*HEADER    RNA                                     06-JUL-04   1TXS              
*TITLE     STEM-LOOP D OF THE CLOVERLEAF DOMAIN OF ENTEROVIRAL 5'UTR             
*TITLE    2 RNA                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENTEROVIRAL 5'-UTR;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION            
*SOURCE   4 WITH T7 RNA POLYMERASE                                               
*KEYWDS    TETRALOOP UACG, CLOSING WOBBLE UG PAIR, PYRIMIDINE-                   
*KEYWDS   2 PYRIMIDINE MISMATCHES, TWO-NUCLEOTIDE BULGE                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.DU, J.YU, N.B.ULYANOV, R.ANDINO, T.L.JAMES                          
*REVDAT   1   05-OCT-04 1TXS    0                                                
 assign (residue  1 and name H1')   (residue  2 and name H5')  3.5  1.7  2.5
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 assign (residue 17 and name H2)   (residue 18 and name H1')  3.5  1.7  1.5		     
 assign (residue 17 and name H2)   (residue 18 and name H3)  3.5  1.7  2.0   
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 assign (residue 17 and name H2)   (residue 24 and name H3)  2.4  0.6  0.6	   
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 assign (residue 18 and name H2'')   (residue 17 and name H2)  3.5  1.7  2.5   
 assign (residue 18 and name H2'')   (residue 18 and name H3)  3.5  1.7  2.5   
 assign (residue 18 and name H2'')   (residue 18 and name H6)  3.5  1.7  1.5     
 assign (residue 18 and name H2'')   (residue 19 and name H1')  3.5  1.7  2.5     
 assign (residue 18 and name H2'')   (residue 19 and name H5)  3.5  1.7  1.5	     
 assign (residue 18 and name H2'')   (residue 19 and name H6)  2.4  0.6  0.6     
 assign (residue 18 and name H3')   (residue 18 and name H1')  3.5  1.7  2.5     
 assign (residue 18 and name H3')   (residue 18 and name H6)  3.5  1.7  1.5
 assign (residue 18 and name H3')   (residue 19 and name H5)  3.5  1.7  1.5          
 assign (residue 18 and name H3')   (residue 19 and name H6)  3.5  1.7  1.5     
 assign (residue 18 and name H3')   (residue 19 and name H5')  3.5  1.7  1.5
 assign (residue 18 and name H3')   (residue 19 and name H5'')  3.5  1.7  1.5
 assign (residue 18 and name H4')   (residue 18 and name H1')  3.5  1.7  2.5     
 assign (residue 18 and name H4')   (residue 18 and name H6)  3.5  1.7  1.5     
 assign (residue 18 and name H5)   (residue 19 and name H5)  3.5  1.7  1.5    	 
 assign (residue 18 and name H5)   (residue 19 and name H6)  3.5  1.7  2.5   
 assign (residue 18 and name H6)   (residue 17 and name H1')  3.5  1.7  1.5     
 assign (residue 19 and name H1')   (residue 18 and name H3)  3.5  1.7  2.0   
 assign (residue 19 and name H1')   (residue 19 and name H6)  3.5  1.7  1.5
 assign (residue 19 and name H1')   (residue 20 and name H2'')  3.5  1.7  2.5          
 assign (residue 19 and name H1')   (residue 20 and name H8)  3.5  1.7  2.5     
 assign (residue 19 and name H1')   (residue 21 and name H5)  3.5  1.7  1.5     
 assign (residue 19 and name H1')   (residue 21 and name H6)  3.5  1.7  1.5
 assign (residue 19 and name H1')   (residue 22 and name H1)  3.5  1.7  0.5   
 assign (residue 19 and name H1')   (residue 23 and name H1)  3.5  1.7  0.5	   
 assign (residue 19 and name H2'')   (residue 18 and name H2'')  3.5  1.7  2.5     
 assign (residue 19 and name H2'')   (residue 19 and name H2')  2.4  0.6  0.6   
 assign (residue 19 and name H2'')   (residue 19 and name H3')  3.5  1.7  0.5     
 assign (residue 19 and name H2'')   (residue 19 and name H4')  3.5  1.7  1.5     
 assign (residue 19 and name H2'')   (residue 19 and name H5)  3.5  1.7  2.5     
 assign (residue 19 and name H2'')   (residue 19 and name H6)  3.5  1.7  1.5     
 assign (residue 19 and name H2'')   (residue 20 and name H2'')  3.5  1.7  1.5     
 assign (residue 19 and name H2'')   (residue 20 and name H3')  3.5  1.7  2.5     
 assign (residue 19 and name H2'')   (residue 20 and name H8)  3.5  1.7  1.5
 assign (residue 19 and name H2'')   (residue 21 and name H1')  3.5  1.7  1.5       
 assign (residue 19 and name H2'')   (residue 21 and name H41)  3.5  1.7  2.0   
 assign (residue 19 and name H2'')   (residue 21 and name H5)  3.5  1.7  1.5     
 assign (residue 19 and name H2'')   (residue 21 and name H6)  3.5  1.7  2.5     
 assign (residue 19 and name H2'')   (residue 22 and name H1)  3.5  1.7  1.5
 assign (residue 19 and name H2')   (residue 19 and name H6)  3.5  1.7  1.5   
 assign (residue 19 and name H2')   (residue 20 and name H8)  3.5  1.7  0.5   
 assign (residue 19 and name H2')   (residue 21 and name H6)  3.5  1.7  1.5   
 assign (residue 19 and name H2')   (residue 22 and name H1)  3.5  1.7  0.5   
 assign (residue 19 and name H3')   (residue 19 and name H1')  3.5  1.7  1.5     
 assign (residue 19 and name H3')   (residue 19 and name H6)  3.5  1.7  1.5     
 assign (residue 19 and name H3')   (residue 21 and name H5)  3.5  1.7  1.5	  
 assign (residue 19 and name H3')   (residue 22 and name H1)  3.5  1.7  2.5
 assign (residue 19 and name H4')   (residue 19 and name H1')  3.5  1.7  2.5     
 assign (residue 19 and name H4')   (residue 20 and name H2'')  3.5  1.7  2.5     
 assign (residue 19 and name H4')   (residue 20 and name H8)  3.5  1.7  2.5     
 assign (residue 19 and name H5)   (residue 18 and name H1')  3.5  1.7  2.5     
 assign (residue 19 and name H5)   (residue 18 and name H6)  3.5  1.7  2.5   	  
 assign (residue 19 and name H5)   (residue 21 and name H41)  3.5  1.7  1.5
 assign (residue 19 and name H5)   (residue 21 and name H42)  3.5  1.7  1.5	   
 assign (residue 19 and name H6)   (residue 18 and name H6)  3.5  1.7  1.5     
 assign (residue 19 and name H6)   (residue 19 and name H2')  3.5  1.7  2.5   
 assign (residue 19 and name H6)   (residue 21 and name H41)  3.5  1.7  2.5	   
 assign (residue 19 and name H6)   (residue 21 and name H42)  3.5  1.7  2.5	   
 assign (residue 19 and name H6)   (residue 22 and name H1)  3.5  1.7  2.5   
 assign (residue 20 and name H5')   (residue 19 and name H2'')  3.5  1.7  2.5 
 assign (residue 20 and name H5'')   (residue 19 and name H2'')  3.5  1.7  2.5 
 assign (residue 20 and name H5')   (residue 20 and name H2'')  3.5  1.7  1.5      
 assign (residue 20 and name H5'')   (residue 20 and name H2'')  3.5  1.7  1.5      
 assign (residue 20 and name H1')   (residue 20 and name H4')  3.5  1.7  1.5     
 assign (residue 20 and name H1')   (residue 20 and name H5')  3.5  1.7  2.5     
 assign (residue 20 and name H1')   (residue 20 and name H5'')  3.5  1.7  2.5     
 assign (residue 20 and name H1')   (residue 20 and name H8)  3.5  1.7  1.5     
 assign (residue 20 and name H2'')   (residue 19 and name H1')  3.5  1.7  2.5     
 assign (residue 20 and name H2'')   (residue 19 and name H2')  3.5  1.7  1.5   
 assign (residue 20 and name H2'')   (residue 20 and name H3')  2.4  0.6  0.6     
 assign (residue 20 and name H2'')   (residue 20 and name H8)  2.4  0.6  0.6     
 assign (residue 20 and name H2'')   (residue 21 and name H5)  3.5  1.7  1.5	     
 assign (residue 20 and name H2'')   (residue 21 and name H6)  3.5  1.7  0.5	     
 assign (residue 20 and name H2'')   (residue 22 and name H1)  3.5  1.7  2.5   
 assign (residue 20 and name H3')   (residue 20 and name H1')  3.5  1.7  1.5     
 assign (residue 20 and name H3')   (residue 20 and name H8)  3.5  1.7  1.5     
 assign (residue 20 and name H3')   (residue 21 and name H5)  3.5  1.7  0.5     
 assign (residue 20 and name H3')   (residue 21 and name H1')  3.5  1.7  1.5
 assign (residue 20 and name H3')   (residue 21 and name H4')  3.5  1.7  1.5
 assign (residue 20 and name H3')   (residue 21 and name H6)  3.5  1.7  0.5
 assign (residue 20 and name H3')   (residue 21 and name H5)  3.5  1.7  1.5
 assign (residue 20 and name H4')   (residue 19 and name H2')  3.5  1.7  2.5 
 assign (residue 20 and name H4')   (residue 20 and name H1')  3.5  1.7  1.5     
 assign (residue 20 and name H4')   (residue 20 and name H2'')  3.5  1.7  0.5     
 assign (residue 20 and name H4')   (residue 20 and name H8)  3.5  1.7  1.5     
 assign (residue 20 and name H4')   (residue 21 and name H5)  3.5  1.7  1.5     
 assign (residue 20 and name H4')   (residue 21 and name H6)  3.5  1.7  1.5
 assign (residue 20 and name H5'')   (residue 20 and name H1')  3.5  1.7  2.5
 assign (residue 20 and name H5'')   (residue 20 and name H8)  3.5  1.7  2.5        
 assign (residue 20 and name H5'')   (residue 21 and name H5)  3.5  1.7  1.5      
 assign (residue 20 and name H5')   (residue 20 and name H1')  3.5  1.7  2.5      
 assign (residue 20 and name H5')   (residue 20 and name H8)  3.5  1.7  2.5       
 assign (residue 20 and name H5')   (residue 21 and name H5)  3.5  1.7  1.5
 assign (residue 20 and name H8)   (residue 19 and name H3')  3.5  1.7  2.5     
 assign (residue 20 and name H8)   (residue 21 and name H5)  3.5  1.7  1.5 	   
 assign (residue 20 and name H8)   (residue 21 and name H6)  3.5  1.7  1.5     
 assign (residue 20 and name H8)   (residue 22 and name H1)  3.5  1.7  2.0   
 assign (residue 21 and name H1')   (residue 21 and name H5'')  3.5  1.7  2.5     
 assign (residue 21 and name H1')   (residue 21 and name H5')  3.5  1.7  2.5    
 assign (residue 21 and name H1')   (residue 21 and name H6)  3.5  1.7  1.5	     
 assign (residue 21 and name H1')   (residue 22 and name H1)  3.5  1.7  2.5   
 assign (residue 21 and name H4')   (residue 21 and name H6)  3.5  1.7  2.5
 assign (residue 21 and name H4')   (residue 22 and name H5')  3.5  1.7  1.5    
 assign (residue 21 and name H4')   (residue 22 and name H5'')  3.5  1.7  1.5    
 assign (residue 21 and name H4')   (residue 22 and name H1')  3.5  1.7  1.5 	   
 assign (residue 21 and name H4')   (residue 22 and name H1)  3.5  1.7  2.5	   
 assign (residue 21 and name H4')   (residue 22 and name H3')  3.5  1.7  1.5  	  
 assign (residue 21 and name H4')   (residue 22 and name H4')  3.5  1.7  1.5	    
 assign (residue 21 and name H4')   (residue 22 and name H8)  3.5  1.7  1.5 	   
 assign (residue 21 and name H41)   (residue 19 and name H3')  3.5  1.7  2.0  	    
 assign (residue 21 and name H42)   (residue 19 and name H3')  3.5  1.7  2.0  	    
 assign (residue 21 and name H5')   (residue 21 and name H2'')  3.5  1.7  1.5    
 assign (residue 21 and name H5'')   (residue 21 and name H2'')  3.5  1.7  1.5    
 assign (residue 21 and (name H5' or name H5''))   (residue 22 and name H1')  3.5  1.7  2.5         
 assign (residue 21 and (name H5' or name H5''))   (residue 22 and (name H5' or name H5''))  3.5  1.7  2.5   
 assign (residue 21 and name H5)   (residue 19 and name H2')  3.5  1.7  0.5	   
 assign (residue 21 and name H5)   (residue 19 and name H6)  3.5  1.7  1.5   	 
 assign (residue 21 and name H5)   (residue 22 and name H1)  3.5  1.7  2.0 	  
 assign (residue 21 and name H6)   (residue 22 and name H1)  3.5  1.7  0.5  	    
 assign (residue 22 and name H1')   (residue 22 and name H8)   2.4  0.6  0.6     
 assign (residue 22 and name H2'')   (residue 22 and name H3')  3.5  1.7  1.5    
 assign (residue 22 and name H2'')   (residue 23 and name H8)  3.5  1.7  1.5	   
 assign (residue 22 and name H3')   (residue 22 and name H1')  3.5  1.7  1.5    
 assign (residue 22 and name H3')   (residue 22 and name H8)  3.5  1.7  2.5    
 assign (residue 22 and name H3')   (residue 23 and name H8)  3.5  1.7  1.5    
 assign (residue 22 and name H4')   (residue 22 and name H1')  3.5  1.7  1.5    
 assign (residue 22 and name H4')   (residue 22 and name H3')  3.5  1.7  0.5    
 assign (residue 22 and name H5')   (residue 21 and name H4')  3.5  1.7  1.5
 assign (residue 22 and name H5'')   (residue 21 and name H4')  3.5  1.7  1.5
 assign (residue 22 and name H8)   (residue 22 and name H2'')  3.5  1.7  1.5
 assign (residue 22 and name H8)   (residue 23 and name H1')  3.5  1.7  2.5    
 assign (residue 23 and name H1')   (residue 23 and name H8)  3.5  1.7  1.5    
 assign (residue 23 and name H1')   (residue 24 and name H6)  3.5  1.7  1.5    
 assign (residue 23 and name H1)   (residue 18 and name H3)  3.5  1.7  0.5	   
 assign (residue 23 and name H1)   (residue 19 and name H2')  3.5  1.7  3.5
 assign (residue 23 and name H2'')   (residue 24 and name H5)  3.5  1.7  1.5     	   
 assign (residue 23 and name H2'')   (residue 24 and name H6)  2.6  0.8  0.4    
 assign (residue 23 and name H2'')   (residue 24 and name H5')  3.5  1.7  1.5
 assign (residue 23 and name H2'')   (residue 24 and name H5'')  3.5  1.7  1.5
 assign (residue 23 and name H3')   (residue 23 and name H8)  3.5  1.7  1.5    
 assign (residue 23 and name H3')   (residue 24 and name H6)  3.5  1.7  1.5    
 assign (residue 23 and name H3')   (residue 24 and name H5')  3.5  1.7  1.5
 assign (residue 23 and name H3')   (residue 24 and name H5'')  3.5  1.7  1.5
 assign (residue 23 and name H3')   (residue 24 and name H5)  3.5  1.7  1.5
 assign (residue 23 and name H3')   (residue 24 and name H6)  3.5  1.7  0.5
 assign (residue 23 and name H4')   (residue 23 and name H8)  3.5  1.7  1.5    
 assign (residue 23 and name H4')   (residue 24 and name H6)  3.5  1.7  2.5    
 assign (residue 23 and name H8)   (residue 22 and name H1)  3.5  1.7  2.0   
 assign (residue 23 and name H8)   (residue 23 and name H5'')  3.5  1.7  1.5     
 assign (residue 23 and name H8)   (residue 23 and name H5')  3.5  1.7  1.5     
 assign (residue 23 and name H8)   (residue 24 and name H6)  3.5  1.7  2.5  	  
 assign (residue 24 and name H1')   (residue 24 and name H6)  3.5  1.7  2.5    
 assign (residue 24 and name H1')   (residue 25 and name H1')  3.5  1.7  2.5    
 assign (residue 24 and name H1')   (residue 25 and name H8)  3.5  1.7  1.5    
 assign (residue 24 and name H2'')   (residue 24 and name H6)  3.5  1.7  1.5 
 assign (residue 24 and name H2'')   (residue 25 and name H1')  3.5  1.7  1.5   
 assign (residue 24 and name H2'')   (residue 25 and name H8)  2.4  0.6  0.6    
 assign (residue 24 and name H2'')   (residue 25 and name H5')  3.5  1.7  2.5
 assign (residue 24 and name H2'')   (residue 25 and name H5'')  3.5  1.7  2.5
 assign (residue 24 and name H3')   (residue 25 and name H5')  3.5  1.7  1.5
 assign (residue 24 and name H3')   (residue 25 and name H5'')  3.5  1.7  1.5
 assign (residue 24 and name H3')   (residue 24 and name H1')  3.5  1.7  2.5    
 assign (residue 24 and name H3')   (residue 25 and name H8)  3.5  1.7  1.5    
 assign (residue 24 and name H3)   (residue 18 and name H3)  3.5  1.7  2.0  	 
 assign (residue 24 and name H3)   (residue 23 and name H1)  3.5  1.7  2.0
 assign (residue 24 and name H3)   (residue 25 and name H61)  3.5  1.7  2.0
 assign (residue 24 and name H3)   (residue 25 and name H62)  3.5  1.7  2.0    
 assign (residue 24 and name H4')   (residue 24 and name H6)  3.5  1.7  1.5    
 assign (residue 24 and name H5)   (residue 23 and name H8)  3.5  1.7  1.5	   
 assign (residue 24 and name H6)   (residue 25 and name H8)  3.5  1.7  1.5    
 assign (residue 25 and name H1')   (residue 17 and name H2)  3.5  1.7  1.5    
 assign (residue 25 and name H1')   (residue 24 and name H3)  3.5  1.7  2.5   
 assign (residue 25 and name H1')   (residue 25 and name H8)  3.5  1.7  1.5    
 assign (residue 25 and name H1')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 25 and name H2'')   (residue 26 and name H1')  3.5  1.7  2.5    
 assign (residue 25 and name H2'')   (residue 26 and name H5')  3.5  1.7  2.5
 assign (residue 25 and name H2'')   (residue 26 and name H5'')  3.5  1.7  2.5
 assign (residue 25 and name H2'')   (residue 26 and name H5)  3.5  1.7  1.5
 assign (residue 25 and name H2'')   (residue 26 and name H6)  2.4  0.6  0.6    
 assign (residue 25 and name H2)   (residue 15 and name H1)  3.5  1.7  2.0   
 assign (residue 25 and name H2)   (residue 16 and name H3)  3.5  1.7  2.0   
 assign (residue 25 and name H3')   (residue 26 and name H5)  3.5  1.7  1.5
 assign (residue 25 and name H3')   (residue 26 and name H5')  3.5  1.7  1.5
 assign (residue 25 and name H3')   (residue 26 and name H5'')  3.5  1.7  1.5
 assign (residue 25 and name H3')   (residue 26 and name H6)  3.5  1.7  2.5   
 assign (residue 25 and name H4')   (residue 25 and name H1')  3.5  1.7  2.5  
 assign (residue 25 and name H5'')   (residue 25 and name H8)  3.5  1.7  2.5     
 assign (residue 25 and name H5')   (residue 25 and name H8)  3.5  1.7  2.5       
 assign (residue 25 and name H61)   (residue 16 and name H3)  3.5  1.7  2.0   
 assign (residue 25 and name H62)   (residue 16 and name H3)  3.5  1.7  2.0         
 assign (residue 26 and name H1')   (residue 25 and name H1')  3.5  1.7  2.5    
 assign (residue 26 and name H1')   (residue 25 and name H2)  3.5  1.7  1.5    
 assign (residue 26 and name H1')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H1')   (residue 27 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H2'')   (residue 27 and name H5')  3.5  1.7  2.5
 assign (residue 26 and name H2'')   (residue 27 and name H5'')  3.5  1.7  2.5
 assign (residue 26 and name H2'')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H2'')   (residue 27 and name H5)  3.5  1.7  1.5    
 assign (residue 26 and name H2'')   (residue 27 and name H6)  2.4  0.6  0.6    
 assign (residue 26 and name H3')   (residue 27 and name H5')  3.5  1.7  1.5
 assign (residue 26 and name H3')   (residue 27 and name H5'')  3.5  1.7  1.5
 assign (residue 26 and name H3')   (residue 27 and name H5)  3.5  1.7  1.5
 assign (residue 26 and name H3')   (residue 26 and name H1')  3.5  1.7  1.5    
 assign (residue 26 and name H3')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H3')   (residue 27 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H4')   (residue 26 and name H1')  3.5  1.7  0.5    
 assign (residue 26 and name H4')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H4')   (residue 27 and name H5')  3.5  1.7  1.5
 assign (residue 26 and name H41)   (residue 14 and name H1)  3.5  1.7  2.5   
 assign (residue 26 and name H42)   (residue 14 and name H1)  3.5  1.7  2.5   
 assign (residue 26 and name H41)   (residue 16 and name H3)  3.5  1.7  2.5   
 assign (residue 26 and name H42)   (residue 16 and name H3)  3.5  1.7  2.5   
 assign (residue 26 and name H5'')   (residue 26 and name H6)  3.5  1.7  1.5    
 assign (residue 26 and name H5')   (residue 26 and name H6)  3.5  1.7  1.5   	 
 assign (residue 26 and name H5)   (residue 25 and name H1')  3.5  1.7  2.5    
 assign (residue 26 and name H5)   (residue 25 and name H8)  3.5  1.7  2.5    
 assign (residue 26 and name H5)   (residue 27 and name H5)  3.5  1.7  2.5    
 assign (residue 26 and name H5)   (residue 27 and name H6)  3.5  1.7  2.5   
 assign (residue 27 and name H2'')   (residue 27 and name H6)  3.5  1.7  1.5
 assign (residue 27 and name H2'')   (residue 28 and name H1')  3.5  1.7  1.5    
 assign (residue 27 and name H2'')   (residue 28 and name H5)  3.5  1.7  2.5
 assign (residue 27 and name H2'')   (residue 28 and name H6)  3.5  1.7  0.5
 assign (residue 27 and name H3')   (residue 27 and name H1')  3.5  1.7  1.5
 assign (residue 27 and name H3')   (residue 27 and name H6)  3.5  1.7  1.5        
 assign (residue 27 and name H3')   (residue 28 and name H5)  3.5  1.7  2.5
 assign (residue 27 and name H3')   (residue 28 and name H6)  3.5  1.7  0.5
 assign (residue 27 and name H4')   (residue 27 and name H6)  3.5  1.7  1.5
 assign (residue 27 and name H41)   (residue 28 and name H3)  3.5  1.7  2.0
 assign (residue 27 and name H42)   (residue 28 and name H3)  3.5  1.7  2.0    
 assign (residue 27 and name H5)   (residue 28 and name H5)  3.5  1.7  1.5
 assign (residue 27 and name H6)   (residue 27 and name H1')  3.5  1.7  1.5    
 assign (residue 27 and name H6)   (residue 28 and name H5)  3.5  1.7  2.5  
 assign (residue 27 and name H6)   (residue 28 and name H6)  3.5  1.7  2.5
 assign (residue 28 and name H1')   (residue 29 and name H6)  3.5  1.7  1.5
 assign (residue 28 and name H2'')   (residue 29 and name H1')  3.5  1.7  1.5
 assign (residue 28 and name H2'')   (residue 29 and name H5)  3.5  1.7  1.5 
 assign (residue 28 and name H2'')   (residue 29 and name H6)  3.5  1.7  0.5
 assign (residue 28 and name H3')   (residue 29 and name H5)  3.5  1.7  1.5 
 assign (residue 28 and name H3')   (residue 29 and name H6)  3.5  1.7  1.5 
 assign (residue 28 and name H3)   (residue 29 and name H5)  3.5  1.7  2.0 
 assign (residue 29 and name H2'')   (residue 30 and name H5)  3.5  1.7  1.5
 assign (residue 29 and name H2'')   (residue 30 and name H6)  3.5  1.7  0.5
 assign (residue 29 and name H3)    (residue 13 and name H3)  3.5  1.7  2.0
 assign (residue 29 and name H3)    (residue 28 and name H3)  3.5  1.7  2.0
 assign (residue 29 and name H3')   (residue 30 and name H5)  3.5  1.7  1.5
 assign (residue 29 and name H3')   (residue 30 and name H6)  3.5  1.7  1.5
 assign (residue 29 and name H4')   (residue 29 and name H6)  3.5  1.7  1.5
 assign (residue 29 and name H6)   (residue 30 and name H6)  3.5  1.7  2.5
 assign (residue 30 and name H1')   (residue 31 and name H8)  3.5  1.7  1.5 
 assign (residue 30 and name H2'')   (residue 31 and name H8)  3.5  1.7  0.5
 assign (residue 30 and name H3')   (residue 31 and name H8)  3.5  1.7  0.5
 assign (residue 30 and name H3)   (residue 31 and name H1')  3.5  1.7  2.5
 assign (residue 30 and name H3)   (residue 31 and name H1)  3.5  1.7  2.5
 assign (residue 31 and name H1')   (residue 32 and name H6)  3.5  1.7  1.5
 assign (residue 31 and name H2'')   (residue 31 and name H8)  3.5  1.7  1.5
 assign (residue 31 and name H2'')   (residue 32 and name H5)  3.5  1.7  1.5
 assign (residue 31 and name H2'')   (residue 32 and name H6)  3.5  1.7  0.5
 assign (residue 31 and name H2'')   (residue 32 and name H1')  3.5  1.7  1.5 
 assign (residue 31 and name H3')   (residue 31 and name H8)  3.5  1.7  1.5
 assign (residue 31 and name H3')   (residue 32 and name H5)  3.5  1.7  1.5
 assign (residue 31 and name H3')   (residue 32 and name H5')  3.5  1.7  1.5
 assign (residue 31 and name H3')   (residue 32 and name H5'')  3.5  1.7  1.5
 assign (residue 31 and name H3')   (residue 32 and name H6)  3.5  1.7  1.5
 assign (residue 31 and name H1)   (residue 32 and name H3)  3.5  1.7  2.0
 assign (residue 31 and name H1)   (residue 32 and name H5)  3.5  1.7  2.0
 assign (residue 31 and name H8)   (residue 32 and name H5)  3.5  1.7  1.5
 assign (residue 32 and name H1')   (residue 33 and name H8)  3.5  1.7  2.5
 assign (residue 32 and name H3')   (residue 33 and name H8)  3.5  1.7  0.5
 assign (residue 32 and name H3')   (residue 33 and name H5')  3.5  1.7  1.5
 assign (residue 32 and name H3')   (residue 33 and name H5'')  3.5  1.7  1.5
 assign (residue 32 and name H5')   (residue 31 and name H3')  3.5  1.7  1.5
 assign (residue 32 and name H5'')   (residue 31 and name H3')  3.5  1.7  1.5
 assign (residue 32 and name H3)   (residue 33 and name H1')  3.5  1.7  2.5
 assign (residue 32 and name H3)   (residue 33 and name H1)  3.5  1.7  2.0
 assign (residue 33 and name H1')   (residue 34 and name H5)  3.5  1.7  2.5
 assign (residue 33 and name H1')   (residue 34 and name H6)  3.5  1.7  1.5
 assign (residue 33 and name H2'')   (residue 34 and name H1')  3.5  1.7  1.5
 assign (residue 33 and name H2'')   (residue 34 and name H5)  3.5  1.7  1.5
 assign (residue 33 and name H3')   (residue 34 and name H5)  3.5  1.7  1.5
 assign (residue 33 and name H8)   (residue 34 and name H5)  3.5  1.7  1.5
 assign (residue 33 and name H8)   (residue 34 and name H6)  3.5  1.7  1.5
 assign (residue 34 and name H1')   (residue 35 and name H8)  3.5  1.7  2.5
 assign (residue 34 and name H3')   (residue 35 and name H5')  3.5  1.7  1.5
 assign (residue 34 and name H3')   (residue 35 and name H5'')  3.5  1.7  1.5
 assign (residue 34 and name H3')   (residue 35 and name H8)  3.5  1.7  0.5
 assign (residue 35 and name H1)   (residue 36 and name H41)  3.5  1.7  2.0
 assign (residue 35 and name H1)   (residue 36 and name H42)  3.5  1.7  2.0
 assign (residue 35 and name H1')   (residue 36 and name H6)  3.5  1.7  2.5
 assign (residue 35 and name H2'')   (residue 36 and name H5)  3.5  1.7  1.5
 assign (residue 35 and name H2'')   (residue 36 and name H5')  3.5  1.7  2.5
 assign (residue 35 and name H2'')   (residue 36 and name H5'')  3.5  1.7  2.5
 assign (residue 35 and name H2'')   (residue 36 and name H6)  3.5  1.7  1.5
 assign (residue 35 and name H3')   (residue 36 and name H5)  3.5  1.7  1.5
 assign (residue 35 and name H3')   (residue 36 and name H5')  3.5  1.7  1.5
 assign (residue 35 and name H3')   (residue 36 and name H5'')  3.5  1.7  1.5
 assign (residue 35 and name H3')   (residue 36 and name H6)  3.5  1.7  0.5
 assign (residue 35 and name H4')   (residue 35 and name H1')  3.5  1.7  2.5
 assign (residue 36 and name H1')   (residue 37 and name H6)  3.5  1.7  1.5
 assign (residue 36 and name H2'')   (residue 37 and name H5)  3.5  1.7  1.5
 assign (residue 36 and name H2'')   (residue 37 and name H6)  2.4  0.6  0.6
 assign (residue 36 and name H3')   (residue 37 and name H5)  3.5  1.7  1.5
 assign (residue 36 and name H3')   (residue 37 and name H6)  3.5  1.7  0.5
 assign (residue 36 and name H3')   (residue 37 and name H5')  3.5  1.7  1.5
 assign (residue 36 and name H3')   (residue 37 and name H5'')  3.5  1.7  1.5
 assign (residue 36 and name H3')   (residue 37 and name H5)  3.5  1.7  1.5
 assign (residue 36 and name H5)   (residue 37 and name H6)  3.5  1.7  1.5
 assign (residue 36 and name H6)   (residue 37 and name H5)  3.5  1.7  1.5
 assign (residue 37 and name H1')   (residue 38 and name H6)  3.5  1.7  1.5
 assign (residue 37 and name H2'')   (residue 38 and name H1')  3.5  1.7  2.5
 assign (residue 37 and name H2'')   (residue 38 and name H5)  3.5  1.7  1.5
 assign (residue 37 and name H2'')   (residue 38 and name H5')  3.5  1.7  0.5
 assign (residue 37 and name H2'')   (residue 38 and name H5'')  3.5  1.7  0.5
 assign (residue 37 and name H2'')   (residue 38 and name H6)  2.4  0.6  0.6
 assign (residue 37 and name H3')   (residue 38 and name H5)  3.5  1.7  1.5 
 assign (residue 37 and name H3')   (residue 38 and name H5')  3.5  1.7  1.5 
 assign (residue 37 and name H3')   (residue 38 and name H5'')  3.5  1.7  1.5 
 assign (residue 37 and name H3')   (residue 38 and name H6)  3.5  1.7  1.5
 assign (residue 38 and name H3')   (residue 38 and name H6)  3.5  1.7  0.5
 assign (residue 38 and name H4')   (residue 38 and name H6)  3.5  1.7  2.5
 assign (residue 38 and name H5'')   (residue 38 and name H6)  3.5  1.7  2.5
 assign (residue 38 and name H5')   (residue 38 and name H6)  3.5  1.7  2.5


