 4 GUA NU4:  (4 RG C3')-(4 RG C4')-(4 RG O4')-(4 RG C1') -25.8  38.5
 &rst     iat =   127,   107,   109,   110,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 5 CYT NU0:  (5 RU C4')-(5 RU O4')-(5 RU C1')-(5 RU C2') -38.5  25.8
 &rst     iat =   141,   143,   144,   159,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 5 CYT NU1:  (5 RU O4')-(5 RU C1')-(5 RU C2')-(5 RU C3')  -4.0  38.5
 &rst     iat =   143,   144,   159,   157,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 5 CYT NU2:  (5 RU C1')-(5 RU C2')-(5 RU C3')-(5 RU C4') -38.5  -6.7
 &rst     iat =   144,   159,   157,   141,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 5 CYT NU3:  (5 RU C2')-(5 RU C3')-(5 RU C4')-(5 RU O4') -16.9  38.5
 &rst     iat =   159,   157,   141,   143,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 5 CYT NU4:  (5 RU C3')-(5 RU C4')-(5 RU O4')-(5 RU C1') -37.6  34.0
 &rst     iat =   157,   141,   143,   144,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 6 CYT NU0:  (6 RC C4')-(6 RC O4')-(6 RC C1')-(6 RC C2') -38.1  37.7
 &rst     iat =   171,   173,   174,   190,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 6 CYT NU1:  (6 RC O4')-(6 RC C1')-(6 RC C2')-(6 RC C3') -38.5  27.7
 &rst     iat =   173,   174,   190,   188,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 6 CYT NU2:  (6 RC C1')-(6 RC C2')-(6 RC C3')-(6 RC C4')  -6.7  38.5
 &rst     iat =   174,   190,   188,   171,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 6 CYT NU3:  (6 RC C2')-(6 RC C3')-(6 RC C4')-(6 RC O4') -38.5   4.0
 &rst     iat =   190,   188,   171,   173,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 6 CYT NU4:  (6 RC C3')-(6 RC C4')-(6 RC O4')-(6 RC C1') -25.8  38.5
 &rst     iat =   188,   171,   173,   174,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 7 GUA NU0:  (7 RG C4')-(7 RG O4')-(7 RG C1')-(7 RG C2') -38.1  37.7
 &rst     iat =   202,   204,   205,   224,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 7 GUA NU1:  (7 RG O4')-(7 RG C1')-(7 RG C2')-(7 RG C3') -38.5  27.7
 &rst     iat =   204,   205,   224,   222,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 7 GUA NU2:  (7 RG C1')-(7 RG C2')-(7 RG C3')-(7 RG C4')  -6.7  38.5
 &rst     iat =   205,   224,   222,   202,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 7 GUA NU3:  (7 RG C2')-(7 RG C3')-(7 RG C4')-(7 RG O4') -38.5   4.0
 &rst     iat =   224,   222,   202,   204,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 7 GUA NU4:  (7 RG C3')-(7 RG C4')-(7 RG O4')-(7 RG C1') -25.8  38.5
 &rst     iat =   222,   202,   204,   205,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 8 GUA NU0:  (8 RG C4')-(8 RG O4')-(8 RG C1')-(8 RG C2') -38.5  25.8
 &rst     iat =   236,   238,   239,   258,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 8 GUA NU1:  (8 RG O4')-(8 RG C1')-(8 RG C2')-(8 RG C3')  -4.0  38.5
 &rst     iat =   238,   239,   258,   256,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 8 GUA NU2:  (8 RG C1')-(8 RG C2')-(8 RG C3')-(8 RG C4') -38.5  -6.7
 &rst     iat =   239,   258,   256,   236,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 8 GUA NU3:  (8 RG C2')-(8 RG C3')-(8 RG C4')-(8 RG O4') -16.9  38.5
 &rst     iat =   258,   256,   236,   238,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 8 GUA NU4:  (8 RG C3')-(8 RG C4')-(8 RG O4')-(8 RG C1') -37.6  34.0
 &rst     iat =   256,   236,   238,   239,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 9 GUA NU0:  (9 RG C4')-(9 RG O4')-(9 RG C1')-(9 RG C2') -38.5  25.8
 &rst     iat =   270,   272,   273,   292,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 9 GUA NU1:  (9 RG O4')-(9 RG C1')-(9 RG C2')-(9 RG C3')  -4.0  38.5
 &rst     iat =   272,   273,   292,   290,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 9 GUA NU2:  (9 RG C1')-(9 RG C2')-(9 RG C3')-(9 RG C4') -38.5  -6.7
 &rst     iat =   273,   292,   290,   270,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 9 GUA NU3:  (9 RG C2')-(9 RG C3')-(9 RG C4')-(9 RG O4') -16.9  38.5
 &rst     iat =   292,   290,   270,   272,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 9 GUA NU4:  (9 RG C3')-(9 RG C4')-(9 RG O4')-(9 RG C1') -37.6  34.0
 &rst     iat =   290,   270,   272,   273,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 10 ADE NU0:  (10 RA C4')-(10 RA O4')-(10 RA C1')-(10 RA C2') -38.5  25.8
 &rst     iat =   304,   306,   307,   325,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 10 ADE NU1:  (10 RA O4')-(10 RA C1')-(10 RA C2')-(10 RA C3')  -4.0  38.5
 &rst     iat =   306,   307,   325,   323,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 10 ADE NU2:  (10 RA C1')-(10 RA C2')-(10 RA C3')-(10 RA C4') -38.5  -6.7
 &rst     iat =   307,   325,   323,   304,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 10 ADE NU3:  (10 RA C2')-(10 RA C3')-(10 RA C4')-(10 RA O4') -16.9  38.5
 &rst     iat =   325,   323,   304,   306,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 10 ADE NU4:  (10 RA C3')-(10 RA C4')-(10 RA O4')-(10 RA C1') -37.6  34.0
 &rst     iat =   323,   304,   306,   307,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 11 CYT NU0:  (11 RU C4')-(11 RU O4')-(11 RU C1')-(11 RU C2') -38.5  25.8
 &rst     iat =   337,   339,   340,   355,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 11 CYT NU1:  (11 RU O4')-(11 RU C1')-(11 RU C2')-(11 RU C3')  -4.0  38.5
 &rst     iat =   339,   340,   355,   353,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 11 CYT NU2:  (11 RU C1')-(11 RU C2')-(11 RU C3')-(11 RU C4') -38.5  -6.7
 &rst     iat =   340,   355,   353,   337,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 11 CYT NU3:  (11 RU C2')-(11 RU C3')-(11 RU C4')-(11 RU O4') -16.9  38.5
 &rst     iat =   355,   353,   337,   339,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 11 CYT NU4:  (11 RU C3')-(11 RU C4')-(11 RU O4')-(11 RU C1') -37.6  34.0
 &rst     iat =   353,   337,   339,   340,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 12 GUA NU0:  (12 RG C4')-(12 RG O4')-(12 RG C1')-(12 RG C2') -38.5  25.8
 &rst     iat =   367,   369,   370,   389,
   r1 = -39.5, r2 = -38.5, r3 =  25.8, r4 =  26.8,
 &end

# 12 GUA NU1:  (12 RG O4')-(12 RG C1')-(12 RG C2')-(12 RG C3')  -4.0  38.5
 &rst     iat =   369,   370,   389,   387,
   r1 =  -5.0, r2 =  -4.0, r3 =  38.5, r4 =  39.5,
 &end

# 12 GUA NU2:  (12 RG C1')-(12 RG C2')-(12 RG C3')-(12 RG C4') -38.5  -6.7
 &rst     iat =   370,   389,   387,   367,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
 &end

# 12 GUA NU3:  (12 RG C2')-(12 RG C3')-(12 RG C4')-(12 RG O4') -16.9  38.5
 &rst     iat =   389,   387,   367,   369,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
 &end

# 12 GUA NU4:  (12 RG C3')-(12 RG C4')-(12 RG O4')-(12 RG C1') -37.6  34.0
 &rst     iat =   387,   367,   369,   370,
   r1 = -38.6, r2 = -37.6, r3 =  34.0, r4 =  35.0,
 &end

# 13 GUA NU0:  (13 RG C4')-(13 RG O4')-(13 RG C1')-(13 RG C2') -38.1  37.7
 &rst     iat =   401,   403,   404,   423,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 13 GUA NU1:  (13 RG O4')-(13 RG C1')-(13 RG C2')-(13 RG C3') -38.5  27.7
 &rst     iat =   403,   404,   423,   421,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 13 GUA NU2:  (13 RG C1')-(13 RG C2')-(13 RG C3')-(13 RG C4')  -6.7  38.5
 &rst     iat =   404,   423,   421,   401,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 13 GUA NU3:  (13 RG C2')-(13 RG C3')-(13 RG C4')-(13 RG O4') -38.5   4.0
 &rst     iat =   423,   421,   401,   403,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 13 GUA NU4:  (13 RG C3')-(13 RG C4')-(13 RG O4')-(13 RG C1') -25.8  38.5
 &rst     iat =   421,   401,   403,   404,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 14 ADE NU0:  (14 RA C4')-(14 RA O4')-(14 RA C1')-(14 RA C2') -38.1  37.7
 &rst     iat =   435,   437,   438,   456,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 14 ADE NU1:  (14 RA O4')-(14 RA C1')-(14 RA C2')-(14 RA C3') -38.5  27.7
 &rst     iat =   437,   438,   456,   454,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 14 ADE NU2:  (14 RA C1')-(14 RA C2')-(14 RA C3')-(14 RA C4')  -6.7  38.5
 &rst     iat =   438,   456,   454,   435,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 14 ADE NU3:  (14 RA C2')-(14 RA C3')-(14 RA C4')-(14 RA O4') -38.5   4.0
 &rst     iat =   456,   454,   435,   437,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 14 ADE NU4:  (14 RA C3')-(14 RA C4')-(14 RA O4')-(14 RA C1') -25.8  38.5
 &rst     iat =   454,   435,   437,   438,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 15 CYT NU0:  (15 RU C4')-(15 RU O4')-(15 RU C1')-(15 RU C2') -38.1  37.7
 &rst     iat =   468,   470,   471,   486,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 15 CYT NU1:  (15 RU O4')-(15 RU C1')-(15 RU C2')-(15 RU C3') -38.5  27.7
 &rst     iat =   470,   471,   486,   484,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 15 CYT NU2:  (15 RU C1')-(15 RU C2')-(15 RU C3')-(15 RU C4')  -6.7  38.5
 &rst     iat =   471,   486,   484,   468,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 15 CYT NU3:  (15 RU C2')-(15 RU C3')-(15 RU C4')-(15 RU O4') -38.5   4.0
 &rst     iat =   486,   484,   468,   470,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 15 CYT NU4:  (15 RU C3')-(15 RU C4')-(15 RU O4')-(15 RU C1') -25.8  38.5
 &rst     iat =   484,   468,   470,   471,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 16 CYT NU0:  (16 RC C4')-(16 RC O4')-(16 RC C1')-(16 RC C2') -38.1  37.7
 &rst     iat =   498,   500,   501,   517,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 16 CYT NU1:  (16 RC O4')-(16 RC C1')-(16 RC C2')-(16 RC C3') -38.5  27.7
 &rst     iat =   500,   501,   517,   515,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 16 CYT NU2:  (16 RC C1')-(16 RC C2')-(16 RC C3')-(16 RC C4')  -6.7  38.5
 &rst     iat =   501,   517,   515,   498,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 16 CYT NU3:  (16 RC C2')-(16 RC C3')-(16 RC C4')-(16 RC O4') -38.5   4.0
 &rst     iat =   517,   515,   498,   500,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 16 CYT NU4:  (16 RC C3')-(16 RC C4')-(16 RC O4')-(16 RC C1') -25.8  38.5
 &rst     iat =   515,   498,   500,   501,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 17 CYT NU0:  (17 RU C4')-(17 RU O4')-(17 RU C1')-(17 RU C2') -38.1  37.7
 &rst     iat =   529,   531,   532,   547,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 17 CYT NU1:  (17 RU O4')-(17 RU C1')-(17 RU C2')-(17 RU C3') -38.5  27.7
 &rst     iat =   531,   532,   547,   545,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 17 CYT NU2:  (17 RU C1')-(17 RU C2')-(17 RU C3')-(17 RU C4')  -6.7  38.5
 &rst     iat =   532,   547,   545,   529,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 17 CYT NU3:  (17 RU C2')-(17 RU C3')-(17 RU C4')-(17 RU O4') -38.5   4.0
 &rst     iat =   547,   545,   529,   531,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 17 CYT NU4:  (17 RU C3')-(17 RU C4')-(17 RU O4')-(17 RU C1') -25.8  38.5
 &rst     iat =   545,   529,   531,   532,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end

# 18 CYT NU0:  (18 RC3 C4')-(18 RC3 O4')-(18 RC3 C1')-(18 RC3 C2') -38.1  37.7
 &rst     iat =   559,   561,   562,   578,
   r1 = -39.1, r2 = -38.1, r3 =  37.7, r4 =  38.7,
 &end

# 18 CYT NU1:  (18 RC3 O4')-(18 RC3 C1')-(18 RC3 C2')-(18 RC3 C3') -38.5  27.7
 &rst     iat =   561,   562,   578,   576,
   r1 = -39.5, r2 = -38.5, r3 =  27.7, r4 =  28.7,
 &end

# 18 CYT NU2:  (18 RC3 C1')-(18 RC3 C2')-(18 RC3 C3')-(18 RC3 C4')  -6.7  38.5
 &rst     iat =   562,   578,   576,   559,
   r1 =  -7.7, r2 =  -6.7, r3 =  38.5, r4 =  39.5,
 &end

# 18 CYT NU3:  (18 RC3 C2')-(18 RC3 C3')-(18 RC3 C4')-(18 RC3 O4') -38.5   4.0
 &rst     iat =   578,   576,   559,   561,
   r1 = -39.5, r2 = -38.5, r3 =   4.0, r4 =   5.0,
 &end

# 18 CYT NU4:  (18 RC3 C3')-(18 RC3 C4')-(18 RC3 O4')-(18 RC3 C1') -25.8  38.5
 &rst     iat =   576,   559,   561,   562,
   r1 = -26.8, r2 = -25.8, r3 =  38.5, r4 =  39.5,
 &end



 
  #BOUCLE
#
#   6  CYT  H1'     7  GUA  H1'     5.00  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 206,,  
      r1= 0.0, r2=5.0, r3 = 7.0, r4 = 12.0,
      rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#   6  CYT  H1'     7  GUA  H8      5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 209,  
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 12.0,
   rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#   7  GUA  H1'     8  GUA  H8      6.00  10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 243, 
   r1= 0.0, r2=6.0, r3 = 10.0, r4 = 15.0,
   rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#   8  GUA  H8      9  GUA  H8      4.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 277, 
     r1= 0.0, r2=4.0, r3 = 7.0, r4 = 15.0,
     rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#  10  ADE  H8     11  URA  H6      6.00   10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 344, 
  r1= 0.0, r2=6.0, r3 = 10.0, r4 = 15.0,
  rk2=2.0, rk3=2.0, ir6=1, ialtd=0,
  &end
#
#  11  URA  H1'    12  GUA  H1'     5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 371, 
  r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
  rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#  11  URA  H6     12  GUA  H8      5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 374, 
  r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
  rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#  12  GUA  H2'    13  GUA  H8      6.50  10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 408, 
  r1= 0.0, r2=6.5, r3 = 10.0, r4 = 15.0,
  rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end
#
#  12  GUA  H8     13  GUA  H8      6.50  10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 408,
  r1= 0.0, r2=6.5, r3 = 10.0, r4 = 15.0,
  rk2=10.0, rk3=10.0, ir6=1, ialtd=0,
  &end

  
#TIGE  
#  5  URA  H1'     5  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 148, 
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
       rk2=5.0, rk3=5.0, ir6=1, ialtd=0,
 &end

#   6  CYT  H1'     6  CYT  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 178, 
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end

#  15  URA  H1'    15  URA  H6      3.15   3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 475, 
   r1= 0.0, r2=3.15, r3 = 3.85, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H1'    16  CYT  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 505,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  17  URA  H1'    17  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 536,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  18  CYT  H1'    18  CYT  H6      2.70   3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 566,   
   r1= 0.0, r2=2.7, r3 = 3.3, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   1  GUA  H1'     1  GUA  H8      2.50   4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13,  
   r1= 0.0, r2=2.50, r3 = 4.10, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H1'     2  ADE  H8      3.60   4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  47,  
   r1= 0.0, r2=3.60, r3 = 4.40, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H1'     3  GUA  H8      3.30   4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  80,   
   r1= 0.0, r2=3.3, r3 = 4.10, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H1'     4  GUA  H8      3.00   3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 114,  
   r1= 0.0, r2=3.0, r3 = 3.7, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H1'    13  GUA  H8      3.00   3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 408,   
   r1= 0.0, r2=3.0, r3 = 3.7, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H1'    14  GUA  H8      4.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 442,  
   r1= 0.0, r2=4.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   1  GUA  H4'     1  GUA  H1'     2.50   3.10
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  10,   
   r1= 0.0, r2=2.5, r3 = 3.1, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H4'     3  GUA  H1'     0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77,  
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H4'     4  GUA  H1'     0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 111,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H1'    13  GUA  H8      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 408,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H1'    15  URA  H6      2.85   3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 475,   
   r1= 0.0, r2=2.85, r3 = 3.55, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H1'     3  GUA  H1'    5.00 7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  77,   
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H1'     3  GUA  H8      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  80,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H2'     3  GUA  H8      2.40   3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  80,   
   r1= 0.0, r2=2.4, r3 = 3.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H3'     3  GUA  H8      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  80,  
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   2  ADE  H8      3  GUA  H8      4.70   5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  80,   
   r1= 0.0, r2=4.7, r3 = 5.8, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H1'     4  GUA  H8      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 114,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H2'     4  GUA  H8      2.00 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 114, 
   r1= 0.0, r2=2.0, r3 = 4.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H3'     4  GUA  H8      3.10   3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 114,  
   r1= 0.0, r2=3.1, r3 = 3.8, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   3  GUA  H8      4  GUA  H8      3.75   4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 114, 
   r1= 0.0, r2=3.75, r3 = 4.58, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H1'     5  URA  H1'     5.00 7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 145,   
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H1'     5  URA  H5      5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 150,   
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H1'     5  URA  H6      5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 148,  
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H2'     5  URA  H5      2.90   3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 150,   
   r1= 0.0, r2=2.9, r3 = 3.5, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H2'     5  URA  H6      0.00   3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 148,  
   r1= 0.0, r2=0.0, r3 = 3.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H3'     5  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 148,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H8      5  URA  H5      3.30   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 150,   
   r1= 0.0, r2=3.3, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   4  GUA  H8      5  URA  H6      4.20   6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 148,   
   r1= 0.0, r2=4.2, r3 = 6.4, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   5  URA  H1'     6  CYT  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 178,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   5  URA  H2'     6  CYT  H5      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 180,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   5  URA  H3'     6  CYT  H6      5.00  10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 178,   
   r1= 0.0, r2=5.0, r3 = 10.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#   5  URA  H5      6  CYT  H6      5.00  10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 178, 
   r1= 0.0, r2=5.0, r3 = 10.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H1'    14  GUA  H1'     5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 439,   
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H1'    14  GUA  H8      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 442,   
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H2'    14  GUA  H8      2.30   2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 442,  
   r1= 0.0, r2=2.3, r3 = 2.9, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  13  GUA  H8     14  GUA  H8      4.00  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 442,  
   r1= 0.0, r2=4.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H1'    15  URA  H1'     4.80   5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 472,  
   r1= 0.0, r2=4.8, r3 = 5.8, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H1'    15  URA  H5      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 477, 
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H1'    15  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 475,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H2'    15  URA  H5      2.90   3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 477,   
   r1= 0.0, r2=2.9, r3 = 3.6, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H2'    15  URA  H6      2.00   3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 475,   
   r1= 0.0, r2=2.0, r3 = 3.7, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H3'    15  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 475,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  14  GUA  H8     15  URA  H6      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 475,  
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H1'    16  CYT  H1'     5.00   7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 502,   
   r1= 0.0, r2=5.0, r3 = 7.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H1'    16  CYT  H5      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 507,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H1'    16  CYT  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 505,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H2'    16  CYT  H5      2.47   3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 507,   
   r1= 0.0, r2=2.47, r3 = 3.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H2'    16  CYT  H6      2.05   2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 505,   
   r1= 0.0, r2=2.05, r3 = 2.55, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H3'    16  CYT  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 505,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H5     16  CYT  H6      4.14   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 505,   
   r1= 0.0, r2=4.14, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  15  URA  H6     16  CYT  H6      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 505,   
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H1'    17  URA  H1'     5.40   6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 533,   
   r1= 0.0, r2=5.4, r3 = 6.60, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H1'    17  URA  H5      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 538,   
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H1'    17  URA  H6      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 536,   
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H2'    17  URA  H5      2.40   3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 538,   
   r1= 0.0, r2=2.4, r3 = 3.5, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H2'    17  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 536,   
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H3'    17  URA  H6      0.00   5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 536,  
   r1= 0.0, r2=0.0, r3 = 5.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end
#
#  16  CYT  H5     17  URA  H6      0.00   6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 536,  
   r1= 0.0, r2=0.0, r3 = 6.0, r4 = 15.0,
    ir6=1, ialtd=0,
  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          2H5*        G   1  43.343  39.243  26.549
    2   2H5*    G   1          1H5*        G   1  43.320  39.283  27.372
    3    H4*    G   1           H4*        G   1  45.060  40.600  26.248
    4    H3*    G   1           H3*        G   1  43.901  41.419  28.807
    5    H2*    G   1           H2*        G   1  45.092  43.388  28.586
    6   2HO*    G   1          2HO*        G   1  46.786  42.615  27.400
    7    H1*    G   1           H1*        G   1  44.470  43.724  26.012
    8    H8     G   1           H8         G   1  41.385  42.428  27.509
    9    H1     G   1           H1         G   1  42.442  48.466  29.038
   10   1H2     G   1          1H2         G   1  44.477  48.955  28.529
   11   2H2     G   1          2H2         G   1  45.529  47.809  27.799
   12    H5T    G   1           H5T        G   1  42.199  39.443  26.934
   13   1H5*    A   2          2H5*        A   2  47.948  42.272  29.339
   14   2H5*    A   2          1H5*        A   2  48.383  41.916  30.801
   15    H4*    A   2           H4*        A   2  48.970  44.158  30.250
   16    H3*    A   2           H3*        A   2  46.989  43.820  32.426
   17    H2*    A   2           H2*        A   2  47.167  46.151  32.772
   18   2HO*    A   2          2HO*        A   2  49.181  46.526  31.984
   19    H1*    A   2           H1*        A   2  46.964  46.747  30.164
   20    H8     A   2           H8         A   2  44.707  43.840  30.792
   21   1H6     A   2          1H6         A   2  40.746  48.148  32.813
   22   2H6     A   2          2H6         A   2  40.845  46.484  32.399
   23    H2     A   2           H2         A   2  44.530  49.982  32.322
   24   1H5*    G   3          2H5*        G   3  50.052  46.286  33.973
   25   2H5*    G   3          1H5*        G   3  50.382  45.898  35.622
   26    H4*    G   3           H4*        G   3  49.850  48.240  35.302
   27    H3*    G   3           H3*        G   3  47.927  46.685  36.957
   28    H2*    G   3           H2*        G   3  46.875  48.749  37.469
   29   2HO*    G   3          2HO*        G   3  48.770  50.036  37.146
   30    H1*    G   3           H1*        G   3  46.914  49.654  34.921
   31    H8     G   3           H8         G   3  46.203  45.957  34.906
   32    H1     G   3           H1         G   3  41.188  49.599  36.422
   33   1H2     G   3          1H2         G   3  41.929  51.561  36.998
   34   2H2     G   3          2H2         G   3  43.592  51.972  36.779
   35   1H5*    G   4          2H5*        G   4  48.723  49.953  39.315
   36   2H5*    G   4          1H5*        G   4  49.092  49.484  40.937
   37    H4*    G   4           H4*        G   4  47.266  51.073  40.832
   38    H3*    G   4           H3*        G   4  46.745  48.390  41.895
   39    H2*    G   4           H2*        G   4  44.570  48.801  42.140
   40   2HO*    G   4          2HO*        G   4  44.920  50.566  43.480
   41    H1*    G   4           H1*        G   4  44.438  50.994  40.330
   42    H8     G   4           H8         G   4  44.958  47.578  38.861
   43    H1     G   4           H1         G   4  38.868  49.052  40.110
   44   1H2     G   4          1H2         G   4  38.835  50.913  41.250
   45   2H2     G   4          2H2         G   4  40.304  51.704  41.647
   46   1H5*    U   5          2H5*        U   5  45.641  49.025  46.833
   47   2H5*    U   5          1H5*        U   5  45.246  47.824  45.682
   48    H4*    U   5           H4*        U   5  43.540  50.107  46.523
   49    H3*    U   5           H3*        U   5  43.791  47.710  47.757
   50    H2*    U   5           H2*        U   5  43.425  46.506  45.718
   51   2HO*    U   5          2HO*        U   5  41.271  46.582  47.246
   52    H1*    U   5           H1*        U   5  41.114  48.361  45.392
   53    H3     U   5           H3         U   5  39.242  46.024  42.121
   54    H5     U   5           H5         U   5  43.284  45.461  41.426
   55    H6     U   5           H6         U   5  43.767  46.870  43.311
   56   1H5*    C   6          2H5*        C   6  39.881  50.489  47.929
   57   2H5*    C   6          1H5*        C   6  39.430  50.980  49.529
   58    H4*    C   6           H4*        C   6  37.491  50.293  48.504
   59    H3*    C   6           H3*        C   6  38.461  48.165  50.234
   60    H2*    C   6           H2*        C   6  36.925  46.790  49.482
   61   2HO*    C   6          2HO*        C   6  35.266  48.076  49.879
   62    H1*    C   6           H1*        C   6  36.375  48.134  47.094
   63   1H4     C   6          1H4         C   6  38.255  42.960  44.396
   64   2H4     C   6          2H4         C   6  39.546  42.728  45.504
   65    H5     C   6           H5         C   6  39.916  44.150  47.368
   66    H6     C   6           H6         C   6  39.175  46.165  48.439
   67   1H5*    G   7          2H5*        G   7  34.125  48.909  51.139
   68   2H5*    G   7          1H5*        G   7  33.971  48.845  52.848
   69    H4*    G   7           H4*        G   7  32.317  47.487  51.757
   70    H3*    G   7           H3*        G   7  34.285  46.295  53.544
   71    H2*    G   7           H2*        G   7  33.613  44.132  53.083
   72   2HO*    G   7          2HO*        G   7  31.441  44.495  53.182
   73    H1*    G   7           H1*        G   7  33.136  44.390  50.470
   74    H8     G   7           H8         G   7  36.061  45.297  52.735
   75    H1     G   7           H1         G   7  37.369  41.735  47.769
   76   1H2     G   7          1H2         G   7  35.576  41.444  46.663
   77   2H2     G   7          2H2         G   7  34.123  42.229  47.092
   78   1H5*    G   8          2H5*        G   8  31.385  43.934  57.068
   79   2H5*    G   8          1H5*        G   8  32.953  43.638  56.506
   80    H4*    G   8           H4*        G   8  30.517  42.374  55.464
   81    H3*    G   8           H3*        G   8  31.712  41.672  57.749
   82    H2*    G   8           H2*        G   8  33.798  41.484  56.738
   83   2HO*    G   8          2HO*        G   8  32.666  39.197  57.137
   84    H1*    G   8           H1*        G   8  32.462  39.981  54.639
   85    H8     G   8           H8         G   8  35.674  40.806  55.753
   86    H1     G   8           H1         G   8  35.456  39.895  49.695
   87   1H2     G   8          1H2         G   8  33.452  40.026  49.095
   88   2H2     G   8          2H2         G   8  32.235  40.354  50.192
   89   1H5*    G   9          2H5*        G   9  28.780  39.344  54.847
   90   2H5*    G   9          1H5*        G   9  27.349  38.939  55.596
   91    H4*    G   9           H4*        G   9  27.698  37.168  54.277
   92    H3*    G   9           H3*        G   9  27.807  36.544  56.861
   93    H2*    G   9           H2*        G   9  30.106  36.802  56.963
   94   2HO*    G   9          2HO*        G   9  29.425  34.292  56.654
   95    H1*    G   9           H1*        G   9  30.279  35.285  54.470
   96    H8     G   9           H8         G   9  32.323  36.438  57.006
   97    H1     G   9           H1         G   9  35.143  36.831  51.515
   98   1H2     G   9          1H2         G   9  33.676  36.704  50.015
   99   2H2     G   9          2H2         G   9  32.041  36.630  50.397
  100   1H5*    A  10          2H5*        A  10  26.842  34.848  52.800
  101   2H5*    A  10          1H5*        A  10  25.345  34.094  52.606
  102    H4*    A  10           H4*        A  10  26.748  33.073  51.160
  103    H3*    A  10           H3*        A  10  25.510  31.472  52.954
  104    H2*    A  10           H2*        A  10  27.263  31.456  54.454
  105   2HO*    A  10          2HO*        A  10  27.159  29.343  53.239
  106    H1*    A  10           H1*        A  10  29.147  31.134  52.224
  107    H8     A  10           H8         A  10  28.956  31.289  55.738
  108   1H6     A  10          1H6         A  10  34.698  33.405  55.544
  109   2H6     A  10          2H6         A  10  33.541  32.747  56.593
  110    H2     A  10           H2         A  10  33.095  33.746  51.756
  111   1H5*    U  11          2H5*        U  11  27.144  31.906  48.956
  112   2H5*    U  11          1H5*        U  11  25.870  31.797  47.840
  113    H4*    U  11           H4*        U  11  27.866  31.578  46.697
  114    H3*    U  11           H3*        U  11  25.976  29.554  46.491
  115    H2*    U  11           H2*        U  11  27.146  28.067  47.683
  116   2HO*    U  11          2HO*        U  11  27.637  27.552  45.464
  117    H1*    U  11           H1*        U  11  29.637  29.157  46.607
  118    H3     U  11           H3         U  11  31.869  26.169  48.792
  119    H5     U  11           H5         U  11  29.263  27.404  51.470
  120    H6     U  11           H6         U  11  28.303  28.759  49.855
  121   1H5*    G  12          2H5*        G  12  26.579  33.355  43.596
  122   2H5*    G  12          1H5*        G  12  27.184  33.133  42.071
  123    H4*    G  12           H4*        G  12  28.371  34.712  43.430
  124    H3*    G  12           H3*        G  12  29.491  32.908  41.655
  125    H2*    G  12           H2*        G  12  30.366  31.620  43.339
  126   2HO*    G  12          2HO*        G  12  32.095  33.148  42.464
  127    H1*    G  12           H1*        G  12  30.848  34.103  44.851
  128    H8     G  12           H8         G  12  31.943  30.829  44.863
  129    H1     G  12           H1         G  12  30.655  32.628  50.749
  130   1H2     G  12          1H2         G  12  29.373  34.331  50.677
  131   2H2     G  12          2H2         G  12  28.871  34.984  49.198
  132   1H5*    G  13          2H5*        G  13  29.347  36.913  43.356
  133   2H5*    G  13          1H5*        G  13  28.348  37.601  42.140
  134    H4*    G  13           H4*        G  13  29.042  39.288  43.613
  135    H3*    G  13           H3*        G  13  30.439  39.543  41.012
  136    H2*    G  13           H2*        G  13  31.272  41.566  41.792
  137   2HO*    G  13          2HO*        G  13  29.373  42.397  42.557
  138    H1*    G  13           H1*        G  13  31.321  40.727  44.485
  139    H8     G  13           H8         G  13  33.394  38.566  42.263
  140    H1     G  13           H1         G  13  36.210  43.959  44.188
  141   1H2     G  13          1H2         G  13  34.699  45.264  45.030
  142   2H2     G  13          2H2         G  13  33.056  44.744  45.158
  143   1H5*    A  14          2H5*        A  14  28.745  44.192  39.338
  144   2H5*    A  14          1H5*        A  14  30.240  43.322  39.245
  145    H4*    A  14           H4*        A  14  29.477  45.121  41.504
  146    H3*    A  14           H3*        A  14  31.122  45.569  39.066
  147    H2*    A  14           H2*        A  14  32.579  46.912  40.306
  148   2HO*    A  14          2HO*        A  14  31.140  47.835  41.680
  149    H1*    A  14           H1*        A  14  32.485  45.438  42.615
  150    H8     A  14           H8         A  14  32.954  42.978  39.857
  151   1H6     A  14          1H6         A  14  38.977  44.413  40.413
  152   2H6     A  14          2H6         A  14  37.897  43.282  39.669
  153    H2     A  14           H2         A  14  36.774  47.233  42.703
  154   1H5*    U  15          2H5*        U  15  30.402  49.531  40.664
  155   2H5*    U  15          1H5*        U  15  30.174  50.649  39.353
  156    H4*    U  15           H4*        U  15  32.081  51.259  40.765
  157    H3*    U  15           H3*        U  15  32.672  50.461  37.959
  158    H2*    U  15           H2*        U  15  34.923  50.937  38.327
  159   2HO*    U  15          2HO*        U  15  34.701  52.780  39.537
  160    H1*    U  15           H1*        U  15  35.023  49.994  40.902
  161    H3     U  15           H3         U  15  37.858  47.247  38.777
  162    H5     U  15           H5         U  15  34.183  46.239  37.177
  163    H6     U  15           H6         U  15  33.183  48.062  38.396
  164   1H5*    C  16          2H5*        C  16  34.261  54.666  38.939
  165   2H5*    C  16          1H5*        C  16  34.215  55.567  37.462
  166    H4*    C  16           H4*        C  16  36.397  55.686  38.523
  167    H3*    C  16           H3*        C  16  36.312  54.249  35.925
  168    H2*    C  16           H2*        C  16  38.665  54.125  36.029
  169   2HO*    C  16          2HO*        C  16  38.970  56.041  37.173
  170    H1*    C  16           H1*        C  16  38.766  53.577  38.695
  171   1H4     C  16          1H4         C  16  39.509  48.038  36.046
  172   2H4     C  16          2H4         C  16  37.845  47.922  35.602
  173    H5     C  16           H5         C  16  36.281  49.684  36.032
  174    H6     C  16           H6         C  16  36.074  51.943  36.820
  175   1H5*    U  17          2H5*        U  17  39.353  57.342  35.570
  176   2H5*    U  17          1H5*        U  17  39.222  58.046  34.001
  177    H4*    U  17           H4*        U  17  41.463  57.305  34.421
  178    H3*    U  17           H3*        U  17  40.020  55.783  32.343
  179    H2*    U  17           H2*        U  17  42.043  54.692  31.858
  180   2HO*    U  17          2HO*        U  17  43.380  56.398  32.416
  181    H1*    U  17           H1*        U  17  42.753  54.375  34.444
  182    H3     U  17           H3         U  17  41.950  50.219  33.023
  183    H5     U  17           H5         U  17  38.199  51.781  33.668
  184    H6     U  17           H6         U  17  39.189  53.950  33.925
  185   1H5*    C  18          2H5*        C  18  43.541  57.108  30.400
  186   2H5*    C  18          1H5*        C  18  43.135  57.625  28.827
  187    H4*    C  18           H4*        C  18  44.844  55.959  28.765
  188    H3*    C  18           H3*        C  18  42.272  55.174  27.638
  189    H2*    C  18           H2*        C  18  43.139  53.167  27.060
  190   2HO*    C  18          2HO*        C  18  45.158  53.814  26.543
  191    H1*    C  18           H1*        C  18  44.799  52.891  29.178
  192   1H4     C  18          1H4         C  18  40.191  48.906  29.930
  193   2H4     C  18          2H4         C  18  39.039  50.140  30.254
  194    H5     C  18           H5         C  18  39.614  52.437  30.180
  195    H6     C  18           H6         C  18  41.410  53.969  29.718
  196    H3T    C  18           H3T        C  18  43.701  55.862  26.163
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  43.393  38.550  28.866
    2   2H5*    G   1          2H5*        G   1  42.142  39.765  28.922
    3    H4*    G   1           H4*        G   1  44.585  39.924  27.130
    4    H3*    G   1           H3*        G   1  43.933  41.295  29.871
    5    H2*    G   1           H2*        G   1  44.944  43.107  29.295
    6   2HO*    G   1          2HO*        G   1  46.542  43.486  27.871
    7    H1*    G   1           H1*        G   1  44.010  43.044  26.510
    8    H8     G   1           H8         G   1  40.778  42.219  28.064
    9    H1     G   1           H1         G   1  42.218  48.370  29.572
   10   1H2     G   1          1H2         G   1  44.583  48.718  29.121
   11   2H2     G   1          2H2         G   1  45.487  47.411  28.404
   12    H5T    G   1           H5T        G   1  41.823  37.752  27.345
   13   1H5*    A   2          1H5*        A   2  47.877  41.994  29.770
   14   2H5*    A   2          2H5*        A   2  48.565  41.816  31.378
   15    H4*    A   2           H4*        A   2  49.020  43.959  30.417
   16    H3*    A   2           H3*        A   2  47.268  43.845  32.788
   17    H2*    A   2           H2*        A   2  47.139  46.394  32.901
   18   2HO*    A   2          2HO*        A   2  48.431  47.542  31.378
   19    H1*    A   2           H1*        A   2  46.681  46.600  30.226
   20    H8     A   2           H8         A   2  44.779  43.742  31.781
   21   1H6     A   2          1H6         A   2  40.521  48.110  33.060
   22   2H6     A   2          2H6         A   2  40.704  46.413  32.825
   23    H2     A   2           H2         A   2  44.293  50.122  32.298
   24   1H5*    G   3          1H5*        G   3  49.786  47.184  33.571
   25   2H5*    G   3          2H5*        G   3  50.510  46.969  35.237
   26    H4*    G   3           H4*        G   3  49.799  49.060  35.081
   27    H3*    G   3           H3*        G   3  47.958  47.357  36.913
   28    H2*    G   3           H2*        G   3  47.044  49.477  37.660
   29   2HO*    G   3          2HO*        G   3  49.132  50.414  37.190
   30    H1*    G   3           H1*        G   3  46.665  50.455  35.326
   31    H8     G   3           H8         G   3  46.126  46.709  35.257
   32    H1     G   3           H1         G   3  40.858  50.170  36.363
   33   1H2     G   3          1H2         G   3  41.365  52.193  36.786
   34   2H2     G   3          2H2         G   3  42.990  52.778  36.873
   35   1H5*    G   4          1H5*        G   4  48.801  49.933  39.322
   36   2H5*    G   4          2H5*        G   4  49.201  49.516  41.024
   37    H4*    G   4           H4*        G   4  47.125  50.753  41.233
   38    H3*    G   4           H3*        G   4  47.029  47.672  41.437
   39    H2*    G   4           H2*        G   4  44.742  47.983  42.077
   40   2HO*    G   4          2HO*        G   4  45.219  49.465  43.848
   41    H1*    G   4           H1*        G   4  44.590  50.652  40.805
   42    H8     G   4           H8         G   4  44.661  47.226  39.052
   43    H1     G   4           H1         G   4  38.856  49.785  39.605
   44   1H2     G   4          1H2         G   4  39.133  52.123  40.347
   45   2H2     G   4          2H2         G   4  40.660  52.630  40.801
   46   1H5*    U   5          1H5*        U   5  45.940  46.895  46.663
   47   2H5*    U   5          2H5*        U   5  45.073  46.387  45.190
   48    H4*    U   5           H4*        U   5  44.350  48.840  46.931
   49    H3*    U   5           H3*        U   5  43.547  46.361  47.652
   50    H2*    U   5           H2*        U   5  42.980  45.762  45.430
   51   2HO*    U   5          2HO*        U   5  40.815  46.476  47.057
   52    H1*    U   5           H1*        U   5  41.335  48.218  44.948
   53    H3     U   5           H3         U   5  39.518  46.298  41.525
   54    H5     U   5           H5         U   5  43.398  44.856  41.229
   55    H6     U   5           H6         U   5  44.031  46.173  43.205
   56   1H5*    C   6          1H5*        C   6  40.430  50.032  48.248
   57   2H5*    C   6          2H5*        C   6  40.026  50.384  49.930
   58    H4*    C   6           H4*        C   6  37.940  50.074  48.876
   59    H3*    C   6           H3*        C   6  38.652  47.434  50.127
   60    H2*    C   6           H2*        C   6  36.445  46.737  49.683
   61   2HO*    C   6          2HO*        C   6  35.768  49.270  49.979
   62    H1*    C   6           H1*        C   6  36.539  48.066  47.218
   63   1H4     C   6          1H4         C   6  38.354  42.536  44.841
   64   2H4     C   6          2H4         C   6  39.394  42.142  46.145
   65    H5     C   6           H5         C   6  39.522  43.586  48.216
   66    H6     C   6           H6         C   6  39.016  45.796  49.065
   67   1H5*    G   7          1H5*        G   7  34.602  48.445  51.725
   68   2H5*    G   7          2H5*        G   7  34.583  47.853  53.453
   69    H4*    G   7           H4*        G   7  32.682  46.994  51.890
   70    H3*    G   7           H3*        G   7  34.542  45.521  53.640
   71    H2*    G   7           H2*        G   7  34.143  43.438  52.729
   72   2HO*    G   7          2HO*        G   7  31.853  43.704  53.044
   73    H1*    G   7           H1*        G   7  33.378  44.030  50.138
   74    H8     G   7           H8         G   7  36.501  44.780  52.230
   75    H1     G   7           H1         G   7  36.951  40.540  47.332
   76   1H2     G   7          1H2         G   7  35.082  40.596  46.280
   77   2H2     G   7          2H2         G   7  33.719  41.634  46.613
   78   1H5*    G   8          1H5*        G   8  29.896  44.231  53.361
   79   2H5*    G   8          2H5*        G   8  29.545  44.393  55.069
   80    H4*    G   8           H4*        G   8  28.221  42.602  53.974
   81    H3*    G   8           H3*        G   8  29.398  42.241  56.465
   82    H2*    G   8           H2*        G   8  31.401  41.344  55.678
   83   2HO*    G   8          2HO*        G   8  29.603  39.412  56.300
   84    H1*    G   8           H1*        G   8  30.058  39.674  53.613
   85    H8     G   8           H8         G   8  33.205  41.467  55.062
   86    H1     G   8           H1         G   8  34.155  39.380  49.014
   87   1H2     G   8          1H2         G   8  32.141  38.919  48.063
   88   2H2     G   8          2H2         G   8  30.688  38.910  49.026
   89   1H5*    G   9          1H5*        G   9  26.974  38.507  54.693
   90   2H5*    G   9          2H5*        G   9  26.483  37.338  55.895
   91    H4*    G   9           H4*        G   9  27.528  36.145  54.053
   92    H3*    G   9           H3*        G   9  28.259  36.019  56.853
   93    H2*    G   9           H2*        G   9  30.363  36.908  56.270
   94   2HO*    G   9          2HO*        G   9  31.020  34.243  55.861
   95    H1*    G   9           H1*        G   9  29.962  35.262  53.608
   96    H8     G   9           H8         G   9  32.526  37.271  55.635
   97    H1     G   9           H1         G   9  34.126  36.480  49.416
   98   1H2     G   9          1H2         G   9  32.363  35.539  48.385
   99   2H2     G   9          2H2         G   9  30.825  35.357  49.263
  100   1H5*    A  10          1H5*        A  10  26.913  34.587  52.988
  101   2H5*    A  10          2H5*        A  10  25.346  33.833  53.006
  102    H4*    A  10           H4*        A  10  25.936  32.967  51.149
  103    H3*    A  10           H3*        A  10  25.700  31.074  53.049
  104    H2*    A  10           H2*        A  10  27.821  30.980  53.881
  105   2HO*    A  10          2HO*        A  10  27.367  29.268  51.861
  106    H1*    A  10           H1*        A  10  29.078  31.129  51.244
  107    H8     A  10           H8         A  10  29.243  32.215  54.837
  108   1H6     A  10          1H6         A  10  35.092  33.953  53.536
  109   2H6     A  10          2H6         A  10  33.915  33.787  54.836
  110    H2     A  10           H2         A  10  33.303  32.441  49.856
  111   1H5*    U  11          1H5*        U  11  26.372  32.242  49.048
  112   2H5*    U  11          2H5*        U  11  24.775  32.906  48.639
  113    H4*    U  11           H4*        U  11  26.204  33.024  46.698
  114    H3*    U  11           H3*        U  11  23.935  31.455  46.644
  115    H2*    U  11           H2*        U  11  25.347  29.406  47.166
  116   2HO*    U  11          2HO*        U  11  23.963  29.182  45.092
  117    H1*    U  11           H1*        U  11  27.093  30.352  44.918
  118    H3     U  11           H3         U  11  29.386  26.570  45.050
  119    H5     U  11           H5         U  11  28.675  27.300  49.068
  120    H6     U  11           H6         U  11  27.280  29.043  48.499
  121   1H5*    G  12          1H5*        G  12  25.892  34.450  42.394
  122   2H5*    G  12          2H5*        G  12  26.507  32.890  42.680
  123    H4*    G  12           H4*        G  12  27.998  35.490  42.610
  124    H3*    G  12           H3*        G  12  28.052  33.414  40.663
  125    H2*    G  12           H2*        G  12  28.563  31.677  42.306
  126   2HO*    G  12          2HO*        G  12  29.926  31.310  40.648
  127    H1*    G  12           H1*        G  12  30.603  33.557  43.292
  128    H8     G  12           H8         G  12  30.434  30.280  43.495
  129    H1     G  12           H1         G  12  30.041  32.138  49.648
  130   1H2     G  12          1H2         G  12  28.763  33.931  49.719
  131   2H2     G  12          2H2         G  12  28.270  34.610  48.249
  132   1H5*    G  13          1H5*        G  13  29.830  36.708  42.696
  133   2H5*    G  13          2H5*        G  13  28.607  37.718  41.828
  134    H4*    G  13           H4*        G  13  29.619  39.074  43.402
  135    H3*    G  13           H3*        G  13  30.771  39.594  40.585
  136    H2*    G  13           H2*        G  13  31.802  41.460  41.561
  137   2HO*    G  13          2HO*        G  13  30.134  42.381  42.587
  138    H1*    G  13           H1*        G  13  31.856  40.195  44.201
  139    H8     G  13           H8         G  13  33.922  38.484  41.687
  140    H1     G  13           H1         G  13  36.521  43.620  44.541
  141   1H2     G  13          1H2         G  13  34.908  44.837  45.352
  142   2H2     G  13          2H2         G  13  33.321  44.164  45.411
  143   1H5*    A  14          1H5*        A  14  29.149  44.052  39.275
  144   2H5*    A  14          2H5*        A  14  30.666  43.397  39.536
  145    H4*    A  14           H4*        A  14  29.361  45.226  41.558
  146    H3*    A  14           H3*        A  14  31.217  45.737  39.335
  147    H2*    A  14           H2*        A  14  32.595  47.231  40.752
  148   2HO*    A  14          2HO*        A  14  30.423  47.651  41.992
  149    H1*    A  14           H1*        A  14  32.736  45.657  42.936
  150    H8     A  14           H8         A  14  32.870  43.061  40.338
  151   1H6     A  14          1H6         A  14  38.943  44.126  40.520
  152   2H6     A  14          2H6         A  14  37.650  43.121  39.870
  153    H2     A  14           H2         A  14  37.142  47.537  42.366
  154   1H5*    U  15          1H5*        U  15  30.287  49.876  40.984
  155   2H5*    U  15          2H5*        U  15  29.587  50.679  39.635
  156    H4*    U  15           H4*        U  15  31.645  51.779  40.745
  157    H3*    U  15           H3*        U  15  32.303  50.526  38.108
  158    H2*    U  15           H2*        U  15  34.467  51.159  38.113
  159   2HO*    U  15          2HO*        U  15  33.670  53.271  39.256
  160    H1*    U  15           H1*        U  15  34.767  50.727  40.742
  161    H3     U  15           H3         U  15  37.515  47.967  38.177
  162    H5     U  15           H5         U  15  33.838  46.220  37.933
  163    H6     U  15           H6         U  15  32.848  48.240  38.889
  164   1H5*    C  16          1H5*        C  16  33.369  54.886  38.109
  165   2H5*    C  16          2H5*        C  16  33.539  55.618  36.434
  166    H4*    C  16           H4*        C  16  35.535  56.020  37.850
  167    H3*    C  16           H3*        C  16  35.826  54.394  35.409
  168    H2*    C  16           H2*        C  16  38.056  54.366  35.559
  169   2HO*    C  16          2HO*        C  16  39.220  55.517  37.210
  170    H1*    C  16           H1*        C  16  38.087  54.104  38.394
  171   1H4     C  16          1H4         C  16  39.389  48.434  36.100
  172   2H4     C  16          2H4         C  16  37.750  48.233  35.426
  173    H5     C  16           H5         C  16  36.008  49.688  35.890
  174    H6     C  16           H6         C  16  35.556  52.043  36.538
  175   1H5*    U  17          1H5*        U  17  39.225  57.270  35.226
  176   2H5*    U  17          2H5*        U  17  39.186  58.037  33.602
  177    H4*    U  17           H4*        U  17  41.361  57.357  34.039
  178    H3*    U  17           H3*        U  17  39.915  55.807  32.015
  179    H2*    U  17           H2*        U  17  42.080  54.885  31.373
  180   2HO*    U  17          2HO*        U  17  43.204  56.911  32.299
  181    H1*    U  17           H1*        U  17  42.695  54.264  34.095
  182    H3     U  17           H3         U  17  41.729  50.144  32.839
  183    H5     U  17           H5         U  17  38.039  52.055  33.048
  184    H6     U  17           H6         U  17  39.059  54.099  33.200
  185   1H5*    C  18          1H5*        C  18  43.852  57.233  30.225
  186   2H5*    C  18          2H5*        C  18  43.488  57.713  28.533
  187    H4*    C  18           H4*        C  18  45.301  56.032  28.727
  188    H3*    C  18           H3*        C  18  42.733  55.084  27.473
  189    H2*    C  18           H2*        C  18  44.276  52.914  26.867
  190   2HO*    C  18          2HO*        C  18  46.148  54.188  26.557
  191    H1*    C  18           H1*        C  18  45.182  52.858  29.255
  192   1H4     C  18          1H4         C  18  40.290  49.001  29.905
  193   2H4     C  18          2H4         C  18  39.143  50.277  30.232
  194    H5     C  18           H5         C  18  39.824  52.614  29.803
  195    H6     C  18           H6         C  18  41.664  54.085  29.249
  196    H3T    C  18           H3T        C  18  43.921  55.117  25.507
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  43.421  39.734  26.829
    2   2H5*    G   1          2H5*        G   1  42.189  40.973  26.666
    3    H4*    G   1           H4*        G   1  44.932  41.100  25.495
    4    H3*    G   1           H3*        G   1  43.911  41.924  28.209
    5    H2*    G   1           H2*        G   1  45.189  43.916  28.029
    6   2HO*    G   1          2HO*        G   1  46.840  42.479  26.740
    7    H1*    G   1           H1*        G   1  44.560  44.498  25.405
    8    H8     G   1           H8         G   1  41.520  43.074  26.736
    9    H1     G   1           H1         G   1  42.647  48.893  29.000
   10   1H2     G   1          1H2         G   1  44.693  49.381  28.855
   11   2H2     G   1          2H2         G   1  45.946  48.354  28.288
   12    H5T    G   1           H5T        G   1  42.157  39.326  24.864
   13   1H5*    A   2          1H5*        A   2  47.685  42.992  28.656
   14   2H5*    A   2          2H5*        A   2  48.290  42.417  30.239
   15    H4*    A   2           H4*        A   2  48.702  44.707  29.736
   16    H3*    A   2           H3*        A   2  47.085  44.008  32.149
   17    H2*    A   2           H2*        A   2  47.025  46.326  32.751
   18   2HO*    A   2          2HO*        A   2  49.374  46.488  31.568
   19    H1*    A   2           H1*        A   2  46.737  47.360  30.381
   20    H8     A   2           H8         A   2  44.609  44.083  30.742
   21   1H6     A   2          1H6         A   2  40.332  48.219  33.005
   22   2H6     A   2          2H6         A   2  40.449  46.571  32.330
   23    H2     A   2           H2         A   2  44.124  50.134  32.668
   24   1H5*    G   3          1H5*        G   3  50.107  46.482  33.860
   25   2H5*    G   3          2H5*        G   3  50.644  45.796  35.331
   26    H4*    G   3           H4*        G   3  49.769  47.856  35.665
   27    H3*    G   3           H3*        G   3  47.926  45.953  36.972
   28    H2*    G   3           H2*        G   3  46.941  47.854  38.099
   29   2HO*    G   3          2HO*        G   3  47.547  49.893  37.770
   30    H1*    G   3           H1*        G   3  46.698  49.276  35.696
   31    H8     G   3           H8         G   3  46.125  45.595  34.873
   32    H1     G   3           H1         G   3  41.009  48.901  37.052
   33   1H2     G   3          1H2         G   3  41.533  50.686  37.789
   34   2H2     G   3          2H2         G   3  43.204  51.312  37.676
   35   1H5*    G   4          1H5*        G   4  49.180  48.947  39.680
   36   2H5*    G   4          2H5*        G   4  49.692  48.326  41.268
   37    H4*    G   4           H4*        G   4  47.945  50.100  41.499
   38    H3*    G   4           H3*        G   4  47.125  47.437  42.436
   39    H2*    G   4           H2*        G   4  44.997  48.361  42.707
   40   2HO*    G   4          2HO*        G   4  45.877  50.234  44.063
   41    H1*    G   4           H1*        G   4  45.095  50.477  40.856
   42    H8     G   4           H8         G   4  45.480  47.042  39.543
   43    H1     G   4           H1         G   4  39.395  49.157  40.672
   44   1H2     G   4          1H2         G   4  39.747  51.426  41.173
   45   2H2     G   4          2H2         G   4  41.455  51.896  41.570
   46   1H5*    U   5          1H5*        U   5  46.083  48.791  47.517
   47   2H5*    U   5          2H5*        U   5  45.696  47.562  46.433
   48    H4*    U   5           H4*        U   5  43.970  50.130  46.565
   49    H3*    U   5           H3*        U   5  43.781  47.940  48.318
   50    H2*    U   5           H2*        U   5  43.547  46.398  46.438
   51   2HO*    U   5          2HO*        U   5  41.303  46.965  47.881
   52    H1*    U   5           H1*        U   5  41.575  48.552  45.495
   53    H3     U   5           H3         U   5  39.658  46.032  42.363
   54    H5     U   5           H5         U   5  43.607  44.740  42.187
   55    H6     U   5           H6         U   5  44.164  46.330  43.963
   56   1H5*    C   6          1H5*        C   6  40.248  50.446  47.192
   57   2H5*    C   6          2H5*        C   6  39.989  51.791  48.307
   58    H4*    C   6           H4*        C   6  37.888  51.639  47.534
   59    H3*    C   6           H3*        C   6  37.956  49.469  49.518
   60    H2*    C   6           H2*        C   6  36.023  48.317  48.841
   61   2HO*    C   6          2HO*        C   6  34.693  49.774  48.794
   62    H1*    C   6           H1*        C   6  36.240  49.170  46.110
   63   1H4     C   6          1H4         C   6  37.373  43.001  45.725
   64   2H4     C   6          2H4         C   6  38.643  43.070  46.913
   65    H5     C   6           H5         C   6  39.294  45.087  48.011
   66    H6     C   6           H6         C   6  38.971  47.556  47.996
   67   1H5*    G   7          1H5*        G   7  33.905  51.313  49.616
   68   2H5*    G   7          2H5*        G   7  33.384  51.708  51.354
   69    H4*    G   7           H4*        G   7  31.573  50.433  50.251
   70    H3*    G   7           H3*        G   7  33.127  49.076  52.390
   71    H2*    G   7           H2*        G   7  31.581  47.217  52.206
   72   2HO*    G   7          2HO*        G   7  29.647  48.041  51.819
   73    H1*    G   7           H1*        G   7  31.771  47.058  49.482
   74    H8     G   7           H8         G   7  34.645  47.937  52.183
   75    H1     G   7           H1         G   7  35.131  42.402  48.817
   76   1H2     G   7          1H2         G   7  33.628  42.239  47.478
   77   2H2     G   7          2H2         G   7  32.708  43.630  46.916
   78   1H5*    G   8          1H5*        G   8  28.497  49.607  52.059
   79   2H5*    G   8          2H5*        G   8  27.837  50.077  53.705
   80    H4*    G   8           H4*        G   8  26.419  48.400  52.505
   81    H3*    G   8           H3*        G   8  27.211  48.189  55.259
   82    H2*    G   8           H2*        G   8  28.665  46.570  54.791
   83   2HO*    G   8          2HO*        G   8  26.311  45.161  55.374
   84    H1*    G   8           H1*        G   8  26.780  45.308  52.719
   85    H8     G   8           H8         G   8  29.930  44.852  54.540
   86    H1     G   8           H1         G   8  30.215  42.558  48.606
   87   1H2     G   8          1H2         G   8  28.072  43.051  47.595
   88   2H2     G   8          2H2         G   8  27.008  44.100  48.370
   89   1H5*    G   9          1H5*        G   9  24.432  45.318  53.422
   90   2H5*    G   9          2H5*        G   9  22.927  44.931  54.249
   91    H4*    G   9           H4*        G   9  24.143  42.944  53.160
   92    H3*    G   9           H3*        G   9  22.936  42.821  55.777
   93    H2*    G   9           H2*        G   9  25.323  43.269  56.771
   94   2HO*    G   9          2HO*        G   9  25.336  40.522  56.658
   95    H1*    G   9           H1*        G   9  25.863  41.300  54.682
   96    H8     G   9           H8         G   9  27.730  43.223  57.367
   97    H1     G   9           H1         G   9  31.266  40.131  52.854
   98   1H2     G   9          1H2         G   9  30.073  39.909  51.026
   99   2H2     G   9          2H2         G   9  28.328  40.028  51.162
  100   1H5*    A  10          1H5*        A  10  23.883  40.979  51.825
  101   2H5*    A  10          2H5*        A  10  22.355  40.485  50.968
  102    H4*    A  10           H4*        A  10  23.969  39.388  49.881
  103    H3*    A  10           H3*        A  10  22.093  37.934  50.985
  104    H2*    A  10           H2*        A  10  23.090  37.469  53.089
  105   2HO*    A  10          2HO*        A  10  22.828  35.513  51.939
  106    H1*    A  10           H1*        A  10  25.800  36.949  51.759
  107    H8     A  10           H8         A  10  24.043  38.680  54.701
  108   1H6     A  10          1H6         A  10  29.838  38.709  57.018
  109   2H6     A  10          2H6         A  10  28.225  39.151  57.499
  110    H2     A  10           H2         A  10  30.114  37.244  53.092
  111   1H5*    U  11          1H5*        U  11  24.644  36.366  47.189
  112   2H5*    U  11          2H5*        U  11  23.363  35.706  46.159
  113    H4*    U  11           H4*        U  11  25.544  34.609  45.664
  114    H3*    U  11           H3*        U  11  23.255  33.038  46.241
  115    H2*    U  11           H2*        U  11  24.063  32.702  48.698
  116   2HO*    U  11          2HO*        U  11  24.448  30.657  48.657
  117    H1*    U  11           H1*        U  11  26.646  32.470  47.453
  118    H3     U  11           H3         U  11  27.863  30.536  51.238
  119    H5     U  11           H5         U  11  25.777  33.905  52.587
  120    H6     U  11           H6         U  11  25.347  34.493  50.331
  121   1H5*    G  12          1H5*        G  12  27.616  32.845  42.455
  122   2H5*    G  12          2H5*        G  12  27.659  32.307  44.151
  123    H4*    G  12           H4*        G  12  28.055  35.073  43.256
  124    H3*    G  12           H3*        G  12  29.750  33.103  42.704
  125    H2*    G  12           H2*        G  12  29.835  32.456  44.949
  126   2HO*    G  12          2HO*        G  12  31.980  33.697  44.091
  127    H1*    G  12           H1*        G  12  30.321  35.465  45.469
  128    H8     G  12           H8         G  12  31.450  32.656  47.235
  129    H1     G  12           H1         G  12  28.286  36.603  51.278
  130   1H2     G  12          1H2         G  12  26.867  38.037  50.173
  131   2H2     G  12          2H2         G  12  26.854  37.739  48.405
  132   1H5*    G  13          1H5*        G  13  29.148  36.807  43.798
  133   2H5*    G  13          2H5*        G  13  28.359  37.318  42.300
  134    H4*    G  13           H4*        G  13  28.325  39.209  43.813
  135    H3*    G  13           H3*        G  13  30.242  39.492  41.506
  136    H2*    G  13           H2*        G  13  30.451  41.760  42.243
  137   2HO*    G  13          2HO*        G  13  28.122  41.661  42.743
  138    H1*    G  13           H1*        G  13  30.460  41.028  45.041
  139    H8     G  13           H8         G  13  32.436  38.887  42.605
  140    H1     G  13           H1         G  13  35.300  44.247  44.740
  141   1H2     G  13          1H2         G  13  33.855  45.732  45.195
  142   2H2     G  13          2H2         G  13  32.133  45.398  45.104
  143   1H5*    A  14          1H5*        A  14  28.817  43.736  39.209
  144   2H5*    A  14          2H5*        A  14  30.372  42.760  39.047
  145    H4*    A  14           H4*        A  14  29.566  44.673  41.265
  146    H3*    A  14           H3*        A  14  31.423  45.140  38.918
  147    H2*    A  14           H2*        A  14  32.886  46.292  40.140
  148   2HO*    A  14          2HO*        A  14  31.468  47.760  40.628
  149    H1*    A  14           H1*        A  14  32.583  45.189  42.550
  150    H8     A  14           H8         A  14  33.220  42.337  40.243
  151   1H6     A  14          1H6         A  14  39.244  43.925  41.383
  152   2H6     A  14          2H6         A  14  38.291  42.546  41.074
  153    H2     A  14           H2         A  14  36.889  47.135  42.467
  154   1H5*    U  15          1H5*        U  15  30.434  49.349  40.440
  155   2H5*    U  15          2H5*        U  15  30.417  50.161  38.836
  156    H4*    U  15           H4*        U  15  32.209  51.116  40.550
  157    H3*    U  15           H3*        U  15  32.873  50.187  37.713
  158    H2*    U  15           H2*        U  15  35.028  50.704  38.061
  159   2HO*    U  15          2HO*        U  15  34.998  52.652  39.044
  160    H1*    U  15           H1*        U  15  35.152  49.979  40.836
  161    H3     U  15           H3         U  15  38.200  47.230  39.622
  162    H5     U  15           H5         U  15  34.783  45.822  37.478
  163    H6     U  15           H6         U  15  33.684  47.895  38.217
  164   1H5*    C  16          1H5*        C  16  33.983  54.109  38.350
  165   2H5*    C  16          2H5*        C  16  33.884  55.054  36.819
  166    H4*    C  16           H4*        C  16  35.952  55.460  38.052
  167    H3*    C  16           H3*        C  16  36.254  54.072  35.346
  168    H2*    C  16           H2*        C  16  38.607  53.701  35.781
  169   2HO*    C  16          2HO*        C  16  38.519  56.067  36.600
  170    H1*    C  16           H1*        C  16  38.348  53.456  38.618
  171   1H4     C  16          1H4         C  16  39.373  47.528  36.715
  172   2H4     C  16          2H4         C  16  37.817  47.482  36.058
  173    H5     C  16           H5         C  16  36.361  49.327  35.833
  174    H6     C  16           H6         C  16  36.063  51.732  36.211
  175   1H5*    U  17          1H5*        U  17  39.296  57.421  35.408
  176   2H5*    U  17          2H5*        U  17  39.067  58.126  33.920
  177    H4*    U  17           H4*        U  17  41.444  57.348  34.328
  178    H3*    U  17           H3*        U  17  39.898  55.808  32.046
  179    H2*    U  17           H2*        U  17  41.946  54.695  31.533
  180   2HO*    U  17          2HO*        U  17  43.668  55.932  31.591
  181    H1*    U  17           H1*        U  17  42.578  54.435  34.264
  182    H3     U  17           H3         U  17  41.569  50.076  33.625
  183    H5     U  17           H5         U  17  37.893  51.962  33.641
  184    H6     U  17           H6         U  17  38.984  54.051  33.723
  185   1H5*    C  18          1H5*        C  18  42.898  58.183  29.688
  186   2H5*    C  18          2H5*        C  18  42.482  58.081  28.069
  187    H4*    C  18           H4*        C  18  44.573  56.942  28.649
  188    H3*    C  18           H3*        C  18  42.257  55.448  27.285
  189    H2*    C  18           H2*        C  18  43.533  53.527  27.022
  190   2HO*    C  18          2HO*        C  18  45.951  54.291  28.043
  191    H1*    C  18           H1*        C  18  44.867  53.625  29.403
  192   1H4     C  18          1H4         C  18  40.716  49.278  30.253
  193   2H4     C  18          2H4         C  18  39.382  50.486  30.274
  194    H5     C  18           H5         C  18  39.614  52.604  29.648
  195    H6     C  18           H6         C  18  41.328  54.453  29.197
  196    H3T    C  18           H3T        C  18  44.567  56.355  25.874
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  42.921  38.903  27.014
    2   2H5*    G   1          2H5*        G   1  41.936  40.300  26.632
    3    H4*    G   1           H4*        G   1  44.688  40.335  25.663
    4    H3*    G   1           H3*        G   1  43.405  41.187  28.307
    5    H2*    G   1           H2*        G   1  44.489  43.341  28.147
    6   2HO*    G   1          2HO*        G   1  46.512  42.219  27.222
    7    H1*    G   1           H1*        G   1  44.101  43.640  25.343
    8    H8     G   1           H8         G   1  40.870  42.228  26.753
    9    H1     G   1           H1         G   1  41.924  48.229  28.840
   10   1H2     G   1          1H2         G   1  43.870  48.848  28.270
   11   2H2     G   1          2H2         G   1  45.084  47.730  27.683
   12    H5T    G   1           H5T        G   1  41.701  38.517  25.090
   13   1H5*    A   2          1H5*        A   2  47.923  42.580  28.719
   14   2H5*    A   2          2H5*        A   2  48.162  42.102  30.385
   15    H4*    A   2           H4*        A   2  48.643  44.415  29.803
   16    H3*    A   2           H3*        A   2  46.946  43.381  32.075
   17    H2*    A   2           H2*        A   2  46.835  45.812  32.881
   18   2HO*    A   2          2HO*        A   2  48.373  47.246  32.424
   19    H1*    A   2           H1*        A   2  46.774  46.969  30.498
   20    H8     A   2           H8         A   2  44.366  44.048  30.467
   21   1H6     A   2          1H6         A   2  40.370  48.309  32.787
   22   2H6     A   2          2H6         A   2  40.292  46.712  32.082
   23    H2     A   2           H2         A   2  44.348  49.864  33.130
   24   1H5*    G   3          1H5*        G   3  50.140  46.196  33.969
   25   2H5*    G   3          2H5*        G   3  50.476  45.566  35.586
   26    H4*    G   3           H4*        G   3  49.889  47.992  35.501
   27    H3*    G   3           H3*        G   3  47.791  46.462  36.889
   28    H2*    G   3           H2*        G   3  46.984  48.703  37.670
   29   2HO*    G   3          2HO*        G   3  48.094  50.551  36.821
   30    H1*    G   3           H1*        G   3  47.222  49.551  34.923
   31    H8     G   3           H8         G   3  46.077  45.925  35.087
   32    H1     G   3           H1         G   3  41.294  49.789  36.570
   33   1H2     G   3          1H2         G   3  41.978  51.675  37.254
   34   2H2     G   3          2H2         G   3  43.749  52.035  37.151
   35   1H5*    G   4          1H5*        G   4  48.810  49.421  39.200
   36   2H5*    G   4          2H5*        G   4  49.120  48.861  40.853
   37    H4*    G   4           H4*        G   4  47.880  50.671  40.864
   38    H3*    G   4           H3*        G   4  46.646  48.105  41.742
   39    H2*    G   4           H2*        G   4  44.595  48.917  42.114
   40   2HO*    G   4          2HO*        G   4  45.408  50.537  43.531
   41    H1*    G   4           H1*        G   4  44.732  51.118  40.335
   42    H8     G   4           H8         G   4  45.159  47.554  39.289
   43    H1     G   4           H1         G   4  39.075  49.348  40.134
   44   1H2     G   4          1H2         G   4  39.189  51.534  40.978
   45   2H2     G   4          2H2         G   4  40.807  52.278  41.192
   46   1H5*    U   5          1H5*        U   5  45.516  48.802  46.754
   47   2H5*    U   5          2H5*        U   5  44.828  47.676  45.413
   48    H4*    U   5           H4*        U   5  43.742  50.323  46.472
   49    H3*    U   5           H3*        U   5  43.669  47.992  47.819
   50    H2*    U   5           H2*        U   5  43.225  46.721  45.790
   51   2HO*    U   5          2HO*        U   5  40.865  47.279  47.218
   52    H1*    U   5           H1*        U   5  40.867  48.510  45.318
   53    H3     U   5           H3         U   5  39.367  45.720  42.072
   54    H5     U   5           H5         U   5  43.413  45.578  41.505
   55    H6     U   5           H6         U   5  43.793  47.139  43.392
   56   1H5*    C   6          1H5*        C   6  39.916  51.200  47.632
   57   2H5*    C   6          2H5*        C   6  39.589  51.925  49.233
   58    H4*    C   6           H4*        C   6  37.441  51.525  48.155
   59    H3*    C   6           H3*        C   6  38.055  49.275  49.912
   60    H2*    C   6           H2*        C   6  35.938  48.266  49.213
   61   2HO*    C   6          2HO*        C   6  34.873  50.161  49.480
   62    H1*    C   6           H1*        C   6  36.130  49.197  46.483
   63   1H4     C   6          1H4         C   6  38.103  43.620  44.829
   64   2H4     C   6          2H4         C   6  39.503  43.675  45.888
   65    H5     C   6           H5         C   6  39.517  45.162  47.821
   66    H6     C   6           H6         C   6  38.742  47.445  48.473
   67   1H5*    G   7          1H5*        G   7  33.766  50.884  50.615
   68   2H5*    G   7          2H5*        G   7  33.467  50.868  52.373
   69    H4*    G   7           H4*        G   7  31.635  49.816  51.064
   70    H3*    G   7           H3*        G   7  33.262  47.984  52.846
   71    H2*    G   7           H2*        G   7  32.034  46.079  52.095
   72   2HO*    G   7          2HO*        G   7  29.982  47.057  52.170
   73    H1*    G   7           H1*        G   7  31.752  46.610  49.586
   74    H8     G   7           H8         G   7  35.042  47.287  51.542
   75    H1     G   7           H1         G   7  34.905  42.211  47.501
   76   1H2     G   7          1H2         G   7  32.931  42.246  46.492
   77   2H2     G   7          2H2         G   7  31.756  43.529  46.906
   78   1H5*    G   8          1H5*        G   8  28.494  48.807  52.912
   79   2H5*    G   8          2H5*        G   8  27.988  48.518  54.551
   80    H4*    G   8           H4*        G   8  26.368  47.726  53.084
   81    H3*    G   8           H3*        G   8  26.793  46.788  55.616
   82    H2*    G   8           H2*        G   8  28.533  45.458  55.091
   83   2HO*    G   8          2HO*        G   8  26.271  43.803  55.236
   84    H1*    G   8           H1*        G   8  27.001  44.220  52.791
   85    H8     G   8           H8         G   8  30.215  44.044  54.589
   86    H1     G   8           H1         G   8  30.409  42.413  48.269
   87   1H2     G   8          1H2         G   8  28.628  43.324  47.358
   88   2H2     G   8          2H2         G   8  27.313  43.836  48.435
   89   1H5*    G   9          1H5*        G   9  24.094  43.850  52.489
   90   2H5*    G   9          2H5*        G   9  22.909  43.054  53.607
   91    H4*    G   9           H4*        G   9  24.262  41.584  52.115
   92    H3*    G   9           H3*        G   9  23.180  41.257  54.677
   93    H2*    G   9           H2*        G   9  25.444  41.613  55.755
   94   2HO*    G   9          2HO*        G   9  25.123  38.708  55.169
   95    H1*    G   9           H1*        G   9  26.201  39.905  53.490
   96    H8     G   9           H8         G   9  27.776  41.241  56.627
   97    H1     G   9           H1         G   9  31.905  39.305  52.115
   98   1H2     G   9          1H2         G   9  30.672  39.065  50.250
   99   2H2     G   9          2H2         G   9  28.948  39.525  50.181
  100   1H5*    A  10          1H5*        A  10  24.189  39.367  50.902
  101   2H5*    A  10          2H5*        A  10  22.630  39.401  49.959
  102    H4*    A  10           H4*        A  10  24.365  38.036  48.897
  103    H3*    A  10           H3*        A  10  22.090  36.609  49.538
  104    H2*    A  10           H2*        A  10  22.832  36.046  51.863
  105   2HO*    A  10          2HO*        A  10  22.891  34.184  50.046
  106    H1*    A  10           H1*        A  10  25.457  35.276  50.814
  107    H8     A  10           H8         A  10  23.584  36.144  53.832
  108   1H6     A  10          1H6         A  10  29.116  36.780  56.700
  109   2H6     A  10          2H6         A  10  27.422  36.922  56.925
  110    H2     A  10           H2         A  10  29.919  36.917  52.460
  111   1H5*    U  11          1H5*        U  11  25.537  34.740  46.907
  112   2H5*    U  11          2H5*        U  11  24.671  34.852  45.396
  113    H4*    U  11           H4*        U  11  26.305  33.579  44.834
  114    H3*    U  11           H3*        U  11  23.976  32.238  44.674
  115    H2*    U  11           H2*        U  11  23.900  31.465  46.949
  116   2HO*    U  11          2HO*        U  11  23.707  29.611  45.431
  117    H1*    U  11           H1*        U  11  26.613  30.467  46.469
  118    H3     U  11           H3         U  11  27.584  29.228  50.715
  119    H5     U  11           H5         U  11  24.858  32.304  51.332
  120    H6     U  11           H6         U  11  24.839  32.660  48.883
  121   1H5*    G  12          1H5*        G  12  28.615  32.177  41.663
  122   2H5*    G  12          2H5*        G  12  28.453  31.492  43.351
  123    H4*    G  12           H4*        G  12  28.723  34.473  42.598
  124    H3*    G  12           H3*        G  12  30.658  32.692  42.057
  125    H2*    G  12           H2*        G  12  30.822  31.836  44.246
  126   2HO*    G  12          2HO*        G  12  32.817  32.728  45.191
  127    H1*    G  12           H1*        G  12  30.569  34.648  45.371
  128    H8     G  12           H8         G  12  30.405  31.053  46.297
  129    H1     G  12           H1         G  12  28.039  35.035  50.663
  130   1H2     G  12          1H2         G  12  27.990  37.226  49.638
  131   2H2     G  12          2H2         G  12  28.270  37.265  47.896
  132   1H5*    G  13          1H5*        G  13  29.873  36.528  43.208
  133   2H5*    G  13          2H5*        G  13  28.948  37.152  41.781
  134    H4*    G  13           H4*        G  13  29.268  38.951  43.394
  135    H3*    G  13           H3*        G  13  30.738  39.354  40.862
  136    H2*    G  13           H2*        G  13  31.400  41.386  41.681
  137   2HO*    G  13          2HO*        G  13  29.790  42.477  42.589
  138    H1*    G  13           H1*        G  13  31.609  40.735  44.509
  139    H8     G  13           H8         G  13  34.079  38.363  42.885
  140    H1     G  13           H1         G  13  36.155  44.247  44.568
  141   1H2     G  13          1H2         G  13  34.217  45.645  44.736
  142   2H2     G  13          2H2         G  13  32.685  44.815  44.485
  143   1H5*    A  14          1H5*        A  14  28.955  43.790  39.146
  144   2H5*    A  14          2H5*        A  14  30.499  42.860  39.227
  145    H4*    A  14           H4*        A  14  29.695  44.876  41.315
  146    H3*    A  14           H3*        A  14  31.308  44.931  38.805
  147    H2*    A  14           H2*        A  14  32.960  46.358  39.867
  148   2HO*    A  14          2HO*        A  14  32.273  47.846  40.975
  149    H1*    A  14           H1*        A  14  32.785  45.101  42.286
  150    H8     A  14           H8         A  14  33.340  42.259  39.671
  151   1H6     A  14          1H6         A  14  39.273  44.167  40.381
  152   2H6     A  14          2H6         A  14  38.373  42.867  39.561
  153    H2     A  14           H2         A  14  36.870  46.951  42.332
  154   1H5*    U  15          1H5*        U  15  30.340  49.121  40.318
  155   2H5*    U  15          2H5*        U  15  30.314  50.299  38.987
  156    H4*    U  15           H4*        U  15  32.024  50.829  40.540
  157    H3*    U  15           H3*        U  15  32.822  50.088  37.684
  158    H2*    U  15           H2*        U  15  34.925  50.625  38.021
  159   2HO*    U  15          2HO*        U  15  34.191  52.544  39.402
  160    H1*    U  15           H1*        U  15  35.067  49.843  40.751
  161    H3     U  15           H3         U  15  38.111  47.127  38.672
  162    H5     U  15           H5         U  15  34.573  45.904  36.969
  163    H6     U  15           H6         U  15  33.445  47.725  38.026
  164   1H5*    C  16          1H5*        C  16  34.042  54.503  38.823
  165   2H5*    C  16          2H5*        C  16  33.930  55.504  37.386
  166    H4*    C  16           H4*        C  16  35.963  55.902  38.340
  167    H3*    C  16           H3*        C  16  36.570  54.344  35.952
  168    H2*    C  16           H2*        C  16  38.878  54.691  36.332
  169   2HO*    C  16          2HO*        C  16  38.594  56.823  37.629
  170    H1*    C  16           H1*        C  16  38.650  53.930  39.032
  171   1H4     C  16          1H4         C  16  39.791  48.299  36.367
  172   2H4     C  16          2H4         C  16  38.083  48.251  35.900
  173    H5     C  16           H5         C  16  36.447  49.856  36.289
  174    H6     C  16           H6         C  16  36.155  52.177  37.069
  175   1H5*    U  17          1H5*        U  17  39.356  57.450  36.028
  176   2H5*    U  17          2H5*        U  17  39.533  58.259  34.423
  177    H4*    U  17           H4*        U  17  41.672  57.521  35.020
  178    H3*    U  17           H3*        U  17  40.510  56.007  32.771
  179    H2*    U  17           H2*        U  17  42.395  54.808  32.504
  180   2HO*    U  17          2HO*        U  17  44.170  55.417  33.002
  181    H1*    U  17           H1*        U  17  42.862  54.393  35.155
  182    H3     U  17           H3         U  17  41.746  50.243  33.550
  183    H5     U  17           H5         U  17  38.085  52.161  33.955
  184    H6     U  17           H6         U  17  39.245  54.222  34.345
  185   1H5*    C  18          1H5*        C  18  43.849  56.954  30.963
  186   2H5*    C  18          2H5*        C  18  43.672  57.563  29.361
  187    H4*    C  18           H4*        C  18  45.077  55.409  29.662
  188    H3*    C  18           H3*        C  18  42.649  54.921  27.923
  189    H2*    C  18           H2*        C  18  43.250  52.741  27.810
  190   2HO*    C  18          2HO*        C  18  45.759  53.700  27.546
  191    H1*    C  18           H1*        C  18  44.620  52.519  30.281
  192   1H4     C  18          1H4         C  18  39.657  48.541  29.920
  193   2H4     C  18          2H4         C  18  38.565  49.839  30.174
  194    H5     C  18           H5         C  18  39.322  52.237  30.457