!!!!!!!!!!!!!!!!!!!!!!!   H-bonds   !!!!!!!!!!!!!!!!!!!!!!!!!

!G1-C38
assign (resid 1 and name n1) (resid 38 and name n3) 2.87 0.2 0.2
assign (resid 1 and name h1) (resid 38 and name n3) 1.86 0.2 0.2
assign (resid 1 and name o6) (resid 38 and name n4) 2.81 0.2 0.2
assign (resid 1 and name o6) (resid 38 and name h41) 1.80 0.2 0.2
assign (resid 1 and name n2) (resid 38 and name o2) 2.81 0.2 0.2
assign (resid 1 and name h21) (resid 38 and name o2) 1.79 0.2 0.2
 
!G2-C37
assign (resid 2 and name n1) (resid 37 and name n3) 2.87 0.2 0.2
assign (resid 2 and name h1) (resid 37 and name n3) 1.86 0.2 0.2
assign (resid 2 and name o6) (resid 37 and name n4) 2.81 0.2 0.2
assign (resid 2 and name o6) (resid 37 and name h41) 1.80 0.2 0.2
assign (resid 2 and name n2) (resid 37 and name o2) 2.81 0.2 0.2
assign (resid 2 and name h21) (resid 37 and name o2) 1.79 0.2 0.2

!G3-C36
assign (resid 3 and name n1) (resid 36 and name n3) 2.87 0.2 0.2
assign (resid 3 and name h1) (resid 36 and name n3) 1.86 0.2 0.2
assign (resid 3 and name o6) (resid 36 and name n4) 2.81 0.2 0.2
assign (resid 3 and name o6) (resid 36 and name h41) 1.80 0.2 0.2
assign (resid 3 and name n2) (resid 36 and name o2) 2.81 0.2 0.2
assign (resid 3 and name h21) (resid 36 and name o2) 1.79 0.2 0.2

!C4-G35
assign (resid 35 and name n1) (resid 4 and name n3) 2.87 0.2 0.2
assign (resid 35 and name h1) (resid 4 and name n3) 1.86 0.2 0.2
assign (resid 35 and name o6) (resid 4 and name n4) 2.81 0.2 0.2
assign (resid 35 and name o6) (resid 4 and name h41) 1.80 0.2 0.2
assign (resid 35 and name n2) (resid 4 and name o2) 2.81 0.2 0.2
assign (resid 35 and name h21) (resid 4 and name o2) 1.79 0.2 0.2

!G7-C34
assign (resid 7 and name n1) (resid 34 and name n3) 2.87 0.2 0.2
assign (resid 7 and name h1) (resid 34 and name n3) 1.86 0.2 0.2
assign (resid 7 and name o6) (resid 34 and name n4) 2.81 0.2 0.2
assign (resid 7 and name o6) (resid 34 and name h41) 1.80 0.2 0.2
assign (resid 7 and name n2) (resid 34 and name o2) 2.81 0.2 0.2
assign (resid 7 and name h21) (resid 34 and name o2) 1.79 0.2 0.2

!C8-G33
assign (resid 33 and name n1) (resid 8 and name n3) 2.87 0.2 0.2
assign (resid 33 and name h1) (resid 8 and name n3) 1.86 0.2 0.2
assign (resid 33 and name o6) (resid 8 and name n4) 2.81 0.2 0.2
assign (resid 33 and name o6) (resid 8 and name h41) 1.80 0.2 0.2
assign (resid 33 and name n2) (resid 8 and name o2) 2.81 0.2 0.2
assign (resid 33 and name h21) (resid 8 and name o2) 1.79 0.2 0.2

!A9-U32
assign (resid 9 and name n1) (resid 32 and name n3) 2.92 0.2 0.2
assign (resid 9 and name n1) (resid 32 and name h3) 1.81 0.2 0.2
assign (resid 9 and name n6) (resid 32 and name o4) 2.89 0.2 0.2
assign (resid 9 and name h61) (resid 32 and name o4) 1.87 0.2 0.2

!C10-G31
assign (resid 31 and name n1) (resid 10 and name n3) 2.87 0.2 0.2
assign (resid 31 and name h1) (resid 10 and name n3) 1.86 0.2 0.2
assign (resid 31 and name o6) (resid 10 and name n4) 2.81 0.2 0.2
assign (resid 31 and name o6) (resid 10 and name h41) 1.80 0.2 0.2
assign (resid 31 and name n2) (resid 10 and name o2) 2.81 0.2 0.2
assign (resid 31 and name h21) (resid 10 and name o2) 1.79 0.2 0.2

!G14-C27
assign (resid 14 and name n1) (resid 27 and name n3) 2.87 0.2 0.2
assign (resid 14 and name h1) (resid 27 and name n3) 1.86 0.2 0.2
assign (resid 14 and name o6) (resid 27 and name n4) 2.81 0.2 0.2
assign (resid 14 and name o6) (resid 27 and name h41) 1.80 0.2 0.2
assign (resid 14 and name n2) (resid 27 and name o2) 2.81 0.2 0.2
assign (resid 14 and name h21) (resid 27 and name o2) 1.79 0.2 0.2

!G15-C26
assign (resid 15 and name n1) (resid 26 and name n3) 2.87 0.2 0.2
assign (resid 15 and name h1) (resid 26 and name n3) 1.86 0.2 0.2
assign (resid 15 and name o6) (resid 26 and name n4) 2.81 0.2 0.2
assign (resid 15 and name o6) (resid 26 and name h41) 1.80 0.2 0.2
assign (resid 15 and name n2) (resid 26 and name o2) 2.81 0.2 0.2
assign (resid 15 and name h21) (resid 26 and name o2) 1.79 0.2 0.2

!U16-A25
assign (resid 25 and name n1) (resid 16 and name n3) 2.92 0.2 0.2
assign (resid 25 and name n1) (resid 16 and name h3) 1.81 0.2 0.2
assign (resid 25 and name n6) (resid 16 and name o4) 2.89 0.2 0.2
assign (resid 25 and name h61) (resid 16 and name o4) 1.87 0.2 0.2

!A17-U24 
assign (resid 17 and name n1) (resid 24 and name n3) 2.92 0.2 0.2
assign (resid 17 and name n1) (resid 24 and name h3) 1.81 0.2 0.2
assign (resid 17 and name n6) (resid 24 and name o4) 2.89 0.2 0.2
assign (resid 17 and name h61) (resid 24 and name o4) 1.87 0.2 0.2

!U18-G23   *standard anti-anti G-U wobble pair
assign (resid 23 and name O6) (resid 18 and name H3)  1.90 0.10 0.30
assign (resid 23 and name O6) (resid 18 and name N3)  3.00 0.28 0.08
assign (resid 23 and name H1) (resid 18 and name O2)  1.90 0.10 0.30
assign (resid 23 and name N1) (resid 18 and name O2)  3.00 0.28 0.08

 
! bulge 
	! U13-U28  
assign (resid 13 and name O4 ) (resid 28 and name N3 )   2.95 0.20 0.20  
assign (resid 13 and name O4 ) (resid 28 and name H3 )   2.00 0.20 0.20    
assign (resid 13 and name N3 ) (resid 28 and name O2 )   2.95 0.20 0.20   
assign (resid 13 and name H3 ) (resid 28 and name O2 )   2.00 0.20 0.20   
 
	! U11-U30  
assign (resid 30 and name O4 ) (resid 11 and name N3 )   2.95 0.20 0.20  
assign (resid 30 and name O4 ) (resid 11 and name H3 )   2.00 0.20 0.20    
assign (resid 30 and name N3 ) (resid 11 and name O2 )   2.95 0.20 0.20   
assign (resid 30 and name H3 ) (resid 11 and name O2 )   2.00 0.20 0.20  
  
	! C12-U29 444444-carbonyl amino  
assign (resid 12 and name N4 ) (resid 29 and name O4 )    2.95 0.20 0.20  
assign (resid 12 and name H41 ) (resid 29 and name O4 )   2.00 0.20 0.20    
assign (resid 12 and name N3 ) (resid 29 and name N3 )    2.95 0.20 0.20   
assign (resid 12 and name N3 ) (resid 29 and name H3 )    2.00 0.20 0.20   

 

!!!!!!!!!!!!!!   torsion angles   !!!!!!!!!!!!!!!!!!!!!!!

{ "N" C3'endo riboses in stems}

! G1

!nu1
! assign (resid  1 and name o4')
!        (resid  1 and name c1')
!        (resid  1 and name c2')
!        (resid  1 and name c3')  5.0 -24.6 10.0 2
!nu2
! assign (resid  1 and name c1')
!        (resid  1 and name c2')
!        (resid  1 and name c3')
!        (resid  1 and name c4')  5.0 35.9 5.0 2

! assign (resid  1 and name c2')
!        (resid  1 and name c3')
!        (resid  1 and name c4')
!        (resid  1 and name o4')  5.0 -35.3 10.0 2


! G2

!nu1
 assign (resid  2 and name o4')
        (resid  2 and name c1')
        (resid  2 and name c2')
        (resid  2 and name c3')  5.0 -24.6 10.0 2
!nu2
 assign (resid  2 and name c1')
        (resid  2 and name c2')
        (resid  2 and name c3')
        (resid  2 and name c4')  5.0 35.9 5.0 2

 assign (resid  2 and name c2')
        (resid  2 and name c3')
        (resid  2 and name c4')
        (resid  2 and name o4')  5.0 -35.3 10.0 2

! G3 
 
 assign (resid  3 and name o4') 
        (resid  3 and name c1') 
        (resid  3 and name c2') 
        (resid  3 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  3 and name c1') 
        (resid  3 and name c2') 
        (resid  3 and name c3') 
        (resid  3 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  3 and name c2') 
        (resid  3 and name c3') 
        (resid  3 and name c4') 
        (resid  3 and name o4')  5.0 -35.3 10.0 2 
 

 ! C4 
 
 assign (resid  4 and name o4') 
        (resid  4 and name c1') 
        (resid  4 and name c2') 
        (resid  4 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  4 and name c1') 
        (resid  4 and name c2') 
        (resid  4 and name c3') 
        (resid  4 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  4 and name c2') 
        (resid  4 and name c3') 
        (resid  4 and name c4') 
        (resid  4 and name o4')  5.0 -35.3 10.0 2 
 
 ! A6 
 
! assign (resid  6 and name o4') 
!        (resid  6 and name c1') 
!        (resid  6 and name c2') 
!        (resid  6 and name c3')  5.0 -24.6 10.0 2 
 
! assign (resid  6 and name c1') 
!        (resid  6 and name c2') 
!        (resid  6 and name c3') 
!        (resid  6 and name c4')  5.0 35.9 5.0 2 
 
! assign (resid  6 and name c2') 
!        (resid  6 and name c3') 
!        (resid  6 and name c4') 
!        (resid  6 and name o4')  5.0 -35.3 10.0 2 
 

 ! G7 
 
 assign (resid  7 and name o4') 
        (resid  7 and name c1') 
        (resid  7 and name c2') 
        (resid  7 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  7 and name c1') 
        (resid  7 and name c2') 
        (resid  7 and name c3') 
        (resid  7 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  7 and name c2') 
        (resid  7 and name c3') 
        (resid  7 and name c4') 
        (resid  7 and name o4')  5.0 -35.3 10.0 2 
 

! C8
  
 assign (resid  8 and name o4') 
        (resid  8 and name c1') 
        (resid  8 and name c2') 
        (resid  8 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  8 and name c1') 
        (resid  8 and name c2') 
        (resid  8 and name c3') 
        (resid  8 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  8 and name c2') 
        (resid  8 and name c3') 
        (resid  8 and name c4') 
        (resid  8 and name o4')  5.0 -35.3 10.0 2 

 ! A9
 
 assign (resid  9 and name o4') 
        (resid  9 and name c1') 
        (resid  9 and name c2') 
        (resid  9 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  9 and name c1') 
        (resid  9 and name c2') 
        (resid  9 and name c3') 
        (resid  9 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  9 and name c2') 
        (resid  9 and name c3') 
        (resid  9 and name c4') 
        (resid  9 and name o4')  5.0 -35.3 10.0 2 
 
 ! C10 
  
 assign (resid  10 and name o4') 
        (resid  10 and name c1') 
        (resid  10 and name c2') 
        (resid  10 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  10 and name c1') 
        (resid  10 and name c2') 
        (resid  10 and name c3') 
        (resid  10 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  10 and name c2') 
        (resid  10 and name c3') 
        (resid  10 and name c4') 
        (resid  10 and name o4')  5.0 -35.3 10.0 2 

 ! U11 

 assign (resid  11 and name o4') 
        (resid  11 and name c1') 
        (resid  11 and name c2') 
        (resid  11 and name c3')  5.0 -24.6 10.0 2

 assign (resid  11 and name c1') 
        (resid  11 and name c2') 
        (resid  11 and name c3') 
        (resid  11 and name c4')  5.0 35.9 5.0 2

 assign (resid  11 and name c2') 
        (resid  11 and name c3') 
        (resid  11 and name c4') 
        (resid  11 and name o4')  5.0 -35.3 10.0 2
 
! C12 
 
 assign (resid  12 and name o4') 
        (resid  12 and name c1') 
        (resid  12 and name c2') 
        (resid  12 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  12 and name c1') 
        (resid  12 and name c2') 
        (resid  12 and name c3') 
        (resid  12 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  12 and name c2') 
        (resid  12 and name c3') 
        (resid  12 and name c4') 
        (resid  12 and name o4')  5.0 -35.3 10.0 2 

! U13 

 assign (resid  13 and name o4') 
        (resid  13 and name c1') 
        (resid  13 and name c2') 
        (resid  13 and name c3')  5.0 -24.6 10.0 2

 assign (resid  13 and name c1') 
        (resid  13 and name c2') 
        (resid  13 and name c3') 
        (resid  13 and name c4')  5.0 35.9 5.0 2

 assign (resid  13 and name c2') 
        (resid  13 and name c3') 
        (resid  13 and name c4') 
        (resid  13 and name o4')  5.0 -35.3 10.0 2

! G14

 assign (resid  14 and name o4') 
        (resid  14 and name c1') 
        (resid  14 and name c2') 
        (resid  14 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  14 and name c1') 
        (resid  14 and name c2') 
        (resid  14 and name c3') 
        (resid  14 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  14 and name c2') 
        (resid  14 and name c3') 
        (resid  14 and name c4') 
        (resid  14 and name o4')  5.0 -35.3 10.0 2 

! G15

 assign (resid  15 and name o4') 
        (resid  15 and name c1') 
        (resid  15 and name c2') 
        (resid  15 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  15 and name c1') 
        (resid  15 and name c2') 
        (resid  15 and name c3') 
        (resid  15 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  15 and name c2') 
        (resid  15 and name c3') 
        (resid  15 and name c4') 
        (resid  15 and name o4')  5.0 -35.3 10.0 2 

! U16
 
 assign (resid  16 and name o4') 
        (resid  16 and name c1') 
        (resid  16 and name c2') 
        (resid  16 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  16 and name c1') 
        (resid  16 and name c2') 
        (resid  16 and name c3') 
        (resid  16 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  16 and name c2') 
        (resid  16 and name c3') 
        (resid  16 and name c4') 
        (resid  16 and name o4')  5.0 -35.3 10.0 2 

 ! A17
 
 assign (resid  17 and name o4') 
        (resid  17 and name c1') 
        (resid  17 and name c2') 
        (resid  17 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  17 and name c1') 
        (resid  17 and name c2') 
        (resid  17 and name c3') 
        (resid  17 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  17 and name c2') 
        (resid  17 and name c3') 
        (resid  17 and name c4') 
        (resid  17 and name o4')  5.0 -35.3 10.0 2 

! U18 
 
 assign (resid  18 and name o4') 
        (resid  18 and name c1') 
        (resid  18 and name c2') 
        (resid  18 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  18 and name c1') 
        (resid  18 and name c2') 
        (resid  18 and name c3') 
        (resid  18 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  18 and name c2') 
        (resid  18 and name c3') 
        (resid  18 and name c4') 
        (resid  18 and name o4')  5.0 -35.3 10.0 2 

 ! U19 
 
 assign (resid  19 and name o4') 
        (resid  19 and name c1') 
        (resid  19 and name c2') 
        (resid  19 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  19 and name c1') 
        (resid  19 and name c2') 
        (resid  19 and name c3') 
        (resid  19 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  19 and name c2') 
        (resid  19 and name c3') 
        (resid  19 and name c4') 
        (resid  19 and name o4')  5.0 -35.3 10.0 2 

! G22
 
 assign (resid  22 and name o4') 
        (resid  22 and name c1') 
        (resid  22 and name c2') 
        (resid  22 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  22 and name c1') 
        (resid  22 and name c2') 
        (resid  22 and name c3') 
        (resid  22 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  22 and name c2') 
        (resid  22 and name c3') 
        (resid  22 and name c4') 
        (resid  22 and name o4')  5.0 -35.3 10.0 2 

! G23

 assign (resid  23 and name o4') 
        (resid  23 and name c1') 
        (resid  23 and name c2') 
        (resid  23 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  23 and name c1') 
        (resid  23 and name c2') 
        (resid  23 and name c3') 
        (resid  23 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  23 and name c2') 
        (resid  23 and name c3') 
        (resid  23 and name c4') 
        (resid  23 and name o4')  5.0 -35.3 10.0 2 

! U24

 assign (resid  24 and name o4') 
        (resid  24 and name c1') 
        (resid  24 and name c2') 
        (resid  24 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  24 and name c1') 
        (resid  24 and name c2') 
        (resid  24 and name c3') 
        (resid  24 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  24 and name c2') 
        (resid  24 and name c3') 
        (resid  24 and name c4') 
        (resid  24 and name o4')  5.0 -35.3 10.0 2 
 