  195    H6     C  18           H6         C  18  41.228  53.675  30.424
  196    H3T    C  18           H3T        C  18  44.620  54.708  26.434
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  43.084  38.843  28.215
    2   2H5*    G   1          2H5*        G   1  41.697  39.980  28.228
    3    H4*    G   1           H4*        G   1  44.453  40.478  26.972
    4    H3*    G   1           H3*        G   1  43.127  41.258  29.528
    5    H2*    G   1           H2*        G   1  44.589  43.399  29.412
    6   2HO*    G   1          2HO*        G   1  46.333  42.039  28.394
    7    H1*    G   1           H1*        G   1  43.773  43.736  26.879
    8    H8     G   1           H8         G   1  40.740  42.382  28.430
    9    H1     G   1           H1         G   1  41.849  48.775  29.311
   10   1H2     G   1          1H2         G   1  43.862  49.222  28.669
   11   2H2     G   1          2H2         G   1  44.914  48.180  27.827
   12    H5T    G   1           H5T        G   1  41.369  39.885  26.145
   13   1H5*    A   2          1H5*        A   2  47.840  41.859  29.734
   14   2H5*    A   2          2H5*        A   2  48.317  41.668  31.398
   15    H4*    A   2           H4*        A   2  49.020  43.843  30.418
   16    H3*    A   2           H3*        A   2  47.257  43.849  32.802
   17    H2*    A   2           H2*        A   2  47.413  46.291  32.770
   18   2HO*    A   2          2HO*        A   2  49.761  45.584  31.552
   19    H1*    A   2           H1*        A   2  47.194  46.576  30.303
   20    H8     A   2           H8         A   2  44.863  43.666  31.292
   21   1H6     A   2          1H6         A   2  40.834  48.006  33.101
   22   2H6     A   2          2H6         A   2  41.046  46.380  32.649
   23    H2     A   2           H2         A   2  44.683  50.022  32.312
   24   1H5*    G   3          1H5*        G   3  50.203  46.542  33.827
   25   2H5*    G   3          2H5*        G   3  50.992  46.216  35.341
   26    H4*    G   3           H4*        G   3  49.787  48.537  35.151
   27    H3*    G   3           H3*        G   3  48.591  46.773  37.238
   28    H2*    G   3           H2*        G   3  47.122  48.693  37.531
   29   2HO*    G   3          2HO*        G   3  49.123  50.121  37.086
   30    H1*    G   3           H1*        G   3  46.926  49.470  34.964
   31    H8     G   3           H8         G   3  46.354  45.660  35.160
   32    H1     G   3           H1         G   3  41.194  49.382  36.206
   33   1H2     G   3          1H2         G   3  41.774  51.450  36.240
   34   2H2     G   3          2H2         G   3  43.387  51.950  35.742
   35   1H5*    G   4          1H5*        G   4  48.723  50.380  39.258
   36   2H5*    G   4          2H5*        G   4  49.227  50.016  40.943
   37    H4*    G   4           H4*        G   4  47.054  50.981  40.974
   38    H3*    G   4           H3*        G   4  46.886  48.030  41.798
   39    H2*    G   4           H2*        G   4  44.577  48.468  42.112
   40   2HO*    G   4          2HO*        G   4  45.102  49.890  43.667
   41    H1*    G   4           H1*        G   4  44.539  50.751  40.383
   42    H8     G   4           H8         G   4  45.134  47.218  39.056
   43    H1     G   4           H1         G   4  38.948  48.715  40.165
   44   1H2     G   4          1H2         G   4  38.730  50.475  40.962
   45   2H2     G   4          2H2         G   4  40.101  51.508  41.466
   46   1H5*    U   5          1H5*        U   5  45.758  47.640  46.402
   47   2H5*    U   5          2H5*        U   5  45.019  47.188  44.797
   48    H4*    U   5           H4*        U   5  43.965  49.505  46.307
   49    H3*    U   5           H3*        U   5  43.766  46.940  47.386
   50    H2*    U   5           H2*        U   5  42.926  45.806  45.363
   51   2HO*    U   5          2HO*        U   5  40.592  46.820  46.726
   52    H1*    U   5           H1*        U   5  41.213  48.322  45.014
   53    H3     U   5           H3         U   5  39.024  45.968  41.895
   54    H5     U   5           H5         U   5  43.043  45.124  41.128
   55    H6     U   5           H6         U   5  43.669  46.623  42.890
   56   1H5*    C   6          1H5*        C   6  40.442  50.434  48.010
   57   2H5*    C   6          2H5*        C   6  40.418  50.878  49.792
   58    H4*    C   6           H4*        C   6  38.226  50.783  48.835
   59    H3*    C   6           H3*        C   6  38.863  48.292  50.379
   60    H2*    C   6           H2*        C   6  36.844  47.375  49.914
   61   2HO*    C   6          2HO*        C   6  35.119  48.672  50.290
   62    H1*    C   6           H1*        C   6  36.328  48.646  47.425
   63   1H4     C   6          1H4         C   6  37.950  43.069  45.172
   64   2H4     C   6          2H4         C   6  39.184  42.711  46.478
   65    H5     C   6           H5         C   6  39.503  44.203  48.197
   66    H6     C   6           H6         C   6  39.185  46.531  48.828
   67   1H5*    G   7          1H5*        G   7  35.194  49.762  52.102
   68   2H5*    G   7          2H5*        G   7  34.786  49.250  53.835
   69    H4*    G   7           H4*        G   7  33.054  48.691  52.349
   70    H3*    G   7           H3*        G   7  34.542  46.761  53.943
   71    H2*    G   7           H2*        G   7  33.263  44.917  53.102
   72   2HO*    G   7          2HO*        G   7  31.226  45.764  53.102
   73    H1*    G   7           H1*        G   7  33.441  45.519  50.567
   74    H8     G   7           H8         G   7  36.212  45.585  53.382
   75    H1     G   7           H1         G   7  37.115  41.858  48.261
   76   1H2     G   7          1H2         G   7  35.334  42.135  46.957
   77   2H2     G   7          2H2         G   7  34.347  43.605  47.040
   78   1H5*    G   8          1H5*        G   8  29.878  46.652  53.535
   79   2H5*    G   8          2H5*        G   8  29.304  46.950  55.167
   80    H4*    G   8           H4*        G   8  27.878  45.541  53.711
   81    H3*    G   8           H3*        G   8  28.599  44.843  56.374
   82    H2*    G   8           H2*        G   8  30.446  43.561  55.926
   83   2HO*    G   8          2HO*        G   8  28.253  41.924  55.645
   84    H1*    G   8           H1*        G   8  29.171  42.311  53.418
   85    H8     G   8           H8         G   8  32.395  42.737  55.449
   86    H1     G   8           H1         G   8  33.242  41.067  49.398
   87   1H2     G   8          1H2         G   8  31.494  41.503  48.211
   88   2H2     G   8          2H2         G   8  30.091  41.674  49.230
   89   1H5*    G   9          1H5*        G   9  26.204  41.894  53.743
   90   2H5*    G   9          2H5*        G   9  24.895  41.175  54.577
   91    H4*    G   9           H4*        G   9  25.974  39.457  53.288
   92    H3*    G   9           H3*        G   9  25.858  38.792  56.076
   93    H2*    G   9           H2*        G   9  27.996  39.649  56.427
   94   2HO*    G   9          2HO*        G   9  28.608  36.835  56.000
   95    H1*    G   9           H1*        G   9  28.460  38.025  53.929
   96    H8     G   9           H8         G   9  30.325  39.570  56.624
   97    H1     G   9           H1         G   9  33.910  38.198  51.514
   98   1H2     G   9          1H2         G   9  32.574  38.068  49.784
   99   2H2     G   9          2H2         G   9  30.915  38.712  49.893
  100   1H5*    A  10          1H5*        A  10  25.230  37.575  51.614
  101   2H5*    A  10          2H5*        A  10  23.931  36.572  51.280
  102    H4*    A  10           H4*        A  10  25.772  35.975  49.735
  103    H3*    A  10           H3*        A  10  24.619  34.003  50.979
  104    H2*    A  10           H2*        A  10  26.276  33.707  52.856
  105   2HO*    A  10          2HO*        A  10  26.847  32.297  50.662
  106    H1*    A  10           H1*        A  10  28.569  34.372  51.101
  107    H8     A  10           H8         A  10  26.869  34.751  54.455
  108   1H6     A  10          1H6         A  10  32.780  35.558  56.416
  109   2H6     A  10          2H6         A  10  31.079  35.318  56.884
  110    H2     A  10           H2         A  10  32.693  35.530  51.974
  111   1H5*    U  11          1H5*        U  11  27.444  33.401  46.979
  112   2H5*    U  11          2H5*        U  11  26.410  33.667  45.698
  113    H4*    U  11           H4*        U  11  28.136  32.030  45.010
  114    H3*    U  11           H3*        U  11  25.512  30.788  45.518
  115    H2*    U  11           H2*        U  11  26.360  29.446  47.059
  116   2HO*    U  11          2HO*        U  11  25.964  28.053  45.190
  117    H1*    U  11           H1*        U  11  29.126  29.605  45.806
  118    H3     U  11           H3         U  11  31.175  27.321  49.301
  119    H5     U  11           H5         U  11  28.033  29.228  51.198
  120    H6     U  11           H6         U  11  27.120  29.858  49.050
  121   1H5*    G  12          1H5*        G  12  28.524  32.247  41.330
  122   2H5*    G  12          2H5*        G  12  28.961  31.431  42.890
  123    H4*    G  12           H4*        G  12  29.074  34.532  42.474
  124    H3*    G  12           H3*        G  12  30.925  32.989  41.325
  125    H2*    G  12           H2*        G  12  31.237  31.782  43.306
  126   2HO*    G  12          2HO*        G  12  33.306  32.573  42.531
  127    H1*    G  12           H1*        G  12  31.446  34.345  44.673
  128    H8     G  12           H8         G  12  31.782  30.454  45.128
  129    H1     G  12           H1         G  12  30.985  33.684  50.643
  130   1H2     G  12          1H2         G  12  30.190  35.621  50.208
  131   2H2     G  12          2H2         G  12  29.552  36.022  48.684
  132   1H5*    G  13          1H5*        G  13  29.343  36.719  42.704
  133   2H5*    G  13          2H5*        G  13  28.858  37.492  41.216
  134    H4*    G  13           H4*        G  13  28.814  39.102  43.159
  135    H3*    G  13           H3*        G  13  30.528  39.568  40.818
  136    H2*    G  13           H2*        G  13  30.996  41.720  41.589
  137   2HO*    G  13          2HO*        G  13  28.718  41.917  42.332
  138    H1*    G  13           H1*        G  13  31.171  40.765  44.282
  139    H8     G  13           H8         G  13  33.232  38.733  42.040
  140    H1     G  13           H1         G  13  36.062  44.129  44.380
  141   1H2     G  13          1H2         G  13  34.529  45.347  45.352
  142   2H2     G  13          2H2         G  13  32.886  44.678  45.369
  143   1H5*    A  14          1H5*        A  14  28.875  44.157  38.698
  144   2H5*    A  14          2H5*        A  14  30.281  43.269  38.727
  145    H4*    A  14           H4*        A  14  29.324  44.838  41.156
  146    H3*    A  14           H3*        A  14  31.197  45.600  38.807
  147    H2*    A  14           H2*        A  14  32.406  46.928  40.378
  148   2HO*    A  14          2HO*        A  14  30.004  46.873  41.980
  149    H1*    A  14           H1*        A  14  32.049  45.174  42.551
  150    H8     A  14           H8         A  14  32.857  42.646  40.188
  151   1H6     A  14          1H6         A  14  38.877  44.114  40.893
  152   2H6     A  14          2H6         A  14  37.804  42.708  40.492
  153    H2     A  14           H2         A  14  36.586  47.154  42.750
  154   1H5*    U  15          1H5*        U  15  30.485  49.140  40.419
  155   2H5*    U  15          2H5*        U  15  30.064  50.397  39.230
  156    H4*    U  15           H4*        U  15  31.976  51.098  40.603
  157    H3*    U  15           H3*        U  15  32.863  50.350  37.922
  158    H2*    U  15           H2*        U  15  35.037  51.224  38.385
  159   2HO*    U  15          2HO*        U  15  35.497  52.264  40.304
  160    H1*    U  15           H1*        U  15  35.086  50.015  40.906
  161    H3     U  15           H3         U  15  37.832  47.042  38.874
  162    H5     U  15           H5         U  15  34.118  46.081  37.248
  163    H6     U  15           H6         U  15  33.184  48.060  38.385
  164   1H5*    C  16          1H5*        C  16  34.252  54.384  38.990
  165   2H5*    C  16          2H5*        C  16  34.108  55.498  37.603
  166    H4*    C  16           H4*        C  16  36.291  55.741  38.405
  167    H3*    C  16           H3*        C  16  36.036  54.371  35.770
  168    H2*    C  16           H2*        C  16  38.545  54.269  35.789
  169   2HO*    C  16          2HO*        C  16  38.248  56.549  37.245
  170    H1*    C  16           H1*        C  16  38.717  53.579  38.433
  171   1H4     C  16          1H4         C  16  39.781  48.022  36.051
  172   2H4     C  16          2H4         C  16  38.150  47.804  35.565
  173    H5     C  16           H5         C  16  36.502  49.543  35.805
  174    H6     C  16           H6         C  16  36.129  51.922  36.667
  175   1H5*    U  17          1H5*        U  17  39.187  57.493  35.434
  176   2H5*    U  17          2H5*        U  17  39.002  58.313  33.895
  177    H4*    U  17           H4*        U  17  41.297  57.393  34.342
  178    H3*    U  17           H3*        U  17  39.789  56.205  31.947
  179    H2*    U  17           H2*        U  17  41.898  54.977  31.366
  180   2HO*    U  17          2HO*        U  17  43.252  56.890  31.857
  181    H1*    U  17           H1*        U  17  42.533  54.611  34.086
  182    H3     U  17           H3         U  17  42.078  50.490  32.540
  183    H5     U  17           H5         U  17  38.286  51.500  33.818
  184    H6     U  17           H6         U  17  39.031  53.926  33.787
  185   1H5*    C  18          1H5*        C  18  43.517  57.633  30.194
  186   2H5*    C  18          2H5*        C  18  43.048  58.099  28.534
  187    H4*    C  18           H4*        C  18  44.876  56.599  28.740
  188    H3*    C  18           H3*        C  18  42.416  55.391  27.237
  189    H2*    C  18           H2*        C  18  43.539  53.515  26.820
  190   2HO*    C  18          2HO*        C  18  45.573  54.645  26.332
  191    H1*    C  18           H1*        C  18  44.889  53.310  29.376
  192   1H4     C  18          1H4         C  18  39.988  49.464  30.210
  193   2H4     C  18          2H4         C  18  38.980  50.904  30.136
  194    H5     C  18           H5         C  18  39.580  52.926  29.397
  195    H6     C  18           H6         C  18  41.392  54.492  29.137
  196    H3T    C  18           H3T        C  18  43.268  56.957  26.055
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  44.110  38.722  28.235
    2   2H5*    G   1          2H5*        G   1  42.685  39.509  28.523
    3    H4*    G   1           H4*        G   1  44.957  40.572  26.792
    4    H3*    G   1           H3*        G   1  44.016  41.389  29.472
    5    H2*    G   1           H2*        G   1  45.175  43.444  29.115
    6   2HO*    G   1          2HO*        G   1  46.998  42.474  27.869
    7    H1*    G   1           H1*        G   1  44.189  43.769  26.472
    8    H8     G   1           H8         G   1  41.293  42.270  28.392
    9    H1     G   1           H1         G   1  42.337  48.483  29.650
   10   1H2     G   1          1H2         G   1  44.337  49.072  29.079
   11   2H2     G   1          2H2         G   1  45.410  47.863  28.332
   12    H5T    G   1           H5T        G   1  42.152  39.301  26.393
   13   1H5*    A   2          1H5*        A   2  48.301  42.736  29.075
   14   2H5*    A   2          2H5*        A   2  48.956  42.345  30.692
   15    H4*    A   2           H4*        A   2  49.487  44.697  30.014
   16    H3*    A   2           H3*        A   2  47.661  44.159  32.368
   17    H2*    A   2           H2*        A   2  47.797  46.409  32.983
   18   2HO*    A   2          2HO*        A   2  50.092  46.549  32.032
   19    H1*    A   2           H1*        A   2  47.252  47.393  30.431
   20    H8     A   2           H8         A   2  45.368  44.251  31.275
   21   1H6     A   2          1H6         A   2  41.218  48.412  33.032
   22   2H6     A   2          2H6         A   2  41.368  46.624  32.918
   23    H2     A   2           H2         A   2  44.788  50.457  32.719
   24   1H5*    G   3          1H5*        G   3  50.527  46.448  33.795
   25   2H5*    G   3          2H5*        G   3  50.912  46.165  35.495
   26    H4*    G   3           H4*        G   3  50.134  48.481  35.480
   27    H3*    G   3           H3*        G   3  48.363  46.496  36.909
   28    H2*    G   3           H2*        G   3  47.162  48.437  37.637
   29   2HO*    G   3          2HO*        G   3  49.506  49.795  37.102
   30    H1*    G   3           H1*        G   3  47.267  49.714  35.102
   31    H8     G   3           H8         G   3  46.647  45.951  35.143
   32    H1     G   3           H1         G   3  41.534  49.726  36.370
   33   1H2     G   3          1H2         G   3  42.132  51.398  37.138
   34   2H2     G   3          2H2         G   3  43.707  52.165  36.868
   35   1H5*    G   4          1H5*        G   4  49.084  49.700  39.506
   36   2H5*    G   4          2H5*        G   4  49.259  49.113  41.179
   37    H4*    G   4           H4*        G   4  47.385  50.894  40.996
   38    H3*    G   4           H3*        G   4  46.908  48.064  41.474
   39    H2*    G   4           H2*        G   4  44.732  48.507  41.875
   40   2HO*    G   4          2HO*        G   4  45.416  50.111  43.512
   41    H1*    G   4           H1*        G   4  44.922  50.999  40.304
   42    H8     G   4           H8         G   4  44.950  47.302  39.026
   43    H1     G   4           H1         G   4  38.986  49.459  40.013
   44   1H2     G   4          1H2         G   4  39.157  51.633  41.056
   45   2H2     G   4          2H2         G   4  40.668  52.452  40.879
   46   1H5*    U   5          1H5*        U   5  46.022  47.675  46.459
   47   2H5*    U   5          2H5*        U   5  45.266  46.705  45.176
   48    H4*    U   5           H4*        U   5  44.144  49.269  46.300
   49    H3*    U   5           H3*        U   5  43.805  46.896  47.533
   50    H2*    U   5           H2*        U   5  43.215  45.760  45.330
   51   2HO*    U   5          2HO*        U   5  40.958  46.634  46.684
   52    H1*    U   5           H1*        U   5  41.239  47.995  45.037
   53    H3     U   5           H3         U   5  39.277  45.497  41.903
   54    H5     U   5           H5         U   5  43.393  45.051  41.173
   55    H6     U   5           H6         U   5  43.934  46.657  42.953
   56   1H5*    C   6          1H5*        C   6  40.453  50.203  47.963
   57   2H5*    C   6          2H5*        C   6  40.127  50.703  49.586
   58    H4*    C   6           H4*        C   6  37.879  50.414  48.492
   59    H3*    C   6           H3*        C   6  38.678  48.205  50.420
   60    H2*    C   6           H2*        C   6  36.698  47.106  49.965
   61   2HO*    C   6          2HO*        C   6  35.082  48.431  50.263
   62    H1*    C   6           H1*        C   6  36.329  48.323  47.421
   63   1H4     C   6          1H4         C   6  37.392  42.984  44.835
   64   2H4     C   6          2H4         C   6  38.570  42.390  45.879
   65    H5     C   6           H5         C   6  39.516  44.107  47.742
   66    H6     C   6           H6         C   6  38.914  46.020  48.778
   67   1H5*    G   7          1H5*        G   7  34.863  50.524  52.199
   68   2H5*    G   7          2H5*        G   7  34.787  49.846  53.899
   69    H4*    G   7           H4*        G   7  32.792  49.673  52.274
   70    H3*    G   7           H3*        G   7  33.728  47.774  54.293
   71    H2*    G   7           H2*        G   7  32.613  45.820  53.292
   72   2HO*    G   7          2HO*        G   7  30.572  47.154  53.120
   73    H1*    G   7           H1*        G   7  32.795  46.450  50.681
   74    H8     G   7           H8         G   7  35.297  46.391  53.628
   75    H1     G   7           H1         G   7  36.139  42.401  48.731
   76   1H2     G   7          1H2         G   7  34.432  42.872  46.991
   77   2H2     G   7          2H2         G   7  33.857  44.493  47.088
   78   1H5*    G   8          1H5*        G   8  28.661  48.497  54.006
   79   2H5*    G   8          2H5*        G   8  28.384  48.345  55.673
   80    H4*    G   8           H4*        G   8  26.606  47.328  54.009
   81    H3*    G   8           H3*        G   8  27.067  46.585  56.531
   82    H2*    G   8           H2*        G   8  28.764  45.151  56.101
   83   2HO*    G   8          2HO*        G   8  26.572  43.304  55.841
   84    H1*    G   8           H1*        G   8  27.333  43.860  53.787
   85    H8     G   8           H8         G   8  30.500  44.012  55.669
   86    H1     G   8           H1         G   8  31.421  42.728  49.449
   87   1H2     G   8          1H2         G   8  29.762  42.613  48.531
   88   2H2     G   8          2H2         G   8  28.107  42.844  49.136
   89   1H5*    G   9          1H5*        G   9  23.988  43.437  54.128
   90   2H5*    G   9          2H5*        G   9  22.804  42.744  55.316
   91    H4*    G   9           H4*        G   9  23.655  41.091  53.883
   92    H3*    G   9           H3*        G   9  23.738  40.851  56.629
   93    H2*    G   9           H2*        G   9  26.054  41.372  56.481
   94   2HO*    G   9          2HO*        G   9  26.077  38.561  56.683
   95    H1*    G   9           H1*        G   9  26.155  39.567  54.016
   96    H8     G   9           H8         G   9  28.696  40.525  56.466
   97    H1     G   9           H1         G   9  30.592  39.420  50.465
   98   1H2     G   9          1H2         G   9  29.000  39.623  49.220
   99   2H2     G   9          2H2         G   9  27.294  39.962  49.728
  100   1H5*    A  10          1H5*        A  10  22.926  39.372  52.869
  101   2H5*    A  10          2H5*        A  10  21.291  38.883  52.550
  102    H4*    A  10           H4*        A  10  22.777  37.864  50.794
  103    H3*    A  10           H3*        A  10  21.407  35.865  52.160
  104    H2*    A  10           H2*        A  10  23.067  35.548  53.929
  105   2HO*    A  10          2HO*        A  10  22.885  33.700  52.249
  106    H1*    A  10           H1*        A  10  25.262  35.620  51.755
  107    H8     A  10           H8         A  10  24.481  36.493  55.468
  108   1H6     A  10          1H6         A  10  30.647  37.325  55.632
  109   2H6     A  10          2H6         A  10  29.346  37.398  56.705
  110    H2     A  10           H2         A  10  29.577  36.388  51.573
  111   1H5*    U  11          1H5*        U  11  24.448  35.611  48.283
  112   2H5*    U  11          2H5*        U  11  23.570  35.639  46.695
  113    H4*    U  11           H4*        U  11  25.349  34.264  46.356
  114    H3*    U  11           H3*        U  11  22.665  33.306  46.024
  115    H2*    U  11           H2*        U  11  22.774  31.850  47.749
  116   2HO*    U  11          2HO*        U  11  22.429  30.581  45.968
  117    H1*    U  11           H1*        U  11  25.830  31.410  47.119
  118    H3     U  11           H3         U  11  26.207  28.374  50.614
  119    H5     U  11           H5         U  11  24.211  31.663  52.215
  120    H6     U  11           H6         U  11  24.129  32.645  50.047
  121   1H5*    G  12          1H5*        G  12  26.926  32.989  42.563
  122   2H5*    G  12          2H5*        G  12  27.112  32.739  44.355
  123    H4*    G  12           H4*        G  12  27.727  35.289  42.970
  124    H3*    G  12           H3*        G  12  29.167  33.240  42.020
  125    H2*    G  12           H2*        G  12  29.201  32.133  44.121
  126   2HO*    G  12          2HO*        G  12  31.599  32.710  43.463
  127    H1*    G  12           H1*        G  12  30.246  34.610  45.669
  128    H8     G  12           H8         G  12  29.624  31.190  46.199
  129    H1     G  12           H1         G  12  27.200  34.703  50.922
  130   1H2     G  12          1H2         G  12  27.168  36.713  50.305
  131   2H2     G  12          2H2         G  12  27.453  37.094  48.600
  132   1H5*    G  13          1H5*        G  13  28.854  36.978  43.133
  133   2H5*    G  13          2H5*        G  13  28.354  37.603  41.500
  134    H4*    G  13           H4*        G  13  28.247  39.296  43.158
  135    H3*    G  13           H3*        G  13  30.328  39.612  41.069
  136    H2*    G  13           H2*        G  13  30.738  41.815  41.848
  137   2HO*    G  13          2HO*        G  13  28.675  42.427  42.233
  138    H1*    G  13           H1*        G  13  30.468  41.134  44.489
  139    H8     G  13           H8         G  13  32.713  38.696  42.583
  140    H1     G  13           H1         G  13  35.348  44.199  44.523
  141   1H2     G  13          1H2         G  13  33.914  45.609  45.141
  142   2H2     G  13          2H2         G  13  32.222  45.220  45.259
  143   1H5*    A  14          1H5*        A  14  28.391  44.409  39.161
  144   2H5*    A  14          2H5*        A  14  29.839  43.527  38.843
  145    H4*    A  14           H4*        A  14  29.171  44.945  41.409
  146    H3*    A  14           H3*        A  14  30.841  45.394  38.930
  147    H2*    A  14           H2*        A  14  32.488  46.588  39.984
  148   2HO*    A  14          2HO*        A  14  30.683  47.732  41.401
  149    H1*    A  14           H1*        A  14  32.355  45.296  42.380
  150    H8     A  14           H8         A  14  32.640  43.191  39.372
  151   1H6     A  14          1H6         A  14  38.777  43.945  40.468
  152   2H6     A  14          2H6         A  14  37.851  43.037  39.302
  153    H2     A  14           H2         A  14  36.836  46.366  43.091
  154   1H5*    U  15          1H5*        U  15  30.248  49.530  40.565
  155   2H5*    U  15          2H5*        U  15  30.116  50.549  39.123
  156    H4*    U  15           H4*        U  15  31.839  51.156  40.878
  157    H3*    U  15           H3*        U  15  32.869  50.591  38.153
  158    H2*    U  15           H2*        U  15  35.016  51.113  38.593
  159   2HO*    U  15          2HO*        U  15  35.092  53.065  39.662
  160    H1*    U  15           H1*        U  15  35.005  50.091  41.139
  161    H3     U  15           H3         U  15  37.965  47.394  38.892
  162    H5     U  15           H5         U  15  34.173  46.307  37.367
  163    H6     U  15           H6         U  15  33.298  48.128  38.424
  164   1H5*    C  16          1H5*        C  16  34.356  54.591  39.351
  165   2H5*    C  16          2H5*        C  16  34.134  55.699  37.964
  166    H4*    C  16           H4*        C  16  36.619  55.614  38.876
  167    H3*    C  16           H3*        C  16  36.084  54.685  35.988
  168    H2*    C  16           H2*        C  16  38.268  53.933  35.707
  169   2HO*    C  16          2HO*        C  16  39.328  55.907  36.155
  170    H1*    C  16           H1*        C  16  38.945  53.625  38.455
  171   1H4     C  16          1H4         C  16  39.626  47.788  36.563
  172   2H4     C  16          2H4         C  16  37.945  47.540  36.525
  173    H5     C  16           H5         C  16  36.327  49.396  36.287
  174    H6     C  16           H6         C  16  36.173  51.793  36.956
  175   1H5*    U  17          1H5*        U  17  39.177  57.913  35.123
  176   2H5*    U  17          2H5*        U  17  38.712  58.333  33.533
  177    H4*    U  17           H4*        U  17  41.202  57.769  33.808
  178    H3*    U  17           H3*        U  17  39.668  56.005  31.797
  179    H2*    U  17           H2*        U  17  41.753  54.968  31.397
  180   2HO*    U  17          2HO*        U  17  42.668  57.309  31.621
  181    H1*    U  17           H1*        U  17  42.700  55.085  33.852
  182    H3     U  17           H3         U  17  42.340  50.741  33.114
  183    H5     U  17           H5         U  17  38.338  51.846  33.670
  184    H6     U  17           H6         U  17  39.037  54.188  33.790
  185   1H5*    C  18          1H5*        C  18  42.915  57.247  29.276
  186   2H5*    C  18          2H5*        C  18  42.052  57.438  27.729
  187    H4*    C  18           H4*        C  18  43.959  55.831  27.809
  188    H3*    C  18           H3*        C  18  41.323  54.489  27.118
  189    H2*    C  18           H2*        C  18  42.565  52.462  27.039
  190   2HO*    C  18          2HO*        C  18  44.329  53.699  25.818
  191    H1*    C  18           H1*        C  18  44.393  53.159  29.093
  192   1H4     C  18          1H4         C  18  39.963  48.956  30.306
  193   2H4     C  18          2H4         C  18  38.588  50.078  30.485
  194    H5     C  18           H5         C  18  39.085  52.361  30.023
  195    H6     C  18           H6         C  18  40.860  54.006  29.605
  196    H3T    C  18           H3T        C  18  42.164  56.009  25.731
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  44.943  38.614  27.711
    2   2H5*    G   1          2H5*        G   1  43.294  39.096  27.764
    3    H4*    G   1           H4*        G   1  45.677  40.427  26.340
    4    H3*    G   1           H3*        G   1  44.290  41.266  28.914
    5    H2*    G   1           H2*        G   1  45.150  43.565  28.439
    6   2HO*    G   1          2HO*        G   1  47.092  42.176  27.275
    7    H1*    G   1           H1*        G   1  44.478  43.381  25.692
    8    H8     G   1           H8         G   1  41.723  41.927  27.512
    9    H1     G   1           H1         G   1  42.308  48.254  28.937
   10   1H2     G   1          1H2         G   1  44.241  48.951  28.143
   11   2H2     G   1          2H2         G   1  45.505  47.798  27.711
   12    H5T    G   1           H5T        G   1  43.422  39.076  25.298
   13   1H5*    A   2          1H5*        A   2  47.930  42.895  29.226
   14   2H5*    A   2          2H5*        A   2  49.067  42.344  30.555
   15    H4*    A   2           H4*        A   2  49.215  44.875  30.334
   16    H3*    A   2           H3*        A   2  47.303  44.209  32.476
   17    H2*    A   2           H2*        A   2  47.357  46.725  32.755
   18   2HO*    A   2          2HO*        A   2  49.631  46.823  32.027
   19    H1*    A   2           H1*        A   2  46.952  47.128  30.043
   20    H8     A   2           H8         A   2  45.093  44.059  30.679
   21   1H6     A   2          1H6         A   2  40.601  48.149  32.610
   22   2H6     A   2          2H6         A   2  40.706  46.475  32.179
   23    H2     A   2           H2         A   2  44.252  50.167  32.432
   24   1H5*    G   3          1H5*        G   3  50.315  46.825  33.943
   25   2H5*    G   3          2H5*        G   3  50.553  46.370  35.627
   26    H4*    G   3           H4*        G   3  49.817  48.801  35.292
   27    H3*    G   3           H3*        G   3  48.061  46.917  36.842
   28    H2*    G   3           H2*        G   3  46.930  48.541  37.622
   29   2HO*    G   3          2HO*        G   3  48.701  50.009  37.994
   30    H1*    G   3           H1*        G   3  46.692  49.865  35.097
   31    H8     G   3           H8         G   3  46.063  46.080  35.027
   32    H1     G   3           H1         G   3  40.911  49.763  36.304
   33   1H2     G   3          1H2         G   3  41.763  51.771  36.865
   34   2H2     G   3          2H2         G   3  43.465  52.211  36.720
   35   1H5*    G   4          1H5*        G   4  49.174  50.237  39.751
   36   2H5*    G   4          2H5*        G   4  49.604  49.338  41.177
   37    H4*    G   4           H4*        G   4  47.423  50.782  41.627
   38    H3*    G   4           H3*        G   4  47.074  47.829  41.634
   39    H2*    G   4           H2*        G   4  44.985  48.292  42.323
   40   2HO*    G   4          2HO*        G   4  45.229  49.694  44.158
   41    H1*    G   4           H1*        G   4  45.023  50.964  40.960
   42    H8     G   4           H8         G   4  45.157  47.355  39.332
   43    H1     G   4           H1         G   4  39.089  49.620  39.868
   44   1H2     G   4          1H2         G   4  39.025  51.326  41.127
   45   2H2     G   4          2H2         G   4  40.452  52.208  41.533
   46   1H5*    U   5          1H5*        U   5  46.108  48.005  47.126
   47   2H5*    U   5          2H5*        U   5  45.514  46.663  46.011
   48    H4*    U   5           H4*        U   5  43.985  49.253  46.701
   49    H3*    U   5           H3*        U   5  43.903  46.713  47.965
   50    H2*    U   5           H2*        U   5  43.338  45.830  45.790
   51   2HO*    U   5          2HO*        U   5  41.210  46.526  47.521
   52    H1*    U   5           H1*        U   5  41.441  48.155  45.398
   53    H3     U   5           H3         U   5  39.273  45.685  42.317
   54    H5     U   5           H5         U   5  43.271  44.781  41.517
   55    H6     U   5           H6         U   5  43.943  46.351  43.335
   56   1H5*    C   6          1H5*        C   6  40.644  50.317  47.872
   57   2H5*    C   6          2H5*        C   6  40.230  51.068  49.445
   58    H4*    C   6           H4*        C   6  38.177  50.382  48.017
   59    H3*    C   6           H3*        C   6  38.617  48.618  50.384
   60    H2*    C   6           H2*        C   6  36.887  47.319  49.688
   61   2HO*    C   6          2HO*        C   6  35.152  49.212  49.661
   62    H1*    C   6           H1*        C   6  36.938  48.595  46.959
   63   1H4     C   6          1H4         C   6  37.174  42.492  45.345
   64   2H4     C   6          2H4         C   6  38.488  42.184  46.410
   65    H5     C   6           H5         C   6  39.136  43.664  48.108
   66    H6     C   6           H6         C   6  39.031  45.976  48.851
   67   1H5*    G   7          1H5*        G   7  34.448  51.216  51.481
   68   2H5*    G   7          2H5*        G   7  34.403  50.797  53.055
   69    H4*    G   7           H4*        G   7  32.247  50.196  51.531
   70    H3*    G   7           H3*        G   7  33.340  48.171  53.513
   71    H2*    G   7           H2*        G   7  32.207  46.518  52.684
   72   2HO*    G   7          2HO*        G   7  30.081  47.280  52.085
   73    H1*    G   7           H1*        G   7  32.476  46.944  50.051
   74    H8     G   7           H8         G   7  35.052  47.071  53.112
   75    H1     G   7           H1         G   7  36.029  42.569  48.796
   76   1H2     G   7          1H2         G   7  34.043  42.400  47.700
   77   2H2     G   7          2H2         G   7  32.931  43.788  47.525
   78   1H5*    G   8          1H5*        G   8  29.027  48.631  52.955
   79   2H5*    G   8          2H5*        G   8  28.441  48.962  54.636
   80    H4*    G   8           H4*        G   8  26.935  47.870  53.261
   81    H3*    G   8           H3*        G   8  27.047  47.449  55.809
   82    H2*    G   8           H2*        G   8  28.933  45.875  55.713
   83   2HO*    G   8          2HO*        G   8  26.593  44.201  55.634
   84    H1*    G   8           H1*        G   8  27.757  44.368  53.370
   85    H8     G   8           H8         G   8  30.800  45.148  55.380
   86    H1     G   8           H1         G   8  32.227  42.128  49.877
   87   1H2     G   8          1H2         G   8  30.521  42.136  48.542
   88   2H2     G   8          2H2         G   8  29.113  43.121  49.013
   89   1H5*    G   9          1H5*        G   9  24.920  43.815  53.291
   90   2H5*    G   9          2H5*        G   9  23.361  43.400  54.073
   91    H4*    G   9           H4*        G   9  24.201  41.372  53.342
   92    H3*    G   9           H3*        G   9  23.811  41.777  56.143
   93    H2*    G   9           H2*        G   9  26.228  42.296  56.327
   94   2HO*    G   9          2HO*        G   9  25.883  39.566  56.921
   95    H1*    G   9           H1*        G   9  26.673  39.865  54.515
   96    H8     G   9           H8         G   9  28.484  42.034  56.790
   97    H1     G   9           H1         G   9  31.868  39.276  52.169
   98   1H2     G   9          1H2         G   9  30.703  39.494  50.195
   99   2H2     G   9          2H2         G   9  28.977  39.497  50.325
  100   1H5*    A  10          1H5*        A  10  23.431  39.127  52.083
  101   2H5*    A  10          2H5*        A  10  22.072  37.957  52.213
  102    H4*    A  10           H4*        A  10  23.710  37.329  50.601
  103    H3*    A  10           H3*        A  10  22.778  35.581  52.297
  104    H2*    A  10           H2*        A  10  24.339  35.881  53.968
  105   2HO*    A  10          2HO*        A  10  24.718  33.963  54.076
  106    H1*    A  10           H1*        A  10  26.600  35.803  51.919
  107    H8     A  10           H8         A  10  25.145  37.339  55.368
  108   1H6     A  10          1H6         A  10  30.920  38.530  56.627
  109   2H6     A  10          2H6         A  10  29.284  38.461  57.309
  110    H2     A  10           H2         A  10  30.939  36.230  52.892
  111   1H5*    U  11          1H5*        U  11  25.283  34.648  48.401
  112   2H5*    U  11          2H5*        U  11  24.087  34.622  46.982
  113    H4*    U  11           H4*        U  11  25.982  33.390  46.247
  114    H3*    U  11           H3*        U  11  23.469  32.127  46.301
  115    H2*    U  11           H2*        U  11  23.874  31.290  48.397
  116   2HO*    U  11          2HO*        U  11  23.445  29.566  46.830
  117    H1*    U  11           H1*        U  11  26.640  30.364  47.479
  118    H3     U  11           H3         U  11  27.776  28.178  51.215
  119    H5     U  11           H5         U  11  25.493  31.326  52.735
  120    H6     U  11           H6         U  11  25.002  32.018  50.315
  121   1H5*    G  12          1H5*        G  12  27.220  32.926  42.412
  122   2H5*    G  12          2H5*        G  12  27.508  32.033  43.933
  123    H4*    G  12           H4*        G  12  27.700  35.021  43.357
  124    H3*    G  12           H3*        G  12  29.631  33.157  42.477
  125    H2*    G  12           H2*        G  12  29.577  32.136  44.653
  126   2HO*    G  12          2HO*        G  12  31.640  32.243  44.020
  127    H1*    G  12           H1*        G  12  29.976  34.880  45.886
  128    H8     G  12           H8         G  12  29.464  31.272  46.447
  129    H1     G  12           H1         G  12  28.783  35.072  51.670
  130   1H2     G  12          1H2         G  12  28.732  37.127  50.904
  131   2H2     G  12          2H2         G  12  28.649  37.408  49.142
  132   1H5*    G  13          1H5*        G  13  28.774  37.182  43.657
  133   2H5*    G  13          2H5*        G  13  27.852  37.517  42.114
  134    H4*    G  13           H4*        G  13  27.931  39.433  43.470
  135    H3*    G  13           H3*        G  13  29.876  39.718  41.216
  136    H2*    G  13           H2*        G  13  30.374  41.960  41.896
  137   2HO*    G  13          2HO*        G  13  28.323  42.466  42.293
  138    H1*    G  13           H1*        G  13  30.209  41.205  44.677
  139    H8     G  13           H8         G  13  32.439  38.907  42.751
  140    H1     G  13           H1         G  13  35.712  44.126  44.508
  141   1H2     G  13          1H2         G  13  34.351  45.533  45.477
  142   2H2     G  13          2H2         G  13  32.607  45.488  45.241
  143   1H5*    A  14          1H5*        A  14  28.652  44.131  38.949
  144   2H5*    A  14          2H5*        A  14  30.069  43.116  38.915
  145    H4*    A  14           H4*        A  14  29.294  45.176  41.052
  146    H3*    A  14           H3*        A  14  31.414  45.384  38.851
  147    H2*    A  14           H2*        A  14  32.730  46.749  40.322
  148   2HO*    A  14          2HO*        A  14  30.429  47.495  41.393
  149    H1*    A  14           H1*        A  14  32.221  45.251  42.561
  150    H8     A  14           H8         A  14  32.963  42.693  39.989
  151   1H6     A  14          1H6         A  14  38.943  44.126  40.743
  152   2H6     A  14          2H6         A  14  37.946  42.777  40.203
  153    H2     A  14           H2         A  14  36.623  46.876  43.076
  154   1H5*    U  15          1H5*        U  15  30.417  49.401  40.271
  155   2H5*    U  15          2H5*        U  15  30.351  50.615  39.018
  156    H4*    U  15           H4*        U  15  32.030  51.057  40.798
  157    H3*    U  15           H3*        U  15  33.089  50.364  38.018
  158    H2*    U  15           H2*        U  15  35.135  51.357  38.638
  159   2HO*    U  15          2HO*        U  15  34.098  52.887  40.365
  160    H1*    U  15           H1*        U  15  35.143  49.659  41.019
  161    H3     U  15           H3         U  15  38.087  47.407  38.712