! A25

 assign (resid  25 and name o4') 
        (resid  25 and name c1') 
        (resid  25 and name c2') 
        (resid  25 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  25 and name c1') 
        (resid  25 and name c2') 
        (resid  25 and name c3') 
        (resid  25 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  25 and name c2') 
        (resid  25 and name c3') 
        (resid  25 and name c4') 
        (resid  25 and name o4')  5.0 -35.3 10.0 2 

! C26
 
 assign (resid  26 and name o4') 
        (resid  26 and name c1') 
        (resid  26 and name c2') 
        (resid  26 and name c3')  5.0 -24.6 10.0 2

 assign (resid  26 and name c1') 
        (resid  26 and name c2') 
        (resid  26 and name c3') 
        (resid  26 and name c4')  5.0 35.9 5.0 2

 assign (resid  26 and name c2') 
        (resid  26 and name c3') 
        (resid  26 and name c4') 
        (resid  26 and name o4')  5.0 -35.3 10.0 2

! C27

 assign (resid  27 and name o4') 
        (resid  27 and name c1') 
        (resid  27 and name c2') 
        (resid  27 and name c3')  5.0 -24.6 10.0 2

 assign (resid  27 and name c1') 
        (resid  27 and name c2') 
        (resid  27 and name c3') 
        (resid  27 and name c4')  5.0 35.9 5.0 2

 assign (resid  27 and name c2') 
        (resid  27 and name c3') 
        (resid  27 and name c4') 
        (resid  27 and name o4')  5.0 -35.3 10.0 2
 
! U28

 assign (resid  28 and name o4') 
        (resid  28 and name c1') 
        (resid  28 and name c2') 
        (resid  28 and name c3')  5.0 -24.6 10.0 2

 assign (resid  28 and name c1') 
        (resid  28 and name c2') 
        (resid  28 and name c3') 
        (resid  28 and name c4')  5.0 35.9 5.0 2

 assign (resid  28 and name c2') 
        (resid  28 and name c3') 
        (resid  28 and name c4') 
        (resid  28 and name o4')  5.0 -35.3 10.0 2

 ! U29

 assign (resid  29 and name o4') 
        (resid  29 and name c1') 
        (resid  29 and name c2') 
        (resid  29 and name c3')  5.0 -24.6 10.0 2

 assign (resid  29 and name c1') 
        (resid  29 and name c2') 
        (resid  29 and name c3') 
        (resid  29 and name c4')  5.0 35.9 5.0 2

 assign (resid  29 and name c2')  
        (resid  29 and name c3') 
        (resid  29 and name c4') 
        (resid  29 and name o4')  5.0 -35.3 10.0 2

! U30

 assign (resid  30 and name o4') 
        (resid  30 and name c1') 
        (resid  30 and name c2') 
        (resid  30 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  30 and name c1') 
        (resid  30 and name c2') 
        (resid  30 and name c3') 
        (resid  30 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  30 and name c2') 
        (resid  30 and name c3') 
        (resid  30 and name c4') 
        (resid  30 and name o4')  5.0 -35.3 10.0 2 

! G31
 
 assign (resid  31 and name o4') 
        (resid  31 and name c1') 
        (resid  31 and name c2') 
        (resid  31 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  31 and name c1') 
        (resid  31 and name c2') 
        (resid  31 and name c3') 
        (resid  31 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  31 and name c2') 
        (resid  31 and name c3') 
        (resid  31 and name c4') 
        (resid  31 and name o4')  5.0 -35.3 10.0 2 

! U32
 
 assign (resid  32 and name o4') 
        (resid  32 and name c1') 
        (resid  32 and name c2') 
        (resid  32 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  32 and name c1') 
        (resid  32 and name c2') 
        (resid  32 and name c3') 
        (resid  32 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  32 and name c2') 
        (resid  32 and name c3') 
        (resid  32 and name c4') 
        (resid  32 and name o4')  5.0 -35.3 10.0 2 
 
! G33
 
 assign (resid  33 and name o4') 
        (resid  33 and name c1') 
        (resid  33 and name c2') 
        (resid  33 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  33 and name c1') 
        (resid  33 and name c2') 
        (resid  33 and name c3') 
        (resid  33 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  33 and name c2') 
        (resid  33 and name c3') 
        (resid  33 and name c4') 
        (resid  33 and name o4')  5.0 -35.3 10.0 2 

! C34

 assign (resid  34 and name o4') 
        (resid  34 and name c1') 
        (resid  34 and name c2') 
        (resid  34 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  34 and name c1') 
        (resid  34 and name c2') 
        (resid  34 and name c3') 
        (resid  34 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  34 and name c2') 
        (resid  34 and name c3') 
        (resid  34 and name c4') 
        (resid  34 and name o4')  5.0 -35.3 10.0 2 

! G35
 
 assign (resid  35 and name o4') 
        (resid  35 and name c1') 
        (resid  35 and name c2') 
        (resid  35 and name c3')  5.0 -24.6 10.0 2 
 
 assign (resid  35 and name c1') 
        (resid  35 and name c2') 
        (resid  35 and name c3') 
        (resid  35 and name c4')  5.0 35.9 5.0 2 
 
 assign (resid  35 and name c2') 
        (resid  35 and name c3') 
        (resid  35 and name c4') 
        (resid  35 and name o4')  5.0 -35.3 10.0 2 

! C36 

 assign (resid  36 and name o4') 
        (resid  36 and name c1') 
        (resid  36 and name c2') 
        (resid  36 and name c3')  5.0 -24.6 10.0 2

 assign (resid  36 and name c1') 
        (resid  36 and name c2') 
        (resid  36 and name c3') 
        (resid  36 and name c4')  5.0 35.9 5.0 2

 assign (resid  36 and name c2') 
        (resid  36 and name c3') 
        (resid  36 and name c4') 
        (resid  36 and name o4')  5.0 -35.3 10.0 2

! C37 

 assign (resid  37 and name o4') 
        (resid  37 and name c1') 
        (resid  37 and name c2') 
        (resid  37 and name c3')  5.0 -24.6 10.0 2

 assign (resid  37 and name c1') 
        (resid  37 and name c2') 
        (resid  37 and name c3') 
        (resid  37 and name c4')  5.0 35.9 5.0 2

 assign (resid  37 and name c2') 
        (resid  37 and name c3') 
        (resid  37 and name c4') 
        (resid  37 and name o4')  5.0 -35.3 10.0 2
 
! C38 

! assign (resid  38 and name o4') 
!        (resid  38 and name c1') 
!        (resid  38 and name c2') 
!        (resid  38 and name c3')  5.0 -24.6 10.0 2

! assign (resid  38 and name c1') 
!        (resid  38 and name c2') 
!        (resid  38 and name c3') 
!        (resid  38 and name c4')  5.0 35.9 5.0 2

! assign (resid  38 and name c2') 
!        (resid  38 and name c3') 
!        (resid  38 and name c4') 
!        (resid  38 and name o4')  5.0 -35.3 10.0 2
 



{ C2' endo riboses in loop} 
 

! U5 

 assign (resid  5 and name o4') 
        (resid  5 and name c1') 
        (resid  5 and name c2') 
        (resid  5 and name c3')  5.0 35.2 10.0 2

 assign (resid  5 and name c1') 
        (resid  5 and name c2') 
        (resid  5 and name c3') 
        (resid  5 and name c4')  5.0 -35.4 10.0 2

 assign (resid  5 and name c2') 
        (resid  5 and name c3') 
        (resid  5 and name c4') 
        (resid  5 and name o4')  5.0 24.2 10.0 2 

! A20 

 assign (resid  20 and name o4') 
        (resid  20 and name c1') 
        (resid  20 and name c2') 
        (resid  20 and name c3')  5.0 35.2 10.0 2

 assign (resid  20 and name c1') 
        (resid  20 and name c2') 
        (resid  20 and name c3') 
        (resid  20 and name c4')  5.0 -35.4 10.0 2

 assign (resid  20 and name c2') 
        (resid  20 and name c3') 
        (resid  20 and name c4') 
        (resid  20 and name o4')  5.0 24.2 10.0 2

! C21 

 assign (resid  21 and name o4') 
        (resid  21 and name c1') 
        (resid  21 and name c2') 
        (resid  21 and name c3')  5.0 35.2 10.0 2

 assign (resid  21 and name c1') 
        (resid  21 and name c2') 
        (resid  21 and name c3') 
        (resid  21 and name c4')  5.0 -35.4 10.0 2

 assign (resid  21 and name c2') 
        (resid  21 and name c3') 
        (resid  21 and name c4') 
        (resid  21 and name o4')  5.0 24.2 10.0 2


{ A-form backbone torsion angle } 

! G1
 assign (resid  1 and name c4')   
        (resid  1 and name c3')   
        (resid  1 and name o3')   
        (resid  2 and name p)  5.0 -153.0 45.0 2

 assign (resid  1 and name c3')   
        (resid  1 and name o3')   
        (resid  2 and name p)   
        (resid  2 and name o5')  5.0 -71.0 45.0 2
 
! G2
 assign (resid  1 and name o3')  
        (resid  2 and name p)   
        (resid  2 and name o5')   
        (resid  2 and name c5')  5.0 -68.0 45.0 2 
 
 assign (resid  2 and name p)   
        (resid  2 and name o5')   
        (resid  2 and name c5')   
        (resid  2 and name c4')  5.0 178.0 45.0 2 
 
 assign (resid  2 and name o5')  
        (resid  2 and name c5')   
        (resid  2 and name c4')   
        (resid  2 and name c3')  5.0 54.0 45.0 2

 assign (resid  2 and name c4')   
        (resid  2 and name c3')   
        (resid  2 and name o3')   
        (resid  3 and name p)  5.0 -153.0 45.0 2

 assign (resid  2 and name c3')   
        (resid  2 and name o3')   
        (resid  3 and name p)   
        (resid  3 and name o5')  5.0 -71.0 45.0 2


! G3

 assign (resid  2 and name o3')  
        (resid  3 and name p)   
        (resid  3 and name o5')  
        (resid  3 and name c5')  5.0 -68.0 45.0 2

 assign (resid  3 and name p)  
        (resid  3 and name o5')   
        (resid  3 and name c5')   
        (resid  3 and name c4')  5.0 178.0 45.0 2

 assign (resid  3 and name o5')  
        (resid  3 and name c5') 
        (resid  3 and name c4')  
        (resid  3 and name c3')  5.0 54.0 45.0 2

 assign (resid  3 and name c4')  
        (resid  3 and name c3')   
        (resid  3 and name o3')   
        (resid  4 and name p)  5.0 -153.0 45.0 2

 assign (resid  3 and name c3')   
        (resid  3 and name o3')   
        (resid  4 and name p)   
        (resid  4 and name o5')  5.0 -71.0 45.0 2


! C8

 assign (resid  7 and name o3')   
        (resid  8 and name p)   
        (resid  8 and name o5')   
        (resid  8 and name c5')  5.0 -68.0 45.0 2

 assign (resid  8 and name p)   
        (resid  8 and name o5')   
        (resid  8 and name c5')   
        (resid  8 and name c4')  5.0 178.0 45.0 2

 assign (resid  8 and name o5')  
        (resid  8 and name c5')  
        (resid  8 and name c4')   
        (resid  8 and name c3')  5.0 54.0 45.0 2

 assign (resid  8 and name c4')   
        (resid  8 and name c3')   
        (resid  8 and name o3')   
        (resid  9 and name p)  5.0 -153.0 45.0 2

 assign (resid  8 and name c3')  
        (resid  8 and name o3')   
        (resid  9 and name p)  
        (resid  9 and name o5')  5.0 -71.0 45.0 2

! A9

 assign (resid  8 and name o3')   
        (resid  9 and name p)   
        (resid  9 and name o5')   
        (resid  9 and name c5')  5.0 -68.0 45.0 2

 assign (resid  9 and name p)   
        (resid  9 and name o5')   
        (resid  9 and name c5')   
        (resid  9 and name c4')  5.0 178.0 45.0 2

 assign (resid  9 and name o5')   
        (resid  9 and name c5')   
        (resid  9 and name c4')   
        (resid  9 and name c3')  5.0 54.0 45.0 2

 assign (resid  9 and name c4')   
        (resid  9 and name c3')   
        (resid  9 and name o3')   
        (resid  10 and name p)  5.0 -153.0 45.0 2

 assign (resid  9 and name c3')   
        (resid  9 and name o3')   
        (resid  10 and name p)   
        (resid  10 and name o5')  5.0 -71.0 45.0 2

! C10

 assign (resid  9 and name o3')   
        (resid  10  and name p)   
        (resid  10  and name o5')   
        (resid  10  and name c5')  5.0 -68.0 45.0 2

 assign (resid  10  and name p)   
        (resid  10  and name o5')   
        (resid  10  and name c5')   
        (resid  10  and name c4')  5.0 178.0 45.0 2

 assign (resid  10  and name o5')  
        (resid  10  and name c5')   
        (resid  10  and name c4')   
        (resid  10  and name c3')  5.0 54.0 45.0 2

! G14

 assign (resid  14  and name p)   
        (resid  14  and name o5')   
        (resid  14  and name c5')   
        (resid  14  and name c4')  5.0 178.0 45.0 2

 assign (resid  14  and name o5')   
        (resid  14  and name c5')   
        (resid  14  and name c4')   
        (resid  14  and name c3')  5.0 54.0 45.0 2

 assign (resid  14  and name c4')   
        (resid  14  and name c3')   
        (resid  14  and name o3')  
        (resid  15  and name p)  5.0 -153.0 45.0 2

 assign (resid  14  and name c3')   
        (resid  14  and name o3')   
        (resid  15  and name p)   
        (resid  15  and name o5')  5.0 -71.0 45.0 2

! G15

 assign (resid  14  and name o3')   
        (resid  15  and name p)   
        (resid  15  and name o5')   
        (resid  15  and name c5')  5.0 -68.0 45.0 2	

 assign (resid  15  and name p)   
        (resid  15  and name o5')   
        (resid  15  and name c5')   
        (resid  15  and name c4')  5.0 178.0 45.0 2

 assign (resid  15  and name o5')  
        (resid  15  and name c5')  
        (resid  15  and name c4')  
        (resid  15  and name c3')  5.0 54.0 45.0 2

 assign (resid  15  and name c4')   
        (resid  15  and name c3')  
        (resid  15  and name o3')   
        (resid  16  and name p)  5.0 -153.0 45.0 2

 assign (resid  15  and name c3')  
        (resid  15  and name o3')  
        (resid  16  and name p)  
        (resid  16  and name o5')  5.0 -71.0 45.0 2

! U16

 assign (resid  15  and name o3')   
        (resid  16  and name p)   
        (resid  16  and name o5')   
        (resid  16  and name c5')  5.0 -68.0 45.0 2

 assign (resid  16  and name p) 
        (resid  16  and name o5')  
        (resid  16  and name c5')   
        (resid  16  and name c4')  5.0 178.0 45.0 2

 assign (resid  16  and name o5')   
        (resid  16  and name c5')   
        (resid  16  and name c4')   
        (resid  16  and name c3')  5.0 54.0 45.0 2

 assign (resid  16  and name c4')  
        (resid  16  and name c3')   
        (resid  16  and name o3')   
        (resid  17  and name p)  5.0 -153.0 45.0 2

 assign (resid  16  and name c3')  
        (resid  16  and name o3')  
        (resid  17  and name p)   
        (resid  17  and name o5')  5.0 -71.0 45.0 2

! A17

 assign (resid  16  and name o3')  
        (resid  17  and name p)   
        (resid  17  and name o5')   
        (resid  17  and name c5')  5.0 -68.0 45.0 2

 assign (resid  17  and name p)   
        (resid  17  and name o5')   
        (resid  17  and name c5')   
        (resid  17  and name c4')  5.0 178.0 45.0 2

 assign (resid  17  and name o5')   
        (resid  17  and name c5')   
        (resid  17  and name c4')  
        (resid  17  and name c3')  5.0 54.0 45.0 2

 assign (resid  17  and name c4')  
        (resid  17  and name c3')   
        (resid  17  and name o3')   
        (resid  18  and name p)  5.0 -153.0 45.0 2

! U24

 assign (resid  24  and name p)  
        (resid  24  and name o5')  
        (resid  24  and name c5')   
        (resid  24  and name c4')  5.0 178.0 45.0 2

 assign (resid  24  and name o5')   
        (resid  24  and name c5')   
        (resid  24  and name c4')   
        (resid  24  and name c3')  5.0 54.0 45.0 2

 assign (resid  24  and name c4')  
        (resid  24  and name c3')   
        (resid  24  and name o3')   
        (resid  25  and name p)  5.0 -153.0 45.0 2

 assign (resid  24  and name c3')  
        (resid  24  and name o3')  
        (resid  25  and name p)   
        (resid  25  and name o5')  5.0 -71.0 45.0 2

! A25

 assign (resid  24  and name o3')  
        (resid  25  and name p)   
        (resid  25  and name o5')   
        (resid  25  and name c5')  5.0 -68.0 45.0 2

 assign (resid  25  and name p)   
        (resid  25  and name o5')   
        (resid  25  and name c5')   
        (resid  25  and name c4')  5.0 178.0 45.0 2

 assign (resid  25  and name o5')  
        (resid  25  and name c5')   
        (resid  25  and name c4')   
        (resid  25  and name c3')  5.0 54.0 45.0 2

 assign (resid  25  and name c4')   
        (resid  25  and name c3')   
        (resid  25  and name o3')   
        (resid  26  and name p)  5.0 -153.0 45.0 2

 assign (resid  25  and name c3')  
        (resid  25  and name o3')   
        (resid  26  and name p)  
        (resid  26  and name o5')  5.0 -71.0 45.0 2

! C26

 assign (resid  25  and name o3')   
        (resid  26  and name p)   
        (resid  26  and name o5')   
        (resid  26  and name c5')  5.0 -68.0 45.0 2

 assign (resid  26  and name p)  
        (resid  26  and name o5')   
        (resid  26  and name c5')   
        (resid  26  and name c4')  5.0 178.0 45.0 2

 assign (resid  26  and name o5')  
        (resid  26  and name c5')   
        (resid  26  and name c4')  
        (resid  26  and name c3')  5.0 54.0 45.0 2

 assign (resid  26  and name c4')   
        (resid  26  and name c3')   
        (resid  26  and name o3')   
        (resid  27  and name p)  5.0 -153.0 45.0 2

 assign (resid  26  and name c3')  
        (resid  26  and name o3')   
        (resid  27  and name p)   
        (resid  27  and name o5')  5.0 -71.0 45.0 2

! C27

 assign (resid  26  and name o3')  
        (resid  27  and name p)   
        (resid  27  and name o5')   
        (resid  27  and name c5')  5.0 -68.0 45.0 2

 assign (resid  27  and name p)   
        (resid  27  and name o5')   
        (resid  27  and name c5')   
        (resid  27  and name c4')  5.0 178.0 45.0 2

 assign (resid  27  and name o5')   
        (resid  27  and name c5')   
        (resid  27  and name c4')  
        (resid  27  and name c3')  5.0 54.0 45.0 2
 
 ! G31

 assign (resid  31  and name p)   
        (resid  31  and name o5')   
        (resid  31  and name c5')   
        (resid  31  and name c4')  5.0 178.0 45.0 2

 assign (resid  31  and name o5')  
        (resid  31  and name c5')   
        (resid  31  and name c4')   
        (resid  31  and name c3')  5.0 54.0 45.0 2

 assign (resid  31  and name c4')  
        (resid  31  and name c3')  
        (resid  31  and name o3')   
        (resid  32  and name p)  5.0 -153.0 45.0 2

 assign (resid  31  and name c3')  
        (resid  31  and name o3')  
        (resid  32  and name p)   
        (resid  32  and name o5')  5.0 -71.0 45.0 2

! U32

 assign (resid  31  and name o3')  
        (resid  32  and name p) 
        (resid  32  and name o5')  
        (resid  32  and name c5')  5.0 -68.0 45.0 2

 assign (resid  32  and name p)   
        (resid  32  and name o5')   
        (resid  32  and name c5')   
        (resid  32  and name c4')  5.0 178.0 45.0 2

 assign (resid  32  and name o5')   
        (resid  32  and name c5')  
        (resid  32  and name c4')  
        (resid  32  and name c3')  5.0 54.0 45.0 2

 assign (resid  32  and name c4')  
        (resid  32  and name c3')  
        (resid  32  and name o3')  
        (resid  33  and name p)  5.0 -153.0 45.0 2

 assign (resid  32  and name c3')  
        (resid  32  and name o3')  
        (resid  33  and name p) 
        (resid  33  and name o5')  5.0 -71.0 45.0 2

! C34

 assign (resid  33  and name o3')  
        (resid  34  and name p)  
        (resid  34  and name o5')   
        (resid  34  and name c5')  5.0 -68.0 45.0 2

 assign (resid  34  and name p)   
        (resid  34  and name o5')  
        (resid  34  and name c5')  
        (resid  34  and name c4')  5.0 178.0 45.0 2

 assign (resid  34  and name o5')  
        (resid  34  and name c5')   
        (resid  34  and name c4')   
        (resid  34  and name c3')  5.0 54.0 45.0 2

 ! G35

 assign (resid  35  and name p)   
        (resid  35  and name o5')   
        (resid  35  and name c5')   
        (resid  35  and name c4')  5.0 178.0 45.0 2

 assign (resid  35  and name o5')  
        (resid  35  and name c5')   
        (resid  35  and name c4')   
        (resid  35  and name c3')  5.0 54.0 45.0 2

 assign (resid  35  and name c4')  
        (resid  35  and name c3')   
        (resid  35  and name o3')   
        (resid  36  and name p)  5.0 -153.0 45.0 2

 assign (resid  35  and name c3')  
        (resid  35  and name o3')  
        (resid  36  and name p)   
        (resid  36  and name o5')  5.0 -71.0 45.0 2

! C36

 assign (resid  35  and name o3')  
        (resid  36  and name p)   
        (resid  36  and name o5')   
        (resid  36  and name c5')  5.0 -68.0 45.0 2

 assign (resid  36  and name p)   
        (resid  36  and name o5')   
        (resid  36  and name c5')   
        (resid  36  and name c4')  5.0 178.0 45.0 2

 assign (resid  36  and name o5')   
        (resid  36  and name c5')   
        (resid  36  and name c4')   
        (resid  36  and name c3')  5.0 54.0 45.0 2

 assign (resid  36  and name c4')   
        (resid  36  and name c3')   
        (resid  36  and name o3')   
        (resid  37  and name p)  5.0 -153.0 45.0 2

 assign (resid  36  and name c3')  
        (resid  36  and name o3')   
        (resid  37  and name p)   
        (resid  37  and name o5')  5.0 -71.0 45.0 2

! C37

	!ALPHA 
 assign (resid  36  and name o3')  
        (resid  37  and name p)   
        (resid  37  and name o5')   
        (resid  37  and name c5')  5.0 -68.0 45.0 2

	!BETA 
 assign (resid  37  and name p)  
        (resid  37  and name o5')  
        (resid  37  and name c5')   
        (resid  37  and name c4')  5.0 178.0 45.0 2

	!GAMMA 
 assign (resid  37  and name o5')  
        (resid  37  and name c5')  
        (resid  37  and name c4')  
        (resid  37  and name c3')  5.0 54.0 45.0 2

	!EPSI 
 assign (resid  37  and name c4')  
        (resid  37  and name c3')  
        (resid  37  and name o3')  
        (resid  38  and name p)  5.0 -153.0 45.0 2

	!ZETA 
 assign (resid  37  and name c3')   
        (resid  37  and name o3')   
        (resid  38  and name p)   
        (resid  38  and name o5')  5.0 -71.0 45.0 2 