  162    H5     U  15           H5         U  15  34.483  45.791  37.520
  163    H6     U  15           H6         U  15  33.345  47.671  38.716
  164   1H5*    C  16          1H5*        C  16  34.217  54.108  39.024
  165   2H5*    C  16          2H5*        C  16  33.813  55.474  37.924
  166    H4*    C  16           H4*        C  16  36.248  55.559  38.565
  167    H3*    C  16           H3*        C  16  36.029  54.538  35.658
  168    H2*    C  16           H2*        C  16  38.286  54.146  35.747
  169   2HO*    C  16          2HO*        C  16  39.680  55.385  36.860
  170    H1*    C  16           H1*        C  16  38.516  53.568  38.491
  171   1H4     C  16          1H4         C  16  39.166  48.238  35.596
  172   2H4     C  16          2H4         C  16  37.469  47.790  35.349
  173    H5     C  16           H5         C  16  35.757  49.904  35.802
  174    H6     C  16           H6         C  16  35.758  52.089  36.763
  175   1H5*    U  17          1H5*        U  17  39.263  57.755  35.461
  176   2H5*    U  17          2H5*        U  17  39.222  58.452  33.859
  177    H4*    U  17           H4*        U  17  41.346  57.355  34.383
  178    H3*    U  17           H3*        U  17  39.700  55.998  32.249
  179    H2*    U  17           H2*        U  17  41.684  54.756  31.504
  180   2HO*    U  17          2HO*        U  17  42.976  56.771  32.393
  181    H1*    U  17           H1*        U  17  42.365  54.488  34.393
  182    H3     U  17           H3         U  17  41.820  50.354  32.619
  183    H5     U  17           H5         U  17  37.944  51.705  33.622
  184    H6     U  17           H6         U  17  38.784  53.893  33.754
  185   1H5*    C  18          1H5*        C  18  43.049  57.668  29.796
  186   2H5*    C  18          2H5*        C  18  42.770  57.716  28.138
  187    H4*    C  18           H4*        C  18  44.442  55.955  28.431
  188    H3*    C  18           H3*        C  18  41.764  54.951  27.391
  189    H2*    C  18           H2*        C  18  42.905  52.931  27.048
  190   2HO*    C  18          2HO*        C  18  44.906  53.840  25.927
  191    H1*    C  18           H1*        C  18  44.629  53.097  29.078
  192   1H4     C  18          1H4         C  18  40.213  48.713  29.658
  193   2H4     C  18          2H4         C  18  39.052  50.057  29.826
  194    H5     C  18           H5         C  18  39.416  52.332  29.827
  195    H6     C  18           H6         C  18  41.051  53.948  29.613
  196    H3T    C  18           H3T        C  18  42.722  56.763  26.164
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  43.986  38.753  27.421
    2   2H5*    G   1          2H5*        G   1  42.506  39.652  27.316
    3    H4*    G   1           H4*        G   1  45.158  40.785  26.412
    4    H3*    G   1           H3*        G   1  43.566  41.163  28.851
    5    H2*    G   1           H2*        G   1  44.760  43.323  29.043
    6   2HO*    G   1          2HO*        G   1  46.670  43.637  28.163
    7    H1*    G   1           H1*        G   1  44.774  43.555  26.280
    8    H8     G   1           H8         G   1  41.210  42.872  27.104
    9    H1     G   1           H1         G   1  42.895  48.731  29.124
   10   1H2     G   1          1H2         G   1  44.973  49.099  28.897
   11   2H2     G   1          2H2         G   1  45.901  47.884  28.176
   12    H5T    G   1           H5T        G   1  43.237  38.114  25.547
   13   1H5*    A   2          1H5*        A   2  47.644  41.950  29.410
   14   2H5*    A   2          2H5*        A   2  48.232  41.596  30.968
   15    H4*    A   2           H4*        A   2  48.932  43.998  30.247
   16    H3*    A   2           H3*        A   2  46.997  43.494  32.524
   17    H2*    A   2           H2*        A   2  47.033  45.943  32.779
   18   2HO*    A   2          2HO*        A   2  49.254  45.605  32.184
   19    H1*    A   2           H1*        A   2  46.830  46.509  30.140
   20    H8     A   2           H8         A   2  44.566  43.406  30.896
   21   1H6     A   2          1H6         A   2  40.509  47.965  32.450
   22   2H6     A   2          2H6         A   2  40.586  46.259  31.990
   23    H2     A   2           H2         A   2  44.353  49.792  32.274
   24   1H5*    G   3          1H5*        G   3  50.115  46.631  33.610
   25   2H5*    G   3          2H5*        G   3  50.392  46.496  35.308
   26    H4*    G   3           H4*        G   3  49.369  48.658  34.711
   27    H3*    G   3           H3*        G   3  47.850  46.845  36.663
   28    H2*    G   3           H2*        G   3  46.366  48.752  37.056
   29   2HO*    G   3          2HO*        G   3  46.932  50.804  36.717
   30    H1*    G   3           H1*        G   3  46.457  49.415  34.307
   31    H8     G   3           H8         G   3  45.689  45.805  34.731
   32    H1     G   3           H1         G   3  40.753  49.352  36.461
   33   1H2     G   3          1H2         G   3  41.566  51.308  37.233
   34   2H2     G   3          2H2         G   3  43.253  51.678  36.947
   35   1H5*    G   4          1H5*        G   4  48.641  50.291  39.032
   36   2H5*    G   4          2H5*        G   4  49.080  49.540  40.617
   37    H4*    G   4           H4*        G   4  47.438  51.257  40.774
   38    H3*    G   4           H3*        G   4  46.908  48.626  41.725
   39    H2*    G   4           H2*        G   4  44.650  48.946  42.008
   40   2HO*    G   4          2HO*        G   4  44.925  50.341  43.535
   41    H1*    G   4           H1*        G   4  44.426  51.292  40.259
   42    H8     G   4           H8         G   4  44.831  48.041  38.480
   43    H1     G   4           H1         G   4  38.825  49.088  40.413
   44   1H2     G   4          1H2         G   4  38.808  51.058  41.575
   45   2H2     G   4          2H2         G   4  40.347  51.748  42.090
   46   1H5*    U   5          1H5*        U   5  45.726  48.768  46.719
   47   2H5*    U   5          2H5*        U   5  45.254  47.869  45.265
   48    H4*    U   5           H4*        U   5  43.749  50.109  46.516
   49    H3*    U   5           H3*        U   5  44.072  47.672  47.431
   50    H2*    U   5           H2*        U   5  43.634  46.542  45.398
   51   2HO*    U   5          2HO*        U   5  42.037  45.857  47.412
   52    H1*    U   5           H1*        U   5  41.207  48.100  45.247
   53    H3     U   5           H3         U   5  39.189  46.010  41.919
   54    H5     U   5           H5         U   5  43.218  45.594  41.029
   55    H6     U   5           H6         U   5  43.768  46.876  43.054
   56   1H5*    C   6          1H5*        C   6  40.283  50.695  48.145
   57   2H5*    C   6          2H5*        C   6  39.726  51.000  49.769
   58    H4*    C   6           H4*        C   6  37.756  50.676  48.427
   59    H3*    C   6           H3*        C   6  38.417  48.452  50.301
   60    H2*    C   6           H2*        C   6  37.107  46.834  49.518
   61   2HO*    C   6          2HO*        C   6  35.141  47.859  49.818
   62    H1*    C   6           H1*        C   6  36.477  48.284  47.095
   63   1H4     C   6          1H4         C   6  38.322  42.620  44.641
   64   2H4     C   6          2H4         C   6  39.612  42.507  45.852
   65    H5     C   6           H5         C   6  40.264  44.228  47.316
   66    H6     C   6           H6         C   6  39.532  46.192  48.396
   67   1H5*    G   7          1H5*        G   7  33.665  49.997  51.145
   68   2H5*    G   7          2H5*        G   7  33.566  49.894  52.945
   69    H4*    G   7           H4*        G   7  31.863  48.386  51.862
   70    H3*    G   7           H3*        G   7  33.823  47.392  53.677
   71    H2*    G   7           H2*        G   7  33.405  45.142  53.315
   72   2HO*    G   7          2HO*        G   7  31.082  44.959  53.220
   73    H1*    G   7           H1*        G   7  32.838  45.253  50.647
   74    H8     G   7           H8         G   7  35.736  46.322  52.914
   75    H1     G   7           H1         G   7  37.243  42.200  48.241
   76   1H2     G   7          1H2         G   7  35.421  41.743  47.161
   77   2H2     G   7          2H2         G   7  33.839  42.377  47.607
   78   1H5*    G   8          1H5*        G   8  29.341  46.107  53.795
   79   2H5*    G   8          2H5*        G   8  28.851  46.424  55.451
   80    H4*    G   8           H4*        G   8  27.723  44.485  54.525
   81    H3*    G   8           H3*        G   8  28.611  44.776  57.086
   82    H2*    G   8           H2*        G   8  30.642  43.880  56.799
   83   2HO*    G   8          2HO*        G   8  29.276  41.573  57.514
   84    H1*    G   8           H1*        G   8  29.652  41.546  54.968
   85    H8     G   8           H8         G   8  32.602  42.824  56.573
   86    H1     G   8           H1         G   8  33.853  42.441  50.365
   87   1H2     G   8          1H2         G   8  31.869  42.141  49.257
   88   2H2     G   8          2H2         G   8  30.399  42.032  50.246
   89   1H5*    G   9          1H5*        G   9  27.494  40.986  55.606
   90   2H5*    G   9          2H5*        G   9  26.155  40.064  56.396
   91    H4*    G   9           H4*        G   9  27.728  38.488  55.549
   92    H3*    G   9           H3*        G   9  27.117  38.353  58.366
   93    H2*    G   9           H2*        G   9  29.380  39.404  58.805
   94   2HO*    G   9          2HO*        G   9  29.349  36.650  59.078
   95    H1*    G   9           H1*        G   9  30.299  37.607  56.596
   96    H8     G   9           H8         G   9  31.618  39.301  59.372
   97    H1     G   9           H1         G   9  35.730  39.276  54.371
   98   1H2     G   9          1H2         G   9  34.617  39.209  52.722
   99   2H2     G   9          2H2         G   9  32.860  39.140  52.625
  100   1H5*    A  10          1H5*        A  10  28.145  35.905  54.692
  101   2H5*    A  10          2H5*        A  10  26.463  35.563  54.432
  102    H4*    A  10           H4*        A  10  27.529  34.374  52.767
  103    H3*    A  10           H3*        A  10  26.377  32.752  54.681
  104    H2*    A  10           H2*        A  10  28.203  32.333  56.089
  105   2HO*    A  10          2HO*        A  10  28.038  30.486  54.148
  106    H1*    A  10           H1*        A  10  30.446  32.464  54.178
  107    H8     A  10           H8         A  10  29.015  33.745  57.401
  108   1H6     A  10          1H6         A  10  34.378  36.800  57.666
  109   2H6     A  10          2H6         A  10  32.998  36.169  58.539
  110    H2     A  10           H2         A  10  33.762  35.765  53.516
  111   1H5*    U  11          1H5*        U  11  26.845  33.433  50.481
  112   2H5*    U  11          2H5*        U  11  25.377  33.119  49.530
  113    H4*    U  11           H4*        U  11  27.347  32.908  48.039
  114    H3*    U  11           H3*        U  11  25.587  30.836  48.279
  115    H2*    U  11           H2*        U  11  27.062  29.609  49.686
  116   2HO*    U  11          2HO*        U  11  27.281  28.774  47.103
  117    H1*    U  11           H1*        U  11  29.276  30.818  47.856
  118    H3     U  11           H3         U  11  32.156  27.576  49.323
  119    H5     U  11           H5         U  11  30.349  28.617  52.831
  120    H6     U  11           H6         U  11  29.128  30.402  51.568
  121   1H5*    G  12          1H5*        G  12  28.497  32.138  43.715
  122   2H5*    G  12          2H5*        G  12  28.900  31.931  45.439
  123    H4*    G  12           H4*        G  12  28.651  34.625  44.108
  124    H3*    G  12           H3*        G  12  30.341  32.936  43.029
  125    H2*    G  12           H2*        G  12  31.095  31.996  44.988
  126   2HO*    G  12          2HO*        G  12  32.881  33.807  43.906
  127    H1*    G  12           H1*        G  12  31.774  34.790  45.871
  128    H8     G  12           H8         G  12  32.638  31.704  46.648
  129    H1     G  12           H1         G  12  30.526  34.006  52.241
  130   1H2     G  12          1H2         G  12  29.535  36.086  51.747
  131   2H2     G  12          2H2         G  12  28.914  36.306  50.142
  132   1H5*    G  13          1H5*        G  13  29.481  37.107  43.826
  133   2H5*    G  13          2H5*        G  13  28.551  37.177  42.439
  134    H4*    G  13           H4*        G  13  28.577  39.348  43.406
  135    H3*    G  13           H3*        G  13  30.681  39.472  41.088
  136    H2*    G  13           H2*        G  13  30.964  41.643  41.669
  137   2HO*    G  13          2HO*        G  13  28.851  42.325  42.069
  138    H1*    G  13           H1*        G  13  30.951  41.414  44.368
  139    H8     G  13           H8         G  13  32.811  38.509  42.724
  140    H1     G  13           H1         G  13  36.157  43.714  44.490
  141   1H2     G  13          1H2         G  13  34.556  45.240  45.265
  142   2H2     G  13          2H2         G  13  32.816  44.905  45.023
  143   1H5*    A  14          1H5*        A  14  29.160  43.844  38.729
  144   2H5*    A  14          2H5*        A  14  30.709  43.244  39.294
  145    H4*    A  14           H4*        A  14  29.161  45.006  41.207
  146    H3*    A  14           H3*        A  14  31.170  45.604  38.995
  147    H2*    A  14           H2*        A  14  32.232  47.107  40.445
  148   2HO*    A  14          2HO*        A  14  31.467  47.406  42.612
  149    H1*    A  14           H1*        A  14  32.312  45.495  42.583
  150    H8     A  14           H8         A  14  32.745  43.298  39.528
  151   1H6     A  14          1H6         A  14  38.815  44.719  40.427
  152   2H6     A  14          2H6         A  14  37.803  43.939  39.212
  153    H2     A  14           H2         A  14  36.556  47.081  43.140
  154   1H5*    U  15          1H5*        U  15  30.282  49.635  40.676
  155   2H5*    U  15          2H5*        U  15  30.254  50.801  39.356
  156    H4*    U  15           H4*        U  15  32.042  51.379  40.756
  157    H3*    U  15           H3*        U  15  32.960  50.355  38.087
  158    H2*    U  15           H2*        U  15  35.149  50.972  38.641
  159   2HO*    U  15          2HO*        U  15  34.294  52.906  39.800
  160    H1*    U  15           H1*        U  15  34.943  49.828  41.267
  161    H3     U  15           H3         U  15  37.740  47.187  38.865
  162    H5     U  15           H5         U  15  33.988  46.282  37.260
  163    H6     U  15           H6         U  15  33.082  48.147  38.527
  164   1H5*    C  16          1H5*        C  16  34.293  54.708  39.019
  165   2H5*    C  16          2H5*        C  16  34.251  55.507  37.351
  166    H4*    C  16           H4*        C  16  36.388  55.788  38.422
  167    H3*    C  16           H3*        C  16  36.344  54.171  35.943
  168    H2*    C  16           H2*        C  16  38.758  54.180  36.066
  169   2HO*    C  16          2HO*        C  16  38.369  56.328  37.806
  170    H1*    C  16           H1*        C  16  38.832  53.465  38.671
  171   1H4     C  16          1H4         C  16  39.296  48.036  36.009
  172   2H4     C  16          2H4         C  16  37.596  47.969  35.482
  173    H5     C  16           H5         C  16  36.026  49.721  36.092
  174    H6     C  16           H6         C  16  35.894  51.987  36.950
  175   1H5*    U  17          1H5*        U  17  39.464  56.931  35.707
  176   2H5*    U  17          2H5*        U  17  39.544  57.989  34.306
  177    H4*    U  17           H4*        U  17  41.575  57.145  34.424
  178    H3*    U  17           H3*        U  17  40.149  55.617  32.254
  179    H2*    U  17           H2*        U  17  42.044  54.433  31.817
  180   2HO*    U  17          2HO*        U  17  43.441  56.186  31.904
  181    H1*    U  17           H1*        U  17  42.909  53.965  34.317
  182    H3     U  17           H3         U  17  41.810  49.884  32.980
  183    H5     U  17           H5         U  17  38.123  51.835  33.704
  184    H6     U  17           H6         U  17  39.335  53.918  33.979
  185   1H5*    C  18          1H5*        C  18  43.962  57.576  30.453
  186   2H5*    C  18          2H5*        C  18  43.435  57.873  28.889
  187    H4*    C  18           H4*        C  18  45.390  56.616  28.857
  188    H3*    C  18           H3*        C  18  42.804  55.466  27.683
  189    H2*    C  18           H2*        C  18  43.783  53.424  26.975
  190   2HO*    C  18          2HO*        C  18  46.275  54.518  27.246
  191    H1*    C  18           H1*        C  18  45.537  53.054  29.266
  192   1H4     C  18          1H4         C  18  40.469  49.317  29.599
  193   2H4     C  18          2H4         C  18  39.449  50.820  29.738
  194    H5     C  18           H5         C  18  40.150  52.966  29.710
  195    H6     C  18           H6         C  18  42.056  54.325  29.284
  196    H3T    C  18           H3T        C  18  44.388  57.194  26.808
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  42.861  39.166  29.345
    2   2H5*    G   1          2H5*        G   1  41.455  40.406  29.176
    3    H4*    G   1           H4*        G   1  43.753  40.025  27.159
    4    H3*    G   1           H3*        G   1  43.736  41.878  29.490
    5    H2*    G   1           H2*        G   1  44.708  43.526  28.293
    6   2HO*    G   1          2HO*        G   1  45.970  43.043  26.628
    7    H1*    G   1           H1*        G   1  43.029  43.253  26.059
    8    H8     G   1           H8         G   1  40.521  42.389  27.936
    9    H1     G   1           H1         G   1  42.248  48.481  29.046
   10   1H2     G   1          1H2         G   1  44.229  48.902  28.394
   11   2H2     G   1          2H2         G   1  45.211  47.700  27.638
   12    H5T    G   1           H5T        G   1  41.266  39.253  27.236
   13   1H5*    A   2          1H5*        A   2  47.021  42.228  29.277
   14   2H5*    A   2          2H5*        A   2  47.952  41.788  30.674
   15    H4*    A   2           H4*        A   2  48.373  44.013  30.009
   16    H3*    A   2           H3*        A   2  46.787  43.851  32.576
   17    H2*    A   2           H2*        A   2  47.143  46.163  32.769
   18   2HO*    A   2          2HO*        A   2  49.348  46.184  31.927
   19    H1*    A   2           H1*        A   2  46.569  46.776  30.168
   20    H8     A   2           H8         A   2  44.360  43.690  31.153
   21   1H6     A   2          1H6         A   2  40.466  47.984  33.288
   22   2H6     A   2          2H6         A   2  40.491  46.315  32.706
   23    H2     A   2           H2         A   2  43.968  50.100  32.416
   24   1H5*    G   3          1H5*        G   3  50.006  46.511  33.724
   25   2H5*    G   3          2H5*        G   3  50.611  46.026  35.305
   26    H4*    G   3           H4*        G   3  50.097  48.460  35.409
   27    H3*    G   3           H3*        G   3  48.164  46.756  37.002
   28    H2*    G   3           H2*        G   3  47.115  48.691  37.604
   29   2HO*    G   3          2HO*        G   3  49.493  49.721  36.975
   30    H1*    G   3           H1*        G   3  47.073  49.971  35.231
   31    H8     G   3           H8         G   3  46.321  46.142  35.220
   32    H1     G   3           H1         G   3  41.208  49.773  36.419
   33   1H2     G   3          1H2         G   3  41.916  51.722  37.113
   34   2H2     G   3          2H2         G   3  43.456  52.308  36.908
   35   1H5*    G   4          1H5*        G   4  49.085  50.342  39.412
   36   2H5*    G   4          2H5*        G   4  49.217  49.655  41.052
   37    H4*    G   4           H4*        G   4  47.529  51.370  40.885
   38    H3*    G   4           H3*        G   4  46.934  48.547  41.862
   39    H2*    G   4           H2*        G   4  44.744  49.161  42.244
   40   2HO*    G   4          2HO*        G   4  44.835  51.121  43.401
   41    H1*    G   4           H1*        G   4  44.372  51.097  40.290
   42    H8     G   4           H8         G   4  45.457  47.521  39.266
   43    H1     G   4           H1         G   4  39.107  48.640  40.207
   44   1H2     G   4          1H2         G   4  38.919  50.566  41.017
   45   2H2     G   4          2H2         G   4  40.433  51.421  41.611
   46   1H5*    U   5          1H5*        U   5  45.691  49.252  46.835
   47   2H5*    U   5          2H5*        U   5  45.442  47.856  45.865
   48    H4*    U   5           H4*        U   5  43.417  50.142  46.232
   49    H3*    U   5           H3*        U   5  44.002  47.679  47.511
   50    H2*    U   5           H2*        U   5  43.447  46.566  45.373
   51   2HO*    U   5          2HO*        U   5  41.098  46.713  46.982
   52    H1*    U   5           H1*        U   5  41.287  48.634  45.226
   53    H3     U   5           H3         U   5  39.257  45.708  42.366
   54    H5     U   5           H5         U   5  43.323  45.591  41.233
   55    H6     U   5           H6         U   5  43.873  47.291  42.945
   56   1H5*    C   6          1H5*        C   6  40.106  50.357  47.863
   57   2H5*    C   6          2H5*        C   6  39.724  50.935  49.386
   58    H4*    C   6           H4*        C   6  37.832  50.362  48.453
   59    H3*    C   6           H3*        C   6  38.510  48.157  50.361
   60    H2*    C   6           H2*        C   6  37.206  46.742  49.637
   61   2HO*    C   6          2HO*        C   6  35.440  48.008  50.099
   62    H1*    C   6           H1*        C   6  36.456  48.278  47.124
   63   1H4     C   6          1H4         C   6  37.873  42.796  44.307
   64   2H4     C   6          2H4         C   6  39.159  42.514  45.452
   65    H5     C   6           H5         C   6  39.487  43.691  47.281
   66    H6     C   6           H6         C   6  39.120  46.056  48.434
   67   1H5*    G   7          1H5*        G   7  33.593  49.136  51.454
   68   2H5*    G   7          2H5*        G   7  33.711  48.737  53.148
   69    H4*    G   7           H4*        G   7  31.986  47.454  51.843
   70    H3*    G   7           H3*        G   7  34.016  46.195  53.626
   71    H2*    G   7           H2*        G   7  33.695  44.028  52.691
   72   2HO*    G   7          2HO*        G   7  31.442  43.985  53.102
   73    H1*    G   7           H1*        G   7  32.738  44.559  50.236
   74    H8     G   7           H8         G   7  35.712  45.575  52.321
   75    H1     G   7           H1         G   7  37.517  41.798  47.574
   76   1H2     G   7          1H2         G   7  35.831  40.968  46.673
   77   2H2     G   7          2H2         G   7  34.192  41.710  47.133
   78   1H5*    G   8          1H5*        G   8  29.288  44.976  53.956
   79   2H5*    G   8          2H5*        G   8  29.118  44.588  55.675
   80    H4*    G   8           H4*        G   8  28.198  43.053  53.876
   81    H3*    G   8           H3*        G   8  28.616  42.503  56.427
   82    H2*    G   8           H2*        G   8  31.079  42.054  55.961
   83   2HO*    G   8          2HO*        G   8  29.687  39.611  56.085
   84    H1*    G   8           H1*        G   8  30.254  40.187  53.683
   85    H8     G   8           H8         G   8  32.982  42.078  55.532
   86    H1     G   8           H1         G   8  35.099  39.758  49.989
   87   1H2     G   8          1H2         G   8  33.417  39.396  48.719
   88   2H2     G   8          2H2         G   8  31.741  39.601  49.228
   89   1H5*    G   9          1H5*        G   9  28.206  38.733  54.008
   90   2H5*    G   9          2H5*        G   9  26.929  37.714  54.800
   91    H4*    G   9           H4*        G   9  28.752  36.226  54.153
   92    H3*    G   9           H3*        G   9  28.334  36.581  57.014
   93    H2*    G   9           H2*        G   9  30.288  37.557  57.271
   94   2HO*    G   9          2HO*        G   9  31.266  34.839  57.467
   95    H1*    G   9           H1*        G   9  31.369  35.742  55.093
   96    H8     G   9           H8         G   9  32.562  38.141  57.620
   97    H1     G   9           H1         G   9  36.559  37.361  52.694
   98   1H2     G   9          1H2         G   9  35.351  36.314  50.910
   99   2H2     G   9          2H2         G   9  33.628  36.058  51.145
  100   1H5*    A  10          1H5*        A  10  28.835  33.747  53.843
  101   2H5*    A  10          2H5*        A  10  27.229  33.091  53.535
  102    H4*    A  10           H4*        A  10  28.383  31.826  52.180
  103    H3*    A  10           H3*        A  10  27.602  30.446  54.316
  104    H2*    A  10           H2*        A  10  29.254  30.418  55.602
  105   2HO*    A  10          2HO*        A  10  29.662  28.307  53.748
  106    H1*    A  10           H1*        A  10  31.502  30.408  53.575
  107    H8     A  10           H8         A  10  30.218  31.741  56.833
  108   1H6     A  10          1H6         A  10  35.638  34.983  56.922
  109   2H6     A  10          2H6         A  10  34.202  34.612  57.895
  110    H2     A  10           H2         A  10  34.709  33.955  52.802
  111   1H5*    U  11          1H5*        U  11  29.006  31.052  50.219
  112   2H5*    U  11          2H5*        U  11  27.325  31.011  49.653
  113    H4*    U  11           H4*        U  11  28.786  31.272  47.671
  114    H3*    U  11           H3*        U  11  27.115  28.887  48.098
  115    H2*    U  11           H2*        U  11  28.919  27.613  48.345
  116   2HO*    U  11          2HO*        U  11  27.941  26.595  46.787
  117    H1*    U  11           H1*        U  11  30.151  29.323  46.214
  118    H3     U  11           H3         U  11  33.646  26.176  46.222
  119    H5     U  11           H5         U  11  32.442  26.154  50.217
  120    H6     U  11           H6         U  11  30.650  27.735  49.563
  121   1H5*    G  12          1H5*        G  12  27.763  32.400  44.026
  122   2H5*    G  12          2H5*        G  12  29.134  31.572  44.839
  123    H4*    G  12           H4*        G  12  28.626  34.550  44.954
  124    H3*    G  12           H3*        G  12  30.028  33.114  43.006
  125    H2*    G  12           H2*        G  12  31.105  31.985  44.601
  126   2HO*    G  12          2HO*        G  12  32.695  33.925  43.239
  127    H1*    G  12           H1*        G  12  31.797  34.604  46.047
  128    H8     G  12           H8         G  12  33.481  31.698  45.671
  129    H1     G  12           H1         G  12  31.914  32.266  51.925
  130   1H2     G  12          1H2         G  12  30.503  33.869  52.149
  131   2H2     G  12          2H2         G  12  30.181  34.898  50.739
  132   1H5*    G  13          1H5*        G  13  28.968  37.111  43.141
  133   2H5*    G  13          2H5*        G  13  28.842  37.366  41.376
  134    H4*    G  13           H4*        G  13  28.402  39.358  42.796
  135    H3*    G  13           H3*        G  13  30.934  39.401  41.034
  136    H2*    G  13           H2*        G  13  31.414  41.684  41.513
  137   2HO*    G  13          2HO*        G  13  29.017  42.324  41.648
  138    H1*    G  13           H1*        G  13  30.767  41.297  44.244
  139    H8     G  13           H8         G  13  32.655  38.496  42.424
  140    H1     G  13           H1         G  13  36.192  43.387  44.581
  141   1H2     G  13          1H2         G  13  34.798  45.313  44.538
  142   2H2     G  13          2H2         G  13  33.051  45.079  44.471
  143   1H5*    A  14          1H5*        A  14  29.406  43.837  38.208
  144   2H5*    A  14          2H5*        A  14  31.117  43.193  38.587
  145    H4*    A  14           H4*        A  14  29.505  44.861  40.466
  146    H3*    A  14           H3*        A  14  31.562  45.651  38.458
  147    H2*    A  14           H2*        A  14  32.651  46.994  40.302
  148   2HO*    A  14          2HO*        A  14  30.091  47.147  41.182
  149    H1*    A  14           H1*        A  14  32.331  45.229  42.332
  150    H8     A  14           H8         A  14  33.178  42.860  39.435
  151   1H6     A  14          1H6         A  14  39.126  44.570  40.442
  152   2H6     A  14          2H6         A  14  37.960  43.643  39.351
  153    H2     A  14           H2         A  14  36.727  47.460  42.561
  154   1H5*    U  15          1H5*        U  15  30.581  49.583  40.581
  155   2H5*    U  15          2H5*        U  15  30.505  50.695  39.071
  156    H4*    U  15           H4*        U  15  32.349  51.232  40.462
  157    H3*    U  15           H3*        U  15  32.996  50.081  37.825
  158    H2*    U  15           H2*        U  15  35.045  50.900  38.268
  159   2HO*    U  15          2HO*        U  15  33.794  52.520  39.799
  160    H1*    U  15           H1*        U  15  35.119  50.000  40.919
  161    H3     U  15           H3         U  15  38.079  47.125  39.026
  162    H5     U  15           H5         U  15  34.472  46.186  37.126
  163    H6     U  15           H6         U  15  33.422  47.974  38.408
  164   1H5*    C  16          1H5*        C  16  33.870  54.523  38.161
  165   2H5*    C  16          2H5*        C  16  34.040  55.332  36.525
  166    H4*    C  16           H4*        C  16  35.917  55.566  38.069
  167    H3*    C  16           H3*        C  16  36.454  54.265  35.350
  168    H2*    C  16           H2*        C  16  38.765  54.443  36.104
  169   2HO*    C  16          2HO*        C  16  37.895  56.503  37.644
  170    H1*    C  16           H1*        C  16  38.417  53.533  38.582
  171   1H4     C  16          1H4         C  16  39.816  47.969  36.492
  172   2H4     C  16          2H4         C  16  38.129  47.585  36.287
  173    H5     C  16           H5         C  16  36.433  49.209  36.332
  174    H6     C  16           H6         C  16  35.964  51.589  36.724
  175   1H5*    U  17          1H5*        U  17  39.310  57.542  35.772
  176   2H5*    U  17          2H5*        U  17  39.313  58.314  34.160
  177    H4*    U  17           H4*        U  17  41.568  57.507  34.784
  178    H3*    U  17           H3*        U  17  40.260  55.875  32.582
  179    H2*    U  17           H2*        U  17  42.283  54.795  32.259
  180   2HO*    U  17          2HO*        U  17  43.310  57.044  33.046
  181    H1*    U  17           H1*        U  17  42.651  54.365  34.996
  182    H3     U  17           H3         U  17  41.807  50.290  33.010
  183    H5     U  17           H5         U  17  38.132  51.869  34.010
  184    H6     U  17           H6         U  17  39.233  54.184  34.087
  185   1H5*    C  18          1H5*        C  18  43.718  57.001  30.731
  186   2H5*    C  18          2H5*        C  18  43.442  57.725  28.991
  187    H4*    C  18           H4*        C  18  45.137  56.003  29.020
  188    H3*    C  18           H3*        C  18  42.559  55.434  27.661
  189    H2*    C  18           H2*        C  18  43.143  53.288  27.140
  190   2HO*    C  18          2HO*        C  18  45.953  53.626  27.764
  191    H1*    C  18           H1*        C  18  44.852  52.702  29.377
  192   1H4     C  18          1H4         C  18  40.106  49.243  30.345
  193   2H4     C  18          2H4         C  18  38.805  50.461  30.632
  194    H5     C  18           H5         C  18  39.655  52.880  30.501
  195    H6     C  18           H6         C  18  41.532  54.237  30.027
  196    H3T    C  18           H3T        C  18  44.610  55.172  26.290
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  43.793  39.422  27.300
    2   2H5*    G   1          2H5*        G   1  42.215  40.080  27.451
    3    H4*    G   1           H4*        G   1  44.595  41.655  26.213
    4    H3*    G   1           H3*        G   1  43.623  41.496  28.979
    5    H2*    G   1           H2*        G   1  44.301  43.588  29.281
    6   2HO*    G   1          2HO*        G   1  45.759  44.667  28.135
    7    H1*    G   1           H1*        G   1  43.786  44.406  26.648
    8    H8     G   1           H8         G   1  40.692  43.122  28.192
    9    H1     G   1           H1         G   1  42.127  49.289  29.285
   10   1H2     G   1          1H2         G   1  44.232  49.481  28.948
   11   2H2     G   1          2H2         G   1  45.138  48.202  28.048
   12    H5T    G   1           H5T        G   1  42.196  40.465  25.180
   13   1H5*    A   2          1H5*        A   2  47.724  42.958  29.061
   14   2H5*    A   2          2H5*        A   2  48.636  42.000  30.336
   15    H4*    A   2           H4*        A   2  49.022  44.301  30.791
   16    H3*    A   2           H3*        A   2  46.699  43.745  32.495
   17    H2*    A   2           H2*        A   2  47.189  46.006  33.322
   18   2HO*    A   2          2HO*        A   2  49.613  45.677  32.455
   19    H1*    A   2           H1*        A   2  47.094  46.991  30.823
   20    H8     A   2           H8         A   2  44.843  43.917  31.366
   21   1H6     A   2          1H6         A   2  40.809  48.379  33.055
   22   2H6     A   2          2H6         A   2  40.816  46.646  32.816
   23    H2     A   2           H2         A   2  44.527  50.246  32.431
   24   1H5*    G   3          1H5*        G   3  50.224  45.574  34.456
   25   2H5*    G   3          2H5*        G   3  50.337  45.048  36.129
   26    H4*    G   3           H4*        G   3  50.280  47.583  36.079
   27    H3*    G   3           H3*        G   3  48.187  46.007  37.460
   28    H2*    G   3           H2*        G   3  46.996  48.190  38.000
   29   2HO*    G   3          2HO*        G   3  47.911  50.194  37.576
   30    H1*    G   3           H1*        G   3  47.182  49.283  35.507
   31    H8     G   3           H8         G   3  46.551  45.399  35.672
   32    H1     G   3           H1         G   3  41.409  49.168  36.165
   33   1H2     G   3          1H2         G   3  41.970  51.389  36.375
   34   2H2     G   3          2H2         G   3  43.641  51.758  36.009
   35   1H5*    G   4          1H5*        G   4  49.255  49.548  39.971
   36   2H5*    G   4          2H5*        G   4  49.158  49.158  41.652
   37    H4*    G   4           H4*        G   4  47.418  50.869  40.973
   38    H3*    G   4           H3*        G   4  46.775  48.282  42.192
   39    H2*    G   4           H2*        G   4  44.546  48.969  42.370
   40   2HO*    G   4          2HO*        G   4  45.109  50.856  43.574
   41    H1*    G   4           H1*        G   4  44.706  50.853  40.249
   42    H8     G   4           H8         G   4  45.056  47.516  38.804
   43    H1     G   4           H1         G   4  38.897  49.278  40.001
   44   1H2     G   4          1H2         G   4  38.858  50.791  41.360
   45   2H2     G   4          2H2         G   4  40.360  51.503  41.967
   46   1H5*    U   5          1H5*        U   5  45.526  48.686  47.110
   47   2H5*    U   5          2H5*        U   5  45.279  47.597  45.720
   48    H4*    U   5           H4*        U   5  43.259  49.817  46.741
   49    H3*    U   5           H3*        U   5  43.667  47.126  47.695
   50    H2*    U   5           H2*        U   5  43.541  46.524  45.444
   51   2HO*    U   5          2HO*        U   5  41.700  45.510  47.203
   52    H1*    U   5           H1*        U   5  41.054  48.128  45.495
   53    H3     U   5           H3         U   5  39.035  45.693  42.296
   54    H5     U   5           H5         U   5  43.033  45.494  41.140
   55    H6     U   5           H6         U   5  43.555  47.035  43.037
   56   1H5*    C   6          1H5*        C   6  40.500  50.310  47.754
   57   2H5*    C   6          2H5*        C   6  40.205  51.141  49.321
   58    H4*    C   6           H4*        C   6  37.893  50.870  48.398
   59    H3*    C   6           H3*        C   6  38.370  48.293  49.915
   60    H2*    C   6           H2*        C   6  36.311  47.538  49.302
   61   2HO*    C   6          2HO*        C   6  34.851  49.082  48.107
   62    H1*    C   6           H1*        C   6  36.306  48.559  46.726
   63   1H4     C   6          1H4         C   6  38.234  42.963  44.857
   64   2H4     C   6          2H4         C   6  39.489  42.851  46.121
   65    H5     C   6           H5         C   6  39.919  44.616  47.678
   66    H6     C   6           H6         C   6  38.972  46.603  48.671
   67   1H5*    G   7          1H5*        G   7  34.494  49.392  51.652
   68   2H5*    G   7          2H5*        G   7  34.535  48.858  53.285
   69    H4*    G   7           H4*        G   7  32.982  47.672  51.987
   70    H3*    G   7           H3*        G   7  35.178  45.991  53.238
   71    H2*    G   7           H2*        G   7  34.132  44.077  52.430
   72   2HO*    G   7          2HO*        G   7  31.928  44.683  52.882
   73    H1*    G   7           H1*        G   7  33.360  45.000  49.915
   74    H8     G   7           H8         G   7  36.743  45.665  51.616
   75    H1     G   7           H1         G   7  36.707  41.012  47.313
   76   1H2     G   7          1H2         G   7  34.548  40.553  46.978
   77   2H2     G   7          2H2         G   7  33.286  41.791  47.076
   78   1H5*    G   8          1H5*        G   8  30.788  45.633  54.413
   79   2H5*    G   8          2H5*        G   8  30.684  45.045  55.996
   80    H4*    G   8           H4*        G   8  28.998  44.293  54.414
   81    H3*    G   8           H3*        G   8  29.564  43.316  56.654
   82    H2*    G   8           H2*        G   8  31.495  42.125  55.944
   83   2HO*    G   8          2HO*        G   8  29.471  40.062  55.995
   84    H1*    G   8           H1*        G   8  30.320  40.832  53.526
   85    H8     G   8           H8         G   8  33.652  42.241  55.018
   86    H1     G   8           H1         G   8  34.164  39.707  49.143
   87   1H2     G   8          1H2         G   8  32.408  39.106  48.455
   88   2H2     G   8          2H2         G   8  30.880  39.326  49.292
   89   1H5*    G   9          1H5*        G   9  27.329  40.418  53.844
   90   2H5*    G   9          2H5*        G   9  26.121  39.400  54.653
   91    H4*    G   9           H4*        G   9  27.169  38.014  53.203
   92    H3*    G   9           H3*        G   9  27.209  37.529  55.971
   93    H2*    G   9           H2*        G   9  29.507  37.848  56.350
   94   2HO*    G   9          2HO*        G   9  29.156  35.225  55.308
   95    H1*    G   9           H1*        G   9  29.836  36.658  53.554
   96    H8     G   9           H8         G   9  31.878  38.557  56.149
   97    H1     G   9           H1         G   9  35.219  36.672  51.058
   98   1H2     G   9          1H2         G   9  33.841  35.538  49.648
   99   2H2     G   9          2H2         G   9  32.085  35.364  49.951
  100   1H5*    A  10          1H5*        A  10  26.755  36.170  51.572
  101   2H5*    A  10          2H5*        A  10  25.092  35.767  51.177
  102    H4*    A  10           H4*        A  10  26.578  34.592  49.792
  103    H3*    A  10           H3*        A  10  24.702  32.985  51.100
  104    H2*    A  10           H2*        A  10  26.085  32.487  52.830
  105   2HO*    A  10          2HO*        A  10  26.467  30.419  50.907
  106    H1*    A  10           H1*        A  10  28.636  31.975  51.268
  107    H8     A  10           H8         A  10  26.909  32.648  54.726
  108   1H6     A  10          1H6         A  10  32.842  33.007  56.683
  109   2H6     A  10          2H6         A  10  31.174  32.636  57.145
  110    H2     A  10           H2         A  10  32.876  33.695  52.398
  111   1H5*    U  11          1H5*        U  11  26.608  32.636  46.888
  112   2H5*    U  11          2H5*        U  11  25.332  31.866  45.820
  113    H4*    U  11           H4*        U  11  27.558  31.804  44.721
  114    H3*    U  11           H3*        U  11  26.010  29.642  44.915
  115    H2*    U  11           H2*        U  11  26.895  28.903  47.088
  116   2HO*    U  11          2HO*        U  11  28.376  27.665  44.938
  117    H1*    U  11           H1*        U  11  29.621  29.502  45.920
  118    H3     U  11           H3         U  11  31.867  27.940  49.190
  119    H5     U  11           H5         U  11  28.602  29.340  51.286
  120    H6     U  11           H6         U  11  27.685  30.178  49.115
  121   1H5*    G  12          1H5*        G  12  29.796  31.466  41.283
  122   2H5*    G  12          2H5*        G  12  30.137  30.702  42.887
  123    H4*    G  12           H4*        G  12  29.196  33.498  42.755
  124    H3*    G  12           H3*        G  12  31.438  33.129  41.305
  125    H2*    G  12           H2*        G  12  32.714  31.897  43.174
  126   2HO*    G  12          2HO*        G  12  33.819  33.897  42.468
  127    H1*    G  12           H1*        G  12  31.415  34.084  44.888
  128    H8     G  12           H8         G  12  33.259  30.691  45.207
  129    H1     G  12           H1         G  12  30.998  33.199  50.704