!
!  Torsion angle restraints for the chi torsion angle
!  
!  Xhi is defined as follows...
!               Purines     = O4'-C1'-N9-C4
!               Pyrimidines = O4'-C1'-N1-C2
!	Anti:
!		Xhi = 180.0 +/- 90.0
!  	including high-anti and excluding high-syn:
!		Xhi = -150.0 +/- 90.0
!	Syn:
!		Xhi =   0.0 +/- 90.0
!       See Saenger page 22.
!
!  There is one syn base: G22.
! 
!
assign (resid  1 and name O4') 
       (resid  1 and name C1')
       (resid  1 and name N9 )
       (resid  1 and name C4 ) 1.0 -150.0 90.0 2

assign (resid  2 and name O4') 
       (resid  2 and name C1')
       (resid  2 and name N9 )
       (resid  2 and name C4 ) 1.0 -150.0 90.0 2

assign (resid  3 and name O4') 
       (resid  3 and name C1')
       (resid  3 and name N1 )
       (resid  3 and name C2 ) 1.0 -150.0 90.0 2

assign (resid  4 and name O4') 
       (resid  4 and name C1')
       (resid  4 and name N1 )
       (resid  4 and name C2 ) 1.0 -150.0 90.0 2

assign (resid  5 and name O4') 
       (resid  5 and name C1')
       (resid  5 and name N1 )
       (resid  5 and name C2 ) 1.0 -150.0 90.0 2

assign (resid  6 and name O4') 
       (resid  6 and name C1')
       (resid  6 and name N9 )
       (resid  6 and name C4 ) 1.0 -150.0 90.0 2

assign (resid  7 and name O4') 
       (resid  7 and name C1')
       (resid  7 and name N9 )
       (resid  7 and name C4 ) 1.0 -150.0 90.0 2

assign (resid  8 and name O4') 
       (resid  8 and name C1')
       (resid  8 and name N1 )
       (resid  8 and name C2 ) 1.0 -150.0 90.0 2

assign (resid  9 and name O4') 
       (resid  9 and name C1')
       (resid  9 and name N9 )
       (resid  9 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 10 and name O4') 
       (resid 10 and name C1')
       (resid 10 and name N1 )
       (resid 10 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 11 and name O4') 
       (resid 11 and name C1')
       (resid 11 and name N1 )
       (resid 11 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 12 and name O4') 
       (resid 12 and name C1')
       (resid 12 and name N1 )
       (resid 12 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 13 and name O4') 
       (resid 13 and name C1')
       (resid 13 and name N1 )
       (resid 13 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 14 and name O4') 
       (resid 14 and name C1')
       (resid 14 and name N9 )
       (resid 14 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 15 and name O4') 
       (resid 15 and name C1')
       (resid 15 and name N9 )
       (resid 15 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 16 and name O4') 
       (resid 16 and name C1')
       (resid 16 and name N1 )
       (resid 16 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 17 and name O4') 
       (resid 17 and name C1')
       (resid 17 and name N9 )
       (resid 17 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 18 and name O4') 
       (resid 18 and name C1')
       (resid 18 and name N1 )
       (resid 18 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 19 and name O4') 
       (resid 19 and name C1')
       (resid 19 and name N1 )
       (resid 19 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 20 and name O4') 
       (resid 20 and name C1')
       (resid 20 and name N9 )
       (resid 20 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 21 and name O4') 
       (resid 21 and name C1')
       (resid 21 and name N1 )
       (resid 21 and name C2 ) 1.0 -150.0 90.0 2

!G22 syn
assign (resid 22 and name O4') 
       (resid 22 and name C1')
       (resid 22 and name N9 )
       (resid 22 and name C4 ) 1.0 -0.0 90.0 2

assign (resid 23 and name O4') 
       (resid 23 and name C1')
       (resid 23 and name N9 )
       (resid 23 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 24 and name O4') 
       (resid 24 and name C1')
       (resid 24 and name N1 )
       (resid 24 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 25 and name O4') 
       (resid 25 and name C1')
       (resid 25 and name N9 )
       (resid 25 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 26 and name O4') 
       (resid 26 and name C1')
       (resid 26 and name N1 )
       (resid 26 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 27 and name O4') 
       (resid 27 and name C1')
       (resid 27 and name N1 )
       (resid 27 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 28 and name O4') 
       (resid 28 and name C1')
       (resid 28 and name N1 )
       (resid 28 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 29 and name O4') 
       (resid 29 and name C1')
       (resid 29 and name N1 )
       (resid 29 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 30 and name O4') 
       (resid 30 and name C1')
       (resid 30 and name N1 )
       (resid 30 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 31 and name O4') 
       (resid 31 and name C1')
       (resid 31 and name N9 )
       (resid 31 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 32 and name O4') 
       (resid 32 and name C1')
       (resid 32 and name N1 )
       (resid 32 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 33 and name O4') 
       (resid 33 and name C1')
       (resid 33 and name N9 )
       (resid 33 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 34 and name O4') 
       (resid 34 and name C1')
       (resid 34 and name N1 )
       (resid 34 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 35 and name O4') 
       (resid 35 and name C1')
       (resid 35 and name N9 )
       (resid 35 and name C4 ) 1.0 -150.0 90.0 2

assign (resid 36 and name O4') 
       (resid 36 and name C1')
       (resid 36 and name N1 )
       (resid 36 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 37 and name O4') 
       (resid 37 and name C1')
       (resid 37 and name N1 )
       (resid 37 and name C2 ) 1.0 -150.0 90.0 2

assign (resid 38 and name O4') 
       (resid 38 and name C1')
       (resid 38 and name N1 )
       (resid 38 and name C2 ) 1.0 -150.0 90.0 2




!!!!!!!!!!!!!    RDCs    !!!!!!!!!!!!!!!!!!!

assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   3    and name C1'  )
       ( resid   3    and name H1'  )  -6.790 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   9    and name C1'  )
       ( resid   9    and name H1'  ) -39.270 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  10    and name C1'  )
       ( resid  10    and name H1'  ) -41.630 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  12    and name C1'  )
       ( resid  12    and name H1'  ) -18.850 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  14    and name C1'  )
       ( resid  14    and name H1'  )  -6.420 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  15    and name C1'  )
       ( resid  15    and name H1'  ) -32.550 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  17    and name C1'  )
       ( resid  17    and name H1'  ) -28.980 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  18    and name C1'  )
       ( resid  18    and name H1'  ) -32.290 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C1'  )
       ( resid  20    and name H1'  )  24.290 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  21    and name C1'  )
       ( resid  21    and name H1'  )  -9.960 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  22    and name C1'  )
       ( resid  22    and name H1'  )  27.770 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  23    and name C1'  )
       ( resid  23    and name H1'  ) -32.580 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  25    and name C1'  )
       ( resid  25    and name H1'  ) -28.820 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  26    and name C1'  )
       ( resid  26    and name H1'  ) -32.590 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  36    and name C1'  )
       ( resid  36    and name H1'  ) -25.950 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C1'  )
       ( resid  38    and name H1'  )  17.800 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   1    and name C2'  )
       ( resid   1    and name H2'  )   2.700 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   9    and name C2'  )
       ( resid   9    and name H2'  )  25.800 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  14    and name C2'  )
       ( resid  14    and name H2'  )  11.460 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  17    and name C2'  )
       ( resid  17    and name H2'  )  21.560 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  18    and name C2'  )
       ( resid  18    and name H2'  )  16.750 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  19    and name C2'  )
       ( resid  19    and name H2'  )  11.170 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C2'  )
       ( resid  20    and name H2'  )  17.500 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  21    and name C2'  )
       ( resid  21    and name H2'  ) -23.230 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  22    and name C2'  )
       ( resid  22    and name H2'  )  -3.330 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  28    and name C2'  )
       ( resid  28    and name H2'  )  17.800 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  29    and name C2'  )
       ( resid  29    and name H2'  )   8.750 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  36    and name C2'  )
       ( resid  36    and name H2'  )   6.640 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C2'  )
       ( resid  38    and name H2'  )   6.040 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   9    and name C3'  )
       ( resid   9    and name H3'  )  25.040 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  10    and name C3'  )
       ( resid  10    and name H3'  )  21.570 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  15    and name C3'  )
       ( resid  15    and name H3'  )  20.980 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  16    and name C3'  )
       ( resid  16    and name H3'  )  18.870 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C3'  )
       ( resid  20    and name H3'  )  18.710 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  21    and name C3'  )
       ( resid  21    and name H3'  ) -11.770 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  22    and name C3'  )
       ( resid  22    and name H3'  )  29.270 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  23    and name C3'  )
       ( resid  23    and name H3'  )  13.880 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  24    and name C3'  )
       ( resid  24    and name H3'  )  12.830 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  25    and name C3'  )
       ( resid  25    and name H3'  )  17.040 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  26    and name C3'  )
       ( resid  26    and name H3'  )  15.840 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  27    and name C3'  )
       ( resid  27    and name H3'  )  19.770 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C3'  )
       ( resid  38    and name H3'  )  23.840 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C4'  )
       ( resid  20    and name H4'  ) -23.990 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C4'  )
       ( resid  38    and name H4'  )  29.410 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   1    and name C8  )
       ( resid   1    and name H8  )  26.560 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   2    and name C8  )
       ( resid   2    and name H8  )  15.540 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   3    and name C8  )
       ( resid   3    and name H8  )  21.730 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   5    and name C5  )
!       ( resid   5    and name H5  )   8.900 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   5    and name C6  )
!       ( resid   5    and name H6  )   5.580 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   8    and name C5  )
       ( resid   8    and name H5  )  28.680 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   9    and name C2  )
       ( resid   9    and name H2  )  16.750 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   9    and name C8  )
       ( resid   9    and name H8  )  17.810 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  10    and name C6  )
       ( resid  10    and name H6  )  25.050 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  15    and name C8  )
       ( resid  15    and name H8  )  27.610 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  16    and name C5  )
       ( resid  16    and name H5  )  28.970 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  17    and name C2  )
       ( resid  17    and name H2  )  24.520 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  17    and name C8  )
       ( resid  17    and name H8  )  20.380 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  18    and name C5  )
       ( resid  18    and name H5  )  21.420 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  18    and name C6  )
       ( resid  18    and name H6  )  16.450 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  19    and name C5  )
       ( resid  19    and name H5  )  22.940 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  19    and name C6  )
       ( resid  19    and name H6  )  16.910 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C2  )
       ( resid  20    and name H2  )  19.620 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  20    and name C8  )
       ( resid  20    and name H8  )  21.400 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  21    and name C5  )
       ( resid  21    and name H5  )  -2.720 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  23    and name C8  )
       ( resid  23    and name H8  )  24.590 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  24    and name C5  )
       ( resid  24    and name H5  )  34.400 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  25    and name C2  )
       ( resid  25    and name H2  )  25.650 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  25    and name C8  )
       ( resid  25    and name H8  )  23.780 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  27    and name C6  )
       ( resid  27    and name H6  )  29.730 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  28    and name C5  )
       ( resid  28    and name H5  )  25.190 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  30    and name C5  )
       ( resid  30    and name H5  )  32.600 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  32    and name C5  )
       ( resid  32    and name H5  )  28.150 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  37    and name C5  )
       ( resid  37    and name H5  )  25.500 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   2    and name C1'  )
       ( resid   2    and name H1'  ) -12.380 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   6    and name C1'  )
!       ( resid   6    and name H1'  )  7.770 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   8    and name C1'  )
       ( resid   8    and name H1'  ) -28.440 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  11    and name C1'  )
       ( resid  11    and name H1'  ) -25.790 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  16    and name C1'  )
       ( resid  16    and name H1'  ) -24.890 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  19    and name C1'  )
       ( resid  19    and name H1'  ) -18.850 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  24    and name C1'  )
       ( resid  24    and name H1'  ) -35.890 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  27    and name C1'  )
       ( resid  27    and name H1'  ) -28.520 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  28    and name C1'  )
       ( resid  28    and name H1'  ) -30.000 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  29    and name C1'  )
       ( resid  29    and name H1'  ) -21.280 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  31    and name C1'  )
       ( resid  31    and name H1'  )  -5.740 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  32    and name C1'  )
       ( resid  32    and name H1'  ) -14.650 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  33    and name C1'  )
       ( resid  33    and name H1'  ) -32.300 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  34    and name C1'  )
       ( resid  34    and name H1'  ) -20.940 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  35    and name C1'  )
       ( resid  35    and name H1'  ) -22.630 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  37    and name C1'  )
       ( resid  37    and name H1'  ) -14.780 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   2    and name C2'  )
       ( resid   2    and name H2'  )   9.220 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   3    and name C2'  )
       ( resid   3    and name H2'  )  17.380 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   6    and name C2'  )
!       ( resid   6    and name H2'  )  -2.690 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  10    and name C2'  )
       ( resid  10    and name H2'  )  23.080 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  11    and name C2'  )
       ( resid  11    and name H2'  )  17.500 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  13    and name C2'  )
       ( resid  13    and name H2'  )   9.810 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  23    and name C2'  )
       ( resid  23    and name H2'  )  24.140 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  24    and name C2'  )
       ( resid  24    and name H2'  )  21.570 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  25    and name C2'  )
       ( resid  25    and name H2'  )  15.540 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  26    and name C2'  )
       ( resid  26    and name H2'  )  26.700 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  27    and name C2'  )
       ( resid  27    and name H2'  )  22.480 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  31    and name C2'  )
       ( resid  31    and name H2'  )  20.070 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  32    and name C2'  )
       ( resid  32    and name H2'  )  12.830 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  33    and name C2'  )
       ( resid  33    and name H2'  )   9.050 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  34    and name C2'  )
       ( resid  34    and name H2'  )  25.660 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  37    and name C2'  )
       ( resid  37    and name H2'  )  14.020 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   5    and name C3'  )
!       ( resid   5    and name H3'  )  -1.210 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   8    and name C3'  )
       ( resid   8    and name H3'  )  13.640 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  11    and name C3'  )
       ( resid  11    and name H3'  )  19.690 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  12    and name C3'  )
       ( resid  12    and name H3'  )  11.440 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  17    and name C3'  )
       ( resid  17    and name H3'  )  22.050 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  18    and name C3'  )
       ( resid  18    and name H3'  )  16.240 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  28    and name C3'  )
       ( resid  28    and name H3'  )   6.800 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  36    and name C3'  )
       ( resid  36    and name H3'  )  24.210 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  37    and name C3'  )
       ( resid  37    and name H3'  )  29.280 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   5    and name C4'  )
!       ( resid   5    and name H4'  )   6.930 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  21    and name C4'  )
       ( resid  21    and name H4'  ) -31.980 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   6    and name C2  )
!       ( resid   6    and name H2  )  30.930 1.5
!assign ( resid 500    and name OO  ) 
!       ( resid 500    and name Z   ) 
!       ( resid 500    and name X   ) 
!       ( resid 500    and name Y   ) 
!       ( resid   6    and name C8  )
!       ( resid   6    and name H8  )  18.220 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid   7    and name C8  )
       ( resid   7    and name H8  )  18.830 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  10    and name C5  )
       ( resid  10    and name H5  )  32.250 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  11    and name C5  )
       ( resid  11    and name H5  )  34.650 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  11    and name C6  )
       ( resid  11    and name H6  )  31.280 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  12    and name C5  )
       ( resid  12    and name H5  )  17.350 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  12    and name C6  )
       ( resid  12    and name H6  )  25.810 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  13    and name C5  )
       ( resid  13    and name H5  )  30.940 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  13    and name C6  )
       ( resid  13    and name H6  )  28.710 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  14    and name C8  )
       ( resid  14    and name H8  )  30.170 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  16    and name C6  )
       ( resid  16    and name H6  )  24.140 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  26    and name C6  )
       ( resid  26    and name H6  )  20.040 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  27    and name C5  )
       ( resid  27    and name H5  )  21.260 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  28    and name C6  )
       ( resid  28    and name H6  )  29.310 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  29    and name C5  )
       ( resid  29    and name H5  )  31.640 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  29    and name C6  )
       ( resid  29    and name H6  )  29.410 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  30    and name C6  )
       ( resid  30    and name H6  )  27.490 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  31    and name C8  )
       ( resid  31    and name H8  )  23.230 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  32    and name C6  )
       ( resid  32    and name H6  )  24.190 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  33    and name C8  )
       ( resid  33    and name H8  )  16.590 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  34    and name C6  )
       ( resid  34    and name H6  )  15.580 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  35    and name C8  )
       ( resid  35    and name H8  )  22.990 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  36    and name C5  )
       ( resid  36    and name H5  )  28.510 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  37    and name C6  )
       ( resid  37    and name H6  )  30.170 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C5  )
       ( resid  38    and name H5  )  25.360 1.5
assign ( resid 500    and name OO  ) 
       ( resid 500    and name Z   ) 
       ( resid 500    and name X   ) 
       ( resid 500    and name Y   ) 
       ( resid  38    and name C6  )
       ( resid  38    and name H6  )  27.180 1.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  39.014 -28.863  12.507
    2   2H5*    G   1          2H5*        G   1  38.555 -27.197  12.101
    3    H4*    G   1           H4*        G   1  38.576 -28.861  10.173
    4    H3*    G   1           H3*        G   1  36.187 -27.137  10.834
    5    H2*    G   1           H2*        G   1  34.863 -28.193   9.207
    6   2HO*    G   1          2HO*        G   1  36.396 -29.866   7.900
    7    H1*    G   1           H1*        G   1  35.751 -30.764   9.534
    8    H8     G   1           H8         G   1  35.491 -29.227  12.971
    9    H1     G   1           H1         G   1  29.831 -31.069  10.612
   10   1H2     G   1          1H2         G   1  30.034 -31.588   8.465
   11   2H2     G   1          2H2         G   1  31.555 -31.469   7.608
   12    H5T    G   1           H5T        G   1  37.561 -28.292  14.020
   13   1H5*    G   2          1H5*        G   2  35.894 -27.170   7.099
   14   2H5*    G   2          2H5*        G   2  35.950 -25.593   6.287
   15    H4*    G   2           H4*        G   2  33.946 -26.637   5.558
   16    H3*    G   2           H3*        G   2  33.281 -24.596   7.731
   17    H2*    G   2           H2*        G   2  31.012 -25.150   7.421
   18   2HO*    G   2          2HO*        G   2  31.204 -25.053   5.063
   19    H1*    G   2           H1*        G   2  31.377 -27.872   6.965
   20    H8     G   2           H8         G   2  33.330 -26.325   9.900
   21    H1     G   2           H1         G   2  27.472 -28.423  11.405
   22   1H2     G   2          1H2         G   2  26.398 -29.063   9.571
   23   2H2     G   2          2H2         G   2  27.123 -28.980   7.981
   24   1H5*    G   3          1H5*        G   3  31.043 -22.759   3.999
   25   2H5*    G   3          2H5*        G   3  30.948 -21.063   4.513
   26    H4*    G   3           H4*        G   3  28.750 -22.387   4.061
   27    H3*    G   3           H3*        G   3  29.239 -20.597   6.454
   28    H2*    G   3           H2*        G   3  27.105 -21.140   7.261
   29   2HO*    G   3          2HO*        G   3  25.768 -22.475   5.561
   30    H1*    G   3           H1*        G   3  27.009 -23.789   6.383
   31    H8     G   3           H8         G   3  30.311 -23.035   8.094
   32    H1     G   3           H1         G   3  25.541 -24.269  12.183
   33   1H2     G   3          1H2         G   3  23.607 -24.347  11.096
   34   2H2     G   3          2H2         G   3  23.491 -24.099   9.368
   35   1H5*    C   4          1H5*        C   4  25.836 -19.066   4.704
   36   2H5*    C   4          2H5*        C   4  25.679 -17.298   4.615
   37    H4*    C   4           H4*        C   4  23.896 -18.336   5.976
   38    H3*    C   4           H3*        C   4  25.862 -16.544   7.419
   39    H2*    C   4           H2*        C   4  24.748 -16.943   9.437
   40   2HO*    C   4          2HO*        C   4  22.685 -16.370   8.596
   41    H1*    C   4           H1*        C   4  23.838 -19.558   8.833
   42   1H4     C   4          1H4         C   4  28.357 -20.284  13.267
   43   2H4     C   4          2H4         C   4  29.598 -20.065  12.054
   44    H5     C   4           H5         C   4  29.121 -19.509   9.763
   45    H6     C   4           H6         C   4  27.353 -19.000   8.141
   46   1H5*    U   5          1H5*        U   5  22.580 -12.928   3.746
   47   2H5*    U   5          2H5*        U   5  23.251 -12.450   5.321
   48    H4*    U   5           H4*        U   5  20.852 -12.479   5.513
   49    H3*    U   5           H3*        U   5  22.360 -13.973   7.277
   50    H2*    U   5           H2*        U   5  22.033 -16.081   6.238
   51   2HO*    U   5          2HO*        U   5  21.108 -16.838   7.972
   52    H1*    U   5           H1*        U   5  19.161 -15.396   5.617
   53    H3     U   5           H3         U   5  20.292 -19.871   4.375
   54    H5     U   5           H5         U   5  20.698 -17.270   1.082
   55    H6     U   5           H6         U   5  20.523 -15.401   2.619
   56   1H5*    A   6          1H5*        A   6  18.123 -13.109   8.142
   57   2H5*    A   6          2H5*        A   6  17.700 -11.585   8.945
   58    H4*    A   6           H4*        A   6  16.050 -13.059   9.695
   59    H3*    A   6           H3*        A   6  18.246 -12.764  11.726
   60    H2*    A   6           H2*        A   6  17.466 -14.529  13.046
   61   2HO*    A   6          2HO*        A   6  15.025 -14.593  11.591
   62    H1*    A   6           H1*        A   6  16.635 -16.256  11.099
   63    H8     A   6           H8         A   6  19.627 -15.458   9.345
   64   1H6     A   6          1H6         A   6  23.045 -18.114  13.750
   65   2H6     A   6          2H6         A   6  23.030 -17.513  12.107
   66    H2     A   6           H2         A   6  18.918 -17.466  15.405
   67   1H5*    G   7          1H5*        G   7  19.064  -9.397  13.527
   68   2H5*    G   7          2H5*        G   7  20.135 -10.740  13.081
   69    H4*    G   7           H4*        G   7  17.502 -10.986  14.578
   70    H3*    G   7           H3*        G   7  20.364 -10.932  15.534
   71    H2*    G   7           H2*        G   7  19.948 -12.706  17.036
   72   2HO*    G   7          2HO*        G   7  17.970 -11.933  17.870
   73    H1*    G   7           H1*        G   7  18.421 -14.257  15.396
   74    H8     G   7           H8         G   7  20.500 -13.657  12.677
   75    H1     G   7           H1         G   7  24.222 -15.800  17.426
   76   1H2     G   7          1H2         G   7  23.151 -15.636  19.363
   77   2H2     G   7          2H2         G   7  21.525 -15.004  19.487
   78   1H5*    C   8          1H5*        C   8  19.184 -10.358  18.957
   79   2H5*    C   8          2H5*        C   8  19.373  -8.754  19.689
   80    H4*    C   8           H4*        C   8  20.535 -10.123  21.167
   81    H3*    C   8           H3*        C   8  22.574  -9.079  19.176
   82    H2*    C   8           H2*        C   8  24.209 -10.155  20.514
   83   2HO*    C   8          2HO*        C   8  23.234 -11.235  22.552
   84    H1*    C   8           H1*        C   8  22.725 -12.444  20.984
   85   1H4     C   8          1H4         C   8  26.713 -13.540  16.094
   86   2H4     C   8          2H4         C   8  25.419 -13.135  14.988
   87    H5     C   8           H5         C   8  23.279 -12.294  15.712
   88    H6     C   8           H6         C   8  21.932 -11.631  17.648
   89   1H5*    A   9          1H5*        A   9  24.576  -7.509  23.062
   90   2H5*    A   9          2H5*        A   9  25.520  -6.257  22.236
   91    H4*    A   9           H4*        A   9  26.717  -8.261  23.453
   92    H3*    A   9           H3*        A   9  27.542  -7.432  20.637
   93    H2*    A   9           H2*        A   9  29.494  -8.795  21.130
   94   2HO*    A   9          2HO*        A   9  28.689  -8.351  23.738
   95    H1*    A   9           H1*        A   9  27.903 -10.835  22.034
   96    H8     A   9           H8         A   9  25.906  -9.307  19.271
   97   1H6     A   9          1H6         A   9  29.686 -12.030  15.226
   98   2H6     A   9          2H6         A   9  28.209 -11.114  15.425
   99    H2     A   9           H2         A   9  31.455 -12.542  19.334
  100   1H5*    C  10          1H5*        C  10  30.729  -5.002  22.829
  101   2H5*    C  10          2H5*        C  10  31.403  -3.847  21.661
  102    H4*    C  10           H4*        C  10  32.873  -5.830  22.565
  103    H3*    C  10           H3*        C  10  32.737  -5.007  19.639
  104    H2*    C  10           H2*        C  10  34.501  -6.582  19.264
  105   2HO*    C  10          2HO*        C  10  34.572  -6.920  22.100
  106    H1*    C  10           H1*        C  10  33.276  -8.576  20.638
  107   1H4     C  10          1H4         C  10  31.028  -8.482  14.595
  108   2H4     C  10          2H4         C  10  29.509  -7.920  15.256
  109    H5     C  10           H5         C  10  29.221  -7.311  17.571
  110    H6     C  10           H6         C  10  30.333  -7.101  19.745
  111   1H5*    U  11          1H5*        U  11  36.486  -3.434  19.565
  112   2H5*    U  11          2H5*        U  11  36.358  -1.878  18.726
  113    H4*    U  11           H4*        U  11  37.517  -3.861  17.529
  114    H3*    U  11           H3*        U  11  35.355  -2.176  16.192
  115    H2*    U  11           H2*        U  11  35.804  -3.404  14.204
  116   2HO*    U  11          2HO*        U  11  37.638  -4.691  13.979
  117    H1*    U  11           H1*        U  11  36.094  -5.857  15.451
  118    H3     U  11           H3         U  11  32.274  -5.501  12.797
  119    H5     U  11           H5         U  11  31.147  -4.786  16.796
  120    H6     U  11           H6         U  11  33.502  -4.660  17.366
  121   1H5*    C  12          1H5*        C  12  38.531  -2.442  14.017
  122   2H5*    C  12          2H5*        C  12  39.522  -1.023  13.625
  123    H4*    C  12           H4*        C  12  39.533  -2.299  11.643
  124    H3*    C  12           H3*        C  12  37.384  -0.159  11.445
  125    H2*    C  12           H2*        C  12  36.824  -0.946   9.283
  126   2HO*    C  12          2HO*        C  12  38.443  -2.852   8.639
  127    H1*    C  12           H1*        C  12  37.084  -3.635   9.828
  128   1H4     C  12          1H4         C  12  30.867  -2.406  10.438
  129   2H4     C  12          2H4         C  12  31.135  -1.623  11.978
  130    H5     C  12           H5         C  12  33.333  -1.307  12.933
  131    H6     C  12           H6         C  12  35.740  -1.638  12.590
  132   1H5*    U  13          1H5*        U  13  38.197   3.228   7.990
  133   2H5*    U  13          2H5*        U  13  36.661   2.701   8.712
  134    H4*    U  13           H4*        U  13  37.827   1.941   6.026
  135    H3*    U  13           H3*        U  13  35.364   3.435   6.915
  136    H2*    U  13           H2*        U  13  34.089   2.448   5.200
  137   2HO*    U  13          2HO*        U  13  35.317   2.681   3.413
  138    H1*    U  13           H1*        U  13  35.180  -0.076   5.280
  139    H3     U  13           H3         U  13  30.846  -0.194   6.839
  140    H5     U  13           H5         U  13  33.271   0.594  10.196
  141    H6     U  13           H6         U  13  35.142   0.923   8.684
  142   1H5*    G  14          1H5*        G  14  36.567   6.044   2.981
  143   2H5*    G  14          2H5*        G  14  35.798   7.582   3.423
  144    H4*    G  14           H4*        G  14  34.987   6.328   1.289
  145    H3*    G  14           H3*        G  14  33.136   7.478   3.405
  146    H2*    G  14           H2*        G  14  31.280   6.720   2.130
  147   2HO*    G  14          2HO*        G  14  31.669   7.098   0.044
  148    H1*    G  14           H1*        G  14  32.269   4.245   1.580
  149    H8     G  14           H8         G  14  33.619   4.866   4.990
  150    H1     G  14           H1         G  14  27.330   3.671   5.105
  151   1H2     G  14          1H2         G  14  26.500   3.760   3.047
  152   2H2     G  14          2H2         G  14  27.491   4.108   1.648
  153   1H5*    G  15          1H5*        G  15  32.213  10.180   0.010
  154   2H5*    G  15          2H5*        G  15  31.358  11.599   0.646
  155    H4*    G  15           H4*        G  15  30.030   9.718  -0.613
  156    H3*    G  15           H3*        G  15  29.114  11.041   1.962
  157    H2*    G  15           H2*        G  15  27.116   9.758   1.773
  158   2HO*    G  15          2HO*        G  15  27.712   8.429  -0.563
  159    H1*    G  15           H1*        G  15  28.355   7.408   1.125
  160    H8     G  15           H8         G  15  30.860   8.424   3.507
  161    H1     G  15           H1         G  15  25.249   7.651   6.496
  162   1H2     G  15          1H2         G  15  23.601   7.563   5.007
  163   2H2     G  15          2H2         G  15  23.883   7.693   3.285
  164   1H5*    U  16          1H5*        U  16  26.560  11.967  -0.567
  165   2H5*    U  16          2H5*        U  16  25.880  13.514  -1.110
  166    H4*    U  16           H4*        U  16  24.060  12.396  -0.132
  167    H3*    U  16           H3*        U  16  25.263  14.228   1.987
  168    H2*    U  16           H2*        U  16  23.476  13.566   3.407
  169   2HO*    U  16          2HO*        U  16  22.275  12.671   0.993
  170    H1*    U  16           H1*        U  16  23.501  10.903   2.651