  130   1H2     G  12          1H2         G  12  29.787  34.782  50.315
  131   2H2     G  12          2H2         G  12  29.271  35.284  48.740
  132   1H5*    G  13          1H5*        G  13  29.604  36.827  43.487
  133   2H5*    G  13          2H5*        G  13  28.720  37.450  42.180
  134    H4*    G  13           H4*        G  13  29.055  39.083  43.641
  135    H3*    G  13           H3*        G  13  30.658  39.607  41.096
  136    H2*    G  13           H2*        G  13  31.396  41.522  41.973
  137   2HO*    G  13          2HO*        G  13  29.463  42.329  42.417
  138    H1*    G  13           H1*        G  13  31.251  40.928  44.629
  139    H8     G  13           H8         G  13  33.405  38.436  42.757
  140    H1     G  13           H1         G  13  36.276  43.997  44.393
  141   1H2     G  13          1H2         G  13  34.568  45.577  44.915
  142   2H2     G  13          2H2         G  13  33.002  44.866  45.158
  143   1H5*    A  14          1H5*        A  14  28.313  44.002  39.417
  144   2H5*    A  14          2H5*        A  14  29.957  43.371  39.148
  145    H4*    A  14           H4*        A  14  29.378  45.052  41.488
  146    H3*    A  14           H3*        A  14  30.985  45.421  38.961
  147    H2*    A  14           H2*        A  14  32.444  46.831  40.297
  148   2HO*    A  14          2HO*        A  14  30.213  47.541  41.364
  149    H1*    A  14           H1*        A  14  32.248  45.270  42.516
  150    H8     A  14           H8         A  14  32.779  42.935  39.822
  151   1H6     A  14          1H6         A  14  38.887  43.949  40.535
  152   2H6     A  14          2H6         A  14  37.683  43.067  39.521
  153    H2     A  14           H2         A  14  36.728  47.043  42.680
  154   1H5*    U  15          1H5*        U  15  30.293  49.653  40.060
  155   2H5*    U  15          2H5*        U  15  30.504  50.610  38.560
  156    H4*    U  15           H4*        U  15  32.221  51.085  40.415
  157    H3*    U  15           H3*        U  15  32.959  50.280  37.573
  158    H2*    U  15           H2*        U  15  35.191  50.564  38.026
  159   2HO*    U  15          2HO*        U  15  35.244  52.536  38.963
  160    H1*    U  15           H1*        U  15  35.010  49.715  40.777
  161    H3     U  15           H3         U  15  38.018  46.936  38.883
  162    H5     U  15           H5         U  15  34.464  45.832  37.061
  163    H6     U  15           H6         U  15  33.270  47.546  38.370
  164   1H5*    C  16          1H5*        C  16  34.683  54.442  38.611
  165   2H5*    C  16          2H5*        C  16  34.510  55.332  37.134
  166    H4*    C  16           H4*        C  16  36.659  55.309  38.079
  167    H3*    C  16           H3*        C  16  36.765  53.892  35.410
  168    H2*    C  16           H2*        C  16  39.170  54.016  35.695
  169   2HO*    C  16          2HO*        C  16  40.245  55.278  37.072
  170    H1*    C  16           H1*        C  16  38.996  53.372  38.430
  171   1H4     C  16          1H4         C  16  39.647  47.517  36.201
  172   2H4     C  16          2H4         C  16  37.993  47.790  35.513
  173    H5     C  16           H5         C  16  36.590  49.455  35.643
  174    H6     C  16           H6         C  16  36.579  51.669  36.046
  175   1H5*    U  17          1H5*        U  17  39.471  57.120  35.389
  176   2H5*    U  17          2H5*        U  17  39.152  58.273  34.052
  177    H4*    U  17           H4*        U  17  41.626  57.676  33.949
  178    H3*    U  17           H3*        U  17  40.224  55.960  31.957
  179    H2*    U  17           H2*        U  17  42.282  54.938  31.494
  180   2HO*    U  17          2HO*        U  17  43.470  57.171  31.913
  181    H1*    U  17           H1*        U  17  42.961  54.548  34.117
  182    H3     U  17           H3         U  17  42.082  50.473  33.001
  183    H5     U  17           H5         U  17  38.317  52.064  33.462
  184    H6     U  17           H6         U  17  39.288  54.334  33.336
  185   1H5*    C  18          1H5*        C  18  43.186  57.524  29.770
  186   2H5*    C  18          2H5*        C  18  42.750  57.998  28.093
  187    H4*    C  18           H4*        C  18  44.271  56.363  27.953
  188    H3*    C  18           H3*        C  18  41.616  55.301  27.312
  189    H2*    C  18           H2*        C  18  42.577  53.135  26.912
  190   2HO*    C  18          2HO*        C  18  44.270  53.899  25.447
  191    H1*    C  18           H1*        C  18  44.468  53.300  28.866
  192   1H4     C  18          1H4         C  18  39.552  49.636  30.265
  193   2H4     C  18          2H4         C  18  38.290  50.851  30.023
  194    H5     C  18           H5         C  18  39.036  53.260  29.642
  195    H6     C  18           H6         C  18  41.038  54.655  29.221
  196    H3T    C  18           H3T        C  18  43.789  56.236  25.752
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  44.028  38.760  27.136
    2   2H5*    G   1          2H5*        G   1  42.671  39.665  26.781
    3    H4*    G   1           H4*        G   1  45.463  40.508  25.955
    4    H3*    G   1           H3*        G   1  43.724  41.189  28.292
    5    H2*    G   1           H2*        G   1  44.824  43.284  28.452
    6   2HO*    G   1          2HO*        G   1  46.818  43.662  27.663
    7    H1*    G   1           H1*        G   1  44.786  43.577  25.733
    8    H8     G   1           H8         G   1  41.536  42.204  26.928
    9    H1     G   1           H1         G   1  42.566  48.233  28.805
   10   1H2     G   1          1H2         G   1  44.634  48.767  28.500
   11   2H2     G   1          2H2         G   1  45.726  47.581  27.876
   12    H5T    G   1           H5T        G   1  44.429  38.421  24.845
   13   1H5*    A   2          1H5*        A   2  47.989  42.272  28.902
   14   2H5*    A   2          2H5*        A   2  48.498  41.932  30.510
   15    H4*    A   2           H4*        A   2  49.217  44.082  30.050
   16    H3*    A   2           H3*        A   2  47.226  43.853  32.280
   17    H2*    A   2           H2*        A   2  47.513  46.021  32.579
   18   2HO*    A   2          2HO*        A   2  49.362  47.179  31.632
   19    H1*    A   2           H1*        A   2  47.344  46.914  29.981
   20    H8     A   2           H8         A   2  44.998  44.055  30.683
   21   1H6     A   2          1H6         A   2  41.107  48.344  32.917
   22   2H6     A   2          2H6         A   2  41.375  46.750  32.237
   23    H2     A   2           H2         A   2  45.149  50.201  32.527
   24   1H5*    G   3          1H5*        G   3  50.389  46.285  33.780
   25   2H5*    G   3          2H5*        G   3  50.679  46.035  35.450
   26    H4*    G   3           H4*        G   3  50.097  48.226  35.130
   27    H3*    G   3           H3*        G   3  48.290  46.414  36.753
   28    H2*    G   3           H2*        G   3  47.011  48.476  37.339
   29   2HO*    G   3          2HO*        G   3  49.247  49.570  37.172
   30    H1*    G   3           H1*        G   3  46.883  49.502  34.950
   31    H8     G   3           H8         G   3  46.294  45.731  34.977
   32    H1     G   3           H1         G   3  41.219  49.319  36.676
   33   1H2     G   3          1H2         G   3  42.287  51.273  37.582
   34   2H2     G   3          2H2         G   3  44.025  51.422  37.287
   35   1H5*    G   4          1H5*        G   4  48.923  49.915  39.510
   36   2H5*    G   4          2H5*        G   4  49.172  49.108  41.034
   37    H4*    G   4           H4*        G   4  47.504  50.859  41.054
   38    H3*    G   4           H3*        G   4  46.809  48.130  41.862
   39    H2*    G   4           H2*        G   4  44.502  48.722  42.137
   40   2HO*    G   4          2HO*        G   4  45.309  50.550  43.478
   41    H1*    G   4           H1*        G   4  44.427  50.822  40.399
   42    H8     G   4           H8         G   4  45.368  47.429  38.894
   43    H1     G   4           H1         G   4  39.083  48.656  40.064
   44   1H2     G   4          1H2         G   4  39.010  50.696  40.980
   45   2H2     G   4          2H2         G   4  40.384  51.228  41.915
   46   1H5*    U   5          1H5*        U   5  45.460  48.481  46.735
   47   2H5*    U   5          2H5*        U   5  45.087  47.367  45.599
   48    H4*    U   5           H4*        U   5  43.638  49.947  46.223
   49    H3*    U   5           H3*        U   5  43.198  47.532  47.578
   50    H2*    U   5           H2*        U   5  43.083  46.340  45.485
   51   2HO*    U   5          2HO*        U   5  40.628  46.819  46.784
   52    H1*    U   5           H1*        U   5  41.018  48.411  44.615
   53    H3     U   5           H3         U   5  39.501  45.039  42.015
   54    H5     U   5           H5         U   5  43.654  45.135  41.242
   55    H6     U   5           H6         U   5  43.951  46.609  42.920
   56   1H5*    C   6          1H5*        C   6  39.252  50.928  47.482
   57   2H5*    C   6          2H5*        C   6  39.178  51.767  49.020
   58    H4*    C   6           H4*        C   6  37.037  51.574  48.659
   59    H3*    C   6           H3*        C   6  37.801  48.900  49.946
   60    H2*    C   6           H2*        C   6  35.671  47.911  49.499
   61   2HO*    C   6          2HO*        C   6  33.919  49.397  48.611
   62    H1*    C   6           H1*        C   6  35.297  49.257  47.072
   63   1H4     C   6          1H4         C   6  37.760  43.982  44.608
   64   2H4     C   6          2H4         C   6  39.111  43.942  45.740
   65    H5     C   6           H5         C   6  39.131  45.344  47.656
   66    H6     C   6           H6         C   6  38.389  47.547  48.573
   67   1H5*    G   7          1H5*        G   7  34.300  49.530  51.846
   68   2H5*    G   7          2H5*        G   7  34.371  49.068  53.611
   69    H4*    G   7           H4*        G   7  32.725  47.593  52.540
   70    H3*    G   7           H3*        G   7  35.319  46.367  53.387
   71    H2*    G   7           H2*        G   7  34.594  44.254  52.828
   72   2HO*    G   7          2HO*        G   7  32.284  44.505  53.547
   73    H1*    G   7           H1*        G   7  33.321  45.051  50.470
   74    H8     G   7           H8         G   7  36.890  46.006  51.937
   75    H1     G   7           H1         G   7  36.460  41.845  47.043
   76   1H2     G   7          1H2         G   7  34.534  41.680  46.364
   77   2H2     G   7          2H2         G   7  33.275  42.572  47.450
   78   1H5*    G   8          1H5*        G   8  31.307  46.249  55.232
   79   2H5*    G   8          2H5*        G   8  31.415  45.889  56.883
   80    H4*    G   8           H4*        G   8  29.386  44.999  55.414
   81    H3*    G   8           H3*        G   8  30.206  43.684  57.721
   82    H2*    G   8           H2*        G   8  31.982  42.528  56.645
   83   2HO*    G   8          2HO*        G   8  29.730  40.764  56.823
   84    H1*    G   8           H1*        G   8  29.893  41.681  54.552
   85    H8     G   8           H8         G   8  33.662  42.180  55.471
   86    H1     G   8           H1         G   8  32.610  40.516  49.392
   87   1H2     G   8          1H2         G   8  30.627  40.774  48.993
   88   2H2     G   8          2H2         G   8  29.442  41.269  50.151
   89   1H5*    G   9          1H5*        G   9  27.522  41.249  54.921
   90   2H5*    G   9          2H5*        G   9  26.177  40.542  55.698
   91    H4*    G   9           H4*        G   9  26.934  39.093  53.937
   92    H3*    G   9           H3*        G   9  26.663  38.161  56.480
   93    H2*    G   9           H2*        G   9  28.935  38.478  56.913
   94   2HO*    G   9          2HO*        G   9  28.449  35.692  56.119
   95    H1*    G   9           H1*        G   9  29.427  37.021  54.289
   96    H8     G   9           H8         G   9  31.597  38.414  56.996
   97    H1     G   9           H1         G   9  34.269  37.257  51.322
   98   1H2     G   9          1H2         G   9  32.812  36.835  49.876
   99   2H2     G   9          2H2         G   9  31.168  37.374  50.114
  100   1H5*    A  10          1H5*        A  10  26.730  36.242  52.070
  101   2H5*    A  10          2H5*        A  10  24.943  36.281  51.721
  102    H4*    A  10           H4*        A  10  25.672  34.694  50.268
  103    H3*    A  10           H3*        A  10  24.024  33.621  52.234
  104    H2*    A  10           H2*        A  10  25.442  32.846  53.672
  105   2HO*    A  10          2HO*        A  10  25.102  30.919  51.785
  106    H1*    A  10           H1*        A  10  27.729  31.936  52.015
  107    H8     A  10           H8         A  10  26.744  33.096  55.327
  108   1H6     A  10          1H6         A  10  32.473  35.269  56.203
  109   2H6     A  10          2H6         A  10  30.888  34.981  56.942
  110    H2     A  10           H2         A  10  31.943  34.592  51.895
  111   1H5*    U  11          1H5*        U  11  26.003  33.564  48.130
  112   2H5*    U  11          2H5*        U  11  24.674  33.944  47.127
  113    H4*    U  11           H4*        U  11  26.417  33.126  45.534
  114    H3*    U  11           H3*        U  11  24.119  31.665  45.521
  115    H2*    U  11           H2*        U  11  24.705  29.997  47.157
  116   2HO*    U  11          2HO*        U  11  24.439  28.865  45.213
  117    H1*    U  11           H1*        U  11  27.560  29.921  46.042
  118    H3     U  11           H3         U  11  28.782  26.661  48.899
  119    H5     U  11           H5         U  11  26.967  29.469  51.292
  120    H6     U  11           H6         U  11  26.008  30.608  49.321
  121   1H5*    G  12          1H5*        G  12  27.794  32.668  41.456
  122   2H5*    G  12          2H5*        G  12  27.978  31.984  43.114
  123    H4*    G  12           H4*        G  12  28.406  34.851  42.418
  124    H3*    G  12           H3*        G  12  30.047  32.931  41.246
  125    H2*    G  12           H2*        G  12  30.201  31.789  43.203
  126   2HO*    G  12          2HO*        G  12  32.412  31.483  43.415
  127    H1*    G  12           H1*        G  12  31.071  34.091  44.815
  128    H8     G  12           H8         G  12  30.848  30.377  44.980
  129    H1     G  12           H1         G  12  29.592  33.025  50.722
  130   1H2     G  12          1H2         G  12  29.142  35.045  50.522
  131   2H2     G  12          2H2         G  12  29.038  35.961  49.117
  132   1H5*    G  13          1H5*        G  13  29.491  36.818  43.276
  133   2H5*    G  13          2H5*        G  13  28.640  37.239  41.835
  134    H4*    G  13           H4*        G  13  28.799  39.131  43.706
  135    H3*    G  13           H3*        G  13  30.241  39.564  41.063
  136    H2*    G  13           H2*        G  13  31.061  41.718  42.034
  137   2HO*    G  13          2HO*        G  13  28.968  42.016  42.402
  138    H1*    G  13           H1*        G  13  30.898  40.793  44.758
  139    H8     G  13           H8         G  13  33.331  38.706  43.077
  140    H1     G  13           H1         G  13  35.658  44.502  44.602
  141   1H2     G  13          1H2         G  13  33.926  45.864  44.879
  142   2H2     G  13          2H2         G  13  32.328  45.157  45.139
  143   1H5*    A  14          1H5*        A  14  28.716  44.025  39.119
  144   2H5*    A  14          2H5*        A  14  30.221  42.999  39.086
  145    H4*    A  14           H4*        A  14  29.605  45.093  41.174
  146    H3*    A  14           H3*        A  14  31.438  45.174  38.862
  147    H2*    A  14           H2*        A  14  32.711  46.634  40.143
  148   2HO*    A  14          2HO*        A  14  31.863  47.869  41.529
  149    H1*    A  14           H1*        A  14  32.383  45.008  42.523
  150    H8     A  14           H8         A  14  33.061  42.541  39.966
  151   1H6     A  14          1H6         A  14  39.193  43.731  40.186
  152   2H6     A  14          2H6         A  14  37.943  42.710  39.674
  153    H2     A  14           H2         A  14  37.149  46.548  42.872
  154   1H5*    U  15          1H5*        U  15  30.382  49.265  40.458
  155   2H5*    U  15          2H5*        U  15  30.350  50.521  39.192
  156    H4*    U  15           H4*        U  15  31.959  50.830  41.147
  157    H3*    U  15           H3*        U  15  32.853  50.671  38.213
  158    H2*    U  15           H2*        U  15  35.113  51.138  38.725
  159   2HO*    U  15          2HO*        U  15  34.422  52.684  40.808
  160    H1*    U  15           H1*        U  15  35.141  49.638  41.144
  161    H3     U  15           H3         U  15  38.105  47.088  38.584
  162    H5     U  15           H5         U  15  34.281  46.164  37.194
  163    H6     U  15           H6         U  15  33.418  48.050  38.397
  164   1H5*    C  16          1H5*        C  16  34.875  54.416  39.998
  165   2H5*    C  16          2H5*        C  16  34.561  55.621  38.923
  166    H4*    C  16           H4*        C  16  36.915  55.758  39.211
  167    H3*    C  16           H3*        C  16  36.518  54.281  36.600
  168    H2*    C  16           H2*        C  16  38.936  54.369  36.402
  169   2HO*    C  16          2HO*        C  16  38.998  56.478  37.299
  170    H1*    C  16           H1*        C  16  39.318  53.610  39.036
  171   1H4     C  16          1H4         C  16  39.332  48.196  36.059
  172   2H4     C  16          2H4         C  16  37.633  48.375  35.574
  173    H5     C  16           H5         C  16  36.260  50.011  36.527
  174    H6     C  16           H6         C  16  36.366  52.212  37.471
  175   1H5*    U  17          1H5*        U  17  39.383  57.566  36.055
  176   2H5*    U  17          2H5*        U  17  39.016  58.114  34.406
  177    H4*    U  17           H4*        U  17  41.454  57.504  34.493
  178    H3*    U  17           H3*        U  17  39.757  55.652  32.850
  179    H2*    U  17           H2*        U  17  41.717  54.749  32.085
  180   2HO*    U  17          2HO*        U  17  42.766  57.260  32.638
  181    H1*    U  17           H1*        U  17  42.961  54.859  34.775
  182    H3     U  17           H3         U  17  42.332  50.337  33.318
  183    H5     U  17           H5         U  17  38.591  51.637  34.187
  184    H6     U  17           H6         U  17  39.384  53.967  34.414
  185   1H5*    C  18          1H5*        C  18  42.572  57.066  30.156
  186   2H5*    C  18          2H5*        C  18  41.876  57.412  28.631
  187    H4*    C  18           H4*        C  18  43.891  56.193  28.272
  188    H3*    C  18           H3*        C  18  41.498  54.586  27.708
  189    H2*    C  18           H2*        C  18  42.707  52.672  27.121
  190   2HO*    C  18          2HO*        C  18  44.459  54.274  26.183
  191    H1*    C  18           H1*        C  18  44.705  52.967  29.019
  192   1H4     C  18          1H4         C  18  40.665  48.550  30.290
  193   2H4     C  18          2H4         C  18  39.422  49.580  30.937
  194    H5     C  18           H5         C  18  39.731  51.942  30.870
  195    H6     C  18           H6         C  18  41.330  53.685  30.307
  196    H3T    C  18           H3T        C  18  41.872  56.107  26.065
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  43.247  38.437  28.420
    2   2H5*    G   1          2H5*        G   1  41.968  39.730  28.301
    3    H4*    G   1           H4*        G   1  44.646  39.789  26.964
    4    H3*    G   1           H3*        G   1  43.353  41.192  29.416
    5    H2*    G   1           H2*        G   1  44.984  42.922  29.225
    6   2HO*    G   1          2HO*        G   1  46.415  41.155  28.035
    7    H1*    G   1           H1*        G   1  44.391  43.012  26.425
    8    H8     G   1           H8         G   1  41.066  42.230  27.869
    9    H1     G   1           H1         G   1  42.466  48.313  29.243
   10   1H2     G   1          1H2         G   1  44.355  48.809  28.182
   11   2H2     G   1          2H2         G   1  45.442  47.473  27.782
   12    H5T    G   1           H5T        G   1  41.464  39.102  26.254
   13   1H5*    A   2          1H5*        A   2  47.215  41.941  29.799
   14   2H5*    A   2          2H5*        A   2  47.923  41.406  31.378
   15    H4*    A   2           H4*        A   2  48.633  43.689  30.567
   16    H3*    A   2           H3*        A   2  46.796  43.843  32.945
   17    H2*    A   2           H2*        A   2  47.021  46.085  33.078
   18   2HO*    A   2          2HO*        A   2  48.555  47.221  31.999
   19    H1*    A   2           H1*        A   2  46.593  46.539  30.495
   20    H8     A   2           H8         A   2  44.509  43.589  31.380
   21   1H6     A   2          1H6         A   2  40.546  48.355  32.759
   22   2H6     A   2          2H6         A   2  40.530  46.556  32.543
   23    H2     A   2           H2         A   2  44.340  49.929  32.350
   24   1H5*    G   3          1H5*        G   3  49.921  45.935  34.443
   25   2H5*    G   3          2H5*        G   3  49.966  45.784  36.292
   26    H4*    G   3           H4*        G   3  49.778  48.137  35.558
   27    H3*    G   3           H3*        G   3  47.738  46.765  37.352
   28    H2*    G   3           H2*        G   3  46.630  48.795  37.661
   29   2HO*    G   3          2HO*        G   3  49.044  49.761  37.304
   30    H1*    G   3           H1*        G   3  46.923  49.640  35.067
   31    H8     G   3           H8         G   3  46.054  45.845  35.288
   32    H1     G   3           H1         G   3  41.058  49.624  36.767
   33   1H2     G   3          1H2         G   3  41.737  51.596  37.016
   34   2H2     G   3          2H2         G   3  43.300  52.191  36.465
   35   1H5*    G   4          1H5*        G   4  48.553  50.082  39.493
   36   2H5*    G   4          2H5*        G   4  48.915  49.565  41.218
   37    H4*    G   4           H4*        G   4  46.794  51.147  40.917
   38    H3*    G   4           H3*        G   4  46.748  48.639  42.493
   39    H2*    G   4           H2*        G   4  44.567  48.393  42.283
   40   2HO*    G   4          2HO*        G   4  44.105  50.074  43.814
   41    H1*    G   4           H1*        G   4  44.226  50.807  40.501
   42    H8     G   4           H8         G   4  45.031  47.302  39.143
   43    H1     G   4           H1         G   4  38.804  48.784  39.734
   44   1H2     G   4          1H2         G   4  38.767  51.063  40.692
   45   2H2     G   4          2H2         G   4  40.343  51.793  40.951
   46   1H5*    U   5          1H5*        U   5  45.430  49.109  47.244
   47   2H5*    U   5          2H5*        U   5  45.376  48.042  45.854
   48    H4*    U   5           H4*        U   5  43.059  49.449  47.367
   49    H3*    U   5           H3*        U   5  44.000  46.970  48.009
   50    H2*    U   5           H2*        U   5  44.071  46.198  45.678
   51   2HO*    U   5          2HO*        U   5  42.331  45.153  47.403
   52    H1*    U   5           H1*        U   5  41.227  47.390  45.733
   53    H3     U   5           H3         U   5  39.580  46.109  41.899
   54    H5     U   5           H5         U   5  43.655  45.169  41.459
   55    H6     U   5           H6         U   5  44.063  46.369  43.560
   56   1H5*    C   6          1H5*        C   6  40.537  49.780  48.391
   57   2H5*    C   6          2H5*        C   6  39.841  49.984  50.030
   58    H4*    C   6           H4*        C   6  38.070  50.171  48.490
   59    H3*    C   6           H3*        C   6  38.142  47.291  49.460
   60    H2*    C   6           H2*        C   6  36.180  46.944  48.369
   61   2HO*    C   6          2HO*        C   6  35.509  49.471  48.787
   62    H1*    C   6           H1*        C   6  36.883  48.338  46.208
   63   1H4     C   6          1H4         C   6  38.321  42.777  44.123
   64   2H4     C   6          2H4         C   6  39.919  42.735  44.967
   65    H5     C   6           H5         C   6  40.144  44.049  47.070
   66    H6     C   6           H6         C   6  39.336  46.138  48.090
   67   1H5*    G   7          1H5*        G   7  34.417  47.432  49.805
   68   2H5*    G   7          2H5*        G   7  34.046  47.016  51.500
   69    H4*    G   7           H4*        G   7  32.776  45.610  49.942
   70    H3*    G   7           H3*        G   7  34.754  44.304  51.624
   71    H2*    G   7           H2*        G   7  34.048  42.322  50.774
   72   2HO*    G   7          2HO*        G   7  31.861  42.657  50.559
   73    H1*    G   7           H1*        G   7  34.206  43.134  48.159
   74    H8     G   7           H8         G   7  36.815  44.268  50.810
   75    H1     G   7           H1         G   7  38.565  39.888  46.531
   76   1H2     G   7          1H2         G   7  36.766  39.669  45.073
   77   2H2     G   7          2H2         G   7  35.314  40.630  45.360
   78   1H5*    G   8          1H5*        G   8  30.433  43.681  51.550
   79   2H5*    G   8          2H5*        G   8  29.881  43.372  53.114
   80    H4*    G   8           H4*        G   8  28.538  42.369  51.188
   81    H3*    G   8           H3*        G   8  28.586  41.325  53.569
   82    H2*    G   8           H2*        G   8  30.814  40.144  53.345
   83   2HO*    G   8          2HO*        G   8  28.674  38.291  52.680
   84    H1*    G   8           H1*        G   8  29.992  38.927  50.730
   85    H8     G   8           H8         G   8  32.790  39.678  52.888
   86    H1     G   8           H1         G   8  34.557  38.323  46.814
   87   1H2     G   8          1H2         G   8  32.900  38.448  45.703
   88   2H2     G   8          2H2         G   8  31.253  38.959  46.262
   89   1H5*    G   9          1H5*        G   9  27.575  38.254  50.354
   90   2H5*    G   9          2H5*        G   9  26.058  37.450  50.692
   91    H4*    G   9           H4*        G   9  27.511  35.743  49.809
   92    H3*    G   9           H3*        G   9  26.439  35.400  52.367
   93    H2*    G   9           H2*        G   9  28.503  36.287  53.298
   94   2HO*    G   9          2HO*        G   9  29.117  33.459  53.134
   95    H1*    G   9           H1*        G   9  29.825  34.411  51.377
   96    H8     G   9           H8         G   9  30.685  36.340  54.291
   97    H1     G   9           H1         G   9  35.514  35.999  49.908
   98   1H2     G   9          1H2         G   9  34.436  34.864  48.148
   99   2H2     G   9          2H2         G   9  32.794  35.080  47.944
  100   1H5*    A  10          1H5*        A  10  27.096  33.983  48.423
  101   2H5*    A  10          2H5*        A  10  26.118  32.845  47.641
  102    H4*    A  10           H4*        A  10  28.598  32.642  46.733
  103    H3*    A  10           H3*        A  10  27.150  30.366  47.438
  104    H2*    A  10           H2*        A  10  28.059  30.421  49.759
  105   2HO*    A  10          2HO*        A  10  28.792  28.473  48.046
  106    H1*    A  10           H1*        A  10  30.638  31.024  48.271
  107    H8     A  10           H8         A  10  28.807  31.348  51.779
  108   1H6     A  10          1H6         A  10  34.159  33.472  53.820
  109   2H6     A  10          2H6         A  10  32.473  33.133  54.305
  110    H2     A  10           H2         A  10  34.863  32.505  49.781
  111   1H5*    U  11          1H5*        U  11  30.324  31.007  44.404
  112   2H5*    U  11          2H5*        U  11  29.103  30.136  43.316
  113    H4*    U  11           H4*        U  11  31.145  30.626  42.216
  114    H3*    U  11           H3*        U  11  30.163  28.049  41.920
  115    H2*    U  11           H2*        U  11  31.730  27.090  43.722
  116   2HO*    U  11          2HO*        U  11  31.948  26.380  41.325
  117    H1*    U  11           H1*        U  11  33.792  28.890  42.512
  118    H3     U  11           H3         U  11  36.817  27.563  45.751
  119    H5     U  11           H5         U  11  33.223  27.749  47.767
  120    H6     U  11           H6         U  11  32.097  28.354  45.714
  121   1H5*    G  12          1H5*        G  12  31.886  32.124  38.334
  122   2H5*    G  12          2H5*        G  12  33.055  31.557  39.476
  123    H4*    G  12           H4*        G  12  31.188  33.906  39.950
  124    H3*    G  12           H3*        G  12  33.639  33.983  38.728
  125    H2*    G  12           H2*        G  12  34.905  32.893  40.322
  126   2HO*    G  12          2HO*        G  12  35.231  35.296  40.140
  127    H1*    G  12           H1*        G  12  33.432  34.386  42.482
  128    H8     G  12           H8         G  12  35.733  31.385  41.880
  129    H1     G  12           H1         G  12  33.691  31.834  47.900
  130   1H2     G  12          1H2         G  12  31.850  33.051  48.051
  131   2H2     G  12          2H2         G  12  31.241  33.978  46.721
  132   1H5*    G  13          1H5*        G  13  30.651  36.729  40.909
  133   2H5*    G  13          2H5*        G  13  29.814  37.659  39.630
  134    H4*    G  13           H4*        G  13  29.484  38.664  41.971
  135    H3*    G  13           H3*        G  13  31.198  40.427  40.210
  136    H2*    G  13           H2*        G  13  31.311  41.887  42.025
  137   2HO*    G  13          2HO*        G  13  30.102  41.937  43.737
  138    H1*    G  13           H1*        G  13  31.964  39.966  43.929
  139    H8     G  13           H8         G  13  33.599  39.117  40.711
  140    H1     G  13           H1         G  13  36.624  43.594  44.049
  141   1H2     G  13          1H2         G  13  35.096  44.885  44.773
  142   2H2     G  13          2H2         G  13  33.458  44.281  45.102
  143   1H5*    A  14          1H5*        A  14  29.565  44.741  39.240
  144   2H5*    A  14          2H5*        A  14  31.187  43.983  39.271
  145    H4*    A  14           H4*        A  14  29.778  45.139  41.750
  146    H3*    A  14           H3*        A  14  31.557  46.244  39.634
  147    H2*    A  14           H2*        A  14  32.884  47.486  41.276
  148   2HO*    A  14          2HO*        A  14  30.480  47.561  42.661
  149    H1*    A  14           H1*        A  14  32.930  45.597  43.079
  150    H8     A  14           H8         A  14  33.024  43.589  40.181
  151   1H6     A  14          1H6         A  14  39.142  44.501  40.605
  152   2H6     A  14          2H6         A  14  37.966  43.499  39.842
  153    H2     A  14           H2         A  14  37.108  47.761  42.783
  154   1H5*    U  15          1H5*        U  15  30.775  49.869  41.354
  155   2H5*    U  15          2H5*        U  15  30.354  50.931  39.888
  156    H4*    U  15           H4*        U  15  32.319  51.578  41.074
  157    H3*    U  15           H3*        U  15  32.680  50.712  38.209
  158    H2*    U  15           H2*        U  15  34.941  51.411  38.436
  159   2HO*    U  15          2HO*        U  15  34.589  53.297  39.469
  160    H1*    U  15           H1*        U  15  35.317  50.421  40.937
  161    H3     U  15           H3         U  15  37.813  47.473  38.931
  162    H5     U  15           H5         U  15  33.937  46.400  37.604
  163    H6     U  15           H6         U  15  33.113  48.308  38.857
  164   1H5*    C  16          1H5*        C  16  34.435  54.836  38.929
  165   2H5*    C  16          2H5*        C  16  34.080  55.814  37.538
  166    H4*    C  16           H4*        C  16  36.420  55.992  38.335
  167    H3*    C  16           H3*        C  16  36.155  54.690  35.687
  168    H2*    C  16           H2*        C  16  38.400  54.217  35.683
  169   2HO*    C  16          2HO*        C  16  38.479  56.603  36.416
  170    H1*    C  16           H1*        C  16  38.894  53.998  38.392
  171   1H4     C  16          1H4         C  16  39.156  48.243  36.371
  172   2H4     C  16          2H4         C  16  37.514  48.029  35.671
  173    H5     C  16           H5         C  16  36.028  50.068  35.903
  174    H6     C  16           H6         C  16  36.038  52.297  36.595
  175   1H5*    U  17          1H5*        U  17  39.504  57.787  35.220
  176   2H5*    U  17          2H5*        U  17  39.148  58.381  33.569
  177    H4*    U  17           H4*        U  17  41.521  57.473  33.894
  178    H3*    U  17           H3*        U  17  39.719  55.785  32.132
  179    H2*    U  17           H2*        U  17  41.719  54.747  31.521
  180   2HO*    U  17          2HO*        U  17  43.482  55.658  31.444
  181    H1*    U  17           H1*        U  17  42.560  54.444  34.292
  182    H3     U  17           H3         U  17  41.813  50.149  33.313
  183    H5     U  17           H5         U  17  38.033  51.936  33.460
  184    H6     U  17           H6         U  17  39.007  54.056  33.625
  185   1H5*    C  18          1H5*        C  18  43.006  57.295  29.732
  186   2H5*    C  18          2H5*        C  18  42.440  57.789  28.080
  187    H4*    C  18           H4*        C  18  44.170  56.116  27.975
  188    H3*    C  18           H3*        C  18  41.679  54.687  27.353
  189    H2*    C  18           H2*        C  18  43.084  52.792  26.855
  190   2HO*    C  18          2HO*        C  18  44.765  54.176  25.956
  191    H1*    C  18           H1*        C  18  44.576  53.130  29.070
  192   1H4     C  18          1H4         C  18  40.062  48.780  30.002
  193   2H4     C  18          2H4         C  18  39.004  50.253  30.174
  194    H5     C  18           H5         C  18  39.418  52.255  30.011
  195    H6     C  18           H6         C  18  41.197  53.988  29.380
  196    H3T    C  18           H3T        C  18  42.770  54.824  25.221
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  43.523  38.700  28.659
    2   2H5*    G   1          2H5*        G   1  42.159  39.785  28.250
    3    H4*    G   1           H4*        G   1  44.958  39.968  27.048
    4    H3*    G   1           H3*        G   1  43.681  41.135  29.574
    5    H2*    G   1           H2*        G   1  45.082  43.088  29.006
    6   2HO*    G   1          2HO*        G   1  46.694  41.423  28.186
    7    H1*    G   1           H1*        G   1  44.371  43.043  26.311
    8    H8     G   1           H8         G   1  41.439  41.956  28.187
    9    H1     G   1           H1         G   1  42.172  48.332  28.826
   10   1H2     G   1          1H2         G   1  44.215  48.907  28.180
   11   2H2     G   1          2H2         G   1  45.469  47.690  28.150
   12    H5T    G   1           H5T        G   1  42.159  38.721  26.145
   13   1H5*    A   2          1H5*        A   2  47.936  42.008  29.708
   14   2H5*    A   2          2H5*        A   2  48.503  41.540  31.350
   15    H4*    A   2           H4*        A   2  49.010  43.968  30.658
   16    H3*    A   2           H3*        A   2  46.941  43.729  32.805
   17    H2*    A   2           H2*        A   2  47.176  46.081  32.958
   18   2HO*    A   2          2HO*        A   2  49.183  47.009  32.486
   19    H1*    A   2           H1*        A   2  47.128  46.542  30.321
   20    H8     A   2           H8         A   2  44.485  43.710  30.854
   21   1H6     A   2          1H6         A   2  40.576  48.205  32.648
   22   2H6     A   2          2H6         A   2  40.763  46.584  32.029
   23    H2     A   2           H2         A   2  44.532  49.951  32.569
   24   1H5*    G   3          1H5*        G   3  49.846  46.139  34.338
   25   2H5*    G   3          2H5*        G   3  50.205  45.758  36.014
   26    H4*    G   3           H4*        G   3  49.451  48.066  35.765
   27    H3*    G   3           H3*        G   3  47.447  46.511  37.218
   28    H2*    G   3           H2*        G   3  46.359  48.756  37.618
   29   2HO*    G   3          2HO*        G   3  48.696  50.014  36.302
   30    H1*    G   3           H1*        G   3  46.763  49.557  35.182
   31    H8     G   3           H8         G   3  45.806  45.918  35.050
   32    H1     G   3           H1         G   3  40.924  49.897  36.490
   33   1H2     G   3          1H2         G   3  41.650  51.620  37.357
   34   2H2     G   3          2H2         G   3  43.120  52.253  36.760
   35   1H5*    G   4          1H5*        G   4  48.430  49.833  39.533
   36   2H5*    G   4          2H5*        G   4  48.787  49.177  41.212
   37    H4*    G   4           H4*        G   4  47.240  50.997  40.998
   38    H3*    G   4           H3*        G   4  46.911  48.497  42.561
   39    H2*    G   4           H2*        G   4  44.833  48.001  42.156
   40   2HO*    G   4          2HO*        G   4  44.444  49.599  43.843
   41    H1*    G   4           H1*        G   4  44.174  50.565  40.749
   42    H8     G   4           H8         G   4  44.977  47.298  39.168
   43    H1     G   4           H1         G   4  38.641  48.639  39.969
   44   1H2     G   4          1H2         G   4  38.538  50.446  41.178
   45   2H2     G   4          2H2         G   4  40.017  51.064  41.848
   46   1H5*    U   5          1H5*        U   5  45.429  49.345  47.346
   47   2H5*    U   5          2H5*        U   5  45.597  47.847  46.235
   48    H4*    U   5           H4*        U   5  43.157  49.447  47.152
   49    H3*    U   5           H3*        U   5  44.152  47.029  48.111
   50    H2*    U   5           H2*        U   5  44.090  46.149  45.961
   51   2HO*    U   5          2HO*        U   5  42.533  45.054  47.813
   52    H1*    U   5           H1*        U   5  41.271  47.315  46.020
   53    H3     U   5           H3         U   5  39.567  45.995  42.077
   54    H5     U   5           H5         U   5  43.431  44.759  41.801
   55    H6     U   5           H6         U   5  44.010  45.992  43.862
   56   1H5*    C   6          1H5*        C   6  40.383  50.199  49.022
   57   2H5*    C   6          2H5*        C   6  39.626  49.915  50.665
   58    H4*    C   6           H4*        C   6  37.903  50.241  49.204
   59    H3*    C   6           H3*        C   6  38.098  47.365  49.836
   60    H2*    C   6           H2*        C   6  36.043  47.176  48.440
   61   2HO*    C   6          2HO*        C   6  35.241  49.504  49.307
   62    H1*    C   6           H1*        C   6  36.899  48.712  46.418
   63   1H4     C   6          1H4         C   6  38.720  43.414  44.090
   64   2H4     C   6          2H4         C   6  40.030  43.243  45.249
   65    H5     C   6           H5         C   6  40.248  44.453  47.199
   66    H6     C   6           H6         C   6  39.439  46.581  48.266
   67   1H5*    G   7          1H5*        G   7  34.314  48.018  50.648
   68   2H5*    G   7          2H5*        G   7  33.795  47.320  52.107
   69    H4*    G   7           H4*        G   7  32.601  46.376  50.270
   70    H3*    G   7           H3*        G   7  34.422  44.675  51.977
   71    H2*    G   7           H2*        G   7  33.603  42.578  50.772
   72   2HO*    G   7          2HO*        G   7  31.469  43.102  50.810
   73    H1*    G   7           H1*        G   7  33.804  43.561  48.365
   74    H8     G   7           H8         G   7  36.555  44.403  51.073
   75    H1     G   7           H1         G   7  38.338  40.669  46.232
   76   1H2     G   7          1H2         G   7  36.637  40.169  45.019
   77   2H2     G   7          2H2         G   7  35.151  41.170  45.295
   78   1H5*    G   8          1H5*        G   8  29.999  44.141  52.189
   79   2H5*    G   8          2H5*        G   8  29.413  43.385  53.587
   80    H4*    G   8           H4*        G   8  28.236  42.613  51.491
   81    H3*    G   8           H3*        G   8  28.371  41.305  53.786
   82    H2*    G   8           H2*        G   8  30.636  40.445  53.552
   83   2HO*    G   8          2HO*        G   8  28.813  38.449  52.889
   84    H1*    G   8           H1*        G   8  29.946  39.414  50.806
   85    H8     G   8           H8         G   8  32.865  40.038  53.012
   86    H1     G   8           H1         G   8  34.331  39.063  46.934
   87   1H2     G   8          1H2         G   8  32.516  39.014  45.678
   88   2H2     G   8          2H2         G   8  30.946  39.215  46.438
   89   1H5*    G   9          1H5*        G   9  27.783  38.179  50.514
   90   2H5*    G   9          2H5*        G   9  26.169  37.646  50.842
   91    H4*    G   9           H4*        G   9  27.472  35.656  50.128
   92    H3*    G   9           H3*        G   9  26.586  35.510  52.834
   93    H2*    G   9           H2*        G   9  28.768  36.445  53.631
   94   2HO*    G   9          2HO*        G   9  29.094  33.661  53.536
   95    H1*    G   9           H1*        G   9  29.977  34.464  51.540
   96    H8     G   9           H8         G   9  30.927  36.075  54.532
   97    H1     G   9           H1         G   9  35.478  36.477  50.105
   98   1H2     G   9          1H2         G   9  34.650  35.993  48.218
   99   2H2     G   9          2H2         G   9  32.844  36.044  47.995
  100   1H5*    A  10          1H5*        A  10  27.176  33.959  48.943
  101   2H5*    A  10          2H5*        A  10  26.068  32.820  48.090
  102    H4*    A  10           H4*        A  10  28.209  32.897  46.836
  103    H3*    A  10           H3*        A  10  27.126  30.602  47.776
  104    H2*    A  10           H2*        A  10  28.409  30.536  49.957
  105   2HO*    A  10          2HO*        A  10  29.231  28.734  48.098
  106    H1*    A  10           H1*        A  10  30.860  31.261  48.464
  107    H8     A  10           H8         A  10  28.930  31.470  51.846
  108   1H6     A  10          1H6         A  10  34.201  33.648  54.092
  109   2H6     A  10          2H6         A  10  32.534  33.284  54.549
  110    H2     A  10           H2         A  10  34.738  33.563  49.934
  111   1H5*    U  11          1H5*        U  11  29.883  30.935  44.262
  112   2H5*    U  11          2H5*        U  11  28.932  29.997  43.129
  113    H4*    U  11           H4*        U  11  30.827  30.677  42.267
  114    H3*    U  11           H3*        U  11  30.194  27.970  41.989
  115    H2*    U  11           H2*        U  11  31.476  27.182  43.711
  116   2HO*    U  11          2HO*        U  11  32.065  26.223  41.668
  117    H1*    U  11           H1*        U  11  33.738  28.941  42.857
  118    H3     U  11           H3         U  11  36.365  27.687  46.439
  119    H5     U  11           H5         U  11  32.696  28.799  48.138
  120    H6     U  11           H6         U  11  31.745  29.186  45.950
  121   1H5*    G  12          1H5*        G  12  32.151  32.198  38.590
  122   2H5*    G  12          2H5*        G  12  32.914  31.460  40.020
  123    H4*    G  12           H4*        G  12  31.121  33.801  40.343
  124    H3*    G  12           H3*        G  12  33.399  34.095  38.843
  125    H2*    G  12           H2*        G  12  34.657  32.737  40.417
  126   2HO*    G  12          2HO*        G  12  35.530  35.040  39.856
  127    H1*    G  12           H1*        G  12  33.428  34.553  42.578
  128    H8     G  12           H8         G  12  36.371  32.307  42.393
  129    H1     G  12           H1         G  12  33.411  32.293  48.087
  130   1H2     G  12          1H2         G  12  31.533  33.514  47.877
  131   2H2     G  12          2H2         G  12  30.985  33.878  46.295
  132   1H5*    G  13          1H5*        G  13  30.760  36.694  41.333
  133   2H5*    G  13          2H5*        G  13  29.627  37.654  40.188
  134    H4*    G  13           H4*        G  13  29.585  38.651  42.339
  135    H3*    G  13           H3*        G  13  31.319  40.039  40.407
  136    H2*    G  13           H2*        G  13  31.130  41.937  41.848
  137   2HO*    G  13          2HO*        G  13  29.851  41.834  43.718
  138    H1*    G  13           H1*        G  13  31.845  40.367  43.986
  139    H8     G  13           H8         G  13  33.806  38.940  41.156
  140    H1     G  13           H1         G  13  36.312  44.077  44.155
  141   1H2     G  13          1H2         G  13  34.669  44.920  45.475
  142   2H2     G  13          2H2         G  13  33.017  44.286  45.192
  143   1H5*    A  14          1H5*        A  14  28.908  44.650  39.433
  144   2H5*    A  14          2H5*        A  14  30.482  43.991  39.219
  145    H4*    A  14           H4*        A  14  29.528  45.364  41.752
  146    H3*    A  14           H3*        A  14  31.227  46.085  39.261
  147    H2*    A  14           H2*        A  14  32.700  47.459  40.607
  148   2HO*    A  14          2HO*        A  14  30.524  47.519  42.285
  149    H1*    A  14           H1*        A  14  32.675  45.804  42.677
  150    H8     A  14           H8         A  14  33.142  43.465  39.867
  151   1H6     A  14          1H6         A  14  39.127  44.862  40.123
  152   2H6     A  14          2H6         A  14  37.907  43.966  39.281
  153    H2     A  14           H2         A  14  37.070  47.341  43.102
  154   1H5*    U  15          1H5*        U  15  30.606  49.847  41.068
  155   2H5*    U  15          2H5*        U  15  30.177  50.935  39.738
  156    H4*    U  15           H4*        U  15  32.219  51.541  41.007
  157    H3*    U  15           H3*        U  15  32.612  50.784  38.074
  158    H2*    U  15           H2*        U  15  34.951  51.100  38.212
  159   2HO*    U  15          2HO*        U  15  35.092  52.937  39.161
  160    H1*    U  15           H1*        U  15  35.277  49.925  40.689
  161    H3     U  15           H3         U  15  37.551  46.873  38.484
  162    H5     U  15           H5         U  15  33.737  46.465  36.883
  163    H6     U  15           H6         U  15  32.953  48.309  38.330
  164   1H5*    C  16          1H5*        C  16  34.302  55.035  39.201
  165   2H5*    C  16          2H5*        C  16  34.343  55.885  37.723
  166    H4*    C  16           H4*        C  16  36.501  55.934  38.982
  167    H3*    C  16           H3*        C  16  36.192  54.744  36.093
  168    H2*    C  16           H2*        C  16  38.562  54.332  35.972
  169   2HO*    C  16          2HO*        C  16  39.645  55.952  36.507
  170    H1*    C  16           H1*        C  16  39.026  53.826  38.576
  171   1H4     C  16          1H4         C  16  38.979  48.214  36.210
  172   2H4     C  16          2H4         C  16  37.328  48.136  35.522
  173    H5     C  16           H5         C  16  36.020  50.317  35.628
  174    H6     C  16           H6         C  16  36.002  52.548  36.576
  175   1H5*    U  17          1H5*        U  17  39.553  57.919  35.382
  176   2H5*    U  17          2H5*        U  17  39.226  58.525  33.782
  177    H4*    U  17           H4*        U  17  41.649  57.638  33.926
  178    H3*    U  17           H3*        U  17  39.599  56.209  32.225
  179    H2*    U  17           H2*        U  17  41.077  54.645  31.723
  180   2HO*    U  17          2HO*        U  17  42.741  55.692  30.655
  181    H1*    U  17           H1*        U  17  42.945  54.854  33.955
  182    H3     U  17           H3         U  17  42.075  50.348  33.321
  183    H5     U  17           H5         U  17  38.326  51.897  33.651
  184    H6     U  17           H6         U  17  39.222  54.162  34.089
  185   1H5*    C  18          1H5*        C  18  42.645  57.531  29.048
  186   2H5*    C  18          2H5*        C  18  41.607  57.421  27.561
  187    H4*    C  18           H4*        C  18  43.605  56.267  27.231
  188    H3*    C  18           H3*        C  18  41.157  54.611  26.947
  189    H2*    C  18           H2*        C  18  42.930  52.910  26.213
  190   2HO*    C  18          2HO*        C  18  43.948  54.937  25.300
  191    H1*    C  18           H1*        C  18  44.591  53.330  28.060
  192   1H4     C  18          1H4         C  18  40.400  48.662  29.613
  193   2H4     C  18          2H4         C  18  39.325  49.929  30.153
  194    H5     C  18           H5         C  18  39.816  52.162  30.249
  195    H6     C  18           H6         C  18  41.344  53.895  29.453
  196    H3T    C  18           H3T        C  18  41.674  55.219  24.896
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  42.591  39.402  25.476
    2   2H5*    G   1          2H5*        G   1  43.209  38.589  26.944
    3    H4*    G   1           H4*        G   1  44.449  40.456  26.068
    4    H3*    G   1           H3*        G   1  43.118  41.309  28.647
    5    H2*    G   1           H2*        G   1  44.428  43.215  28.622
    6   2HO*    G   1          2HO*        G   1  46.158  43.614  27.352
    7    H1*    G   1           H1*        G   1  43.977  43.715  25.939
    8    H8     G   1           H8         G   1  40.755  42.487  27.286
    9    H1     G   1           H1         G   1  42.189  48.350  29.447
   10   1H2     G   1          1H2         G   1  44.264  48.981  28.494
   11   2H2     G   1          2H2         G   1  44.833  47.687  27.423
   12    H5T    G   1           H5T        G   1  40.870  40.247  26.912
   13   1H5*    A   2          1H5*        A   2  47.330  41.829  29.100
   14   2H5*    A   2          2H5*        A   2  47.961  41.580  30.710
   15    H4*    A   2           H4*        A   2  48.705  43.826  29.829
   16    H3*    A   2           H3*        A   2  46.807  43.750  32.233
   17    H2*    A   2           H2*        A   2  47.273  46.133  32.456
   18   2HO*    A   2          2HO*        A   2  48.981  46.942  31.452
   19    H1*    A   2           H1*        A   2  46.651  46.532  29.835
   20    H8     A   2           H8         A   2  44.258  43.654  30.798
   21   1H6     A   2          1H6         A   2  40.710  48.353  32.901
   22   2H6     A   2          2H6         A   2  40.776  46.709  32.595
   23    H2     A   2           H2         A   2  44.753  49.974  32.289
   24   1H5*    G   3          1H5*        G   3  49.725  46.429  33.304
   25   2H5*    G   3          2H5*        G   3  50.361  46.101  34.880
   26    H4*    G   3           H4*        G   3  49.734  48.480  34.956
   27    H3*    G   3           H3*        G   3  47.616  46.950  36.601
   28    H2*    G   3           H2*        G   3  47.007  49.150  37.213
   29   2HO*    G   3          2HO*        G   3  48.510  50.735  37.191
   30    H1*    G   3           H1*        G   3  46.872  50.094  34.752
   31    H8     G   3           H8         G   3  46.205  46.460  34.343
   32    H1     G   3           H1         G   3  41.428  49.983  36.898
   33   1H2     G   3          1H2         G   3  42.074  51.824  37.383
   34   2H2     G   3          2H2         G   3  43.694  52.336  36.944
   35   1H5*    G   4          1H5*        G   4  48.752  49.863  39.237
   36   2H5*    G   4          2H5*        G   4  48.941  48.992  40.853
   37    H4*    G   4           H4*        G   4  47.548  50.799  41.051
   38    H3*    G   4           H3*        G   4  46.519  48.078  41.484
   39    H2*    G   4           H2*        G   4  44.552  48.896  42.240
   40   2HO*    G   4          2HO*        G   4  45.349  50.527  43.607
   41    H1*    G   4           H1*        G   4  44.428  51.108  40.493
   42    H8     G   4           H8         G   4  45.029  47.553  38.743
   43    H1     G   4           H1         G   4  38.876  48.668  40.663
   44   1H2     G   4          1H2         G   4  39.017  50.660  41.849
   45   2H2     G   4          2H2         G   4  40.600  51.292  42.207
   46   1H5*    U   5          1H5*        U   5  45.816  49.073  46.807
   47   2H5*    U   5          2H5*        U   5  45.351  47.548  46.170
   48    H4*    U   5           H4*        U   5  43.821  50.176  46.656
   49    H3*    U   5           H3*        U   5  43.716  47.720  48.205
   50    H2*    U   5           H2*        U   5  43.409  46.486  46.013
   51   2HO*    U   5          2HO*        U   5  41.444  46.612  47.911
   52    H1*    U   5           H1*        U   5  40.985  48.183  45.613
   53    H3     U   5           H3         U   5  39.301  45.879  42.244
   54    H5     U   5           H5         U   5  43.306  45.465  41.580
   55    H6     U   5           H6         U   5  43.718  47.035  43.574
   56   1H5*    C   6          1H5*        C   6  39.829  50.747  47.824
   57   2H5*    C   6          2H5*        C   6  39.295  51.588  49.223
   58    H4*    C   6           H4*        C   6  37.454  50.594  48.060
   59    H3*    C   6           H3*        C   6  38.103  48.363  50.126
   60    H2*    C   6           H2*        C   6  36.100  47.407  49.344
   61   2HO*    C   6          2HO*        C   6  34.463  48.563  48.508
   62    H1*    C   6           H1*        C   6  36.468  48.699  46.864
   63   1H4     C   6          1H4         C   6  38.034  43.136  44.727
   64   2H4     C   6          2H4         C   6  39.067  42.783  46.167
   65    H5     C   6           H5         C   6  39.552  44.428  47.778
   66    H6     C   6           H6         C   6  38.843  46.636  48.684
   67   1H5*    G   7          1H5*        G   7  34.089  49.205  51.203
   68   2H5*    G   7          2H5*        G   7  34.093  49.031  52.945
   69    H4*    G   7           H4*        G   7  32.364  47.599  51.713
   70    H3*    G   7           H3*        G   7  34.446  46.252  53.280
   71    H2*    G   7           H2*        G   7  33.667  44.194  52.642
   72   2HO*    G   7          2HO*        G   7  31.347  44.426  52.788
   73    H1*    G   7           H1*        G   7  32.966  44.923  50.133
   74    H8     G   7           H8         G   7  36.273  45.412  52.349
   75    H1     G   7           H1         G   7  36.919  41.093  47.606
   76   1H2     G   7          1H2         G   7  35.187  41.218  46.165
   77   2H2     G   7          2H2         G   7  33.689  41.991  46.710
   78   1H5*    G   8          1H5*        G   8  30.189  45.965  54.269
   79   2H5*    G   8          2H5*        G   8  29.957  45.944  56.092
   80    H4*    G   8           H4*        G   8  28.353  44.498  54.620
   81    H3*    G   8           H3*        G   8  29.094  44.024  57.172
   82    H2*    G   8           H2*        G   8  31.174  42.962  56.428
   83   2HO*    G   8          2HO*        G   8  29.444  40.614  56.724
   84    H1*    G   8           H1*        G   8  29.460  41.490  54.281
   85    H8     G   8           H8         G   8  32.674  41.616  55.971
   86    H1     G   8           H1         G   8  33.722  41.390  49.616
   87   1H2     G   8          1H2         G   8  31.771  41.585  48.605
   88   2H2     G   8          2H2         G   8  30.342  41.808  49.556
   89   1H5*    G   9          1H5*        G   9  27.361  40.769  54.981
   90   2H5*    G   9          2H5*        G   9  25.974  39.915  55.751
   91    H4*    G   9           H4*        G   9  27.376  38.483  54.569
   92    H3*    G   9           H3*        G   9  26.989  38.008  57.349
   93    H2*    G   9           H2*        G   9  29.353  38.531  57.773
   94   2HO*    G   9          2HO*        G   9  29.579  35.707  57.177
   95    H1*    G   9           H1*        G   9  29.668  37.000  55.183
   96    H8     G   9           H8         G   9  31.988  37.808  57.869
   97    H1     G   9           H1         G   9  34.632  38.355  52.015
   98   1H2     G   9          1H2         G   9  32.960  38.427  50.486
   99   2H2     G   9          2H2         G   9  31.286  38.237  50.932
  100   1H5*    A  10          1H5*        A  10  27.136  36.574  53.308
  101   2H5*    A  10          2H5*        A  10  25.438  36.383  52.833
  102    H4*    A  10           H4*        A  10  26.379  35.500  51.090
  103    H3*    A  10           H3*        A  10  25.306  33.390  52.271
  104    H2*    A  10           H2*        A  10  27.064  33.070  53.906
  105   2HO*    A  10          2HO*        A  10  26.783  31.186  52.424
  106    H1*    A  10           H1*        A  10  29.145  33.026  51.820
  107    H8     A  10           H8         A  10  28.392  33.400  55.468
  108   1H6     A  10          1H6         A  10  34.385  34.828  56.243
  109   2H6     A  10          2H6         A  10  32.920  34.330  56.989
  110    H2     A  10           H2         A  10  33.501  34.970  51.915
  111   1H5*    U  11          1H5*        U  11  27.318  33.857  48.140
  112   2H5*    U  11          2H5*        U  11  26.056  33.722  46.947
  113    H4*    U  11           H4*        U  11  27.889  32.866  45.955
  114    H3*    U  11           H3*        U  11  25.531  31.331  46.387
  115    H2*    U  11           H2*        U  11  26.573  30.083  48.134
  116   2HO*    U  11          2HO*        U  11  27.008  28.734  45.666
  117    H1*    U  11           H1*        U  11  29.024  29.910  46.414
  118    H3     U  11           H3         U  11  31.265  27.199  49.336
  119    H5     U  11           H5         U  11  29.063  29.622  51.913
  120    H6     U  11           H6         U  11  27.928  30.594  50.057
  121   1H5*    G  12          1H5*        G  12  28.747  31.953  42.364
  122   2H5*    G  12          2H5*        G  12  29.097  31.765  44.006
  123    H4*    G  12           H4*        G  12  29.283  34.625  42.875
  124    H3*    G  12           H3*        G  12  30.834  32.726  41.783
  125    H2*    G  12           H2*        G  12  31.442  31.753  43.872
  126   2HO*    G  12          2HO*        G  12  33.352  33.360  42.713
  127    H1*    G  12           H1*        G  12  32.185  34.412  44.991
  128    H8     G  12           H8         G  12  32.768  31.035  45.776
  129    H1     G  12           H1         G  12  30.625  34.372  50.898
  130   1H2     G  12          1H2         G  12  29.628  36.118  50.273
  131   2H2     G  12          2H2         G  12  29.520  36.450  48.574
  132   1H5*    G  13          1H5*        G  13  30.422  36.627  43.482
  133   2H5*    G  13          2H5*        G  13  29.146  37.008  42.310
  134    H4*    G  13           H4*        G  13  29.332  38.992  43.619
  135    H3*    G  13           H3*        G  13  31.036  39.564  41.090
  136    H2*    G  13           H2*        G  13  31.409  41.605  42.034
  137   2HO*    G  13          2HO*        G  13  29.124  42.044  42.591
  138    H1*    G  13           H1*        G  13  31.372  40.705  44.697
  139    H8     G  13           H8         G  13  33.754  38.551  42.793
  140    H1     G  13           H1         G  13  36.084  44.395  44.077
  141   1H2     G  13          1H2         G  13  34.489  45.565  45.027
  142   2H2     G  13          2H2         G  13  32.960  44.829  45.403
  143   1H5*    A  14          1H5*        A  14  29.317  43.693  38.980
  144   2H5*    A  14          2H5*        A  14  30.953  43.030  39.356
  145    H4*    A  14           H4*        A  14  29.462  44.859  41.346
  146    H3*    A  14           H3*        A  14  31.194  45.383  38.920
  147    H2*    A  14           H2*        A  14  32.854  46.607  40.094
  148   2HO*    A  14          2HO*        A  14  30.770  47.231  41.743
  149    H1*    A  14           H1*        A  14  32.635  45.347  42.627
  150    H8     A  14           H8         A  14  32.936  42.715  39.904
  151   1H6     A  14          1H6         A  14  39.007  44.307  40.341
  152   2H6     A  14          2H6         A  14  37.909  43.055  39.833
  153    H2     A  14           H2         A  14  36.742  47.437  42.144
  154   1H5*    U  15          1H5*        U  15  30.379  49.504  40.172
  155   2H5*    U  15          2H5*        U  15  30.118  50.521  38.815
  156    H4*    U  15           H4*        U  15  31.985  51.338  40.177
  157    H3*    U  15           H3*        U  15  32.775  50.178  37.561
  158    H2*    U  15           H2*        U  15  34.882  50.821  38.035
  159   2HO*    U  15          2HO*        U  15  34.693  52.861  39.029
  160    H1*    U  15           H1*        U  15  35.044  50.132  40.571
  161    H3     U  15           H3         U  15  37.943  47.325  38.532
  162    H5     U  15           H5         U  15  34.409  46.073  36.963
  163    H6     U  15           H6         U  15  33.201  47.760  38.417
  164   1H5*    C  16          1H5*        C  16  33.754  54.676  38.257
  165   2H5*    C  16          2H5*        C  16  34.074  55.349  36.624
  166    H4*    C  16           H4*        C  16  35.762  55.845  38.297
  167    H3*    C  16           H3*        C  16  36.390  54.202  35.799
  168    H2*    C  16           H2*        C  16  38.715  54.510  36.253
  169   2HO*    C  16          2HO*        C  16  39.420  55.796  37.775
  170    H1*    C  16           H1*        C  16  38.549  54.018  38.794
  171   1H4     C  16          1H4         C  16  39.688  48.165  36.520
  172   2H4     C  16          2H4         C  16  38.205  48.246  35.586
  173    H5     C  16           H5         C  16  36.584  49.827  35.791
  174    H6     C  16           H6         C  16  36.223  52.204  36.495
  175   1H5*    U  17          1H5*        U  17  39.095  57.397  35.664
  176   2H5*    U  17          2H5*        U  17  39.085  58.202  34.032
  177    H4*    U  17           H4*        U  17  41.478  57.547  34.704
  178    H3*    U  17           H3*        U  17  40.156  55.960  32.608
  179    H2*    U  17           H2*        U  17  42.505  54.891  32.345
  180   2HO*    U  17          2HO*        U  17  43.312  57.197  33.041
  181    H1*    U  17           H1*        U  17  42.866  54.598  34.994
  182    H3     U  17           H3         U  17  42.175  50.454  33.141
  183    H5     U  17           H5         U  17  38.315  51.972  33.955
  184    H6     U  17           H6         U  17  39.313  54.168  34.281
  185   1H5*    C  18          1H5*        C  18  43.810  56.975  30.890
  186   2H5*    C  18          2H5*        C  18  43.517  57.504  29.283
  187    H4*    C  18           H4*        C  18  45.266  55.807  29.377
  188    H3*    C  18           H3*        C  18  42.834  54.648  28.264
  189    H2*    C  18           H2*        C  18  44.041  52.896  27.612
  190   2HO*    C  18          2HO*        C  18  45.963  54.231  27.116
  191    H1*    C  18           H1*        C  18  45.227  52.512  30.144
  192   1H4     C  18          1H4         C  18  40.205  48.839  29.975
  193   2H4     C  18          2H4         C  18  39.189  50.248  30.076
  194    H5     C  18           H5         C  18  39.889  52.414  30.638
  195    H6     C  18           H6         C  18  41.819  53.909  30.438
  196    H3T    C  18           H3T        C  18  43.407  56.087  26.768
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  44.148  38.543  27.640
    2   2H5*    G   1          2H5*        G   1  42.709  39.268  27.054
    3    H4*    G   1           H4*        G   1  45.394  40.381  26.269
    4    H3*    G   1           H3*        G   1  43.996  40.850  28.964
    5    H2*    G   1           H2*        G   1  45.040  43.072  28.810
    6   2HO*    G   1          2HO*        G   1  46.897  43.279  27.555
    7    H1*    G   1           H1*        G   1  44.731  43.380  26.037
    8    H8     G   1           H8         G   1  41.661  41.697  27.634
    9    H1     G   1           H1         G   1  42.163  47.933  29.120
   10   1H2     G   1          1H2         G   1  44.428  48.550  28.688
   11   2H2     G   1          2H2         G   1  45.511  47.349  28.052
   12    H5T    G   1           H5T        G   1  43.185  37.589  25.785
   13   1H5*    A   2          1H5*        A   2  48.130  42.109  29.271
   14   2H5*    A   2          2H5*        A   2  48.551  41.610  30.842
   15    H4*    A   2           H4*        A   2  49.182  43.902  30.353
   16    H3*    A   2           H3*        A   2  46.925  43.685  32.389
   17    H2*    A   2           H2*        A   2  47.161  46.087  32.636
   18   2HO*    A   2          2HO*        A   2  49.668  45.646  31.635
   19    H1*    A   2           H1*        A   2  47.294  46.627  30.103
   20    H8     A   2           H8         A   2  44.999  43.811  30.965
   21   1H6     A   2          1H6         A   2  41.065  48.420  32.265
   22   2H6     A   2          2H6         A   2  41.203  46.671  32.177
   23    H2     A   2           H2         A   2  44.982  50.138  32.019
   24   1H5*    G   3          1H5*        G   3  49.979  46.017  33.757
   25   2H5*    G   3          2H5*        G   3  50.417  45.682  35.399
   26    H4*    G   3           H4*        G   3  49.840  48.167  35.028
   27    H3*    G   3           H3*        G   3  47.917  46.860  36.933
   28    H2*    G   3           H2*        G   3  46.923  48.904  37.306
   29   2HO*    G   3          2HO*        G   3  49.410  49.617  36.693
   30    H1*    G   3           H1*        G   3  46.976  49.643  34.547
   31    H8     G   3           H8         G   3  46.187  45.866  34.764
   32    H1     G   3           H1         G   3  41.199  49.878  35.900
   33   1H2     G   3          1H2         G   3  42.205  51.746  36.997
   34   2H2     G   3          2H2         G   3  43.908  51.891  36.911
   35   1H5*    G   4          1H5*        G   4  48.168  50.348  38.844
   36   2H5*    G   4          2H5*        G   4  48.953  50.146  40.457
   37    H4*    G   4           H4*        G   4  46.842  51.337  40.730
   38    H3*    G   4           H3*        G   4  46.678  48.471  41.585
   39    H2*    G   4           H2*        G   4  44.646  48.453  41.911
   40   2HO*    G   4          2HO*        G   4  44.639  50.130  43.504
   41    H1*    G   4           H1*        G   4  44.108  51.060  40.458
   42    H8     G   4           H8         G   4  44.893  47.728  38.888
   43    H1     G   4           H1         G   4  38.586  48.858  39.631
   44   1H2     G   4          1H2         G   4  38.401  50.603  40.865
   45   2H2     G   4          2H2         G   4  39.855  51.468  41.530
   46   1H5*    U   5          1H5*        U   5  45.749  49.444  46.595
   47   2H5*    U   5          2H5*        U   5  45.338  47.921  45.821
   48    H4*    U   5           H4*        U   5  43.553  50.246  46.680
   49    H3*    U   5           H3*        U   5  43.669  47.708  47.713
   50    H2*    U   5           H2*        U   5  43.211  46.800  45.464
   51   2HO*    U   5          2HO*        U   5  41.038  46.824  47.241
   52    H1*    U   5           H1*        U   5  40.900  48.672  45.367
   53    H3     U   5           H3         U   5  39.111  46.114  42.090
   54    H5     U   5           H5         U   5  43.166  45.287  41.737
   55    H6     U   5           H6         U   5  43.687  47.206  43.311
   56   1H5*    C   6          1H5*        C   6  39.851  50.545  48.049
   57   2H5*    C   6          2H5*        C   6  39.490  51.120  49.696
   58    H4*    C   6           H4*        C   6  37.465  50.513  48.692
   59    H3*    C   6           H3*        C   6  38.359  48.303  50.746
   60    H2*    C   6           H2*        C   6  36.936  46.761  49.881
   61   2HO*    C   6          2HO*        C   6  35.093  47.896  50.487
   62    H1*    C   6           H1*        C   6  36.108  48.070  47.442
   63   1H4     C   6          1H4         C   6  38.233  43.214  44.435
   64   2H4     C   6          2H4         C   6  39.725  43.124  45.261
   65    H5     C   6           H5         C   6  39.770  44.373  47.577
   66    H6     C   6           H6         C   6  38.872  46.295  48.693
   67   1H5*    G   7          1H5*        G   7  33.573  48.884  51.752
   68   2H5*    G   7          2H5*        G   7  33.624  48.398  53.376
   69    H4*    G   7           H4*        G   7  32.118  46.953  52.046
   70    H3*    G   7           H3*        G   7  34.627  45.678  53.485
   71    H2*    G   7           H2*        G   7  33.921  43.539  52.653
   72   2HO*    G   7          2HO*        G   7  31.833  43.708  53.307
   73    H1*    G   7           H1*        G   7  33.044  44.276  50.204
   74    H8     G   7           H8         G   7  36.202  45.344  52.191
   75    H1     G   7           H1         G   7  37.280  41.558  47.190
   76   1H2     G   7          1H2         G   7  35.465  40.983  46.150
   77   2H2     G   7          2H2         G   7  33.886  41.546  46.556
   78   1H5*    G   8          1H5*        G   8  30.303  44.257  54.278
   79   2H5*    G   8          2H5*        G   8  30.126  44.176  56.058
   80    H4*    G   8           H4*        G   8  28.947  42.636  55.000
   81    H3*    G   8           H3*        G   8  30.222  41.699  57.158
   82    H2*    G   8           H2*        G   8  32.373  41.159  55.747
   83   2HO*    G   8          2HO*        G   8  30.813  39.073  56.517
   84    H1*    G   8           H1*        G   8  30.551  39.805  53.909
   85    H8     G   8           H8         G   8  34.091  40.774  54.647
   86    H1     G   8           H1         G   8  33.177  39.909  48.312
   87   1H2     G   8          1H2         G   8  31.091  39.662  47.989
   88   2H2     G   8          2H2         G   8  29.983  39.179  49.276
   89   1H5*    G   9          1H5*        G   9  28.605  38.404  54.165
   90   2H5*    G   9          2H5*        G   9  27.456  37.503  54.988
   91    H4*    G   9           H4*        G   9  28.622  35.917  53.600
   92    H3*    G   9           H3*        G   9  28.990  35.190  56.259
   93    H2*    G   9           H2*        G   9  31.136  36.262  56.303
   94   2HO*    G   9          2HO*        G   9  31.388  33.571  55.515
   95    H1*    G   9           H1*        G   9  31.572  34.937  53.570
   96    H8     G   9           H8         G   9  33.632  36.525  56.036
   97    H1     G   9           H1         G   9  35.820  36.779  50.057
   98   1H2     G   9          1H2         G   9  34.152  36.524  48.698
   99   2H2     G   9          2H2         G   9  32.495  36.577  49.308
  100   1H5*    A  10          1H5*        A  10  28.454  33.366  51.472
  101   2H5*    A  10          2H5*        A  10  26.997  32.403  51.738
  102    H4*    A  10           H4*        A  10  28.419  31.528  49.831
  103    H3*    A  10           H3*        A  10  27.562  29.750  51.788
  104    H2*    A  10           H2*        A  10  29.429  29.877  53.002
  105   2HO*    A  10          2HO*        A  10  29.820  27.676  51.440
  106    H1*    A  10           H1*        A  10  31.440  29.982  50.838
  107    H8     A  10           H8         A  10  30.889  30.250  54.389
  108   1H6     A  10          1H6         A  10  35.703  34.181  54.750
  109   2H6     A  10          2H6         A  10  34.503  33.328  55.709
  110    H2     A  10           H2         A  10  34.515  33.896  50.558
  111   1H5*    U  11          1H5*        U  11  29.370  30.630  47.766
  112   2H5*    U  11          2H5*        U  11  27.675  31.117  47.578
  113    H4*    U  11           H4*        U  11  28.470  31.405  45.433
  114    H3*    U  11           H3*        U  11  26.830  29.109  45.354
  115    H2*    U  11           H2*        U  11  28.568  27.726  45.647
  116   2HO*    U  11          2HO*        U  11  28.941  26.618  43.703
  117    H1*    U  11           H1*        U  11  30.189  29.498  43.579
  118    H3     U  11           H3         U  11  33.443  26.043  43.348
  119    H5     U  11           H5         U  11  32.217  26.109  47.381
  120    H6     U  11           H6         U  11  30.744  28.000  46.966
  121   1H5*    G  12          1H5*        G  12  28.472  32.198  41.390
  122   2H5*    G  12          2H5*        G  12  29.317  31.482  42.824
  123    H4*    G  12           H4*        G  12  28.970  34.392  42.347
  124    H3*    G  12           H3*        G  12  30.241  33.074  40.350
  125    H2*    G  12           H2*        G  12  31.537  31.513  41.875
  126   2HO*    G  12          2HO*        G  12  33.067  32.903  40.399
  127    H1*    G  12           H1*        G  12  32.318  33.977  43.418
  128    H8     G  12           H8         G  12  33.483  30.734  42.936
  129    H1     G  12           H1         G  12  32.830  31.850  49.142
  130   1H2     G  12          1H2         G  12  31.819  33.561  49.535
  131   2H2     G  12          2H2         G  12  31.158  34.588  48.289
  132   1H5*    G  13          1H5*        G  13  30.369  36.502  42.513
  133   2H5*    G  13          2H5*        G  13  28.883  37.102  41.741
  134    H4*    G  13           H4*        G  13  29.440  38.819  43.468
  135    H3*    G  13           H3*        G  13  30.680  39.548  40.729
  136    H2*    G  13           H2*        G  13  31.428  41.570  41.713
  137   2HO*    G  13          2HO*        G  13  29.443  41.995  42.584
  138    H1*    G  13           H1*        G  13  31.570  40.386  44.370
  139    H8     G  13           H8         G  13  33.764  38.722  41.669
  140    H1     G  13           H1         G  13  36.045  44.151  44.344
  141   1H2     G  13          1H2         G  13  34.547  45.194  45.502
  142   2H2     G  13          2H2         G  13  33.028  44.459  45.772
  143   1H5*    A  14          1H5*        A  14  28.546  44.142  39.635
  144   2H5*    A  14          2H5*        A  14  29.985  43.344  39.288
  145    H4*    A  14           H4*        A  14  29.476  44.948  41.883
  146    H3*    A  14           H3*        A  14  30.492  45.667  39.093
  147    H2*    A  14           H2*        A  14  32.241  46.909  40.194
  148   2HO*    A  14          2HO*        A  14  30.093  47.400  41.838
  149    H1*    A  14           H1*        A  14  32.351  45.379  42.632
  150    H8     A  14           H8         A  14  32.745  43.456  39.339
  151   1H6     A  14          1H6         A  14  38.748  44.466  40.295
  152   2H6     A  14          2H6         A  14  37.711  43.603  39.218
  153    H2     A  14           H2         A  14  36.711  46.566  43.320
  154   1H5*    U  15          1H5*        U  15  30.031  49.802  40.768
  155   2H5*    U  15          2H5*        U  15  29.995  50.624  39.258
  156    H4*    U  15           H4*        U  15  31.806  51.223  40.799
  157    H3*    U  15           H3*        U  15  32.488  50.629  38.006
  158    H2*    U  15           H2*        U  15  34.822  50.903  38.448
  159   2HO*    U  15          2HO*        U  15  34.909  52.800  39.291
  160    H1*    U  15           H1*        U  15  34.864  49.936  41.064
  161    H3     U  15           H3         U  15  37.640  47.379  38.518
  162    H5     U  15           H5         U  15  33.772  46.458  37.083
  163    H6     U  15           H6         U  15  32.868  48.080  38.685
  164   1H5*    C  16          1H5*        C  16  34.654  54.830  39.296
  165   2H5*    C  16          2H5*        C  16  34.535  55.714  37.753
  166    H4*    C  16           H4*        C  16  36.697  55.783  38.904
  167    H3*    C  16           H3*        C  16  36.746  54.415  36.214
  168    H2*    C  16           H2*        C  16  39.248  54.373  36.468
  169   2HO*    C  16          2HO*        C  16  38.602  56.563  37.817
  170    H1*    C  16           H1*        C  16  39.211  53.692  39.022
  171   1H4     C  16          1H4         C  16  39.571  48.460  35.320
  172   2H4     C  16          2H4         C  16  37.824  48.419  35.250
  173    H5     C  16           H5         C  16  36.311  49.859  36.355
  174    H6     C  16           H6         C  16  36.213  52.017  37.579
  175   1H5*    U  17          1H5*        U  17  39.531  57.692  35.974
  176   2H5*    U  17          2H5*        U  17  39.495  58.374  34.532
  177    H4*    U  17           H4*        U  17  41.759  57.649  34.913
  178    H3*    U  17           H3*        U  17  40.288  56.109  32.713
  179    H2*    U  17           H2*        U  17  42.500  55.198  32.046
  180   2HO*    U  17          2HO*        U  17  44.357  56.096  32.619
  181    H1*    U  17           H1*        U  17  43.301  54.796  34.727
  182    H3     U  17           H3         U  17  42.326  50.584  32.727
  183    H5     U  17           H5         U  17  38.570  52.198  33.698
  184    H6     U  17           H6         U  17  39.648  54.179  34.208
  185   1H5*    C  18          1H5*        C  18  43.534  56.921  30.349
  186   2H5*    C  18          2H5*        C  18  43.031  57.409  28.755
  187    H4*    C  18           H4*        C  18  44.357  55.480  28.669
  188    H3*    C  18           H3*        C  18  41.616  54.678  27.727
  189    H2*    C  18           H2*        C  18  42.660  52.737  27.073
  190   2HO*    C  18          2HO*        C  18  44.629  53.535  26.147
  191    H1*    C  18           H1*        C  18  44.237  52.593  29.301
  192   1H4     C  18          1H4         C  18  39.634  48.299  29.784
  193   2H4     C  18          2H4         C  18  38.470  49.581  30.191
  194    H5     C  18           H5         C  18  38.967  51.963  30.013
  195    H6     C  18           H6         C  18  40.800  53.555  29.839
  196    H3T    C  18           H3T        C  18  43.930  55.535  26.301
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  43.680  38.855  25.772
    2   2H5*    G   1          2H5*        G   1  44.320  38.420  27.318
    3    H4*    G   1           H4*        G   1  45.312  40.699  26.381
    4    H3*    G   1           H3*        G   1  43.451  40.952  28.838
    5    H2*    G   1           H2*        G   1  44.451  43.061  28.983
    6   2HO*    G   1          2HO*        G   1  46.584  43.325  28.561
    7    H1*    G   1           H1*        G   1  44.438  43.651  26.352
    8    H8     G   1           H8         G   1  41.179  41.802  27.594
    9    H1     G   1           H1         G   1  41.821  48.001  29.267
   10   1H2     G   1          1H2         G   1  44.144  48.518  28.987
   11   2H2     G   1          2H2         G   1  44.859  47.257  27.999
   12    H5T    G   1           H5T        G   1  42.502  38.112  27.758
   13   1H5*    A   2          1H5*        A   2  47.647  41.545  29.877
   14   2H5*    A   2          2H5*        A   2  47.701  41.638  31.646
   15    H4*    A   2           H4*        A   2  48.503  43.751  30.466
   16    H3*    A   2           H3*        A   2  46.518  43.692  32.776
   17    H2*    A   2           H2*        A   2  46.711  46.039  32.858
   18   2HO*    A   2          2HO*        A   2  49.122  45.783  32.636
   19    H1*    A   2           H1*        A   2  46.868  46.488  30.293
   20    H8     A   2           H8         A   2  44.301  43.811  30.973
   21   1H6     A   2          1H6         A   2  40.763  48.473  33.001
   22   2H6     A   2          2H6         A   2  40.774  46.697  32.835
   23    H2     A   2           H2         A   2  44.631  50.063  32.454
   24   1H5*    G   3          1H5*        G   3  50.013  46.209  34.050
   25   2H5*    G   3          2H5*        G   3  50.445  45.737  35.703
   26    H4*    G   3           H4*        G   3  50.272  48.223  35.611
   27    H3*    G   3           H3*        G   3  48.345  46.798  37.305
   28    H2*    G   3           H2*        G   3  47.601  49.082  37.958
   29   2HO*    G   3          2HO*        G   3  49.978  49.530  37.455
   30    H1*    G   3           H1*        G   3  47.490  50.094  35.429
   31    H8     G   3           H8         G   3  46.455  46.384  35.130
   32    H1     G   3           H1         G   3  41.727  50.361  36.614
   33   1H2     G   3          1H2         G   3  42.693  52.192  37.620
   34   2H2     G   3          2H2         G   3  44.408  52.522  37.477
   35   1H5*    G   4          1H5*        G   4  49.203  50.108  39.519
   36   2H5*    G   4          2H5*        G   4  49.393  49.600  41.160
   37    H4*    G   4           H4*        G   4  47.592  51.163  41.317
   38    H3*    G   4           H3*        G   4  47.026  48.151  41.751
   39    H2*    G   4           H2*        G   4  44.905  48.610  42.092
   40   2HO*    G   4          2HO*        G   4  45.531  50.167  43.881
   41    H1*    G   4           H1*        G   4  44.645  51.085  41.000
   42    H8     G   4           H8         G   4  45.188  47.611  39.239
   43    H1     G   4           H1         G   4  39.126  49.616  40.044
   44   1H2     G   4          1H2         G   4  39.119  51.502  40.874
   45   2H2     G   4          2H2         G   4  40.546  52.291  41.480
   46   1H5*    U   5          1H5*        U   5  45.540  47.563  46.451
   47   2H5*    U   5          2H5*        U   5  44.887  47.181  44.821
   48    H4*    U   5           H4*        U   5  43.768  49.407  46.550
   49    H3*    U   5           H3*        U   5  43.552  46.713  47.319
   50    H2*    U   5           H2*        U   5  42.735  45.911  45.404
   51   2HO*    U   5          2HO*        U   5  40.619  46.646  46.951
   52    H1*    U   5           H1*        U   5  40.950  48.396  45.162
   53    H3     U   5           H3         U   5  39.094  45.786  42.043
   54    H5     U   5           H5         U   5  43.141  45.105  41.431
   55    H6     U   5           H6         U   5  43.679  46.896  42.973
   56   1H5*    C   6          1H5*        C   6  40.414  50.260  48.067
   57   2H5*    C   6          2H5*        C   6  40.044  50.784  49.724
   58    H4*    C   6           H4*        C   6  37.932  50.664  48.572
   59    H3*    C   6           H3*        C   6  38.131  48.153  50.124
   60    H2*    C   6           H2*        C   6  35.945  47.598  49.157
   61   2HO*    C   6          2HO*        C   6  35.054  49.694  49.230
   62    H1*    C   6           H1*        C   6  36.568  48.430  46.649
   63   1H4     C   6          1H4         C   6  38.081  42.890  44.743
   64   2H4     C   6          2H4         C   6  38.777  42.281  46.233
   65    H5     C   6           H5         C   6  39.061  43.947  48.145