  171    H3     U  16           H3         U  16  24.846  11.412   7.031
  172    H5     U  16           H5         U  16  28.327  11.824   4.688
  173    H6     U  16           H6         U  16  26.914  11.846   2.714
  174   1H5*    A  17          1H5*        A  17  21.415  16.674   1.440
  175   2H5*    A  17          2H5*        A  17  21.897  18.250   2.097
  176    H4*    A  17           H4*        A  17  20.148  16.748   3.375
  177    H3*    A  17           H3*        A  17  22.440  18.238   4.750
  178    H2*    A  17           H2*        A  17  21.586  17.395   6.804
  179   2HO*    A  17          2HO*        A  17  19.539  16.691   7.066
  180    H1*    A  17           H1*        A  17  20.969  14.872   5.878
  181    H8     A  17           H8         A  17  24.298  15.541   4.356
  182   1H6     A  17          1H6         A  17  26.812  14.600   9.932
  183   2H6     A  17          2H6         A  17  27.144  14.821   8.230
  184    H2     A  17           H2         A  17  22.358  14.859  10.442
  185   1H5*    U  18          1H5*        U  18  21.549  22.539   6.764
  186   2H5*    U  18          2H5*        U  18  23.159  21.841   7.021
  187    H4*    U  18           H4*        U  18  20.635  21.456   8.602
  188    H3*    U  18           H3*        U  18  23.495  22.213   9.229
  189    H2*    U  18           H2*        U  18  23.632  20.834  11.087
  190   2HO*    U  18          2HO*        U  18  21.444  21.682  11.768
  191    H1*    U  18           H1*        U  18  22.131  18.710  10.293
  192    H3     U  18           H3         U  18  26.583  17.655  10.607
  193    H5     U  18           H5         U  18  25.823  18.567   6.560
  194    H6     U  18           H6         U  18  23.674  19.477   7.244
  195   1H5*    U  19          1H5*        U  19  25.390  25.258  10.569
  196   2H5*    U  19          2H5*        U  19  24.963  23.602  10.094
  197    H4*    U  19           H4*        U  19  24.633  24.130  12.974
  198    H3*    U  19           H3*        U  19  27.379  24.425  11.720
  199    H2*    U  19           H2*        U  19  28.299  23.203  13.518
  200   2HO*    U  19          2HO*        U  19  27.011  22.711  15.388
  201    H1*    U  19           H1*        U  19  26.291  21.330  13.714
  202    H3     U  19           H3         U  19  30.258  19.531  12.051
  203    H5     U  19           H5         U  19  27.913  20.654   8.734
  204    H6     U  19           H6         U  19  26.416  21.801  10.258
  205   1H5*    A  20          1H5*        A  20  29.484  28.164  14.972
  206   2H5*    A  20          2H5*        A  20  30.604  26.825  14.648
  207    H4*    A  20           H4*        A  20  30.516  27.802  17.043
  208    H3*    A  20           H3*        A  20  31.103  25.151  16.179
  209    H2*    A  20           H2*        A  20  29.152  24.159  16.996
  210   2HO*    A  20          2HO*        A  20  29.913  24.318  19.615
  211    H1*    A  20           H1*        A  20  29.025  26.149  19.270
  212    H8     A  20           H8         A  20  26.954  24.429  16.464
  213   1H6     A  20          1H6         A  20  22.429  24.277  20.645
  214   2H6     A  20          2H6         A  20  22.926  23.799  19.037
  215    H2     A  20           H2         A  20  25.931  26.427  22.482
  216   1H5*    C  21          1H5*        C  21  34.215  22.249  18.916
  217   2H5*    C  21          2H5*        C  21  34.822  23.192  17.545
  218    H4*    C  21           H4*        C  21  32.894  20.905  17.593
  219    H3*    C  21           H3*        C  21  35.218  21.560  15.805
  220    H2*    C  21           H2*        C  21  34.063  20.972  13.920
  221   2HO*    C  21          2HO*        C  21  33.205  19.021  13.728
  222    H1*    C  21           H1*        C  21  31.437  20.729  15.228
  223   1H4     C  21          1H4         C  21  31.526  24.241   9.700
  224   2H4     C  21          2H4         C  21  30.312  25.120  10.599
  225    H5     C  21           H5         C  21  29.839  24.717  12.922
  226    H6     C  21           H6         C  21  30.414  23.366  14.884
  227   1H5*    G  22          1H5*        G  22  34.360  17.163  18.361
  228   2H5*    G  22          2H5*        G  22  33.529  18.674  17.944
  229    H4*    G  22           H4*        G  22  33.866  17.680  20.789
  230    H3*    G  22           H3*        G  22  31.684  17.091  18.784
  231    H2*    G  22           H2*        G  22  30.029  17.603  20.326
  232   2HO*    G  22          2HO*        G  22  30.130  16.774  22.251
  233    H1*    G  22           H1*        G  22  31.520  19.367  21.985
  234    H8     G  22           H8         G  22  29.968  21.405  21.925
  235    H1     G  22           H1         G  22  28.546  20.580  15.738
  236   1H2     G  22          1H2         G  22  29.659  18.853  14.921
  237   2H2     G  22          2H2         G  22  30.763  17.900  15.887
  238   1H5*    G  23          1H5*        G  23  30.798  12.449  18.163
  239   2H5*    G  23          2H5*        G  23  31.471  13.830  17.275
  240    H4*    G  23           H4*        G  23  30.010  14.406  19.815
  241    H3*    G  23           H3*        G  23  28.640  13.320  17.372
  242    H2*    G  23           H2*        G  23  27.012  15.007  17.480
  243   2HO*    G  23          2HO*        G  23  26.363  15.855  19.308
  244    H1*    G  23           H1*        G  23  28.629  17.104  18.181
  245    H8     G  23           H8         G  23  30.889  15.547  15.806
  246    H1     G  23           H1         G  23  25.739  17.842  12.783
  247   1H2     G  23          1H2         G  23  24.127  18.276  14.252
  248   2H2     G  23          2H2         G  23  24.325  18.004  15.969
  249   1H5*    U  24          1H5*        U  24  25.010  12.328  19.578
  250   2H5*    U  24          2H5*        U  24  24.666  10.798  18.753
  251    H4*    U  24           H4*        U  24  23.154  12.895  18.329
  252    H3*    U  24           H3*        U  24  24.105  11.087  16.044
  253    H2*    U  24           H2*        U  24  22.714  12.434  14.673
  254   2HO*    U  24          2HO*        U  24  21.086  12.479  16.589
  255    H1*    U  24           H1*        U  24  23.368  14.848  15.852
  256    H3     U  24           H3         U  24  24.935  14.289  11.489
  257    H5     U  24           H5         U  24  28.099  13.364  14.116
  258    H6     U  24           H6         U  24  26.502  13.394  15.945
  259   1H5*    A  25          1H5*        A  25  20.041   9.321  16.574
  260   2H5*    A  25          2H5*        A  25  20.111   7.683  15.895
  261    H4*    A  25           H4*        A  25  18.968   9.545  14.512
  262    H3*    A  25           H3*        A  25  21.089   7.719  13.358
  263    H2*    A  25           H2*        A  25  20.656   8.725  11.265
  264   2HO*    A  25          2HO*        A  25  18.819   9.988  10.886
  265    H1*    A  25           H1*        A  25  20.315  11.311  12.247
  266    H8     A  25           H8         A  25  23.349  10.234  14.027
  267   1H6     A  25          1H6         A  25  26.521  10.899   8.762
  268   2H6     A  25          2H6         A  25  26.640  10.676  10.492
  269    H2     A  25           H2         A  25  22.140  11.046   7.768
  270   1H5*    C  26          1H5*        C  26  17.526   6.099  11.064
  271   2H5*    C  26          2H5*        C  26  18.039   4.440  10.711
  272    H4*    C  26           H4*        C  26  17.686   6.110   8.749
  273    H3*    C  26           H3*        C  26  20.123   4.328   9.012
  274    H2*    C  26           H2*        C  26  20.783   5.134   6.886
  275   2HO*    C  26          2HO*        C  26  19.380   5.739   5.424
  276    H1*    C  26           H1*        C  26  20.080   7.770   7.337
  277   1H4     C  26          1H4         C  26  26.326   7.189   8.588
  278   2H4     C  26          2H4         C  26  25.946   6.883  10.269
  279    H5     C  26           H5         C  26  23.692   6.633  11.088
  280    H6     C  26           H6         C  26  21.318   6.602  10.468
  281   1H5*    C  27          1H5*        C  27  18.366   2.956   5.548
  282   2H5*    C  27          2H5*        C  27  18.430   1.201   5.314
  283    H4*    C  27           H4*        C  27  19.606   2.447   3.525
  284    H3*    C  27           H3*        C  27  21.480   0.814   5.304
  285    H2*    C  27           H2*        C  27  23.135   1.303   3.634
  286   2HO*    C  27          2HO*        C  27  22.641   1.946   1.626
  287    H1*    C  27           H1*        C  27  22.369   3.947   3.405
  288   1H4     C  27          1H4         C  27  27.254   3.552   7.532
  289   2H4     C  27          2H4         C  27  26.116   3.361   8.847
  290    H5     C  27           H5         C  27  23.732   3.193   8.515
  291    H6     C  27           H6         C  27  21.935   3.104   6.847
  292   1H5*    U  28          1H5*        U  28  23.345  -3.292   3.412
  293   2H5*    U  28          2H5*        U  28  23.574  -2.582   5.021
  294    H4*    U  28           H4*        U  28  25.167  -1.967   2.509
  295    H3*    U  28           H3*        U  28  25.835  -3.441   5.076
  296    H2*    U  28           H2*        U  28  28.042  -2.612   4.927
  297   2HO*    U  28          2HO*        U  28  27.411  -1.830   2.255
  298    H1*    U  28           H1*        U  28  27.394  -0.076   4.058
  299    H3     U  28           H3         U  28  29.078   0.137   8.320
  300    H5     U  28           H5         U  28  24.960  -0.643   8.766
  301    H6     U  28           H6         U  28  24.834  -0.993   6.366
  302   1H5*    U  29          1H5*        U  29  28.750  -5.161   1.353
  303   2H5*    U  29          2H5*        U  29  28.967  -6.760   2.093
  304    H4*    U  29           H4*        U  29  31.061  -5.471   1.249
  305    H3*    U  29           H3*        U  29  30.815  -6.906   3.881
  306    H2*    U  29           H2*        U  29  32.931  -6.145   4.569
  307   2HO*    U  29          2HO*        U  29  34.256  -4.967   2.912
  308    H1*    U  29           H1*        U  29  32.784  -3.592   3.595
  309    H3     U  29           H3         U  29  32.486  -3.369   8.163
  310    H5     U  29           H5         U  29  28.550  -4.050   6.815
  311    H6     U  29           H6         U  29  29.449  -4.438   4.593
  312   1H5*    U  30          1H5*        U  30  33.472 -10.377   4.843
  313   2H5*    U  30          2H5*        U  30  32.801  -9.117   5.899
  314    H4*    U  30           H4*        U  30  35.705  -9.388   5.040
  315    H3*    U  30           H3*        U  30  34.255 -10.116   7.574
  316    H2*    U  30           H2*        U  30  35.954  -9.200   8.914
  317   2HO*    U  30          2HO*        U  30  37.514  -9.566   6.602
  318    H1*    U  30           H1*        U  30  36.536  -6.984   7.414
  319    H3     U  30           H3         U  30  34.246  -6.136  11.414
  320    H5     U  30           H5         U  30  31.443  -6.059   8.266
  321    H6     U  30           H6         U  30  33.145  -6.996   6.813
  322   1H5*    G  31          1H5*        G  31  37.477 -13.350   7.558
  323   2H5*    G  31          2H5*        G  31  36.773 -14.761   8.371
  324    H4*    G  31           H4*        G  31  38.598 -13.471   9.632
  325    H3*    G  31           H3*        G  31  35.902 -14.130  10.825
  326    H2*    G  31           H2*        G  31  36.542 -13.065  12.833
  327   2HO*    G  31          2HO*        G  31  39.005 -12.264  12.579
  328    H1*    G  31           H1*        G  31  37.854 -10.926  11.700
  329    H8     G  31           H8         G  31  34.881 -11.283   9.508
  330    H1     G  31           H1         G  31  33.322  -8.944  15.264
  331   1H2     G  31          1H2         G  31  35.015  -9.205  16.676
  332   2H2     G  31          2H2         G  31  36.527  -9.948  16.203
  333   1H5*    U  32          1H5*        U  32  38.436 -16.532  13.675
  334   2H5*    U  32          2H5*        U  32  37.384 -17.900  14.090
  335    H4*    U  32           H4*        U  32  38.074 -16.169  15.934
  336    H3*    U  32           H3*        U  32  35.285 -17.289  15.555
  337    H2*    U  32           H2*        U  32  34.592 -15.995  17.401
  338   2HO*    U  32          2HO*        U  32  36.232 -16.512  18.835
  339    H1*    U  32           H1*        U  32  36.145 -13.755  16.872
  340    H3     U  32           H3         U  32  31.597 -12.912  16.539
  341    H5     U  32           H5         U  32  32.941 -13.950  12.680
  342    H6     U  32           H6         U  32  35.047 -14.639  13.671
  343   1H5*    G  33          1H5*        G  33  33.946 -20.317  19.466
  344   2H5*    G  33          2H5*        G  33  33.285 -19.138  18.317
  345    H4*    G  33           H4*        G  33  34.126 -18.555  21.178
  346    H3*    G  33           H3*        G  33  31.330 -18.987  19.967
  347    H2*    G  33           H2*        G  33  30.514 -17.248  21.361
  348   2HO*    G  33          2HO*        G  33  32.048 -18.064  23.144
  349    H1*    G  33           H1*        G  33  32.490 -15.476  20.914
  350    H8     G  33           H8         G  33  32.548 -17.047  17.605
  351    H1     G  33           H1         G  33  27.100 -13.796  18.467
  352   1H2     G  33          1H2         G  33  26.853 -13.275  20.611
  353   2H2     G  33          2H2         G  33  28.029 -13.721  21.827
  354   1H5*    C  34          1H5*        C  34  29.771 -18.696  23.705
  355   2H5*    C  34          2H5*        C  34  29.046 -20.290  23.993
  356    H4*    C  34           H4*        C  34  27.391 -18.507  24.314
  357    H3*    C  34           H3*        C  34  26.948 -20.283  21.892
  358    H2*    C  34           H2*        C  34  24.995 -19.085  21.399
  359   2HO*    C  34          2HO*        C  34  23.820 -18.929  23.178
  360    H1*    C  34           H1*        C  34  25.899 -16.582  22.280
  361   1H4     C  34          1H4         C  34  26.004 -16.470  15.906
  362   2H4     C  34          2H4         C  34  27.560 -17.269  15.908
  363    H5     C  34           H5         C  34  28.630 -18.072  17.919
  364    H6     C  34           H6         C  34  28.424 -18.295  20.353
  365   1H5*    G  35          1H5*        G  35  23.295 -22.120  23.109
  366   2H5*    G  35          2H5*        G  35  23.630 -23.681  22.337
  367    H4*    G  35           H4*        G  35  22.000 -21.840  21.258
  368    H3*    G  35           H3*        G  35  23.876 -23.683  19.745
  369    H2*    G  35           H2*        G  35  23.070 -22.726  17.749
  370   2HO*    G  35          2HO*        G  35  20.828 -22.175  19.317
  371    H1*    G  35           H1*        G  35  22.813 -20.124  18.749
  372    H8     G  35           H8         G  35  26.186 -21.133  19.848
  373    H1     G  35           H1         G  35  25.947 -20.260  13.511
  374   1H2     G  35          1H2         G  35  23.841 -20.133  12.841
  375   2H2     G  35          2H2         G  35  22.493 -20.268  13.947
  376   1H5*    C  36          1H5*        C  36  19.578 -25.550  18.634
  377   2H5*    C  36          2H5*        C  36  20.092 -27.196  18.211
  378    H4*    C  36           H4*        C  36  18.827 -25.744  16.447
  379    H3*    C  36           H3*        C  36  21.303 -27.401  15.882
  380    H2*    C  36           H2*        C  36  21.165 -26.725  13.607
  381   2HO*    C  36          2HO*        C  36  19.215 -25.197  13.191
  382    H1*    C  36           H1*        C  36  20.721 -24.089  14.108
  383   1H4     C  36          1H4         C  36  27.076 -24.837  13.974
  384   2H4     C  36          2H4         C  36  27.071 -25.056  15.710
  385    H5     C  36           H5         C  36  25.048 -25.192  17.018
  386    H6     C  36           H6         C  36  22.599 -25.160  16.939
  387   1H5*    C  37          1H5*        C  37  18.791 -30.250  13.601
  388   2H5*    C  37          2H5*        C  37  19.687 -31.761  13.861
  389    H4*    C  37           H4*        C  37  19.775 -30.534  11.528
  390    H3*    C  37           H3*        C  37  22.244 -31.703  12.909
  391    H2*    C  37           H2*        C  37  23.457 -31.078  10.960
  392   2HO*    C  37          2HO*        C  37  21.586 -30.045   9.348
  393    H1*    C  37           H1*        C  37  22.184 -28.643  10.610
  394   1H4     C  37          1H4         C  37  27.774 -28.004  13.784
  395   2H4     C  37          2H4         C  37  26.849 -27.845  15.260
  396    H5     C  37           H5         C  37  24.454 -28.050  15.344
  397    H6     C  37           H6         C  37  22.436 -28.605  14.066
  398   1H5*    C  38          1H5*        C  38  22.349 -32.245   8.062
  399   2H5*    C  38          2H5*        C  38  21.765 -33.891   8.390
  400    H4*    C  38           H4*        C  38  23.440 -33.974   6.639
  401    H3*    C  38           H3*        C  38  24.136 -35.155   9.306
  402    H2*    C  38           H2*        C  38  26.373 -35.486   8.774
  403   2HO*    C  38          2HO*        C  38  26.892 -36.204   6.874
  404    H1*    C  38           H1*        C  38  26.826 -33.266   7.216
  405   1H4     C  38          1H4         C  38  28.891 -31.275  12.875
  406   2H4     C  38          2H4         C  38  27.286 -31.388  13.562
  407    H5     C  38           H5         C  38  25.378 -32.205  12.333
  408    H6     C  38           H6         C  38  24.601 -33.083  10.179
  409    H3T    C  38           H3T        C  38  24.268 -36.413   6.795
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  37.971 -26.856   8.983
    2   2H5*    G   1          2H5*        G   1  36.563 -27.280   9.978
    3    H4*    G   1           H4*        G   1  37.101 -27.999   7.084
    4    H3*    G   1           H3*        G   1  35.029 -26.320   8.502
    5    H2*    G   1           H2*        G   1  33.321 -27.100   7.096
    6   2HO*    G   1          2HO*        G   1  34.540 -28.612   5.279
    7    H1*    G   1           H1*        G   1  34.124 -29.715   6.857
    8    H8     G   1           H8         G   1  34.636 -28.535  10.434
    9    H1     G   1           H1         G   1  28.618 -30.312   9.159
   10   1H2     G   1          1H2         G   1  28.365 -30.635   6.978
   11   2H2     G   1          2H2         G   1  29.670 -30.404   5.836
   12    H5T    G   1           H5T        G   1  38.845 -28.663   9.525
   13   1H5*    G   2          1H5*        G   2  33.719 -26.228   4.701
   14   2H5*    G   2          2H5*        G   2  33.566 -24.534   4.196
   15    H4*    G   2           H4*        G   2  31.459 -25.705   3.849
   16    H3*    G   2           H3*        G   2  31.393 -23.697   6.129
   17    H2*    G   2           H2*        G   2  29.118 -24.204   6.433
   18   2HO*    G   2          2HO*        G   2  28.277 -25.734   4.552
   19    H1*    G   2           H1*        G   2  29.286 -26.921   5.741
   20    H8     G   2           H8         G   2  31.788 -25.449   8.286
   21    H1     G   2           H1         G   2  26.451 -27.882  10.853
   22   1H2     G   2          1H2         G   2  25.043 -28.488   9.249
   23   2H2     G   2          2H2         G   2  25.417 -28.302   7.550
   24   1H5*    G   3          1H5*        G   3  28.347 -21.594   3.201
   25   2H5*    G   3          2H5*        G   3  28.408 -19.956   3.879
   26    H4*    G   3           H4*        G   3  26.178 -21.346   3.949
   27    H3*    G   3           H3*        G   3  27.255 -19.680   6.253
   28    H2*    G   3           H2*        G   3  25.395 -20.336   7.520
   29   2HO*    G   3          2HO*        G   3  23.976 -21.542   5.453
   30    H1*    G   3           H1*        G   3  25.105 -22.913   6.434
   31    H8     G   3           H8         G   3  28.672 -22.192   7.522
   32    H1     G   3           H1         G   3  24.845 -24.010  12.323
   33   1H2     G   3          1H2         G   3  22.734 -24.065  11.636
   34   2H2     G   3          2H2         G   3  22.269 -23.660   9.999
   35   1H5*    C   4          1H5*        C   4  23.321 -17.902   5.611
   36   2H5*    C   4          2H5*        C   4  23.412 -16.161   5.953
   37    H4*    C   4           H4*        C   4  21.875 -17.559   7.442
   38    H3*    C   4           H3*        C   4  24.107 -15.886   8.600
   39    H2*    C   4           H2*        C   4  23.480 -16.524  10.773
   40   2HO*    C   4          2HO*        C   4  21.285 -17.658  10.919
   41    H1*    C   4           H1*        C   4  22.461 -19.076  10.032
   42   1H4     C   4          1H4         C   4  27.783 -20.198  13.359
   43   2H4     C   4          2H4         C   4  28.750 -19.832  11.948
   44    H5     C   4           H5         C   4  27.815 -19.036   9.878
   45    H6     C   4           H6         C   4  25.756 -18.378   8.721
   46   1H5*    U   5          1H5*        U   5  19.562 -16.642   6.248
   47   2H5*    U   5          2H5*        U   5  19.779 -15.312   5.090
   48    H4*    U   5           H4*        U   5  17.682 -14.424   5.514
   49    H3*    U   5           H3*        U   5  18.069 -14.608   8.180
   50    H2*    U   5           H2*        U   5  17.886 -16.980   8.354
   51   2HO*    U   5          2HO*        U   5  15.136 -16.693   8.497
   52    H1*    U   5           H1*        U   5  15.473 -17.044   6.566
   53    H3     U   5           H3         U   5  16.272 -21.438   7.914
   54    H5     U   5           H5         U   5  18.863 -20.591   4.699
   55    H6     U   5           H6         U   5  18.259 -18.251   4.913
   56   1H5*    A   6          1H5*        A   6  14.652 -14.056  10.369
   57   2H5*    A   6          2H5*        A   6  14.445 -12.305  10.183
   58    H4*    A   6           H4*        A   6  14.668 -12.484  12.474
   59    H3*    A   6           H3*        A   6  16.883 -11.301  11.280
   60    H2*    A   6           H2*        A   6  18.354 -13.132  11.433
   61   2HO*    A   6          2HO*        A   6  19.690 -12.239  12.780
   62    H1*    A   6           H1*        A   6  17.213 -13.983  14.088
   63    H8     A   6           H8         A   6  18.104 -15.274  10.511
   64   1H6     A   6          1H6         A   6  20.180 -20.292  13.451
   65   2H6     A   6          2H6         A   6  19.981 -19.516  11.896
   66    H2     A   6           H2         A   6  18.469 -17.498  16.525
   67   1H5*    G   7          1H5*        G   7  19.787 -10.300  15.789
   68   2H5*    G   7          2H5*        G   7  19.233 -11.517  14.621
   69    H4*    G   7           H4*        G   7  17.665 -11.678  17.049
   70    H3*    G   7           H3*        G   7  20.649 -11.620  17.505
   71    H2*    G   7           H2*        G   7  20.486 -13.538  18.874
   72   2HO*    G   7          2HO*        G   7  18.279 -12.555  19.676
   73    H1*    G   7           H1*        G   7  18.749 -14.963  17.339
   74    H8     G   7           H8         G   7  20.362 -14.035  14.404
   75    H1     G   7           H1         G   7  24.820 -16.514  18.273
   76   1H2     G   7          1H2         G   7  24.066 -16.576  20.360
   77   2H2     G   7          2H2         G   7  22.469 -16.012  20.799
   78   1H5*    C   8          1H5*        C   8  19.924 -11.332  21.111
   79   2H5*    C   8          2H5*        C   8  20.180  -9.801  21.970
   80    H4*    C   8           H4*        C   8  21.530 -11.275  23.156
   81    H3*    C   8           H3*        C   8  23.267  -9.959  21.047
   82    H2*    C   8           H2*        C   8  25.095 -11.120  22.007
   83   2HO*    C   8          2HO*        C   8  23.660 -12.267  24.100
   84    H1*    C   8           H1*        C   8  23.761 -13.505  22.406
   85   1H4     C   8          1H4         C   8  26.947 -13.837  16.859
   86   2H4     C   8          2H4         C   8  25.483 -13.365  16.026
   87    H5     C   8           H5         C   8  23.463 -12.716  17.169
   88    H6     C   8           H6         C   8  22.424 -12.347  19.358
   89   1H5*    A   9          1H5*        A   9  25.662  -8.560  24.708
   90   2H5*    A   9          2H5*        A   9  26.472  -7.210  23.893
   91    H4*    A   9           H4*        A   9  27.848  -9.283  24.751
   92    H3*    A   9           H3*        A   9  28.287  -8.157  21.946
   93    H2*    A   9           H2*        A   9  30.306  -9.507  22.039
   94   2HO*    A   9          2HO*        A   9  30.848  -9.173  24.261
   95    H1*    A   9           H1*        A   9  28.885 -11.675  22.918
   96    H8     A   9           H8         A   9  26.485  -9.945  20.644
   97   1H6     A   9          1H6         A   9  29.727 -12.053  15.836
   98   2H6     A   9          2H6         A   9  28.269 -11.228  16.339
   99    H2     A   9           H2         A   9  32.075 -12.924  19.577
  100   1H5*    C  10          1H5*        C  10  31.700  -5.858  23.984
  101   2H5*    C  10          2H5*        C  10  32.187  -4.570  22.865
  102    H4*    C  10           H4*        C  10  33.832  -6.547  23.398
  103    H3*    C  10           H3*        C  10  33.310  -5.454  20.608
  104    H2*    C  10           H2*        C  10  35.052  -6.910  19.851
  105   2HO*    C  10          2HO*        C  10  35.499  -7.539  22.601
  106    H1*    C  10           H1*        C  10  34.075  -9.084  21.138
  107   1H4     C  10          1H4         C  10  31.011  -8.424  15.501
  108   2H4     C  10          2H4         C  10  29.584  -7.999  16.420
  109    H5     C  10           H5         C  10  29.604  -7.658  18.807
  110    H6     C  10           H6         C  10  30.998  -7.640  20.822
  111   1H5*    U  11          1H5*        U  11  37.207  -4.521  19.818
  112   2H5*    U  11          2H5*        U  11  37.075  -2.830  19.307
  113    H4*    U  11           H4*        U  11  37.915  -4.561  17.597
  114    H3*    U  11           H3*        U  11  35.608  -2.687  16.990
  115    H2*    U  11           H2*        U  11  35.701  -3.487  14.735
  116   2HO*    U  11          2HO*        U  11  37.431  -4.730  13.989
  117    H1*    U  11           H1*        U  11  36.110  -6.127  15.457
  118    H3     U  11           H3         U  11  31.927  -5.378  13.570
  119    H5     U  11           H5         U  11  31.477  -5.213  17.758
  120    H6     U  11           H6         U  11  33.895  -5.198  17.949
  121   1H5*    C  12          1H5*        C  12  39.552  -0.539  14.105
  122   2H5*    C  12          2H5*        C  12  37.839  -0.944  14.331
  123    H4*    C  12           H4*        C  12  39.599  -1.827  12.011
  124    H3*    C  12           H3*        C  12  37.408   0.272  12.221
  125    H2*    C  12           H2*        C  12  36.728  -0.263  10.016
  126   2HO*    C  12          2HO*        C  12  39.350  -1.219   9.807
  127    H1*    C  12           H1*        C  12  37.096  -2.994  10.221
  128   1H4     C  12          1H4         C  12  30.881  -2.059  11.236
  129   2H4     C  12          2H4         C  12  31.198  -1.450  12.846
  130    H5     C  12           H5         C  12  33.428  -1.169  13.736
  131    H6     C  12           H6         C  12  35.824  -1.375  13.252
  132   1H5*    U  13          1H5*        U  13  38.078   3.811   8.853
  133   2H5*    U  13          2H5*        U  13  36.441   3.164   9.096
  134    H4*    U  13           H4*        U  13  38.356   2.566   6.826
  135    H3*    U  13           H3*        U  13  35.733   4.030   7.019
  136    H2*    U  13           H2*        U  13  35.004   3.107   4.982
  137   2HO*    U  13          2HO*        U  13  37.193   1.755   4.142
  138    H1*    U  13           H1*        U  13  36.058   0.580   5.270
  139    H3     U  13           H3         U  13  31.443   0.482   5.506
  140    H5     U  13           H5         U  13  32.829   0.961   9.458
  141    H6     U  13           H6         U  13  35.051   1.353   8.562
  142   1H5*    G  14          1H5*        G  14  37.810   7.061   3.854
  143   2H5*    G  14          2H5*        G  14  36.909   8.511   4.344
  144    H4*    G  14           H4*        G  14  36.546   7.545   1.953
  145    H3*    G  14           H3*        G  14  34.334   8.411   3.835
  146    H2*    G  14           H2*        G  14  32.714   7.758   2.229
  147   2HO*    G  14          2HO*        G  14  33.319   8.301   0.255
  148    H1*    G  14           H1*        G  14  33.835   5.376   1.572
  149    H8     G  14           H8         G  14  34.713   5.711   5.186
  150    H1     G  14           H1         G  14  28.539   4.248   4.336
  151   1H2     G  14          1H2         G  14  27.984   4.495   2.200
  152   2H2     G  14          2H2         G  14  29.131   5.014   0.984
  153   1H5*    G  15          1H5*        G  15  33.604  11.255   0.511
  154   2H5*    G  15          2H5*        G  15  32.643  12.585   1.189
  155    H4*    G  15           H4*        G  15  31.529  10.850  -0.438
  156    H3*    G  15           H3*        G  15  30.255  11.864   2.135
  157    H2*    G  15           H2*        G  15  28.327  10.590   1.536
  158   2HO*    G  15          2HO*        G  15  29.538   9.878  -0.933
  159    H1*    G  15           H1*        G  15  29.694   8.338   0.841
  160    H8     G  15           H8         G  15  31.858   9.289   3.607
  161    H1     G  15           H1         G  15  26.016   7.810   5.772
  162   1H2     G  15          1H2         G  15  24.575   7.739   4.080
  163   2H2     G  15          2H2         G  15  25.052   8.051   2.427
  164   1H5*    U  16          1H5*        U  16  27.951  12.798  -0.503
  165   2H5*    U  16          2H5*        U  16  27.262  14.334  -1.065
  166    H4*    U  16           H4*        U  16  25.373  13.089  -0.494
  167    H3*    U  16           H3*        U  16  26.130  14.713   1.979
  168    H2*    U  16           H2*        U  16  24.163  13.840   3.006
  169   2HO*    U  16          2HO*        U  16  22.505  12.957   1.885
  170    H1*    U  16           H1*        U  16  24.483  11.278   2.041
  171    H3     U  16           H3         U  16  25.192  11.342   6.578
  172    H5     U  16           H5         U  16  28.897  12.351   4.837
  173    H6     U  16           H6         U  16  27.775  12.485   2.688
  174   1H5*    A  17          1H5*        A  17  22.299  17.068   1.130
  175   2H5*    A  17          2H5*        A  17  22.565  18.561   2.052
  176    H4*    A  17           H4*        A  17  20.755  16.813   2.835
  177    H3*    A  17           H3*        A  17  22.703  18.207   4.740
  178    H2*    A  17           H2*        A  17  21.602  17.050   6.503
  179   2HO*    A  17          2HO*        A  17  19.620  16.106   4.704
  180    H1*    A  17           H1*        A  17  21.320  14.651   5.173
  181    H8     A  17           H8         A  17  24.784  15.671   4.294
  182   1H6     A  17          1H6         A  17  26.487  14.149  10.046
  183   2H6     A  17          2H6         A  17  27.056  14.601   8.454
  184    H2     A  17           H2         A  17  22.001  14.130   9.875
  185   1H5*    U  18          1H5*        U  18  19.173  20.840   6.656
  186   2H5*    U  18          2H5*        U  18  20.318  22.056   7.253
  187    H4*    U  18           H4*        U  18  18.968  20.383   8.879
  188    H3*    U  18           H3*        U  18  21.756  21.564   9.249
  189    H2*    U  18           H2*        U  18  22.118  20.204  11.117
  190   2HO*    U  18          2HO*        U  18  20.541  19.403  12.357
  191    H1*    U  18           H1*        U  18  20.878  17.932  10.233
  192    H3     U  18           H3         U  18  25.366  17.219  10.553
  193    H5     U  18           H5         U  18  24.672  18.558   6.613
  194    H6     U  18           H6         U  18  22.424  19.179   7.298
  195   1H5*    U  19          1H5*        U  19  21.055  22.101  13.018
  196   2H5*    U  19          2H5*        U  19  21.299  23.800  13.471
  197    H4*    U  19           H4*        U  19  22.865  22.488  14.732
  198    H3*    U  19           H3*        U  19  24.341  23.765  12.366
  199    H2*    U  19           H2*        U  19  26.342  22.879  13.327
  200   2HO*    U  19          2HO*        U  19  26.081  21.723  15.431
  201    H1*    U  19           H1*        U  19  25.239  20.438  13.947
  202    H3     U  19           H3         U  19  28.021  19.540  10.451
  203    H5     U  19           H5         U  19  24.655  21.361   8.684
  204    H6     U  19           H6         U  19  23.813  21.825  10.911
  205   1H5*    A  20          1H5*        A  20  27.512  26.941  15.735
  206   2H5*    A  20          2H5*        A  20  28.446  25.544  15.163
  207    H4*    A  20           H4*        A  20  28.677  26.391  17.652
  208    H3*    A  20           H3*        A  20  29.307  23.902  16.504
  209    H2*    A  20           H2*        A  20  27.446  22.746  17.335
  210   2HO*    A  20          2HO*        A  20  29.598  22.416  18.776
  211    H1*    A  20           H1*        A  20  27.465  24.427  19.849
  212    H8     A  20           H8         A  20  25.201  22.969  17.044
  213   1H6     A  20          1H6         A  20  21.092  22.110  21.553
  214   2H6     A  20          2H6         A  20  21.453  21.852  19.861
  215    H2     A  20           H2         A  20  24.671  24.179  23.329
  216   1H5*    C  21          1H5*        C  21  33.514  21.677  17.593
  217   2H5*    C  21          2H5*        C  21  33.313  22.991  16.424
  218    H4*    C  21           H4*        C  21  31.762  20.389  16.565
  219    H3*    C  21           H3*        C  21  33.726  21.316  14.506
  220    H2*    C  21           H2*        C  21  32.278  20.883  12.788
  221   2HO*    C  21          2HO*        C  21  31.414  18.931  12.534
  222    H1*    C  21           H1*        C  21  29.927  20.381  14.494
  223   1H4     C  21          1H4         C  21  28.925  24.401   9.420
  224   2H4     C  21          2H4         C  21  27.854  25.123  10.598
  225    H5     C  21           H5         C  21  27.816  24.481  12.916
  226    H6     C  21           H6         C  21  28.773  22.981  14.600
  227   1H5*    G  22          1H5*        G  22  32.698  15.764  14.183
  228   2H5*    G  22          2H5*        G  22  32.265  17.448  14.538
  229    H4*    G  22           H4*        G  22  33.810  15.826  16.551
  230    H3*    G  22           H3*        G  22  30.848  15.629  15.946
  231    H2*    G  22           H2*        G  22  30.333  15.755  18.228
  232   2HO*    G  22          2HO*        G  22  32.809  14.536  18.479
  233    H1*    G  22           H1*        G  22  32.464  17.389  19.030
  234    H8     G  22           H8         G  22  30.969  19.227  20.014
  235    H1     G  22           H1         G  22  27.206  19.426  14.840
  236   1H2     G  22          1H2         G  22  27.880  17.942  13.345
  237   2H2     G  22          2H2         G  22  29.255  16.894  13.612
  238   1H5*    G  23          1H5*        G  23  30.124  13.138  19.205
  239   2H5*    G  23          2H5*        G  23  29.182  11.885  18.374
  240    H4*    G  23           H4*        G  23  28.068  13.539  20.129
  241    H3*    G  23           H3*        G  23  26.876  12.453  17.579
  242    H2*    G  23           H2*        G  23  24.985  13.843  17.798
  243   2HO*    G  23          2HO*        G  23  25.667  13.748  20.469
  244    H1*    G  23           H1*        G  23  26.243  16.117  18.588
  245    H8     G  23           H8         G  23  28.746  14.752  16.239
  246    H1     G  23           H1         G  23  23.608  16.988  13.154
  247   1H2     G  23          1H2         G  23  21.945  17.321  14.590
  248   2H2     G  23          2H2         G  23  22.106  16.997  16.302
  249   1H5*    U  24          1H5*        U  24  23.263  11.181  19.164
  250   2H5*    U  24          2H5*        U  24  23.088   9.694  18.215
  251    H4*    U  24           H4*        U  24  21.638  11.810  17.657
  252    H3*    U  24           H3*        U  24  23.024  10.138  15.522
  253    H2*    U  24           H2*        U  24  21.864  11.491  13.950
  254   2HO*    U  24          2HO*        U  24  20.043  12.573  14.407
  255    H1*    U  24           H1*        U  24  22.175  13.866  15.373
  256    H3     U  24           H3         U  24  24.412  13.634  11.265
  257    H5     U  24           H5         U  24  27.190  12.772  14.316
  258    H6     U  24           H6         U  24  25.330  12.600  15.870
  259   1H5*    A  25          1H5*        A  25  19.058   8.047  15.064
  260   2H5*    A  25          2H5*        A  25  19.493   6.523  14.265
  261    H4*    A  25           H4*        A  25  18.463   8.511  12.885
  262    H3*    A  25           H3*        A  25  20.841   6.878  11.957
  263    H2*    A  25           H2*        A  25  20.706   8.083   9.930
  264   2HO*    A  25          2HO*        A  25  18.890   9.228   9.313
  265    H1*    A  25           H1*        A  25  20.008  10.526  11.112
  266    H8     A  25           H8         A  25  22.843   9.534  13.196
  267   1H6     A  25          1H6         A  25  26.649  10.853   8.505
  268   2H6     A  25          2H6         A  25  26.544  10.507  10.217
  269    H2     A  25           H2         A  25  22.454  10.735   6.895
  270   1H5*    C  26          1H5*        C  26  17.839   5.177   8.997
  271   2H5*    C  26          2H5*        C  26  18.584   3.618   8.598
  272    H4*    C  26           H4*        C  26  18.406   5.496   6.782
  273    H3*    C  26           H3*        C  26  20.918   3.863   7.259
  274    H2*    C  26           H2*        C  26  21.805   4.951   5.351
  275   2HO*    C  26          2HO*        C  26  20.403   5.127   3.776
  276    H1*    C  26           H1*        C  26  20.774   7.454   5.956
  277   1H4     C  26          1H4         C  26  26.847   7.299   7.960
  278   2H4     C  26          2H4         C  26  26.297   6.777   9.538
  279    H5     C  26           H5         C  26  23.996   6.234  10.018
  280    H6     C  26           H6         C  26  21.733   6.059   9.087
  281   1H5*    C  27          1H5*        C  27  19.734   2.665   3.464
  282   2H5*    C  27          2H5*        C  27  20.005   0.954   3.086
  283    H4*    C  27           H4*        C  27  21.265   2.463   1.586
  284    H3*    C  27           H3*        C  27  23.067   0.855   3.469
  285    H2*    C  27           H2*        C  27  24.855   1.657   2.076
  286   2HO*    C  27          2HO*        C  27  22.818   2.662   0.341
  287    H1*    C  27           H1*        C  27  23.853   4.225   1.979
  288   1H4     C  27          1H4         C  27  28.159   3.866   6.709
  289   2H4     C  27          2H4         C  27  26.883   3.434   7.826
  290    H5     C  27           H5         C  27  24.597   3.079   7.146
  291    H6     C  27           H6         C  27  23.057   2.996   5.237
  292   1H5*    U  28          1H5*        U  28  24.821  -0.561  -0.196
  293   2H5*    U  28          2H5*        U  28  25.264  -2.240   0.171
  294    H4*    U  28           H4*        U  28  27.141  -0.545  -0.445
  295    H3*    U  28           H3*        U  28  27.252  -2.429   1.947
  296    H2*    U  28           H2*        U  28  29.433  -1.600   2.428
  297   2HO*    U  28          2HO*        U  28  30.598  -0.357   0.961
  298    H1*    U  28           H1*        U  28  28.859   1.034   1.978
  299    H3     U  28           H3         U  28  29.313   0.436   6.483
  300    H5     U  28           H5         U  28  25.327  -0.633   5.627
  301    H6     U  28           H6         U  28  25.856  -0.460   3.264
  302   1H5*    U  29          1H5*        U  29  29.210  -6.104   2.711
  303   2H5*    U  29          2H5*        U  29  29.003  -4.975   4.065
  304    H4*    U  29           H4*        U  29  31.177  -4.808   1.954
  305    H3*    U  29           H3*        U  29  31.161  -5.987   4.721
  306    H2*    U  29           H2*        U  29  33.202  -4.962   5.280
  307   2HO*    U  29          2HO*        U  29  33.819  -3.823   2.860
  308    H1*    U  29           H1*        U  29  32.796  -2.538   4.103
  309    H3     U  29           H3         U  29  32.441  -2.825   8.821
  310    H5     U  29           H5         U  29  28.606  -2.260   7.165
  311    H6     U  29           H6         U  29  29.551  -2.743   4.980
  312   1H5*    U  30          1H5*        U  30  31.449  -9.881   5.726
  313   2H5*    U  30          2H5*        U  30  30.996  -8.536   6.793
  314    H4*    U  30           H4*        U  30  33.604  -8.743   5.243
  315    H3*    U  30           H3*        U  30  32.902  -9.515   8.069
  316    H2*    U  30           H2*        U  30  34.819  -8.465   8.936
  317   2HO*    U  30          2HO*        U  30  35.796  -8.291   6.262
  318    H1*    U  30           H1*        U  30  34.843  -6.238   7.354
  319    H3     U  30           H3         U  30  33.480  -5.709  11.848
  320    H5     U  30           H5         U  30  30.091  -5.481   9.351
  321    H6     U  30           H6         U  30  31.460  -6.308   7.526
  322   1H5*    G  31          1H5*        G  31  36.329 -11.911   7.237
  323   2H5*    G  31          2H5*        G  31  36.232 -13.633   7.652
  324    H4*    G  31           H4*        G  31  37.947 -12.541   9.000
  325    H3*    G  31           H3*        G  31  35.475 -13.463  10.470
  326    H2*    G  31           H2*        G  31  36.380 -12.649  12.494
  327   2HO*    G  31          2HO*        G  31  38.437 -13.180  12.658
  328    H1*    G  31           H1*        G  31  37.434 -10.314  11.513
  329    H8     G  31           H8         G  31  34.201 -10.598   9.685
  330    H1     G  31           H1         G  31  33.358  -8.985  15.827
  331   1H2     G  31          1H2         G  31  35.243  -9.291  16.959
  332   2H2     G  31          2H2         G  31  36.706  -9.886  16.206
  333   1H5*    U  32          1H5*        U  32  38.393 -15.977  12.683
  334   2H5*    U  32          2H5*        U  32  37.471 -17.446  13.059
  335    H4*    U  32           H4*        U  32  38.261 -15.858  14.992
  336    H3*    U  32           H3*        U  32  35.504 -17.100  14.791
  337    H2*    U  32           H2*        U  32  34.965 -16.046  16.829
  338   2HO*    U  32          2HO*        U  32  36.802 -14.981  18.010
  339    H1*    U  32           H1*        U  32  36.394 -13.691  16.390
  340    H3     U  32           H3         U  32  31.828 -12.971  16.761
  341    H5     U  32           H5         U  32  32.651 -13.544  12.667
  342    H6     U  32           H6         U  32  34.886 -14.262  13.283
  343   1H5*    G  33          1H5*        G  33  34.829 -20.733  18.461
  344   2H5*    G  33          2H5*        G  33  34.060 -19.499  17.444
  345    H4*    G  33           H4*        G  33  35.248 -18.974  20.190
  346    H3*    G  33           H3*        G  33  32.405 -19.593  19.367
  347    H2*    G  33           H2*        G  33  31.624 -17.988  20.916
  348   2HO*    G  33          2HO*        G  33  33.873 -17.081  22.064
  349    H1*    G  33           H1*        G  33  33.481 -16.058  20.384
  350    H8     G  33           H8         G  33  32.999 -17.270  16.973
  351    H1     G  33           H1         G  33  27.685 -14.399  19.096
  352   1H2     G  33          1H2         G  33  27.795 -14.120  21.296
  353   2H2     G  33          2H2         G  33  29.175 -14.634  22.240
  354   1H5*    C  34          1H5*        C  34  31.393 -19.627  23.426
  355   2H5*    C  34          2H5*        C  34  30.795 -21.285  23.628
  356    H4*    C  34           H4*        C  34  29.107 -19.625  24.312
  357    H3*    C  34           H3*        C  34  28.428 -21.241  21.834
  358    H2*    C  34           H2*        C  34  26.368 -20.133  21.714
  359   2HO*    C  34          2HO*        C  34  25.383 -19.196  23.461
  360    H1*    C  34           H1*        C  34  27.265 -17.661  22.705
  361   1H4     C  34          1H4         C  34  26.375 -16.926  16.439
  362   2H4     C  34          2H4         C  34  27.928 -17.664  16.117
  363    H5     C  34           H5         C  34  29.321 -18.614  17.846
  364    H6     C  34           H6         C  34  29.510 -19.077  20.247
  365   1H5*    G  35          1H5*        G  35  24.997 -23.139  23.711
  366   2H5*    G  35          2H5*        G  35  25.047 -24.661  22.799
  367    H4*    G  35           H4*        G  35  23.230 -22.817  22.270
  368    H3*    G  35           H3*        G  35  24.766 -24.395  20.189
  369    H2*    G  35           H2*        G  35  23.526 -23.279  18.526
  370   2HO*    G  35          2HO*        G  35  21.649 -22.006  19.099
  371    H1*    G  35           H1*        G  35  23.442 -20.800  19.810
  372    H8     G  35           H8         G  35  26.984 -21.843  20.097
  373    H1     G  35           H1         G  35  25.462 -20.230  14.094
  374   1H2     G  35          1H2         G  35  23.263 -20.072  13.883
  375   2H2     G  35          2H2         G  35  22.168 -20.365  15.215
  376   1H5*    C  36          1H5*        C  36  20.257 -25.898  19.669
  377   2H5*    C  36          2H5*        C  36  20.569 -27.521  19.022
  378    H4*    C  36           H4*        C  36  19.065 -25.935  17.652
  379    H3*    C  36           H3*        C  36  21.415 -27.443  16.466
  380    H2*    C  36           H2*        C  36  20.836 -26.543  14.341
  381   2HO*    C  36          2HO*        C  36  18.683 -25.022  15.021
  382    H1*    C  36           H1*        C  36  20.467 -23.989  15.205
  383   1H4     C  36          1H4         C  36  26.684 -24.524  13.783
  384   2H4     C  36          2H4         C  36  27.016 -24.918  15.454
  385    H5     C  36           H5         C  36  25.285 -25.252  17.101
  386    H6     C  36           H6         C  36  22.866 -25.289  17.493
  387   1H5*    C  37          1H5*        C  37  18.492 -30.257  14.633
  388   2H5*    C  37          2H5*        C  37  19.452 -31.746  14.497
  389    H4*    C  37           H4*        C  37  18.994 -30.243  12.377
  390    H3*    C  37           H3*        C  37  21.721 -31.468  13.020
  391    H2*    C  37           H2*        C  37  22.466 -30.559  10.954
  392   2HO*    C  37          2HO*        C  37  20.762 -29.502   9.575
  393    H1*    C  37           H1*        C  37  21.106 -28.156  11.199
  394   1H4     C  37          1H4         C  37  27.258 -27.682  13.129
  395   2H4     C  37          2H4         C  37  26.673 -27.696  14.778
  396    H5     C  37           H5         C  37  24.353 -27.975  15.351
  397    H6     C  37           H6         C  37  22.110 -28.460  14.485
  398   1H5*    C  38          1H5*        C  38  20.694 -31.469   8.180
  399   2H5*    C  38          2H5*        C  38  20.253 -33.167   8.464
  400    H4*    C  38           H4*        C  38  21.504 -32.987   6.388
  401    H3*    C  38           H3*        C  38  22.794 -34.403   8.695
  402    H2*    C  38           H2*        C  38  24.866 -34.564   7.662
  403   2HO*    C  38          2HO*        C  38  24.987 -35.044   5.624
  404    H1*    C  38           H1*        C  38  24.908 -32.179   6.289
  405   1H4     C  38          1H4         C  38  28.147 -30.687  11.536
  406   2H4     C  38          2H4         C  38  26.733 -30.919  12.541
  407    H5     C  38           H5         C  38  24.612 -31.678  11.678
  408    H6     C  38           H6         C  38  23.392 -32.372   9.667
  409    H3T    C  38           H3T        C  38  21.652 -35.837   7.667
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  39.226 -29.551  12.283
    2   2H5*    G   1          2H5*        G   1  38.954 -27.809  12.072
    3    H4*    G   1           H4*        G   1  38.934 -29.198   9.946
    4    H3*    G   1           H3*        G   1  36.664 -27.371  10.724
    5    H2*    G   1           H2*        G   1  35.336 -28.096   8.931
    6   2HO*    G   1          2HO*        G   1  36.873 -29.729   7.512
    7    H1*    G   1           H1*        G   1  35.992 -30.756   8.948
    8    H8     G   1           H8         G   1  35.688 -29.541  12.530
    9    H1     G   1           H1         G   1  30.050 -30.866   9.800
   10   1H2     G   1          1H2         G   1  30.319 -31.209   7.624
   11   2H2     G   1          2H2         G   1  31.881 -31.103   6.843
   12    H5T    G   1           H5T        G   1  37.557 -28.224  13.612
   13   1H5*    G   2          1H5*        G   2  36.375 -27.259   6.744
   14   2H5*    G   2          2H5*        G   2  36.481 -25.572   6.205
   15    H4*    G   2           H4*        G   2  34.445 -26.591   5.348
   16    H3*    G   2           H3*        G   2  33.970 -24.540   7.537
   17    H2*    G   2           H2*        G   2  31.659 -24.873   7.279
   18   2HO*    G   2          2HO*        G   2  31.193 -26.373   5.244
   19    H1*    G   2           H1*        G   2  31.784 -27.608   6.642
   20    H8     G   2           H8         G   2  33.696 -26.304   9.730
   21    H1     G   2           H1         G   2  27.702 -28.232  10.895
   22   1H2     G   2          1H2         G   2  26.683 -28.742   8.991
   23   2H2     G   2          2H2         G   2  27.477 -28.615   7.438
   24   1H5*    G   3          1H5*        G   3  31.785 -22.369   3.922
   25   2H5*    G   3          2H5*        G   3  31.826 -20.719   4.577
   26    H4*    G   3           H4*        G   3  29.529 -21.920   4.127
   27    H3*    G   3           H3*        G   3  30.170 -20.269   6.597
   28    H2*    G   3           H2*        G   3  28.013 -20.730   7.393
   29   2HO*    G   3          2HO*        G   3  26.738 -20.190   5.701
   30    H1*    G   3           H1*        G   3  27.764 -23.309   6.297
   31    H8     G   3           H8         G   3  31.016 -22.848   8.207
   32    H1     G   3           H1         G   3  26.008 -24.198  11.962
   33   1H2     G   3          1H2         G   3  24.128 -24.103  10.785
   34   2H2     G   3          2H2         G   3  24.105 -23.713   9.081
   35   1H5*    C   4          1H5*        C   4  25.986 -18.500   4.881
   36   2H5*    C   4          2H5*        C   4  26.342 -16.812   5.306
   37    H4*    C   4           H4*        C   4  24.176 -17.908   6.223
   38    H3*    C   4           H3*        C   4  26.139 -16.329   7.890
   39    H2*    C   4           H2*        C   4  24.863 -16.754   9.811
   40   2HO*    C   4          2HO*        C   4  22.768 -16.790   9.779
   41    H1*    C   4           H1*        C   4  23.959 -19.315   9.130
   42   1H4     C   4          1H4         C   4  28.556 -20.283  13.426
   43   2H4     C   4          2H4         C   4  29.782 -19.968  12.218
   44    H5     C   4           H5         C   4  29.272 -19.280   9.970
   45    H6     C   4           H6         C   4  27.479 -18.701   8.400
   46   1H5*    U   5          1H5*        U   5  22.398 -14.480   5.685
   47   2H5*    U   5          2H5*        U   5  22.315 -12.782   5.164
   48    H4*    U   5           H4*        U   5  22.175 -12.185   7.651
   49    H3*    U   5           H3*        U   5  22.660 -14.878   8.172
   50    H2*    U   5           H2*        U   5  20.577 -15.710   7.425
   51   2HO*    U   5          2HO*        U   5  20.669 -16.043   9.726
   52    H1*    U   5           H1*        U   5  19.163 -13.249   8.455
   53    H3     U   5           H3         U   5  15.626 -15.781   6.932
   54    H5     U   5           H5         U   5  17.621 -14.353   3.506
   55    H6     U   5           H6         U   5  19.417 -13.590   4.947
   56   1H5*    A   6          1H5*        A   6  22.881 -10.465  12.415
   57   2H5*    A   6          2H5*        A   6  22.606 -12.203  12.627
   58    H4*    A   6           H4*        A   6  20.745 -10.189  11.337
   59    H3*    A   6           H3*        A   6  20.694 -11.694  13.940
   60    H2*    A   6           H2*        A   6  18.423 -12.214  13.715
   61   2HO*    A   6          2HO*        A   6  17.982  -9.934  13.038
   62    H1*    A   6           H1*        A   6  18.331 -12.659  11.008
   63    H8     A   6           H8         A   6  21.260 -14.582  11.285
   64   1H6     A   6          1H6         A   6  18.425 -18.743  14.861
   65   2H6     A   6          2H6         A   6  19.818 -18.423  13.854
   66    H2     A   6           H2         A   6  15.896 -15.029  14.790
   67   1H5*    G   7          1H5*        G   7  17.830 -10.902  15.563
   68   2H5*    G   7          2H5*        G   7  18.158  -9.552  16.668
   69    H4*    G   7           H4*        G   7  17.232 -11.265  18.018
   70    H3*    G   7           H3*        G   7  20.234 -11.099  18.287
   71    H2*    G   7           H2*        G   7  20.243 -12.952  19.750
   72   2HO*    G   7          2HO*        G   7  18.672 -12.903  21.166
   73    H1*    G   7           H1*        G   7  18.435 -14.499  18.415
   74    H8     G   7           H8         G   7  19.977 -13.384  15.395
   75    H1     G   7           H1         G   7  24.349 -16.427  18.948
   76   1H2     G   7          1H2         G   7  23.622 -16.635  21.033
   77   2H2     G   7          2H2         G   7  22.064 -16.030  21.550
   78   1H5*    C   8          1H5*        C   8  19.715 -10.547  22.062
   79   2H5*    C   8          2H5*        C   8  20.346  -9.027  22.726
   80    H4*    C   8           H4*        C   8  21.563 -10.789  23.769
   81    H3*    C   8           H3*        C   8  23.243  -9.528  21.573
   82    H2*    C   8           H2*        C   8  25.016 -10.878  22.378
   83   2HO*    C   8          2HO*        C   8  24.885 -11.969  24.372
   84    H1*    C   8           H1*        C   8  23.454 -13.130  22.833
   85   1H4     C   8          1H4         C   8  26.387 -13.806  17.187
   86   2H4     C   8          2H4         C   8  24.996 -13.093  16.403
   87    H5     C   8           H5         C   8  23.126 -12.171  17.613
   88    H6     C   8           H6         C   8  22.204 -11.708  19.837
   89   1H5*    A   9          1H5*        A   9  25.899  -8.848  25.175
   90   2H5*    A   9          2H5*        A   9  26.808  -7.443  24.592
   91    H4*    A   9           H4*        A   9  28.095  -9.629  25.112
   92    H3*    A   9           H3*        A   9  28.460  -8.323  22.383
   93    H2*    A   9           H2*        A   9  30.395  -9.783  22.265
   94   2HO*    A   9          2HO*        A   9  30.529  -9.540  24.835
   95    H1*    A   9           H1*        A   9  28.901 -11.929  23.097
   96    H8     A   9           H8         A   9  26.536  -9.913  21.018
   97   1H6     A   9          1H6         A   9  29.420 -12.000  15.979
   98   2H6     A   9          2H6         A   9  28.050 -11.097  16.584
   99    H2     A   9           H2         A   9  31.836 -13.240  19.570
  100   1H5*    C  10          1H5*        C  10  32.154  -6.552  24.346
  101   2H5*    C  10          2H5*        C  10  32.686  -5.195  23.333
  102    H4*    C  10           H4*        C  10  34.172  -7.355  23.556
  103    H3*    C  10           H3*        C  10  33.600  -5.956  20.922
  104    H2*    C  10           H2*        C  10  35.204  -7.447  19.954
  105   2HO*    C  10          2HO*        C  10  36.642  -8.547  21.117
  106    H1*    C  10           H1*        C  10  34.129  -9.657  21.120
  107   1H4     C  10          1H4         C  10  30.999  -8.418  15.621
  108   2H4     C  10          2H4         C  10  29.625  -7.958  16.602
  109    H5     C  10           H5         C  10  29.718  -7.779  19.005
  110    H6     C  10           H6         C  10  31.153  -7.991  20.978
  111   1H5*    U  11          1H5*        U  11  36.169  -2.669  19.010
  112   2H5*    U  11          2H5*        U  11  34.552  -3.366  18.807
  113    H4*    U  11           H4*        U  11  37.120  -4.280  17.470
  114    H3*    U  11           H3*        U  11  34.722  -2.697  16.600
  115    H2*    U  11           H2*        U  11  34.669  -3.788  14.494
  116   2HO*    U  11          2HO*        U  11  36.855  -3.692  13.976
  117    H1*    U  11           H1*        U  11  35.199  -6.315  15.377
  118    H3     U  11           H3         U  11  30.750  -5.658  14.160
  119    H5     U  11           H5         U  11  30.995  -5.333  18.357
  120    H6     U  11           H6         U  11  33.412  -5.294  18.145
  121   1H5*    C  12          1H5*        C  12  39.160  -1.050  13.497
  122   2H5*    C  12          2H5*        C  12  37.403  -0.911  13.708
  123    H4*    C  12           H4*        C  12  38.960  -2.093  11.403
  124    H3*    C  12           H3*        C  12  36.789   0.017  11.672
  125    H2*    C  12           H2*        C  12  35.963  -0.568   9.534
  126   2HO*    C  12          2HO*        C  12  37.188  -1.373   7.988
  127    H1*    C  12           H1*        C  12  36.283  -3.290   9.757
  128   1H4     C  12          1H4         C  12  30.218  -2.184  11.353
  129   2H4     C  12          2H4         C  12  30.703  -1.597  12.927
  130    H5     C  12           H5         C  12  33.014  -1.386  13.604
  131    H6     C  12           H6         C  12  35.347  -1.653  12.893
  132   1H5*    U  13          1H5*        U  13  37.667   3.589   8.093
  133   2H5*    U  13          2H5*        U  13  36.052   3.024   8.574
  134    H4*    U  13           H4*        U  13  37.588   2.389   6.046
  135    H3*    U  13           H3*        U  13  35.025   3.851   6.647
  136    H2*    U  13           H2*        U  13  33.961   2.904   4.777
  137   2HO*    U  13          2HO*        U  13  35.959   1.534   3.582
  138    H1*    U  13           H1*        U  13  35.025   0.377   4.906
  139    H3     U  13           H3         U  13  30.529   0.388   6.016
  140    H5     U  13           H5         U  13  32.666   0.783   9.629
  141    H6     U  13           H6         U  13  34.681   1.139   8.321
  142   1H5*    G  14          1H5*        G  14  36.673   5.352   3.014
  143   2H5*    G  14          2H5*        G  14  36.885   7.096   2.766
  144    H4*    G  14           H4*        G  14  35.558   6.306   0.948
  145    H3*    G  14           H3*        G  14  33.847   7.686   3.044
  146    H2*    G  14           H2*        G  14  31.961   7.335   1.637
  147   2HO*    G  14          2HO*        G  14  32.981   6.032  -0.462
  148    H1*    G  14           H1*        G  14  32.543   4.743   1.018
  149    H8     G  14           H8         G  14  33.689   5.290   4.574
  150    H1     G  14           H1         G  14  27.368   4.392   4.098
  151   1H2     G  14          1H2         G  14  26.746   4.468   1.968
  152   2H2     G  14          2H2         G  14  27.883   4.736   0.666
  153   1H5*    G  15          1H5*        G  15  33.206  10.463  -0.230
  154   2H5*    G  15          2H5*        G  15  32.509  11.945   0.455
  155    H4*    G  15           H4*        G  15  30.989  10.208  -0.821
  156    H3*    G  15           H3*        G  15  30.157  11.515   1.808
  157    H2*    G  15           H2*        G  15  28.036  10.472   1.427
  158   2HO*    G  15          2HO*        G  15  27.394   9.746  -0.510
  159    H1*    G  15           H1*        G  15  29.118   8.058   0.671
  160    H8     G  15           H8         G  15  31.453   8.723   3.350
  161    H1     G  15           H1         G  15  25.547   8.058   5.734
  162   1H2     G  15          1H2         G  15  24.048   8.186   4.097
  163   2H2     G  15          2H2         G  15  24.502   8.431   2.425
  164   1H5*    U  16          1H5*        U  16  27.866  13.441  -0.998
  165   2H5*    U  16          2H5*        U  16  27.455  15.163  -0.869
  166    H4*    U  16           H4*        U  16  25.479  13.748  -0.528
  167    H3*    U  16           H3*        U  16  26.436  15.220   1.962
  168    H2*    U  16           H2*        U  16  24.513  14.384   3.066
  169   2HO*    U  16          2HO*        U  16  23.551  14.098   0.439
  170    H1*    U  16           H1*        U  16  24.585  11.867   1.897
  171    H3     U  16           H3         U  16  25.395  11.769   6.460
  172    H5     U  16           H5         U  16  29.146  12.171   4.578
  173    H6     U  16           H6         U  16  27.980  12.549   2.482