   66    H6     C   6           H6         C   6  38.549  46.181  48.854
   67   1H5*    G   7          1H5*        G   7  33.585  50.526  50.366
   68   2H5*    G   7          2H5*        G   7  33.273  49.957  51.957
   69    H4*    G   7           H4*        G   7  31.468  49.499  50.465
   70    H3*    G   7           H3*        G   7  32.894  47.481  52.052
   71    H2*    G   7           H2*        G   7  31.514  45.719  51.414
   72   2HO*    G   7          2HO*        G   7  29.504  46.464  51.502
   73    H1*    G   7           H1*        G   7  31.149  46.527  48.778
   74    H8     G   7           H8         G   7  34.360  46.136  51.142
   75    H1     G   7           H1         G   7  33.566  41.893  46.410
   76   1H2     G   7          1H2         G   7  31.995  42.776  45.040
   77   2H2     G   7          2H2         G   7  30.795  43.838  45.791
   78   1H5*    G   8          1H5*        G   8  28.120  48.117  52.462
   79   2H5*    G   8          2H5*        G   8  27.607  47.826  54.177
   80    H4*    G   8           H4*        G   8  26.317  46.632  52.273
   81    H3*    G   8           H3*        G   8  26.471  46.055  54.837
   82    H2*    G   8           H2*        G   8  28.459  44.848  54.630
   83   2HO*    G   8          2HO*        G   8  26.505  42.769  54.375
   84    H1*    G   8           H1*        G   8  27.417  43.297  52.187
   85    H8     G   8           H8         G   8  30.651  43.966  54.069
   86    H1     G   8           H1         G   8  31.032  40.928  48.400
   87   1H2     G   8          1H2         G   8  28.985  41.336  47.264
   88   2H2     G   8          2H2         G   8  27.718  42.237  48.153
   89   1H5*    G   9          1H5*        G   9  24.178  42.551  52.314
   90   2H5*    G   9          2H5*        G   9  23.056  41.725  53.319
   91    H4*    G   9           H4*        G   9  24.512  40.130  52.416
   92    H3*    G   9           H3*        G   9  23.784  40.197  55.155
   93    H2*    G   9           H2*        G   9  26.155  40.873  55.580
   94   2HO*    G   9          2HO*        G   9  26.113  38.171  55.843
   95    H1*    G   9           H1*        G   9  26.923  38.877  53.550
   96    H8     G   9           H8         G   9  28.470  40.454  56.346
   97    H1     G   9           H1         G   9  32.450  39.054  51.481
   98   1H2     G   9          1H2         G   9  31.467  38.286  49.927
   99   2H2     G   9          2H2         G   9  29.648  38.347  49.853
  100   1H5*    A  10          1H5*        A  10  24.467  37.614  51.507
  101   2H5*    A  10          2H5*        A  10  22.893  37.050  51.027
  102    H4*    A  10           H4*        A  10  24.374  35.479  49.932
  103    H3*    A  10           H3*        A  10  22.524  34.400  51.634
  104    H2*    A  10           H2*        A  10  23.671  34.440  53.576
  105   2HO*    A  10          2HO*        A  10  23.625  32.024  52.338
  106    H1*    A  10           H1*        A  10  26.202  33.327  52.505
  107    H8     A  10           H8         A  10  24.625  35.296  55.041
  108   1H6     A  10          1H6         A  10  30.418  37.437  56.318
  109   2H6     A  10          2H6         A  10  28.827  37.414  57.107
  110    H2     A  10           H2         A  10  30.596  35.606  52.723
  111   1H5*    U  11          1H5*        U  11  24.725  34.235  47.890
  112   2H5*    U  11          2H5*        U  11  23.505  33.983  46.753
  113    H4*    U  11           H4*        U  11  25.759  33.348  45.756
  114    H3*    U  11           H3*        U  11  23.618  31.697  45.679
  115    H2*    U  11           H2*        U  11  24.121  30.445  47.605
  116   2HO*    U  11          2HO*        U  11  24.188  28.422  46.601
  117    H1*    U  11           H1*        U  11  26.983  30.344  46.565
  118    H3     U  11           H3         U  11  28.169  27.588  49.763
  119    H5     U  11           H5         U  11  25.801  30.392  51.801
  120    H6     U  11           H6         U  11  25.230  31.365  49.686
  121   1H5*    G  12          1H5*        G  12  27.727  32.245  42.035
  122   2H5*    G  12          2H5*        G  12  27.934  31.693  43.583
  123    H4*    G  12           H4*        G  12  28.368  34.606  42.875
  124    H3*    G  12           H3*        G  12  30.112  32.687  42.202
  125    H2*    G  12           H2*        G  12  30.353  31.736  44.300
  126   2HO*    G  12          2HO*        G  12  32.175  33.872  44.088
  127    H1*    G  12           H1*        G  12  30.143  34.478  45.600
  128    H8     G  12           H8         G  12  30.096  30.651  46.135
  129    H1     G  12           H1         G  12  28.592  33.984  51.429
  130   1H2     G  12          1H2         G  12  28.069  35.916  51.008
  131   2H2     G  12          2H2         G  12  27.985  36.618  49.484
  132   1H5*    G  13          1H5*        G  13  29.458  37.098  43.502
  133   2H5*    G  13          2H5*        G  13  28.797  37.485  41.871
  134    H4*    G  13           H4*        G  13  29.246  39.357  43.343
  135    H3*    G  13           H3*        G  13  31.175  39.566  40.940
  136    H2*    G  13           H2*        G  13  31.635  41.667  41.604
  137   2HO*    G  13          2HO*        G  13  29.416  42.257  42.165
  138    H1*    G  13           H1*        G  13  31.453  40.938  44.423
  139    H8     G  13           H8         G  13  33.730  38.346  42.900
  140    H1     G  13           H1         G  13  36.491  44.178  43.743
  141   1H2     G  13          1H2         G  13  34.742  45.659  44.275
  142   2H2     G  13          2H2         G  13  33.142  44.973  44.292
  143   1H5*    A  14          1H5*        A  14  28.417  43.972  38.939
  144   2H5*    A  14          2H5*        A  14  29.990  43.419  38.362
  145    H4*    A  14           H4*        A  14  29.076  44.925  40.887
  146    H3*    A  14           H3*        A  14  30.951  45.509  38.499
  147    H2*    A  14           H2*        A  14  32.403  46.957  39.836
  148   2HO*    A  14          2HO*        A  14  30.259  47.491  41.218
  149    H1*    A  14           H1*        A  14  32.173  45.408  42.074
  150    H8     A  14           H8         A  14  32.879  42.910  39.213
  151   1H6     A  14          1H6         A  14  38.854  44.276  40.383
  152   2H6     A  14          2H6         A  14  37.739  42.980  39.881
  153    H2     A  14           H2         A  14  36.373  47.485  42.049
  154   1H5*    U  15          1H5*        U  15  30.206  49.349  39.813
  155   2H5*    U  15          2H5*        U  15  30.634  50.512  38.588
  156    H4*    U  15           H4*        U  15  32.015  50.832  40.600
  157    H3*    U  15           H3*        U  15  33.043  50.639  37.836
  158    H2*    U  15           H2*        U  15  35.278  51.164  38.544
  159   2HO*    U  15          2HO*        U  15  34.864  52.879  40.066
  160    H1*    U  15           H1*        U  15  35.076  49.687  40.906
  161    H3     U  15           H3         U  15  38.229  47.681  38.414
  162    H5     U  15           H5         U  15  34.642  46.416  36.718
  163    H6     U  15           H6         U  15  33.472  47.899  38.117
  164   1H5*    C  16          1H5*        C  16  34.553  54.274  39.245
  165   2H5*    C  16          2H5*        C  16  34.181  55.480  38.039
  166    H4*    C  16           H4*        C  16  36.554  55.793  38.716
  167    H3*    C  16           H3*        C  16  36.449  54.358  36.093
  168    H2*    C  16           H2*        C  16  38.857  54.651  36.105
  169   2HO*    C  16          2HO*        C  16  38.626  56.755  37.462
  170    H1*    C  16           H1*        C  16  39.094  53.720  38.777
  171   1H4     C  16          1H4         C  16  39.739  48.175  36.185
  172   2H4     C  16          2H4         C  16  38.309  48.217  35.202
  173    H5     C  16           H5         C  16  36.439  50.119  35.966
  174    H6     C  16           H6         C  16  36.367  52.357  36.608
  175   1H5*    U  17          1H5*        U  17  39.422  57.820  35.863
  176   2H5*    U  17          2H5*        U  17  39.236  58.411  34.222
  177    H4*    U  17           H4*        U  17  41.337  57.873  34.520
  178    H3*    U  17           H3*        U  17  40.012  56.020  32.658
  179    H2*    U  17           H2*        U  17  42.024  55.097  31.924
  180   2HO*    U  17          2HO*        U  17  43.212  57.192  32.320
  181    H1*    U  17           H1*        U  17  43.000  54.861  34.689
  182    H3     U  17           H3         U  17  42.245  50.621  33.044
  183    H5     U  17           H5         U  17  38.395  52.063  33.775
  184    H6     U  17           H6         U  17  39.321  54.281  34.161
  185   1H5*    C  18          1H5*        C  18  42.900  57.042  30.307
  186   2H5*    C  18          2H5*        C  18  42.417  57.570  28.604
  187    H4*    C  18           H4*        C  18  43.894  55.929  28.392
  188    H3*    C  18           H3*        C  18  41.030  55.192  27.791
  189    H2*    C  18           H2*        C  18  41.832  52.909  26.901
  190   2HO*    C  18          2HO*        C  18  43.407  53.737  25.596
  191    H1*    C  18           H1*        C  18  43.928  52.813  28.717
  192   1H4     C  18          1H4         C  18  39.828  48.359  30.349
  193   2H4     C  18          2H4         C  18  38.549  49.604  30.313
  194    H5     C  18           H5         C  18  38.830  51.841  30.168
  195    H6     C  18           H6         C  18  40.475  53.579  29.640
  196    H3T    C  18           H3T        C  18  41.309  55.771  25.737
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  42.888  39.735  25.735
    2   2H5*    G   1          2H5*        G   1  43.025  39.207  27.456
    3    H4*    G   1           H4*        G   1  44.806  41.053  26.700
    4    H3*    G   1           H3*        G   1  43.155  41.385  29.262
    5    H2*    G   1           H2*        G   1  44.767  43.360  29.427
    6   2HO*    G   1          2HO*        G   1  46.293  43.784  27.977
    7    H1*    G   1           H1*        G   1  44.387  44.135  26.770
    8    H8     G   1           H8         G   1  41.227  42.547  28.537
    9    H1     G   1           H1         G   1  41.791  48.881  29.252
   10   1H2     G   1          1H2         G   1  43.821  49.495  28.926
   11   2H2     G   1          2H2         G   1  45.074  48.420  28.273
   12    H5T    G   1           H5T        G   1  40.744  39.854  26.940
   13   1H5*    A   2          1H5*        A   2  47.297  42.099  29.712
   14   2H5*    A   2          2H5*        A   2  47.992  41.576  31.262
   15    H4*    A   2           H4*        A   2  48.503  43.915  30.996
   16    H3*    A   2           H3*        A   2  46.430  43.286  33.096
   17    H2*    A   2           H2*        A   2  46.601  45.808  33.501
   18   2HO*    A   2          2HO*        A   2  49.021  45.755  33.146
   19    H1*    A   2           H1*        A   2  46.657  46.551  30.845
   20    H8     A   2           H8         A   2  44.271  43.752  32.301
   21   1H6     A   2          1H6         A   2  40.383  48.585  33.415
   22   2H6     A   2          2H6         A   2  40.464  46.813  33.043
   23    H2     A   2           H2         A   2  44.261  50.101  31.862
   24   1H5*    G   3          1H5*        G   3  50.172  45.300  34.735
   25   2H5*    G   3          2H5*        G   3  50.292  44.909  36.496
   26    H4*    G   3           H4*        G   3  50.435  47.300  35.758
   27    H3*    G   3           H3*        G   3  48.171  46.403  37.617
   28    H2*    G   3           H2*        G   3  47.584  48.504  38.105
   29   2HO*    G   3          2HO*        G   3  48.790  50.283  37.673
   30    H1*    G   3           H1*        G   3  47.650  49.243  35.387
   31    H8     G   3           H8         G   3  46.507  45.646  35.882
   32    H1     G   3           H1         G   3  41.619  49.774  36.576
   33   1H2     G   3          1H2         G   3  42.411  51.762  37.003
   34   2H2     G   3          2H2         G   3  44.114  52.069  36.845
   35   1H5*    G   4          1H5*        G   4  49.490  49.291  39.936
   36   2H5*    G   4          2H5*        G   4  49.855  48.679  41.618
   37    H4*    G   4           H4*        G   4  48.062  50.443  41.742
   38    H3*    G   4           H3*        G   4  47.013  47.573  42.099
   39    H2*    G   4           H2*        G   4  45.009  48.628  42.735
   40   2HO*    G   4          2HO*        G   4  46.248  50.381  43.969
   41    H1*    G   4           H1*        G   4  45.360  50.874  40.905
   42    H8     G   4           H8         G   4  45.688  47.696  39.324
   43    H1     G   4           H1         G   4  39.608  49.654  40.078
   44   1H2     G   4          1H2         G   4  39.735  51.593  41.448
   45   2H2     G   4          2H2         G   4  41.215  52.056  42.152
   46   1H5*    U   5          1H5*        U   5  45.478  47.782  47.127
   47   2H5*    U   5          2H5*        U   5  44.739  47.028  45.675
   48    H4*    U   5           H4*        U   5  44.096  49.655  46.915
   49    H3*    U   5           H3*        U   5  43.334  47.226  47.927
   50    H2*    U   5           H2*        U   5  42.689  46.304  45.961
   51   2HO*    U   5          2HO*        U   5  40.516  47.401  47.260
   52    H1*    U   5           H1*        U   5  41.026  48.733  45.325
   53    H3     U   5           H3         U   5  39.295  46.180  42.168
   54    H5     U   5           H5         U   5  43.373  45.223  41.842
   55    H6     U   5           H6         U   5  43.799  46.941  43.560
   56   1H5*    C   6          1H5*        C   6  39.866  50.394  48.546
   57   2H5*    C   6          2H5*        C   6  39.489  50.849  50.196
   58    H4*    C   6           H4*        C   6  37.408  49.972  49.128
   59    H3*    C   6           H3*        C   6  38.758  47.818  50.645
   60    H2*    C   6           H2*        C   6  36.813  46.393  49.963
   61   2HO*    C   6          2HO*        C   6  34.914  47.979  50.286
   62    H1*    C   6           H1*        C   6  36.391  48.001  47.544
   63   1H4     C   6          1H4         C   6  38.339  42.784  44.637
   64   2H4     C   6          2H4         C   6  39.006  42.174  46.211
   65    H5     C   6           H5         C   6  39.476  43.486  47.994
   66    H6     C   6           H6         C   6  38.808  45.700  49.092
   67   1H5*    G   7          1H5*        G   7  34.573  49.686  51.773
   68   2H5*    G   7          2H5*        G   7  34.325  49.330  53.581
   69    H4*    G   7           H4*        G   7  32.255  48.763  52.098
   70    H3*    G   7           H3*        G   7  33.733  46.625  53.678
   71    H2*    G   7           H2*        G   7  32.152  45.141  52.701
   72   2HO*    G   7          2HO*        G   7  30.281  46.355  53.156
   73    H1*    G   7           H1*        G   7  31.721  46.311  50.304
   74    H8     G   7           H8         G   7  35.047  45.453  52.469
   75    H1     G   7           H1         G   7  34.242  42.080  47.030
   76   1H2     G   7          1H2         G   7  32.516  42.302  46.214
   77   2H2     G   7          2H2         G   7  31.335  43.463  46.604
   78   1H5*    G   8          1H5*        G   8  28.609  46.581  54.389
   79   2H5*    G   8          2H5*        G   8  28.724  45.977  56.076
   80    H4*    G   8           H4*        G   8  27.407  44.725  54.267
   81    H3*    G   8           H3*        G   8  28.591  43.698  56.627
   82    H2*    G   8           H2*        G   8  30.424  42.938  55.447
   83   2HO*    G   8          2HO*        G   8  28.625  40.675  55.600
   84    H1*    G   8           H1*        G   8  28.616  41.915  53.290
   85    H8     G   8           H8         G   8  31.965  41.605  54.559
   86    H1     G   8           H1         G   8  31.372  41.085  48.196
   87   1H2     G   8          1H2         G   8  29.765  41.920  47.539
   88   2H2     G   8          2H2         G   8  28.441  42.676  48.374
   89   1H5*    G   9          1H5*        G   9  26.157  40.260  54.104
   90   2H5*    G   9          2H5*        G   9  25.005  39.787  55.446
   91    H4*    G   9           H4*        G   9  25.703  37.966  53.914
   92    H3*    G   9           H3*        G   9  25.603  37.497  56.520
   93    H2*    G   9           H2*        G   9  27.850  38.392  57.002
   94   2HO*    G   9          2HO*        G   9  27.924  35.596  56.521
   95    H1*    G   9           H1*        G   9  28.627  36.476  54.825
   96    H8     G   9           H8         G   9  30.255  38.664  57.321
   97    H1     G   9           H1         G   9  33.745  37.866  51.938
   98   1H2     G   9          1H2         G   9  32.174  37.436  50.210
   99   2H2     G   9          2H2         G   9  30.407  37.433  50.588
  100   1H5*    A  10          1H5*        A  10  26.732  35.249  52.470
  101   2H5*    A  10          2H5*        A  10  25.115  34.836  51.987
  102    H4*    A  10           H4*        A  10  26.489  33.437  50.678
  103    H3*    A  10           H3*        A  10  24.729  32.332  52.402
  104    H2*    A  10           H2*        A  10  26.037  31.870  54.125
  105   2HO*    A  10          2HO*        A  10  25.658  29.622  53.092
  106    H1*    A  10           H1*        A  10  28.453  31.051  52.746
  107    H8     A  10           H8         A  10  27.196  31.111  55.878
  108   1H6     A  10          1H6         A  10  31.832  34.558  58.111
  109   2H6     A  10          2H6         A  10  30.482  33.480  58.497
  110    H2     A  10           H2         A  10  31.819  35.104  53.817
  111   1H5*    U  11          1H5*        U  11  27.060  32.214  48.637
  112   2H5*    U  11          2H5*        U  11  25.889  32.390  47.288
  113    H4*    U  11           H4*        U  11  27.820  31.801  46.250
  114    H3*    U  11           H3*        U  11  25.686  29.846  45.979
  115    H2*    U  11           H2*        U  11  26.540  28.710  48.054
  116   2HO*    U  11          2HO*        U  11  27.100  26.795  47.514
  117    H1*    U  11           H1*        U  11  29.183  28.946  46.725
  118    H3     U  11           H3         U  11  31.496  26.903  50.032
  119    H5     U  11           H5         U  11  28.593  29.109  52.090
  120    H6     U  11           H6         U  11  27.589  29.683  50.055
  121   1H5*    G  12          1H5*        G  12  29.306  31.674  42.838
  122   2H5*    G  12          2H5*        G  12  29.645  31.264  44.421
  123    H4*    G  12           H4*        G  12  29.016  34.270  43.769
  124    H3*    G  12           H3*        G  12  31.101  33.048  42.559
  125    H2*    G  12           H2*        G  12  32.035  32.036  44.385
  126   2HO*    G  12          2HO*        G  12  33.062  34.694  44.179
  127    H1*    G  12           H1*        G  12  31.553  34.263  46.402
  128    H8     G  12           H8         G  12  32.436  30.869  46.140
  129    H1     G  12           H1         G  12  30.531  32.861  51.841
  130   1H2     G  12          1H2         G  12  29.289  34.681  51.592
  131   2H2     G  12          2H2         G  12  29.157  35.574  50.039
  132   1H5*    G  13          1H5*        G  13  29.271  36.899  42.955
  133   2H5*    G  13          2H5*        G  13  28.854  37.327  41.319
  134    H4*    G  13           H4*        G  13  28.889  39.260  43.146
  135    H3*    G  13           H3*        G  13  30.923  39.404  40.869
  136    H2*    G  13           H2*        G  13  31.274  41.777  41.604
  137   2HO*    G  13          2HO*        G  13  29.278  42.399  41.984
  138    H1*    G  13           H1*        G  13  31.079  40.979  44.297
  139    H8     G  13           H8         G  13  33.295  38.736  42.174
  140    H1     G  13           H1         G  13  36.199  43.981  44.464
  141   1H2     G  13          1H2         G  13  34.681  45.589  44.789
  142   2H2     G  13          2H2         G  13  32.987  45.236  44.428
  143   1H5*    A  14          1H5*        A  14  29.636  43.701  38.188
  144   2H5*    A  14          2H5*        A  14  31.142  42.781  38.852
  145    H4*    A  14           H4*        A  14  29.717  44.913  40.459
  146    H3*    A  14           H3*        A  14  31.940  45.386  38.357
  147    H2*    A  14           H2*        A  14  32.935  46.800  39.759
  148   2HO*    A  14          2HO*        A  14  31.607  48.111  40.860
  149    H1*    A  14           H1*        A  14  32.660  45.449  42.075
  150    H8     A  14           H8         A  14  33.295  42.762  39.676
  151   1H6     A  14          1H6         A  14  39.190  44.617  39.940
  152   2H6     A  14          2H6         A  14  38.194  43.393  39.254
  153    H2     A  14           H2         A  14  36.646  47.466  42.352
  154   1H5*    U  15          1H5*        U  15  30.842  49.215  39.937
  155   2H5*    U  15          2H5*        U  15  30.677  50.403  38.666
  156    H4*    U  15           H4*        U  15  32.430  51.085  40.132
  157    H3*    U  15           H3*        U  15  33.461  50.325  37.363
  158    H2*    U  15           H2*        U  15  35.574  51.124  38.093
  159   2HO*    U  15          2HO*        U  15  34.961  52.860  39.240
  160    H1*    U  15           H1*        U  15  35.371  50.016  40.632
  161    H3     U  15           H3         U  15  38.525  47.513  38.781
  162    H5     U  15           H5         U  15  35.166  46.247  36.707
  163    H6     U  15           H6         U  15  33.917  48.006  37.873
  164   1H5*    C  16          1H5*        C  16  34.819  54.516  39.033
  165   2H5*    C  16          2H5*        C  16  34.437  55.528  37.676
  166    H4*    C  16           H4*        C  16  36.670  56.034  38.528
  167    H3*    C  16           H3*        C  16  36.512  54.561  35.818
  168    H2*    C  16           H2*        C  16  38.830  54.719  35.579
  169   2HO*    C  16          2HO*        C  16  38.526  56.857  36.508
  170    H1*    C  16           H1*        C  16  39.335  54.123  38.341
  171   1H4     C  16          1H4         C  16  39.710  48.312  36.088
  172   2H4     C  16          2H4         C  16  37.996  48.506  35.505
  173    H5     C  16           H5         C  16  36.619  50.240  35.752
  174    H6     C  16           H6         C  16  36.455  52.494  36.499
  175   1H5*    U  17          1H5*        U  17  38.833  57.739  35.063
  176   2H5*    U  17          2H5*        U  17  38.518  58.689  33.568
  177    H4*    U  17           H4*        U  17  40.854  58.003  33.593
  178    H3*    U  17           H3*        U  17  39.141  56.352  31.653
  179    H2*    U  17           H2*        U  17  41.365  55.130  31.070
  180   2HO*    U  17          2HO*        U  17  42.226  57.325  31.220
  181    H1*    U  17           H1*        U  17  42.188  55.106  33.645
  182    H3     U  17           H3         U  17  41.406  50.676  32.807
  183    H5     U  17           H5         U  17  37.550  52.375  33.133
  184    H6     U  17           H6         U  17  38.634  54.568  33.122
  185   1H5*    C  18          1H5*        C  18  42.276  57.746  29.016
  186   2H5*    C  18          2H5*        C  18  41.560  57.878  27.406
  187    H4*    C  18           H4*        C  18  43.698  56.348  27.763
  188    H3*    C  18           H3*        C  18  41.105  54.697  26.713
  189    H2*    C  18           H2*        C  18  42.672  53.055  26.497
  190   2HO*    C  18          2HO*        C  18  44.760  53.379  25.960
  191    H1*    C  18           H1*        C  18  43.987  53.439  28.766
  192   1H4     C  18          1H4         C  18  39.407  49.314  30.158
  193   2H4     C  18          2H4         C  18  38.277  50.593  30.284
  194    H5     C  18           H5         C  18  38.765  52.778  29.838
  195    H6     C  18           H6         C  18  40.538  54.431  29.120
  196    H3T    C  18           H3T        C  18  43.382  55.174  25.184
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  43.346  38.103  27.603
    2   2H5*    G   1          2H5*        G   1  43.935  38.422  29.292
    3    H4*    G   1           H4*        G   1  44.641  39.733  27.166
    4    H3*    G   1           H3*        G   1  44.046  41.111  29.873
    5    H2*    G   1           H2*        G   1  44.914  43.107  28.722
    6   2HO*    G   1          2HO*        G   1  46.459  42.041  27.435
    7    H1*    G   1           H1*        G   1  43.480  42.619  26.438
    8    H8     G   1           H8         G   1  40.983  41.483  28.942
    9    H1     G   1           H1         G   1  41.350  47.912  28.679
   10   1H2     G   1          1H2         G   1  43.359  48.423  28.211
   11   2H2     G   1          2H2         G   1  44.569  47.248  27.618
   12    H5T    G   1           H5T        G   1  41.765  39.273  29.715
   13   1H5*    A   2          1H5*        A   2  47.786  42.401  29.040
   14   2H5*    A   2          2H5*        A   2  48.849  42.359  30.401
   15    H4*    A   2           H4*        A   2  48.821  44.547  29.792
   16    H3*    A   2           H3*        A   2  47.030  44.091  32.304
   17    H2*    A   2           H2*        A   2  47.173  46.470  32.519
   18   2HO*    A   2          2HO*        A   2  48.406  47.640  31.278
   19    H1*    A   2           H1*        A   2  46.769  46.973  29.848
   20    H8     A   2           H8         A   2  44.335  44.138  30.437
   21   1H6     A   2          1H6         A   2  40.544  48.499  32.627
   22   2H6     A   2          2H6         A   2  40.786  46.789  32.634
   23    H2     A   2           H2         A   2  44.448  50.337  31.936
   24   1H5*    G   3          1H5*        G   3  49.977  46.908  33.798
   25   2H5*    G   3          2H5*        G   3  50.344  46.429  35.470
   26    H4*    G   3           H4*        G   3  49.909  48.818  35.321
   27    H3*    G   3           H3*        G   3  48.055  47.148  36.934
   28    H2*    G   3           H2*        G   3  46.973  49.270  37.721
   29   2HO*    G   3          2HO*        G   3  49.301  50.316  37.336
   30    H1*    G   3           H1*        G   3  46.704  50.137  35.146
   31    H8     G   3           H8         G   3  46.247  46.470  34.814
   32    H1     G   3           H1         G   3  41.168  49.739  36.999
   33   1H2     G   3          1H2         G   3  41.838  51.989  37.448
   34   2H2     G   3          2H2         G   3  43.440  52.460  37.044
   35   1H5*    G   4          1H5*        G   4  48.710  50.405  39.425
   36   2H5*    G   4          2H5*        G   4  49.162  49.776  41.110
   37    H4*    G   4           H4*        G   4  47.087  51.072  41.219
   38    H3*    G   4           H3*        G   4  47.220  48.246  42.128
   39    H2*    G   4           H2*        G   4  45.134  48.101  42.429
   40   2HO*    G   4          2HO*        G   4  45.182  49.849  44.060
   41    H1*    G   4           H1*        G   4  44.332  50.613  41.051
   42    H8     G   4           H8         G   4  45.003  47.498  39.238
   43    H1     G   4           H1         G   4  38.868  49.256  39.924
   44   1H2     G   4          1H2         G   4  38.876  51.021  40.821
   45   2H2     G   4          2H2         G   4  40.359  51.864  41.521
   46   1H5*    U   5          1H5*        U   5  45.854  48.222  47.160
   47   2H5*    U   5          2H5*        U   5  45.391  47.146  45.784
   48    H4*    U   5           H4*        U   5  43.687  49.501  46.791
   49    H3*    U   5           H3*        U   5  43.913  47.088  48.057
   50    H2*    U   5           H2*        U   5  43.552  45.824  45.983
   51   2HO*    U   5          2HO*        U   5  41.602  45.627  47.738
   52    H1*    U   5           H1*        U   5  41.245  47.763  45.720
   53    H3     U   5           H3         U   5  39.264  46.162  41.921
   54    H5     U   5           H5         U   5  43.392  45.260  41.325
   55    H6     U   5           H6         U   5  43.801  46.199  43.658
   56   1H5*    C   6          1H5*        C   6  39.995  50.061  48.026
   57   2H5*    C   6          2H5*        C   6  39.622  50.745  49.600
   58    H4*    C   6           H4*        C   6  37.592  50.239  48.774
   59    H3*    C   6           H3*        C   6  38.474  47.719  50.203
   60    H2*    C   6           H2*        C   6  36.562  46.498  49.353
   61   2HO*    C   6          2HO*        C   6  34.906  47.496  49.780
   62    H1*    C   6           H1*        C   6  36.235  48.013  47.000
   63   1H4     C   6          1H4         C   6  38.253  42.633  44.537
   64   2H4     C   6          2H4         C   6  39.408  42.451  45.806
   65    H5     C   6           H5         C   6  39.526  43.740  47.697
   66    H6     C   6           H6         C   6  39.069  46.004  48.615
   67   1H5*    G   7          1H5*        G   7  34.424  48.895  51.248
   68   2H5*    G   7          2H5*        G   7  33.905  48.757  53.012
   69    H4*    G   7           H4*        G   7  32.262  47.483  51.770
   70    H3*    G   7           H3*        G   7  34.175  45.921  53.437
   71    H2*    G   7           H2*        G   7  33.234  43.972  52.757
   72   2HO*    G   7          2HO*        G   7  31.045  44.590  52.771
   73    H1*    G   7           H1*        G   7  32.847  44.585  50.154
   74    H8     G   7           H8         G   7  36.015  45.128  52.614
   75    H1     G   7           H1         G   7  37.184  41.406  47.648
   76   1H2     G   7          1H2         G   7  35.363  41.213  46.396
   77   2H2     G   7          2H2         G   7  33.991  42.333  46.811
   78   1H5*    G   8          1H5*        G   8  29.652  45.455  53.987
   79   2H5*    G   8          2H5*        G   8  29.433  45.304  55.832
   80    H4*    G   8           H4*        G   8  27.962  44.103  54.273
   81    H3*    G   8           H3*        G   8  28.313  43.204  56.828
   82    H2*    G   8           H2*        G   8  30.677  42.036  56.239
   83   2HO*    G   8          2HO*        G   8  28.780  40.276  56.810
   84    H1*    G   8           H1*        G   8  29.364  40.800  53.971
   85    H8     G   8           H8         G   8  32.576  41.763  55.692
   86    H1     G   8           H1         G   8  33.212  40.443  49.425
   87   1H2     G   8          1H2         G   8  31.467  40.555  48.502
   88   2H2     G   8          2H2         G   8  29.937  40.828  49.402
   89   1H5*    G   9          1H5*        G   9  26.492  40.254  53.828
   90   2H5*    G   9          2H5*        G   9  25.143  39.399  54.496
   91    H4*    G   9           H4*        G   9  26.344  37.834  53.224
   92    H3*    G   9           H3*        G   9  26.079  37.257  55.962
   93    H2*    G   9           H2*        G   9  28.390  37.734  56.471
   94   2HO*    G   9          2HO*        G   9  27.913  35.070  55.835
   95    H1*    G   9           H1*        G   9  28.836  36.193  53.799
   96    H8     G   9           H8         G   9  30.671  37.363  56.503
   97    H1     G   9           H1         G   9  34.240  37.752  51.197
   98   1H2     G   9          1H2         G   9  33.053  37.343  49.640
   99   2H2     G   9          2H2         G   9  31.270  37.214  49.687
  100   1H5*    A  10          1H5*        A  10  25.343  35.763  52.055
  101   2H5*    A  10          2H5*        A  10  23.619  35.429  51.860
  102    H4*    A  10           H4*        A  10  24.910  34.527  50.037
  103    H3*    A  10           H3*        A  10  23.441  32.470  51.392
  104    H2*    A  10           H2*        A  10  25.068  32.113  53.165
  105   2HO*    A  10          2HO*        A  10  24.987  30.349  51.085
  106    H1*    A  10           H1*        A  10  27.200  31.932  51.196
  107    H8     A  10           H8         A  10  26.382  32.157  54.746
  108   1H6     A  10          1H6         A  10  32.353  33.939  55.438
  109   2H6     A  10          2H6         A  10  31.017  33.447  56.409
  110    H2     A  10           H2         A  10  31.245  34.559  51.273
  111   1H5*    U  11          1H5*        U  11  25.687  33.293  47.014
  112   2H5*    U  11          2H5*        U  11  24.348  33.042  45.757
  113    H4*    U  11           H4*        U  11  26.454  32.607  44.909
  114    H3*    U  11           H3*        U  11  24.168  30.968  44.810
  115    H2*    U  11           H2*        U  11  24.933  29.448  46.451
  116   2HO*    U  11          2HO*        U  11  25.999  28.260  44.025
  117    H1*    U  11           H1*        U  11  27.707  29.470  45.186
  118    H3     U  11           H3         U  11  28.349  25.914  48.018
  119    H5     U  11           H5         U  11  26.744  28.888  50.485
  120    H6     U  11           H6         U  11  26.295  30.293  48.526
  121   1H5*    G  12          1H5*        G  12  27.575  32.309  40.961
  122   2H5*    G  12          2H5*        G  12  27.997  31.652  42.543
  123    H4*    G  12           H4*        G  12  28.164  34.661  41.942
  124    H3*    G  12           H3*        G  12  29.959  32.923  40.740
  125    H2*    G  12           H2*        G  12  30.113  31.494  42.611
  126   2HO*    G  12          2HO*        G  12  32.366  31.781  42.370
  127    H1*    G  12           H1*        G  12  30.727  33.972  44.239
  128    H8     G  12           H8         G  12  30.427  30.245  44.511
  129    H1     G  12           H1         G  12  28.913  32.985  50.046
  130   1H2     G  12          1H2         G  12  27.626  34.673  49.624
  131   2H2     G  12          2H2         G  12  27.550  35.330  47.993
  132   1H5*    G  13          1H5*        G  13  29.488  36.876  42.916
  133   2H5*    G  13          2H5*        G  13  28.705  37.410  41.456
  134    H4*    G  13           H4*        G  13  29.260  39.274  43.112
  135    H3*    G  13           H3*        G  13  30.828  39.506  40.650
  136    H2*    G  13           H2*        G  13  31.542  41.607  41.330
  137   2HO*    G  13          2HO*        G  13  29.556  42.212  41.908
  138    H1*    G  13           H1*        G  13  31.510  40.715  43.987
  139    H8     G  13           H8         G  13  33.666  38.424  41.879
  140    H1     G  13           H1         G  13  36.334  43.916  44.006
  141   1H2     G  13          1H2         G  13  34.915  45.218  44.642
  142   2H2     G  13          2H2         G  13  33.202  44.630  44.773
  143   1H5*    A  14          1H5*        A  14  28.953  44.329  39.128
  144   2H5*    A  14          2H5*        A  14  30.483  43.521  38.936
  145    H4*    A  14           H4*        A  14  29.470  45.023  41.421
  146    H3*    A  14           H3*        A  14  30.974  45.942  38.975
  147    H2*    A  14           H2*        A  14  32.579  47.215  40.335
  148   2HO*    A  14          2HO*        A  14  30.424  47.746  41.683
  149    H1*    A  14           H1*        A  14  32.569  45.506  42.593
  150    H8     A  14           H8         A  14  32.870  43.435  39.352
  151   1H6     A  14          1H6         A  14  39.013  44.857  40.113
  152   2H6     A  14          2H6         A  14  37.910  43.936  39.102
  153    H2     A  14           H2         A  14  36.664  47.153  42.973
  154   1H5*    U  15          1H5*        U  15  30.615  49.717  40.903
  155   2H5*    U  15          2H5*        U  15  30.097  50.990  39.698
  156    H4*    U  15           H4*        U  15  32.101  51.705  40.458
  157    H3*    U  15           H3*        U  15  32.499  50.466  37.791
  158    H2*    U  15           H2*        U  15  34.791  50.926  37.964
  159   2HO*    U  15          2HO*        U  15  34.872  53.066  38.791
  160    H1*    U  15           H1*        U  15  35.015  50.394  40.748
  161    H3     U  15           H3         U  15  37.881  47.311  38.821
  162    H5     U  15           H5         U  15  34.009  46.465  37.137
  163    H6     U  15           H6         U  15  33.060  48.345  38.411
  164   1H5*    C  16          1H5*        C  16  33.952  55.342  38.315
  165   2H5*    C  16          2H5*        C  16  34.210  55.871  36.705
  166    H4*    C  16           H4*        C  16  36.186  56.043  38.299
  167    H3*    C  16           H3*        C  16  36.504  54.670  35.610
  168    H2*    C  16           H2*        C  16  38.901  54.685  36.008
  169   2HO*    C  16          2HO*        C  16  39.872  55.859  37.291
  170    H1*    C  16           H1*        C  16  38.511  53.892  38.667
  171   1H4     C  16          1H4         C  16  39.564  48.385  35.956
  172   2H4     C  16          2H4         C  16  37.903  48.204  35.432
  173    H5     C  16           H5         C  16  36.248  49.942  35.912
  174    H6     C  16           H6         C  16  36.038  52.320  36.300
  175   1H5*    U  17          1H5*        U  17  39.702  57.803  35.481
  176   2H5*    U  17          2H5*        U  17  39.620  58.552  33.963
  177    H4*    U  17           H4*        U  17  41.878  57.744  34.446
  178    H3*    U  17           H3*        U  17  40.316  56.087  32.372
  179    H2*    U  17           H2*        U  17  42.437  55.110  31.766
  180   2HO*    U  17          2HO*        U  17  43.614  57.185  32.210
  181    H1*    U  17           H1*        U  17  43.311  54.727  34.422
  182    H3     U  17           H3         U  17  42.130  50.340  33.564
  183    H5     U  17           H5         U  17  38.474  52.301  33.854
  184    H6     U  17           H6         U  17  39.711  54.507  34.097
  185   1H5*    C  18          1H5*        C  18  43.388  56.912  29.974
  186   2H5*    C  18          2H5*        C  18  42.788  57.200  28.274
  187    H4*    C  18           H4*        C  18  44.430  55.352  28.489
  188    H3*    C  18           H3*        C  18  41.780  54.726  27.434
  189    H2*    C  18           H2*        C  18  42.767  52.645  26.844
  190   2HO*    C  18          2HO*        C  18  44.889  53.344  26.247
  191    H1*    C  18           H1*        C  18  44.254  52.457  29.240
  192   1H4     C  18          1H4         C  18  39.639  48.402  30.116
  193   2H4     C  18          2H4         C  18  38.484  49.577  30.597
  194    H5     C  18           H5         C  18  39.153  52.093  30.493
  195    H6     C  18           H6         C  18  40.945  53.618  29.976
  196    H3T    C  18           H3T        C  18  43.240  54.891  25.512
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  43.441  37.977  27.962
    2   2H5*    G   1          2H5*        G   1  44.439  38.178  29.386
    3    H4*    G   1           H4*        G   1  45.051  39.750  27.774
    4    H3*    G   1           H3*        G   1  43.660  40.991  30.203
    5    H2*    G   1           H2*        G   1  44.878  43.143  29.098
    6   2HO*    G   1          2HO*        G   1  46.568  41.403  28.318
    7    H1*    G   1           H1*        G   1  43.920  42.413  26.637
    8    H8     G   1           H8         G   1  40.924  41.476  28.369
    9    H1     G   1           H1         G   1  41.737  47.670  29.034
   10   1H2     G   1          1H2         G   1  43.826  48.270  28.559
   11   2H2     G   1          2H2         G   1  44.913  47.103  27.964
   12    H5T    G   1           H5T        G   1  42.546  38.503  30.413
   13   1H5*    A   2          1H5*        A   2  47.780  42.620  29.567
   14   2H5*    A   2          2H5*        A   2  48.558  42.371  31.228
   15    H4*    A   2           H4*        A   2  48.887  44.748  30.256
   16    H3*    A   2           H3*        A   2  47.252  44.525  32.766
   17    H2*    A   2           H2*        A   2  47.311  46.866  32.771
   18   2HO*    A   2          2HO*        A   2  48.504  48.111  31.080
   19    H1*    A   2           H1*        A   2  46.726  47.075  30.091
   20    H8     A   2           H8         A   2  44.812  44.068  31.279
   21   1H6     A   2          1H6         A   2  40.623  48.601  32.911
   22   2H6     A   2          2H6         A   2  40.810  46.829  33.188
   23    H2     A   2           H2         A   2  44.291  50.430  32.449
   24   1H5*    G   3          1H5*        G   3  50.270  47.100  33.673
   25   2H5*    G   3          2H5*        G   3  50.896  46.813  35.279
   26    H4*    G   3           H4*        G   3  49.880  49.128  34.833
   27    H3*    G   3           H3*        G   3  48.372  47.325  36.794
   28    H2*    G   3           H2*        G   3  47.249  49.261  37.579
   29   2HO*    G   3          2HO*        G   3  49.574  50.473  36.657
   30    H1*    G   3           H1*        G   3  47.034  50.367  35.033
   31    H8     G   3           H8         G   3  46.398  46.508  35.028
   32    H1     G   3           H1         G   3  41.315  50.157  36.339
   33   1H2     G   3          1H2         G   3  41.904  52.153  36.809
   34   2H2     G   3          2H2         G   3  43.462  52.778  36.652
   35   1H5*    G   4          1H5*        G   4  48.842  50.310  39.543
   36   2H5*    G   4          2H5*        G   4  49.326  49.660  41.116
   37    H4*    G   4           H4*        G   4  47.185  50.930  41.200
   38    H3*    G   4           H3*        G   4  46.940  47.869  41.580
   39    H2*    G   4           H2*        G   4  44.809  47.964  41.857
   40   2HO*    G   4          2HO*        G   4  44.877  49.422  43.682
   41    H1*    G   4           H1*        G   4  44.489  50.613  40.602
   42    H8     G   4           H8         G   4  45.056  47.299  38.489
   43    H1     G   4           H1         G   4  39.012  49.023  39.809
   44   1H2     G   4          1H2         G   4  39.165  51.098  41.197
   45   2H2     G   4          2H2         G   4  40.621  52.077  40.957
   46   1H5*    U   5          1H5*        U   5  45.675  47.310  46.676
   47   2H5*    U   5          2H5*        U   5  44.932  46.507  45.360
   48    H4*    U   5           H4*        U   5  43.726  49.080  46.622
   49    H3*    U   5           H3*        U   5  43.327  46.481  47.606
   50    H2*    U   5           H2*        U   5  42.819  45.700  45.366
   51   2HO*    U   5          2HO*        U   5  40.582  46.526  46.857
   52    H1*    U   5           H1*        U   5  41.000  48.145  45.212
   53    H3     U   5           H3         U   5  39.090  46.087  41.709
   54    H5     U   5           H5         U   5  43.133  45.047  41.241
   55    H6     U   5           H6         U   5  43.653  46.355  43.193
   56   1H5*    C   6          1H5*        C   6  40.044  49.937  48.203
   57   2H5*    C   6          2H5*        C   6  39.773  50.557  49.816
   58    H4*    C   6           H4*        C   6  37.631  49.904  49.190
   59    H3*    C   6           H3*        C   6  38.772  47.466  50.566
   60    H2*    C   6           H2*        C   6  37.073  45.998  49.814
   61   2HO*    C   6          2HO*        C   6  35.176  46.896  50.364
   62    H1*    C   6           H1*        C   6  36.243  47.509  47.622
   63   1H4     C   6          1H4         C   6  37.811  42.782  44.329
   64   2H4     C   6          2H4         C   6  38.899  41.951  45.540
   65    H5     C   6           H5         C   6  39.690  43.382  47.577
   66    H6     C   6           H6         C   6  39.159  45.514  48.683
   67   1H5*    G   7          1H5*        G   7  34.817  48.451  52.437
   68   2H5*    G   7          2H5*        G   7  34.931  47.756  54.079
   69    H4*    G   7           H4*        G   7  32.931  46.996  52.627
   70    H3*    G   7           H3*        G   7  35.068  45.098  53.731
   71    H2*    G   7           H2*        G   7  34.135  43.269  52.982
   72   2HO*    G   7          2HO*        G   7  31.945  43.079  53.038
   73    H1*    G   7           H1*        G   7  33.205  44.362  50.552
   74    H8     G   7           H8         G   7  36.657  44.575  52.629
   75    H1     G   7           H1         G   7  36.355  41.238  47.085
   76   1H2     G   7          1H2         G   7  34.555  41.741  46.117
   77   2H2     G   7          2H2         G   7  33.240  42.577  46.994
   78   1H5*    G   8          1H5*        G   8  30.489  44.479  54.518
   79   2H5*    G   8          2H5*        G   8  30.442  44.167  56.259
   80    H4*    G   8           H4*        G   8  28.581  43.149  54.925
   81    H3*    G   8           H3*        G   8  29.639  41.915  57.242
   82    H2*    G   8           H2*        G   8  31.439  40.993  55.969
   83   2HO*    G   8          2HO*        G   8  29.542  38.918  55.936
   84    H1*    G   8           H1*        G   8  29.613  39.874  53.758
   85    H8     G   8           H8         G   8  33.228  40.152  54.736
   86    H1     G   8           H1         G   8  32.294  40.130  48.394
   87   1H2     G   8          1H2         G   8  30.325  40.213  47.935
   88   2H2     G   8          2H2         G   8  29.034  40.818  49.056
   89   1H5*    G   9          1H5*        G   9  27.350  39.445  54.407
   90   2H5*    G   9          2H5*        G   9  26.037  38.545  55.089
   91    H4*    G   9           H4*        G   9  27.063  36.910  53.551
   92    H3*    G   9           H3*        G   9  26.982  36.350  56.278
   93    H2*    G   9           H2*        G   9  29.411  36.653  56.557
   94   2HO*    G   9          2HO*        G   9  28.896  33.933  55.634
   95    H1*    G   9           H1*        G   9  29.416  35.612  53.643
   96    H8     G   9           H8         G   9  31.736  36.294  56.349
   97    H1     G   9           H1         G   9  34.303  36.858  50.409
   98   1H2     G   9          1H2         G   9  32.750  36.170  49.111
   99   2H2     G   9          2H2         G   9  31.029  36.310  49.451
  100   1H5*    A  10          1H5*        A  10  26.551  35.219  52.021
  101   2H5*    A  10          2H5*        A  10  24.939  34.840  51.485
  102    H4*    A  10           H4*        A  10  26.421  33.675  49.955
  103    H3*    A  10           H3*        A  10  24.788  32.087  51.266
  104    H2*    A  10           H2*        A  10  26.363  31.577  53.213
  105   2HO*    A  10          2HO*        A  10  26.018  29.600  51.395
  106    H1*    A  10           H1*        A  10  28.470  31.194  51.090
  107    H8     A  10           H8         A  10  27.786  30.680  54.492
  108   1H6     A  10          1H6         A  10  33.533  33.046  55.527
  109   2H6     A  10          2H6         A  10  32.285  32.219  56.391
  110    H2     A  10           H2         A  10  32.460  33.817  51.556
  111   1H5*    U  11          1H5*        U  11  27.108  32.177  47.518
  112   2H5*    U  11          2H5*        U  11  25.884  32.187  46.262
  113    H4*    U  11           H4*        U  11  27.822  31.515  45.057
  114    H3*    U  11           H3*        U  11  25.635  29.758  45.023
  115    H2*    U  11           H2*        U  11  26.519  28.318  46.886
  116   2HO*    U  11          2HO*        U  11  26.088  27.159  44.891
  117    H1*    U  11           H1*        U  11  29.115  28.598  45.385
  118    H3     U  11           H3         U  11  31.667  26.463  48.498
  119    H5     U  11           H5         U  11  28.733  28.702  50.734
  120    H6     U  11           H6         U  11  27.847  29.444  48.694
  121   1H5*    G  12          1H5*        G  12  29.544  31.156  41.595
  122   2H5*    G  12          2H5*        G  12  29.640  31.039  43.391
  123    H4*    G  12           H4*        G  12  28.997  33.683  42.399
  124    H3*    G  12           H3*        G  12  31.222  32.940  41.002
  125    H2*    G  12           H2*        G  12  32.239  31.803  42.709
  126   2HO*    G  12          2HO*        G  12  33.754  33.585  41.939
  127    H1*    G  12           H1*        G  12  31.809  34.083  44.707
  128    H8     G  12           H8         G  12  33.393  31.069  44.732
  129    H1     G  12           H1         G  12  30.197  32.177  50.140
  130   1H2     G  12          1H2         G  12  28.783  33.918  49.708
  131   2H2     G  12          2H2         G  12  28.893  34.697  48.104
  132   1H5*    G  13          1H5*        G  13  29.976  36.810  42.854
  133   2H5*    G  13          2H5*        G  13  28.850  37.379  41.640
  134    H4*    G  13           H4*        G  13  29.219  39.096  43.279
  135    H3*    G  13           H3*        G  13  30.545  39.715  40.707
  136    H2*    G  13           H2*        G  13  31.083  41.936  41.607
  137   2HO*    G  13          2HO*        G  13  29.007  41.954  42.506
  138    H1*    G  13           H1*        G  13  31.515  40.912  44.169
  139    H8     G  13           H8         G  13  33.574  38.773  41.628
  140    H1     G  13           H1         G  13  36.296  44.270  43.711
  141   1H2     G  13          1H2         G  13  34.952  45.468  44.657
  142   2H2     G  13          2H2         G  13  33.348  44.806  45.057
  143   1H5*    A  14          1H5*        A  14  28.380  44.453  39.510
  144   2H5*    A  14          2H5*        A  14  29.921  43.813  39.025
  145    H4*    A  14           H4*        A  14  29.332  45.361  41.601
  146    H3*    A  14           H3*        A  14  31.114  45.785  39.200
  147    H2*    A  14           H2*        A  14  32.394  47.271  40.399
  148   2HO*    A  14          2HO*        A  14  30.438  47.993  41.536
  149    H1*    A  14           H1*        A  14  32.602  45.492  42.612
  150    H8     A  14           H8         A  14  32.713  43.114  39.887
  151   1H6     A  14          1H6         A  14  38.798  44.338  39.994
  152   2H6     A  14          2H6         A  14  37.533  43.513  39.133
  153    H2     A  14           H2         A  14  36.710  47.446  42.455
  154   1H5*    U  15          1H5*        U  15  30.587  49.573  40.671
  155   2H5*    U  15          2H5*        U  15  30.347  50.777  39.394
  156    H4*    U  15           H4*        U  15  32.200  51.210  40.761
  157    H3*    U  15           H3*        U  15  32.515  50.902  37.785
  158    H2*    U  15           H2*        U  15  34.740  51.202  37.876
  159   2HO*    U  15          2HO*        U  15  35.104  53.154  39.185
  160    H1*    U  15           H1*        U  15  35.277  50.073  40.523
  161    H3     U  15           H3         U  15  38.068  47.678  38.077
  162    H5     U  15           H5         U  15  34.174  46.276  36.926
  163    H6     U  15           H6         U  15  33.297  48.193  38.178
  164   1H5*    C  16          1H5*        C  16  34.372  54.907  39.358
  165   2H5*    C  16          2H5*        C  16  34.071  56.015  38.104
  166    H4*    C  16           H4*        C  16  36.446  55.996  38.870
  167    H3*    C  16           H3*        C  16  36.062  54.728  36.119
  168    H2*    C  16           H2*        C  16  38.551  54.634  36.023
  169   2HO*    C  16          2HO*        C  16  39.745  55.756  37.469
  170    H1*    C  16           H1*        C  16  38.749  53.890  38.681
  171   1H4     C  16          1H4         C  16  39.641  48.493  36.072
  172   2H4     C  16          2H4         C  16  37.970  48.183  35.547
  173    H5     C  16           H5         C  16  36.297  50.118  35.671
  174    H6     C  16           H6         C  16  36.064  52.355  36.892
  175   1H5*    U  17          1H5*        U  17  39.467  57.964  35.316
  176   2H5*    U  17          2H5*        U  17  39.017  58.382  33.679
  177    H4*    U  17           H4*        U  17  41.353  57.627  33.920
  178    H3*    U  17           H3*        U  17  39.838  55.923  32.044
  179    H2*    U  17           H2*        U  17  41.815  54.834  31.639
  180   2HO*    U  17          2HO*        U  17  42.892  57.033  32.021
  181    H1*    U  17           H1*        U  17  42.575  54.639  34.261
  182    H3     U  17           H3         U  17  41.627  50.554  33.063
  183    H5     U  17           H5         U  17  37.770  52.293  33.311
  184    H6     U  17           H6         U  17  38.802  54.305  33.896
  185   1H5*    C  18          1H5*        C  18  43.472  56.777  30.197
  186   2H5*    C  18          2H5*        C  18  43.122  57.175  28.452
  187    H4*    C  18           H4*        C  18  44.662  55.337  28.746
  188    H3*    C  18           H3*        C  18  42.094  54.435  27.458
  189    H2*    C  18           H2*        C  18  42.883  52.392  27.066
  190   2HO*    C  18          2HO*        C  18  45.094  53.716  26.814
  191    H1*    C  18           H1*        C  18  44.369  52.250  29.378
  192   1H4     C  18          1H4         C  18  39.483  48.250  29.437
  193   2H4     C  18          2H4         C  18  38.368  49.579  29.598
  194    H5     C  18           H5         C  18  39.072  51.778  30.140
  195    H6     C  18           H6         C  18  40.943  53.361  29.962
  196    H3T    C  18           H3T        C  18  43.651  56.007  26.337
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  42.841  39.226  25.561
    2   2H5*    G   1          2H5*        G   1  43.366  38.763  27.181
    3    H4*    G   1           H4*        G   1  44.774  40.459  25.962
    4    H3*    G   1           H3*        G   1  43.594  41.084  28.744
    5    H2*    G   1           H2*        G   1  44.715  43.117  28.636
    6   2HO*    G   1          2HO*        G   1  46.621  41.930  27.776
    7    H1*    G   1           H1*        G   1  44.547  43.668  26.156
    8    H8     G   1           H8         G   1  40.943  42.442  27.375
    9    H1     G   1           H1         G   1  42.381  48.562  28.761
   10   1H2     G   1          1H2         G   1  44.579  48.831  28.614
   11   2H2     G   1          2H2         G   1  45.472  47.784  27.598
   12    H5T    G   1           H5T        G   1  40.993  39.323  26.867
   13   1H5*    A   2          1H5*        A   2  47.773  41.653  29.385
   14   2H5*    A   2          2H5*        A   2  48.120  41.072  31.071
   15    H4*    A   2           H4*        A   2  48.904  43.348  30.307
   16    H3*    A   2           H3*        A   2  46.838  43.518  32.461
   17    H2*    A   2           H2*        A   2  47.175  45.842  32.569
   18   2HO*    A   2          2HO*        A   2  49.549  45.554  32.094
   19    H1*    A   2           H1*        A   2  47.050  46.165  29.817
   20    H8     A   2           H8         A   2  44.760  43.529  30.640
   21   1H6     A   2          1H6         A   2  41.104  48.318  32.610
   22   2H6     A   2          2H6         A   2  41.006  46.579  32.330
   23    H2     A   2           H2         A   2  45.085  49.708  31.924
   24   1H5*    G   3          1H5*        G   3  50.086  46.358  33.794
   25   2H5*    G   3          2H5*        G   3  50.421  46.107  35.445
   26    H4*    G   3           H4*        G   3  49.693  48.595  34.770
   27    H3*    G   3           H3*        G   3  47.855  47.215  36.823
   28    H2*    G   3           H2*        G   3  46.739  49.188  37.029
   29   2HO*    G   3          2HO*        G   3  48.891  50.399  36.693
   30    H1*    G   3           H1*        G   3  46.537  49.661  34.547
   31    H8     G   3           H8         G   3  46.117  45.864  34.553
   32    H1     G   3           H1         G   3  41.002  49.136  36.489
   33   1H2     G   3          1H2         G   3  41.626  51.207  37.139
   34   2H2     G   3          2H2         G   3  43.350  51.670  36.884
   35   1H5*    G   4          1H5*        G   4  48.194  50.632  38.532
   36   2H5*    G   4          2H5*        G   4  48.950  50.478  40.194
   37    H4*    G   4           H4*        G   4  46.716  51.563  40.239
   38    H3*    G   4           H3*        G   4  46.982  48.799  41.721
   39    H2*    G   4           H2*        G   4  44.806  48.895  42.160
   40   2HO*    G   4          2HO*        G   4  44.882  50.917  43.304
   41    H1*    G   4           H1*        G   4  44.095  50.772  40.181
   42    H8     G   4           H8         G   4  44.925  47.533  38.641
   43    H1     G   4           H1         G   4  38.851  48.635  40.279
   44   1H2     G   4          1H2         G   4  38.745  50.333  41.469
   45   2H2     G   4          2H2         G   4  40.199  50.884  42.306
   46   1H5*    U   5          1H5*        U   5  45.814  49.495  46.394
   47   2H5*    U   5          2H5*        U   5  45.382  48.261  45.055
   48    H4*    U   5           H4*        U   5  43.731  50.655  45.942
   49    H3*    U   5           H3*        U   5  43.924  48.300  47.451
   50    H2*    U   5           H2*        U   5  43.455  46.967  45.630
   51   2HO*    U   5          2HO*        U   5  41.457  47.209  47.307
   52    H1*    U   5           H1*        U   5  41.127  48.955  45.270
   53    H3     U   5           H3         U   5  39.168  45.829  42.437
   54    H5     U   5           H5         U   5  43.110  45.714  41.342
   55    H6     U   5           H6         U   5  43.654  47.362  42.857
   56   1H5*    C   6          1H5*        C   6  39.738  51.146  47.292
   57   2H5*    C   6          2H5*        C   6  39.231  51.760  48.992
   58    H4*    C   6           H4*        C   6  37.388  51.034  48.176
   59    H3*    C   6           H3*        C   6  38.506  48.698  49.775
   60    H2*    C   6           H2*        C   6  36.559  47.346  49.217
   61   2HO*    C   6          2HO*        C   6  34.956  48.708  49.914
   62    H1*    C   6           H1*        C   6  35.954  48.741  46.792
   63   1H4     C   6          1H4         C   6  37.800  43.470  44.142
   64   2H4     C   6          2H4         C   6  39.250  43.373  45.141
   65    H5     C   6           H5         C   6  39.639  44.939  46.830
   66    H6     C   6           H6         C   6  39.106  47.122  47.799
   67   1H5*    G   7          1H5*        G   7  34.649  50.532  51.090
   68   2H5*    G   7          2H5*        G   7  34.668  50.611  52.759
   69    H4*    G   7           H4*        G   7  32.410  50.008  51.902
   70    H3*    G   7           H3*        G   7  33.689  47.964  53.658
   71    H2*    G   7           H2*        G   7  32.517  46.189  52.872
   72   2HO*    G   7          2HO*        G   7  30.449  46.887  53.466
   73    H1*    G   7           H1*        G   7  31.572  46.939  50.412
   74    H8     G   7           H8         G   7  35.062  46.728  52.119
   75    H1     G   7           H1         G   7  34.047  42.781  47.168
   76   1H2     G   7          1H2         G   7  32.107  42.963  46.620
   77   2H2     G   7          2H2         G   7  31.030  44.292  47.229
   78   1H5*    G   8          1H5*        G   8  29.093  48.404  54.586
   79   2H5*    G   8          2H5*        G   8  28.950  48.164  56.358
   80    H4*    G   8           H4*        G   8  27.411  46.720  54.945
   81    H3*    G   8           H3*        G   8  28.613  46.375  57.358
   82    H2*    G   8           H2*        G   8  30.540  45.288  56.545
   83   2HO*    G   8          2HO*        G   8  28.812  43.168  57.121
   84    H1*    G   8           H1*        G   8  28.775  43.550  54.772
   85    H8     G   8           H8         G   8  32.297  43.988  55.720
   86    H1     G   8           H1         G   8  31.521  41.994  49.803
   87   1H2     G   8          1H2         G   8  29.621  41.907  49.130
   88   2H2     G   8          2H2         G   8  28.328  42.193  50.266
   89   1H5*    G   9          1H5*        G   9  26.166  42.360  55.112
   90   2H5*    G   9          2H5*        G   9  25.418  41.474  56.450
   91    H4*    G   9           H4*        G   9  26.793  40.193  54.863
   92    H3*    G   9           H3*        G   9  26.507  39.601  57.687
   93    H2*    G   9           H2*        G   9  28.592  40.655  58.044
   94   2HO*    G   9          2HO*        G   9  29.001  37.987  57.611
   95    H1*    G   9           H1*        G   9  29.348  39.151  55.404
   96    H8     G   9           H8         G   9  31.014  41.006  58.144
   97    H1     G   9           H1         G   9  34.221  40.250  52.714
   98   1H2     G   9          1H2         G   9  32.927  39.331  51.087
   99   2H2     G   9          2H2         G   9  31.195  39.421  51.239
  100   1H5*    A  10          1H5*        A  10  27.085  37.791  53.218
  101   2H5*    A  10          2H5*        A  10  25.466  37.401  52.769
  102    H4*    A  10           H4*        A  10  26.707  36.107  51.423
  103    H3*    A  10           H3*        A  10  25.339  34.429  53.195
  104    H2*    A  10           H2*        A  10  26.838  34.575  54.925
  105   2HO*    A  10          2HO*        A  10  26.658  32.345  53.836
  106    H1*    A  10           H1*        A  10  29.342  34.137  53.333
  107    H8     A  10           H8         A  10  27.873  35.312  56.509
  108   1H6     A  10          1H6         A  10  33.610  37.688  57.250
  109   2H6     A  10          2H6         A  10  32.233  37.194  58.109
  110    H2     A  10           H2         A  10  33.309  36.551  53.124
  111   1H5*    U  11          1H5*        U  11  27.157  33.623  49.370
  112   2H5*    U  11          2H5*        U  11  25.762  33.101  48.472
  113    H4*    U  11           H4*        U  11  27.586  32.673  47.168
  114    H3*    U  11           H3*        U  11  26.282  30.303  48.105
  115    H2*    U  11           H2*        U  11  27.787  29.900  49.680
  116   2HO*    U  11          2HO*        U  11  28.451  28.400  47.389
  117    H1*    U  11           H1*        U  11  30.123  30.525  47.936
  118    H3     U  11           H3         U  11  33.063  29.821  51.075
  119    H5     U  11           H5         U  11  30.193  32.201  53.110
  120    H6     U  11           H6         U  11  28.796  31.914  50.972
  121   1H5*    G  12          1H5*        G  12  28.740  31.824  43.202
  122   2H5*    G  12          2H5*        G  12  29.789  31.520  44.536
  123    H4*    G  12           H4*        G  12  28.999  34.282  43.529
  124    H3*    G  12           H3*        G  12  31.100  32.862  42.686
  125    H2*    G  12           H2*        G  12  31.883  32.259  44.899
  126   2HO*    G  12          2HO*        G  12  33.382  34.490  43.848
  127    H1*    G  12           H1*        G  12  31.605  35.081  45.450
  128    H8     G  12           H8         G  12  33.245  32.300  46.748
  129    H1     G  12           H1         G  12  30.685  35.509  51.681
  130   1H2     G  12          1H2         G  12  29.161  36.883  50.989
  131   2H2     G  12          2H2         G  12  28.937  37.225  49.256
  132   1H5*    G  13          1H5*        G  13  29.592  36.654  43.611
  133   2H5*    G  13          2H5*        G  13  28.550  36.995  42.199
  134    H4*    G  13           H4*        G  13  28.678  39.035  43.597
  135    H3*    G  13           H3*        G  13  30.352  39.316  41.170
  136    H2*    G  13           H2*        G  13  30.864  41.526  41.881
  137   2HO*    G  13          2HO*        G  13  28.894  42.360  42.472
  138    H1*    G  13           H1*        G  13  30.704  40.798  44.778
  139    H8     G  13           H8         G  13  33.125  38.360  43.413
  140    H1     G  13           H1         G  13  35.666  44.217  44.090
  141   1H2     G  13          1H2         G  13  34.174  45.606  44.704
  142   2H2     G  13          2H2         G  13  32.596  44.992  45.152
  143   1H5*    A  14          1H5*        A  14  28.889  43.557  38.746
  144   2H5*    A  14          2H5*        A  14  30.458  42.759  38.785
  145    H4*    A  14           H4*        A  14  29.491  44.690  40.920
  146    H3*    A  14           H3*        A  14  31.234  45.181  38.533
  147    H2*    A  14           H2*        A  14  32.508  46.741  39.814
  148   2HO*    A  14          2HO*        A  14  31.632  47.874  41.280
  149    H1*    A  14           H1*        A  14  32.370  45.385  42.163
  150    H8     A  14           H8         A  14  33.108  42.700  39.724
  151   1H6     A  14          1H6         A  14  39.024  44.325  40.511
  152   2H6     A  14          2H6         A  14  37.833  43.380  39.531
  153    H2     A  14           H2         A  14  36.539  47.260  42.611
  154   1H5*    U  15          1H5*        U  15  30.128  49.312  40.230
  155   2H5*    U  15          2H5*        U  15  30.218  50.472  39.046
  156    H4*    U  15           H4*        U  15  31.885  50.572  40.914
  157    H3*    U  15           H3*        U  15  32.899  50.453  38.029
  158    H2*    U  15           H2*        U  15  35.120  50.855  38.755
  159   2HO*    U  15          2HO*        U  15  33.849  52.219  40.806
  160    H1*    U  15           H1*        U  15  34.935  49.326  40.980
  161    H3     U  15           H3         U  15  37.905  46.926  38.513
  162    H5     U  15           H5         U  15  34.158  46.173  36.605
  163    H6     U  15           H6         U  15  33.169  47.736  38.092
  164   1H5*    C  16          1H5*        C  16  34.565  54.157  39.636
  165   2H5*    C  16          2H5*        C  16  34.603  55.427  38.442
  166    H4*    C  16           H4*        C  16  36.818  54.991  39.466
  167    H3*    C  16           H3*        C  16  36.707  54.125  36.558
  168    H2*    C  16           H2*        C  16  38.906  53.778  36.600
  169   2HO*    C  16          2HO*        C  16  39.268  55.881  38.079
  170    H1*    C  16           H1*        C  16  38.998  52.857  39.116
  171   1H4     C  16          1H4         C  16  39.065  47.694  35.584
  172   2H4     C  16          2H4         C  16  37.485  47.959  35.007
  173    H5     C  16           H5         C  16  35.941  49.592  36.114
  174    H6     C  16           H6         C  16  36.065  51.854  37.016
  175   1H5*    U  17          1H5*        U  17  39.982  56.855  36.550
  176   2H5*    U  17          2H5*        U  17  39.779  57.874  35.165
  177    H4*    U  17           H4*        U  17  42.105  57.086  35.202
  178    H3*    U  17           H3*        U  17  40.255  56.189  32.856
  179    H2*    U  17           H2*        U  17  41.819  54.877  32.123
  180   2HO*    U  17          2HO*        U  17  43.779  55.548  31.949
  181    H1*    U  17           H1*        U  17  43.134  54.270  34.696
  182    H3     U  17           H3         U  17  42.222  50.195  32.686
  183    H5     U  17           H5         U  17  38.560  51.570  34.188
  184    H6     U  17           H6         U  17  39.545  53.687  34.623
  185   1H5*    C  18          1H5*        C  18  44.092  57.442  30.968
  186   2H5*    C  18          2H5*        C  18  43.647  58.108  29.489
  187    H4*    C  18           H4*        C  18  45.064  56.137  29.412
  188    H3*    C  18           H3*        C  18  42.333  55.424  28.240
  189    H2*    C  18           H2*        C  18  43.379  53.440  27.432
  190   2HO*    C  18          2HO*        C  18  45.301  54.078  26.615
  191    H1*    C  18           H1*        C  18  45.070  53.192  29.639
  192   1H4     C  18          1H4         C  18  40.293  48.992  29.843
  193   2H4     C  18          2H4         C  18  39.094  50.144  30.267
  194    H5     C  18           H5         C  18  39.782  52.665  30.382
  195    H6     C  18           H6         C  18  41.681  54.149  30.212
  196    H3T    C  18           H3T        C  18  44.778  56.290  27.140
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1  43.119  39.561  25.357
    2   2H5*    G   1          2H5*        G   1  44.020  39.250  26.909
    3    H4*    G   1           H4*        G   1  45.257  40.812  25.483
    4    H3*    G   1           H3*        G   1  44.185  41.701  28.137
    5    H2*    G   1           H2*        G   1  45.315  43.814  27.810
    6   2HO*    G   1          2HO*        G   1  47.219  43.761  26.674
    7    H1*    G   1           H1*        G   1  44.525  44.109  25.188
    8    H8     G   1           H8         G   1  41.487  42.543  26.473
    9    H1     G   1           H1         G   1  42.422  48.363  28.981
   10   1H2     G   1          1H2         G   1  44.303  49.128  28.538
   11   2H2     G   1          2H2         G   1  45.548  48.170  27.748
   12    H5T    G   1           H5T        G   1  42.276  39.640  27.886
   13   1H5*    A   2          1H5*        A   2  48.239  41.965  29.198
   14   2H5*    A   2          2H5*        A   2  48.341  41.651  30.903
   15    H4*    A   2           H4*        A   2  48.905  43.962  30.409
   16    H3*    A   2           H3*        A   2  46.681  43.641  32.348
   17    H2*    A   2           H2*        A   2  47.096  45.899  32.897
   18   2HO*    A   2          2HO*        A   2  48.774  46.898  32.293
   19    H1*    A   2           H1*        A   2  46.752  46.482  30.130
   20    H8     A   2           H8         A   2  44.752  43.376  30.861
   21   1H6     A   2          1H6         A   2  40.555  47.696  32.807
   22   2H6     A   2          2H6         A   2  40.544  46.053  32.264
   23    H2     A   2           H2         A   2  44.260  49.753  32.166
   24   1H5*    G   3          1H5*        G   3  50.207  45.329  34.281
   25   2H5*    G   3          2H5*        G   3  50.161  45.017  36.033
   26    H4*    G   3           H4*        G   3  50.103  47.515  35.466
   27    H3*    G   3           H3*        G   3  47.924  46.377  37.147
   28    H2*    G   3           H2*        G   3  46.938  48.668  37.207
   29   2HO*    G   3          2HO*        G   3  48.491  50.399  35.930
   30    H1*    G   3           H1*        G   3  47.234  49.235  34.615
   31    H8     G   3           H8         G   3  46.236  45.679  34.821
   32    H1     G   3           H1         G   3  41.552  49.832  36.283
   33   1H2     G   3          1H2         G   3  42.272  51.739  36.552
   34   2H2     G   3          2H2         G   3  43.989  52.125  36.558
   35   1H5*    G   4          1H5*        G   4  48.585  49.968  39.027
   36   2H5*    G   4          2H5*        G   4  48.976  49.503  40.698
   37    H4*    G   4           H4*        G   4  47.311  51.423  40.802
   38    H3*    G   4           H3*        G   4  46.590  48.652  41.578
   39    H2*    G   4           H2*        G   4  44.481  49.418  42.179
   40   2HO*    G   4          2HO*        G   4  45.358  51.277  43.294
   41    H1*    G   4           H1*        G   4  44.226  51.305  39.901
   42    H8     G   4           H8         G   4  45.071  47.831  38.695
   43    H1     G   4           H1         G   4  39.003  49.041  40.081
   44   1H2     G   4          1H2         G   4  38.872  50.920  41.497
   45   2H2     G   4          2H2         G   4  40.396  51.697  41.749
   46   1H5*    U   5          1H5*        U   5  45.509  49.261  46.600
   47   2H5*    U   5          2H5*        U   5  45.022  47.952  45.576
   48    H4*    U   5           H4*        U   5  43.521  50.543  46.138
   49    H3*    U   5           H3*        U   5  43.529  48.295  47.857
   50    H2*    U   5           H2*        U   5  43.130  46.797  45.829
   51   2HO*    U   5          2HO*        U   5  40.997  47.435  47.495
   52    H1*    U   5           H1*        U   5  40.854  48.698  45.271
   53    H3     U   5           H3         U   5  39.100  46.100  42.233
   54    H5     U   5           H5         U   5  43.197  46.163  41.214
   55    H6     U   5           H6         U   5  43.577  47.520  43.158
   56   1H5*    C   6          1H5*        C   6  39.361  51.267  48.068
   57   2H5*    C   6          2H5*        C   6  39.035  51.427  49.797
   58    H4*    C   6           H4*        C   6  37.030  50.784  48.667
   59    H3*    C   6           H3*        C   6  38.272  48.584  50.282
   60    H2*    C   6           H2*        C   6  36.425  47.199  49.594
   61   2HO*    C   6          2HO*        C   6  35.079  49.179  50.316
   62    H1*    C   6           H1*        C   6  35.848  48.645  47.196
   63   1H4     C   6          1H4         C   6  37.721  43.574  44.066
   64   2H4     C   6          2H4         C   6  39.202  43.487  44.964
   65    H5     C   6           H5         C   6  39.393  44.440  47.295
   66    H6     C   6           H6         C   6  38.631  46.514  48.461
   67   1H5*    G   7          1H5*        G   7  34.502  48.786  52.019
   68   2H5*    G   7          2H5*        G   7  34.561  48.749  53.765
   69    H4*    G   7           H4*        G   7  33.202  46.859  52.722
   70    H3*    G   7           H3*        G   7  35.809  45.959  54.092
   71    H2*    G   7           H2*        G   7  35.246  43.631  53.361
   72   2HO*    G   7          2HO*        G   7  32.996  43.804  53.663
   73    H1*    G   7           H1*        G   7  34.364  44.353  50.838
   74    H8     G   7           H8         G   7  37.671  45.610  52.439
   75    H1     G   7           H1         G   7  37.862  41.011  47.951
   76   1H2     G   7          1H2         G   7  36.100  41.046  46.779
   77   2H2     G   7          2H2         G   7  34.686  41.929  47.207
   78   1H5*    G   8          1H5*        G   8  31.433  44.444  55.307
   79   2H5*    G   8          2H5*        G   8  31.611  44.476  57.085
   80    H4*    G   8           H4*        G   8  29.959  42.823  56.022
   81    H3*    G   8           H3*        G   8  31.371  42.612  58.281
   82    H2*    G   8           H2*        G   8  33.206  41.682  57.534
   83   2HO*    G   8          2HO*        G   8  31.889  39.841  58.762
   84    H1*    G   8           H1*        G   8  31.855  39.746  55.655
   85    H8     G   8           H8         G   8  34.994  40.892  56.687
   86    H1     G   8           H1         G   8  35.179  40.067  50.290
   87   1H2     G   8          1H2         G   8  33.249  39.495  49.810
   88   2H2     G   8          2H2         G   8  31.957  39.579  50.867
   89   1H5*    G   9          1H5*        G   9  29.476  39.845  55.919
   90   2H5*    G   9          2H5*        G   9  28.088  39.012  56.624
   91    H4*    G   9           H4*        G   9  28.713  37.577  54.924
   92    H3*    G   9           H3*        G   9  28.658  36.415  57.332
   93    H2*    G   9           H2*        G   9  31.054  37.037  57.624
   94   2HO*    G   9          2HO*        G   9  30.467  34.365  57.158
   95    H1*    G   9           H1*        G   9  31.385  35.825  54.917
   96    H8     G   9           H8         G   9  33.429  37.003  57.870
   97    H1     G   9           H1         G   9  36.584  37.413  52.314
   98   1H2     G   9          1H2         G   9  35.152  36.883  50.596
   99   2H2     G   9          2H2         G   9  33.437  36.592  50.964
  100   1H5*    A  10          1H5*        A  10  29.125  34.180  52.824
  101   2H5*    A  10          2H5*        A  10  28.187  32.698  53.064
  102    H4*    A  10           H4*        A  10  29.937  32.163  51.480
  103    H3*    A  10           H3*        A  10  29.876  30.442  53.791
  104    H2*    A  10           H2*        A  10  31.515  31.897  54.994
  105   2HO*    A  10          2HO*        A  10  32.679  29.677  53.533
  106    H1*    A  10           H1*        A  10  32.977  31.905  52.270
  107    H8     A  10           H8         A  10  32.680  33.377  55.800
  108   1H6     A  10          1H6         A  10  38.648  34.881  54.674
  109   2H6     A  10          2H6         A  10  37.488  34.707  55.992
  110    H2     A  10           H2         A  10  36.916  33.684  51.044
  111   1H5*    U  11          1H5*        U  11  31.378  31.028  49.059
  112   2H5*    U  11          2H5*        U  11  29.648  30.565  48.751
  113    H4*    U  11           H4*        U  11  30.752  30.528  46.561
  114    H3*    U  11           H3*        U  11  29.623  28.309  47.591
  115    H2*    U  11           H2*        U  11  31.550  27.307  48.512
  116   2HO*    U  11          2HO*        U  11  30.901  25.866  46.924
  117    H1*    U  11           H1*        U  11  33.373  28.249  46.270
  118    H3     U  11           H3         U  11  36.020  25.680  48.836
  119    H5     U  11           H5         U  11  34.573  28.520  51.605
  120    H6     U  11           H6         U  11  33.062  29.316  49.712
  121   1H5*    G  12          1H5*        G  12  29.857  30.716  42.846
  122   2H5*    G  12          2H5*        G  12  31.064  30.336  43.981
  123    H4*    G  12           H4*        G  12  29.867  33.169  44.032
  124    H3*    G  12           H3*        G  12  31.179  32.723  41.709
  125    H2*    G  12           H2*        G  12  32.854  31.413  42.923
  126   2HO*    G  12          2HO*        G  12  33.776  33.908  42.217
  127    H1*    G  12           H1*        G  12  33.163  33.923  44.677
  128    H8     G  12           H8         G  12  35.243  31.108  43.907
  129    H1     G  12           H1         G  12  35.094  31.823  50.220
  130   1H2     G  12          1H2         G  12  33.895  33.521  50.532
  131   2H2     G  12          2H2         G  12  32.669  34.141  49.476
  132   1H5*    G  13          1H5*        G  13  29.467  36.538  42.718
  133   2H5*    G  13          2H5*        G  13  29.540  37.145  41.092
  134    H4*    G  13           H4*        G  13  28.684  38.647  42.979
  135    H3*    G  13           H3*        G  13  30.599  39.522  40.982
  136    H2*    G  13           H2*        G  13  30.916  41.699  42.156
  137   2HO*    G  13          2HO*        G  13  28.758  41.938  42.555
  138    H1*    G  13           H1*        G  13  30.916  40.616  44.724
  139    H8     G  13           H8         G  13  32.942  38.501  42.106
  140    H1     G  13           H1         G  13  35.791  44.001  44.012
  141   1H2     G  13          1H2         G  13  34.525  45.110  45.403
  142   2H2     G  13          2H2         G  13  33.019  44.438  45.858
  143   1H5*    A  14          1H5*        A  14  28.507  44.261  39.459
  144   2H5*    A  14          2H5*        A  14  30.016  43.488  38.934
  145    H4*    A  14           H4*        A  14  29.309  45.119  41.549
  146    H3*    A  14           H3*        A  14  31.143  45.521  39.226
  147    H2*    A  14           H2*        A  14  32.272  47.071  40.851
  148   2HO*    A  14          2HO*        A  14  30.223  47.622  41.729
  149    H1*    A  14           H1*        A  14  32.259  45.253  42.879
  150    H8     A  14           H8         A  14  32.808  43.230  39.826
  151   1H6     A  14          1H6         A  14  38.779  44.827  40.145
  152   2H6     A  14          2H6         A  14  37.550  43.841  39.291
  153    H2     A  14           H2         A  14  36.463  47.369  42.894
  154   1H5*    U  15          1H5*        U  15  30.411  49.399  41.011
  155   2H5*    U  15          2H5*        U  15  30.295  50.675  39.825
  156    H4*    U  15           H4*        U  15  32.179  51.059  41.353
  157    H3*    U  15           H3*        U  15  33.140  50.463  38.456
  158    H2*    U  15           H2*        U  15  35.290  50.724  39.020
  159   2HO*    U  15          2HO*        U  15  35.301  52.685  40.353
  160    H1*    U  15           H1*        U  15  35.045  49.621  41.437
  161    H3     U  15           H3         U  15  37.839  47.424  38.569
  162    H5     U  15           H5         U  15  34.076  46.246  37.389
  163    H6     U  15           H6         U  15  33.067  47.758  39.002
  164   1H5*    C  16          1H5*        C  16  35.087  54.509  40.035
  165   2H5*    C  16          2H5*        C  16  34.844  55.429  38.540
  166    H4*    C  16           H4*        C  16  37.238  55.468  39.233
  167    H3*    C  16           H3*        C  16  36.355  54.120  36.716
  168    H2*    C  16           H2*        C  16  38.793  53.743  36.103
  169   2HO*    C  16          2HO*        C  16  39.054  55.933  37.403
  170    H1*    C  16           H1*        C  16  39.404  53.184  38.648
  171   1H4     C  16          1H4         C  16  39.367  47.684  35.876
  172   2H4     C  16          2H4         C  16  37.672  47.630  35.592
  173    H5     C  16           H5         C  16  36.327  49.411  36.392
  174    H6     C  16           H6         C  16  36.304  51.622  37.359
  175   1H5*    U  17          1H5*        U  17  39.260  57.239  35.734
  176   2H5*    U  17          2H5*        U  17  38.985  58.011  34.133
  177    H4*    U  17           H4*        U  17  41.195  56.935  34.374
  178    H3*    U  17           H3*        U  17  39.506  55.719  32.178
  179    H2*    U  17           H2*        U  17  41.371  54.389  31.672
  180   2HO*    U  17          2HO*        U  17  43.303  55.641  31.880
  181    H1*    U  17           H1*        U  17  42.181  53.991  34.185
  182    H3     U  17           H3         U  17  41.542  49.733  33.056
  183    H5     U  17           H5         U  17  37.636  51.272  33.243
  184    H6     U  17           H6         U  17  38.617  53.518  33.618
  185   1H5*    C  18          1H5*        C  18  43.412  57.466  30.849
  186   2H5*    C  18          2H5*        C  18  43.250  57.729  29.073
  187    H4*    C  18           H4*        C  18  45.157  56.263  29.528
  188    H3*    C  18           H3*        C  18  42.994  55.216  27.842
  189    H2*    C  18           H2*        C  18  44.188  53.237  27.475
  190   2HO*    C  18          2HO*        C  18  46.254  54.130  27.054
  191    H1*    C  18           H1*        C  18  45.276  53.008  29.958
  192   1H4     C  18          1H4         C  18  40.451  48.897  29.577
  193   2H4     C  18          2H4         C  18  39.337  50.234  29.660
  194    H5     C  18           H5         C  18  39.942  52.592  29.234
  195    H6     C  18           H6         C  18  41.794  54.146  29.507
  196    H3T    C  18           H3T        C  18  45.696  55.949  27.203