  174   1H5*    A  17          1H5*        A  17  22.994  18.144   1.089
  175   2H5*    A  17          2H5*        A  17  23.461  19.564   2.045
  176    H4*    A  17           H4*        A  17  21.502  17.995   2.851
  177    H3*    A  17           H3*        A  17  23.652  19.122   4.715
  178    H2*    A  17           H2*        A  17  22.528  18.007   6.481
  179   2HO*    A  17          2HO*        A  17  20.392  18.694   5.663
  180    H1*    A  17           H1*        A  17  21.929  15.700   5.095
  181    H8     A  17           H8         A  17  25.427  16.305   4.058
  182   1H6     A  17          1H6         A  17  27.240  14.557   9.712
  183   2H6     A  17          2H6         A  17  27.774  14.942   8.091
  184    H2     A  17           H2         A  17  22.784  15.093   9.785
  185   1H5*    U  18          1H5*        U  18  20.410  22.025   6.747
  186   2H5*    U  18          2H5*        U  18  21.650  23.173   7.282
  187    H4*    U  18           H4*        U  18  20.248  21.644   8.992
  188    H3*    U  18           H3*        U  18  23.155  22.574   9.241
  189    H2*    U  18           H2*        U  18  23.442  21.223  11.134
  190   2HO*    U  18          2HO*        U  18  21.302  21.925  11.984
  191    H1*    U  18           H1*        U  18  22.005  19.054  10.315
  192    H3     U  18           H3         U  18  26.393  17.906  10.435
  193    H5     U  18           H5         U  18  25.729  19.450   6.566
  194    H6     U  18           H6         U  18  23.565  20.248   7.335
  195   1H5*    U  19          1H5*        U  19  25.068  25.790  11.044
  196   2H5*    U  19          2H5*        U  19  25.988  24.450  10.328
  197    H4*    U  19           H4*        U  19  24.404  24.394  12.923
  198    H3*    U  19           H3*        U  19  27.349  24.485  12.299
  199    H2*    U  19           H2*        U  19  27.826  22.963  14.026
  200   2HO*    U  19          2HO*        U  19  26.238  22.426  15.614
  201    H1*    U  19           H1*        U  19  25.683  21.287  13.680
  202    H3     U  19           H3         U  19  29.790  19.451  12.362
  203    H5     U  19           H5         U  19  27.880  20.944   8.915
  204    H6     U  19           H6         U  19  26.265  22.036  10.356
  205   1H5*    A  20          1H5*        A  20  29.130  27.711  16.043
  206   2H5*    A  20          2H5*        A  20  30.265  26.375  15.762
  207    H4*    A  20           H4*        A  20  29.841  27.117  18.199
  208    H3*    A  20           H3*        A  20  30.462  24.524  17.159
  209    H2*    A  20           H2*        A  20  28.371  23.566  17.563
  210   2HO*    A  20          2HO*        A  20  28.762  23.426  20.274
  211    H1*    A  20           H1*        A  20  27.985  25.318  19.999
  212    H8     A  20           H8         A  20  26.281  23.991  16.765
  213   1H6     A  20          1H6         A  20  21.192  23.672  20.224
  214   2H6     A  20          2H6         A  20  21.900  23.328  18.662
  215    H2     A  20           H2         A  20  24.466  25.445  22.752
  216   1H5*    C  21          1H5*        C  21  33.269  21.302  19.788
  217   2H5*    C  21          2H5*        C  21  33.945  22.398  18.574
  218    H4*    C  21           H4*        C  21  31.986  20.151  18.241
  219    H3*    C  21           H3*        C  21  34.473  20.885  16.732
  220    H2*    C  21           H2*        C  21  33.467  20.531  14.707
  221   2HO*    C  21          2HO*        C  21  32.546  18.648  14.249
  222    H1*    C  21           H1*        C  21  30.732  20.262  15.765
  223   1H4     C  21          1H4         C  21  31.399  24.280  10.635
  224   2H4     C  21          2H4         C  21  30.135  25.113  11.512
  225    H5     C  21           H5         C  21  29.453  24.506  13.736
  226    H6     C  21           H6         C  21  29.818  22.953  15.596
  227   1H5*    G  22          1H5*        G  22  33.283  16.346  18.887
  228   2H5*    G  22          2H5*        G  22  32.471  17.862  18.446
  229    H4*    G  22           H4*        G  22  32.496  16.675  21.241
  230    H3*    G  22           H3*        G  22  30.552  16.338  18.974
  231    H2*    G  22           H2*        G  22  28.737  16.807  20.336
  232   2HO*    G  22          2HO*        G  22  28.569  15.789  22.160
  233    H1*    G  22           H1*        G  22  30.066  18.361  22.314
  234    H8     G  22           H8         G  22  28.680  20.518  22.231
  235    H1     G  22           H1         G  22  27.807  20.121  15.902
  236   1H2     G  22          1H2         G  22  28.896  18.377  15.086
  237   2H2     G  22          2H2         G  22  29.847  17.307  16.092
  238   1H5*    G  23          1H5*        G  23  29.944  11.798  17.924
  239   2H5*    G  23          2H5*        G  23  30.673  13.270  17.255
  240    H4*    G  23           H4*        G  23  29.080  13.613  19.739
  241    H3*    G  23           H3*        G  23  27.801  12.687  17.175
  242    H2*    G  23           H2*        G  23  26.118  14.315  17.406
  243   2HO*    G  23          2HO*        G  23  25.444  15.016  19.292
  244    H1*    G  23           H1*        G  23  27.687  16.377  18.297
  245    H8     G  23           H8         G  23  29.938  14.934  15.792
  246    H1     G  23           H1         G  23  24.914  17.742  13.002
  247   1H2     G  23          1H2         G  23  23.325  18.127  14.509
  248   2H2     G  23          2H2         G  23  23.508  17.696  16.194
  249   1H5*    U  24          1H5*        U  24  24.164  11.751  18.915
  250   2H5*    U  24          2H5*        U  24  23.758  10.281  18.010
  251    H4*    U  24           H4*        U  24  22.495  12.499  17.491
  252    H3*    U  24           H3*        U  24  23.673  10.765  15.278
  253    H2*    U  24           H2*        U  24  22.541  12.225  13.776
  254   2HO*    U  24          2HO*        U  24  21.155  13.218  16.065
  255    H1*    U  24           H1*        U  24  23.110  14.538  15.211
  256    H3     U  24           H3         U  24  25.165  14.237  11.027
  257    H5     U  24           H5         U  24  27.959  12.990  13.925
  258    H6     U  24           H6         U  24  26.156  12.951  15.551
  259   1H5*    A  25          1H5*        A  25  19.477   9.450  15.208
  260   2H5*    A  25          2H5*        A  25  19.272   7.830  14.514
  261    H4*    A  25           H4*        A  25  18.555   9.742  13.030
  262    H3*    A  25           H3*        A  25  20.718   7.853  12.049
  263    H2*    A  25           H2*        A  25  20.565   8.973   9.967
  264   2HO*    A  25          2HO*        A  25  18.322  10.462  10.836
  265    H1*    A  25           H1*        A  25  20.266  11.520  11.047
  266    H8     A  25           H8         A  25  22.991  10.056  13.087
  267   1H6     A  25          1H6         A  25  26.815  10.980   8.316
  268   2H6     A  25          2H6         A  25  26.710  10.580  10.016
  269    H2     A  25           H2         A  25  22.607  11.574   6.854
  270   1H5*    C  26          1H5*        C  26  17.350   6.428   9.357
  271   2H5*    C  26          2H5*        C  26  17.874   4.799   8.892
  272    H4*    C  26           H4*        C  26  17.738   6.670   7.085
  273    H3*    C  26           H3*        C  26  20.092   4.787   7.380
  274    H2*    C  26           H2*        C  26  20.974   5.788   5.425
  275   2HO*    C  26          2HO*        C  26  18.435   7.047   5.096
  276    H1*    C  26           H1*        C  26  20.310   8.385   6.087
  277   1H4     C  26          1H4         C  26  26.373   7.417   7.879
  278   2H4     C  26          2H4         C  26  25.813   6.967   9.476
  279    H5     C  26           H5         C  26  23.479   6.734  10.037
  280    H6     C  26           H6         C  26  21.182   6.864   9.186
  281   1H5*    C  27          1H5*        C  27  18.454   3.835   3.790
  282   2H5*    C  27          2H5*        C  27  18.390   2.143   3.268
  283    H4*    C  27           H4*        C  27  19.794   3.470   1.764
  284    H3*    C  27           H3*        C  27  21.461   1.580   3.496
  285    H2*    C  27           H2*        C  27  23.264   2.177   2.027
  286   2HO*    C  27          2HO*        C  27  21.304   3.500   0.422
  287    H1*    C  27           H1*        C  27  22.602   4.861   2.025
  288   1H4     C  27          1H4         C  27  27.120   3.843   6.452
  289   2H4     C  27          2H4         C  27  25.873   3.551   7.646
  290    H5     C  27           H5         C  27  23.521   3.512   7.114
  291    H6     C  27           H6         C  27  21.864   3.670   5.311
  292   1H5*    U  28          1H5*        U  28  23.204  -2.269   1.883
  293   2H5*    U  28          2H5*        U  28  23.499  -1.849   3.581
  294    H4*    U  28           H4*        U  28  25.090  -1.026   1.139
  295    H3*    U  28           H3*        U  28  25.689  -2.671   3.604
  296    H2*    U  28           H2*        U  28  27.888  -1.831   3.645
  297   2HO*    U  28          2HO*        U  28  27.438  -0.777   1.031
  298    H1*    U  28           H1*        U  28  27.330   0.767   2.962
  299    H3     U  28           H3         U  28  28.634   0.540   7.361
  300    H5     U  28           H5         U  28  24.470  -0.114   7.368
  301    H6     U  28           H6         U  28  24.554  -0.253   4.945
  302   1H5*    U  29          1H5*        U  29  27.569  -6.760   3.550
  303   2H5*    U  29          2H5*        U  29  27.224  -5.086   4.025
  304    H4*    U  29           H4*        U  29  29.582  -5.503   2.259
  305    H3*    U  29           H3*        U  29  29.531  -6.514   5.112
  306    H2*    U  29           H2*        U  29  31.673  -5.590   5.457
  307   2HO*    U  29          2HO*        U  29  32.313  -6.378   3.225
  308    H1*    U  29           H1*        U  29  31.286  -3.246   4.076
  309    H3     U  29           H3         U  29  31.543  -2.800   8.736
  310    H5     U  29           H5         U  29  27.474  -2.701   7.639
  311    H6     U  29           H6         U  29  28.122  -3.444   5.419
  312   1H5*    U  30          1H5*        U  30  30.478 -10.263   6.460
  313   2H5*    U  30          2H5*        U  30  29.905  -8.618   6.115
  314    H4*    U  30           H4*        U  30  32.569  -8.876   5.086
  315    H3*    U  30           H3*        U  30  32.292 -10.004   7.875
  316    H2*    U  30           H2*        U  30  34.149  -8.733   8.581
  317   2HO*    U  30          2HO*        U  30  35.655  -7.923   7.209
  318    H1*    U  30           H1*        U  30  33.578  -6.418   7.241
  319    H3     U  30           H3         U  30  32.883  -6.352  11.892
  320    H5     U  30           H5         U  30  29.141  -6.750   9.992
  321    H6     U  30           H6         U  30  30.316  -7.193   7.915
  322   1H5*    G  31          1H5*        G  31  35.970 -12.677   7.050
  323   2H5*    G  31          2H5*        G  31  35.322 -14.169   7.761
  324    H4*    G  31           H4*        G  31  37.339 -13.100   8.929
  325    H3*    G  31           H3*        G  31  34.791 -13.798  10.420
  326    H2*    G  31           H2*        G  31  35.820 -13.049  12.417
  327   2HO*    G  31          2HO*        G  31  38.278 -12.338  11.664
  328    H1*    G  31           H1*        G  31  37.050 -10.833  11.344
  329    H8     G  31           H8         G  31  33.730 -10.817   9.673
  330    H1     G  31           H1         G  31  33.312  -9.113  15.833
  331   1H2     G  31          1H2         G  31  35.204  -9.599  16.888
  332   2H2     G  31          2H2         G  31  36.569 -10.334  16.077
  333   1H5*    U  32          1H5*        U  32  37.414 -16.830  12.336
  334   2H5*    U  32          2H5*        U  32  36.350 -18.180  12.774
  335    H4*    U  32           H4*        U  32  37.423 -16.677  14.644
  336    H3*    U  32           H3*        U  32  34.529 -17.610  14.638
  337    H2*    U  32           H2*        U  32  34.272 -16.497  16.704
  338   2HO*    U  32          2HO*        U  32  36.328 -17.390  17.505
  339    H1*    U  32           H1*        U  32  35.889 -14.309  16.119
  340    H3     U  32           H3         U  32  31.367 -13.328  16.784
  341    H5     U  32           H5         U  32  32.029 -13.625  12.632
  342    H6     U  32           H6         U  32  34.218 -14.558  13.114
  343   1H5*    G  33          1H5*        G  33  33.779 -21.189  18.389
  344   2H5*    G  33          2H5*        G  33  32.996 -19.888  17.471
  345    H4*    G  33           H4*        G  33  34.416 -19.542  20.133
  346    H3*    G  33           H3*        G  33  31.493 -19.900  19.469
  347    H2*    G  33           H2*        G  33  30.915 -18.256  21.062
  348   2HO*    G  33          2HO*        G  33  32.407 -17.483  22.596
  349    H1*    G  33           H1*        G  33  32.881 -16.464  20.471
  350    H8     G  33           H8         G  33  32.232 -17.559  17.062
  351    H1     G  33           H1         G  33  27.130 -14.478  19.400
  352   1H2     G  33          1H2         G  33  27.309 -14.264  21.603
  353   2H2     G  33          2H2         G  33  28.683 -14.876  22.496
  354   1H5*    C  34          1H5*        C  34  30.552 -21.076  23.738
  355   2H5*    C  34          2H5*        C  34  29.591 -22.496  23.281
  356    H4*    C  34           H4*        C  34  28.402 -20.557  24.522
  357    H3*    C  34           H3*        C  34  27.329 -21.768  21.953
  358    H2*    C  34           H2*        C  34  25.496 -20.311  22.062
  359   2HO*    C  34          2HO*        C  34  26.054 -20.384  24.799
  360    H1*    C  34           H1*        C  34  26.868 -18.140  23.198
  361   1H4     C  34          1H4         C  34  25.819 -16.809  17.040
  362   2H4     C  34          2H4         C  34  27.316 -17.609  16.620
  363    H5     C  34           H5         C  34  28.672 -18.802  18.223
  364    H6     C  34           H6         C  34  28.866 -19.498  20.567
  365   1H5*    G  35          1H5*        G  35  23.596 -23.290  23.055
  366   2H5*    G  35          2H5*        G  35  23.811 -24.789  22.130
  367    H4*    G  35           H4*        G  35  22.293 -22.756  21.262
  368    H3*    G  35           H3*        G  35  24.050 -24.529  19.532
  369    H2*    G  35           H2*        G  35  23.274 -23.326  17.662
  370   2HO*    G  35          2HO*        G  35  21.450 -21.831  17.920
  371    H1*    G  35           H1*        G  35  23.144 -20.837  18.955
  372    H8     G  35           H8         G  35  26.493 -22.159  19.811
  373    H1     G  35           H1         G  35  26.141 -20.384  13.672
  374   1H2     G  35          1H2         G  35  24.029 -20.051  13.097
  375   2H2     G  35          2H2         G  35  22.705 -20.268  14.219
  376   1H5*    C  36          1H5*        C  36  19.612 -25.740  17.951
  377   2H5*    C  36          2H5*        C  36  20.076 -27.354  17.378
  378    H4*    C  36           H4*        C  36  18.993 -25.664  15.713
  379    H3*    C  36           H3*        C  36  21.444 -27.349  15.114
  380    H2*    C  36           H2*        C  36  21.467 -26.423  12.925
  381   2HO*    C  36          2HO*        C  36  19.355 -24.736  13.028
  382    H1*    C  36           H1*        C  36  21.080 -23.842  13.695
  383   1H4     C  36          1H4         C  36  27.403 -24.828  13.826
  384   2H4     C  36          2H4         C  36  27.289 -25.229  15.526
  385    H5     C  36           H5         C  36  25.189 -25.424  16.697
  386    H6     C  36           H6         C  36  22.751 -25.287  16.488
  387   1H5*    C  37          1H5*        C  37  18.884 -29.930  12.571
  388   2H5*    C  37          2H5*        C  37  19.724 -31.491  12.677
  389    H4*    C  37           H4*        C  37  19.944 -29.986  10.520
  390    H3*    C  37           H3*        C  37  22.314 -31.411  11.828
  391    H2*    C  37           H2*        C  37  23.625 -30.594  10.021
  392   2HO*    C  37          2HO*        C  37  21.510 -30.995   8.590
  393    H1*    C  37           H1*        C  37  22.428 -28.092   9.919
  394   1H4     C  37          1H4         C  37  27.937 -28.038  13.306
  395   2H4     C  37          2H4         C  37  26.964 -27.966  14.758
  396    H5     C  37           H5         C  37  24.559 -28.055  14.740
  397    H6     C  37           H6         C  37  22.569 -28.393  13.347
  398   1H5*    C  38          1H5*        C  38  22.547 -31.386   6.871
  399   2H5*    C  38          2H5*        C  38  21.899 -33.034   7.029
  400    H4*    C  38           H4*        C  38  23.642 -33.017   5.342
  401    H3*    C  38           H3*        C  38  24.191 -34.468   7.905
  402    H2*    C  38           H2*        C  38  26.434 -34.817   7.431
  403   2HO*    C  38          2HO*        C  38  27.030 -35.357   5.492
  404    H1*    C  38           H1*        C  38  27.019 -32.483   6.095
  405   1H4     C  38          1H4         C  38  28.958 -31.108  11.977
  406   2H4     C  38          2H4         C  38  27.324 -31.195  12.594
  407    H5     C  38           H5         C  38  25.428 -31.805  11.231
  408    H6     C  38           H6         C  38  24.696 -32.455   8.983
  409    H3T    C  38           H3T        C  38  23.396 -34.923   5.314
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  38.266 -28.760  10.706
    2   2H5*    G   1          2H5*        G   1  39.508 -29.735   9.892
    3    H4*    G   1           H4*        G   1  38.711 -28.909   7.702
    4    H3*    G   1           H3*        G   1  36.738 -27.327   9.379
    5    H2*    G   1           H2*        G   1  35.019 -27.787   7.838
    6   2HO*    G   1          2HO*        G   1  36.641 -27.367   6.026
    7    H1*    G   1           H1*        G   1  35.699 -30.388   7.258
    8    H8     G   1           H8         G   1  36.060 -29.454  10.967
    9    H1     G   1           H1         G   1  30.215 -31.470   9.302
   10   1H2     G   1          1H2         G   1  30.086 -31.696   7.099
   11   2H2     G   1          2H2         G   1  31.433 -31.344   6.037
   12    H5T    G   1           H5T        G   1  40.696 -28.032   9.827
   13   1H5*    G   2          1H5*        G   2  35.655 -26.263   4.952
   14   2H5*    G   2          2H5*        G   2  35.313 -24.548   5.255
   15    H4*    G   2           H4*        G   2  33.434 -26.088   4.301
   16    H3*    G   2           H3*        G   2  33.009 -24.164   6.611
   17    H2*    G   2           H2*        G   2  30.762 -24.841   6.693
   18   2HO*    G   2          2HO*        G   2  30.765 -26.338   4.346
   19    H1*    G   2           H1*        G   2  31.188 -27.514   5.933
   20    H8     G   2           H8         G   2  33.389 -26.112   8.753
   21    H1     G   2           H1         G   2  27.836 -28.617  10.719
   22   1H2     G   2          1H2         G   2  26.579 -29.150   8.970
   23   2H2     G   2          2H2         G   2  27.107 -28.895   7.322
   24   1H5*    G   3          1H5*        G   3  30.115 -22.201   3.385
   25   2H5*    G   3          2H5*        G   3  30.057 -20.564   4.065
   26    H4*    G   3           H4*        G   3  27.866 -21.992   3.880
   27    H3*    G   3           H3*        G   3  28.659 -20.328   6.291
   28    H2*    G   3           H2*        G   3  26.690 -21.029   7.359
   29   2HO*    G   3          2HO*        G   3  25.489 -22.296   5.216
   30    H1*    G   3           H1*        G   3  26.574 -23.610   6.267
   31    H8     G   3           H8         G   3  30.025 -22.850   7.637
   32    H1     G   3           H1         G   3  25.826 -24.600  12.144
   33   1H2     G   3          1H2         G   3  23.779 -24.671  11.291
   34   2H2     G   3          2H2         G   3  23.445 -24.290   9.617
   35   1H5*    C   4          1H5*        C   4  25.008 -19.602   5.763
   36   2H5*    C   4          2H5*        C   4  24.455 -17.960   5.370
   37    H4*    C   4           H4*        C   4  23.063 -18.631   7.137
   38    H3*    C   4           H3*        C   4  25.359 -16.998   8.241
   39    H2*    C   4           H2*        C   4  24.546 -17.328  10.413
   40   2HO*    C   4          2HO*        C   4  22.515 -17.033  10.720
   41    H1*    C   4           H1*        C   4  23.432 -19.887  10.007
   42   1H4     C   4          1H4         C   4  28.656 -21.013  13.446
   43   2H4     C   4          2H4         C   4  29.683 -20.570  12.100
   44    H5     C   4           H5         C   4  28.831 -19.762  10.001
   45    H6     C   4           H6         C   4  26.812 -19.160   8.745
   46   1H5*    U   5          1H5*        U   5  20.715 -13.992   6.070
   47   2H5*    U   5          2H5*        U   5  21.874 -13.003   6.984
   48    H4*    U   5           H4*        U   5  21.073 -15.806   7.831
   49    H3*    U   5           H3*        U   5  19.226 -13.727   7.886
   50    H2*    U   5           H2*        U   5  20.404 -12.319   9.377
   51   2HO*    U   5          2HO*        U   5  18.983 -12.413  10.914
   52    H1*    U   5           H1*        U   5  21.393 -14.707  10.937
   53    H3     U   5           H3         U   5  23.113 -11.267  13.455
   54    H5     U   5           H5         U   5  25.339 -11.314   9.876
   55    H6     U   5           H6         U   5  23.743 -12.905   8.979
   56   1H5*    A   6          1H5*        A   6  15.109 -14.728   9.928
   57   2H5*    A   6          2H5*        A   6  15.324 -12.969  10.004
   58    H4*    A   6           H4*        A   6  14.801 -13.861  12.215
   59    H3*    A   6           H3*        A   6  17.045 -12.198  11.761
   60    H2*    A   6           H2*        A   6  18.716 -13.746  12.277
   61   2HO*    A   6          2HO*        A   6  19.156 -12.667  14.061
   62    H1*    A   6           H1*        A   6  16.924 -15.241  14.183
   63    H8     A   6           H8         A   6  19.258 -15.678  11.082
   64   1H6     A   6          1H6         A   6  21.121 -20.838  13.917
   65   2H6     A   6          2H6         A   6  21.334 -19.808  12.520
   66    H2     A   6           H2         A   6  17.908 -18.961  16.434
   67   1H5*    G   7          1H5*        G   7  18.238 -10.684  16.820
   68   2H5*    G   7          2H5*        G   7  18.498 -12.118  15.806
   69    H4*    G   7           H4*        G   7  16.651 -12.314  18.169
   70    H3*    G   7           H3*        G   7  19.652 -12.096  18.359
   71    H2*    G   7           H2*        G   7  19.736 -13.931  19.842
   72   2HO*    G   7          2HO*        G   7  17.349 -13.023  20.594
   73    H1*    G   7           H1*        G   7  17.924 -15.532  18.580
   74    H8     G   7           H8         G   7  19.268 -14.586  15.467
   75    H1     G   7           H1         G   7  24.024 -17.025  18.991
   76   1H2     G   7          1H2         G   7  23.427 -17.094  21.129
   77   2H2     G   7          2H2         G   7  21.862 -16.545  21.685
   78   1H5*    C   8          1H5*        C   8  19.265 -11.767  22.037
   79   2H5*    C   8          2H5*        C   8  19.626 -10.203  22.794
   80    H4*    C   8           H4*        C   8  21.073 -11.691  23.875
   81    H3*    C   8           H3*        C   8  22.616 -10.393  21.604
   82    H2*    C   8           H2*        C   8  24.520 -11.520  22.452
   83   2HO*    C   8          2HO*        C   8  22.989 -12.250  24.743
   84    H1*    C   8           H1*        C   8  23.214 -13.896  23.015
   85   1H4     C   8          1H4         C   8  26.080 -14.454  17.320
   86   2H4     C   8          2H4         C   8  24.592 -13.950  16.549
   87    H5     C   8           H5         C   8  22.653 -13.211  17.777
   88    H6     C   8           H6         C   8  21.737 -12.765  20.006
   89   1H5*    A   9          1H5*        A   9  25.283  -9.102  25.147
   90   2H5*    A   9          2H5*        A   9  26.031  -7.718  24.329
   91    H4*    A   9           H4*        A   9  27.498  -9.759  25.076
   92    H3*    A   9           H3*        A   9  27.751  -8.631  22.252
   93    H2*    A   9           H2*        A   9  29.799  -9.938  22.232
   94   2HO*    A   9          2HO*        A   9  30.730 -10.661  24.027
   95    H1*    A   9           H1*        A   9  28.478 -12.131  23.208
   96    H8     A   9           H8         A   9  25.934 -10.461  21.042
   97   1H6     A   9          1H6         A   9  28.954 -12.582  16.098
   98   2H6     A   9          2H6         A   9  27.513 -11.770  16.666
   99    H2     A   9           H2         A   9  31.502 -13.379  19.723
  100   1H5*    C  10          1H5*        C  10  31.203  -6.228  24.105
  101   2H5*    C  10          2H5*        C  10  31.616  -4.949  22.946
  102    H4*    C  10           H4*        C  10  33.308  -6.903  23.422
  103    H3*    C  10           H3*        C  10  32.658  -5.845  20.643
  104    H2*    C  10           H2*        C  10  34.383  -7.293  19.839
  105   2HO*    C  10          2HO*        C  10  35.895  -8.148  21.109
  106    H1*    C  10           H1*        C  10  33.488  -9.462  21.198
  107   1H4     C  10          1H4         C  10  30.211  -8.937  15.668
  108   2H4     C  10          2H4         C  10  28.812  -8.524  16.633
  109    H5     C  10           H5         C  10  28.912  -8.148  19.013
  110    H6     C  10           H6         C  10  30.380  -8.077  20.973
  111   1H5*    U  11          1H5*        U  11  36.341  -3.874  20.005
  112   2H5*    U  11          2H5*        U  11  35.765  -2.369  19.267
  113    H4*    U  11           H4*        U  11  36.987  -4.216  17.834
  114    H3*    U  11           H3*        U  11  34.541  -2.645  16.929
  115    H2*    U  11           H2*        U  11  34.745  -3.762  14.843
  116   2HO*    U  11          2HO*        U  11  36.596  -4.866  14.243
  117    H1*    U  11           H1*        U  11  35.388  -6.238  15.892
  118    H3     U  11           H3         U  11  31.166  -5.999  13.903
  119    H5     U  11           H5         U  11  30.673  -5.630  18.072
  120    H6     U  11           H6         U  11  33.076  -5.359  18.264
  121   1H5*    C  12          1H5*        C  12  38.415  -1.500  13.612
  122   2H5*    C  12          2H5*        C  12  37.631   0.078  13.400
  123    H4*    C  12           H4*        C  12  38.259  -1.598  11.351
  124    H3*    C  12           H3*        C  12  35.946   0.356  11.507
  125    H2*    C  12           H2*        C  12  35.224  -0.385   9.393
  126   2HO*    C  12          2HO*        C  12  37.876  -0.726   8.997
  127    H1*    C  12           H1*        C  12  35.978  -3.064   9.720
  128   1H4     C  12          1H4         C  12  29.609  -2.180  10.463
  129   2H4     C  12          2H4         C  12  29.852  -2.674  12.123
  130    H5     C  12           H5         C  12  32.040  -3.038  13.085
  131    H6     C  12           H6         C  12  34.456  -2.962  12.667
  132   1H5*    U  13          1H5*        U  13  37.847   4.363   7.978
  133   2H5*    U  13          2H5*        U  13  36.205   3.756   8.284
  134    H4*    U  13           H4*        U  13  38.040   3.147   5.960
  135    H3*    U  13           H3*        U  13  35.349   4.459   6.243
  136    H2*    U  13           H2*        U  13  34.542   3.405   4.304
  137   2HO*    U  13          2HO*        U  13  36.258   2.157   3.020
  138    H1*    U  13           H1*        U  13  35.735   0.952   4.606
  139    H3     U  13           H3         U  13  31.162   0.683   5.252
  140    H5     U  13           H5         U  13  32.873   1.329   9.051
  141    H6     U  13           H6         U  13  34.989   1.783   7.947
  142   1H5*    G  14          1H5*        G  14  37.404   7.009   2.951
  143   2H5*    G  14          2H5*        G  14  36.928   8.702   3.197
  144    H4*    G  14           H4*        G  14  36.070   7.600   1.072
  145    H3*    G  14           H3*        G  14  34.194   8.902   3.065
  146    H2*    G  14           H2*        G  14  32.350   8.340   1.677
  147   2HO*    G  14          2HO*        G  14  33.464   7.049  -0.377
  148    H1*    G  14           H1*        G  14  33.106   5.783   1.163
  149    H8     G  14           H8         G  14  34.305   6.600   4.659
  150    H1     G  14           H1         G  14  28.085   5.105   4.417
  151   1H2     G  14          1H2         G  14  27.406   5.012   2.305
  152   2H2     G  14          2H2         G  14  28.481   5.314   0.958
  153   1H5*    G  15          1H5*        G  15  33.469  11.620  -0.274
  154   2H5*    G  15          2H5*        G  15  32.627  13.033   0.392
  155    H4*    G  15           H4*        G  15  31.287  11.149  -0.873
  156    H3*    G  15           H3*        G  15  30.335  12.402   1.744
  157    H2*    G  15           H2*        G  15  28.326  11.146   1.395
  158   2HO*    G  15          2HO*        G  15  27.843  10.158  -0.530
  159    H1*    G  15           H1*        G  15  29.625   8.834   0.706
  160    H8     G  15           H8         G  15  31.941   9.870   3.305
  161    H1     G  15           H1         G  15  26.206   8.581   5.847
  162   1H2     G  15          1H2         G  15  24.673   8.463   4.242
  163   2H2     G  15          2H2         G  15  25.062   8.698   2.553
  164   1H5*    U  16          1H5*        U  16  27.840  13.580  -0.969
  165   2H5*    U  16          2H5*        U  16  27.179  15.200  -1.273
  166    H4*    U  16           H4*        U  16  25.331  13.817  -0.690
  167    H3*    U  16           H3*        U  16  26.181  15.499   1.708
  168    H2*    U  16           H2*        U  16  24.306  14.598   2.862
  169   2HO*    U  16          2HO*        U  16  22.981  13.046   1.342
  170    H1*    U  16           H1*        U  16  24.603  12.024   1.911
  171    H3     U  16           H3         U  16  25.545  12.238   6.414
  172    H5     U  16           H5         U  16  29.163  13.111   4.434
  173    H6     U  16           H6         U  16  27.922  13.201   2.349
  174   1H5*    A  17          1H5*        A  17  22.414  17.952   0.853
  175   2H5*    A  17          2H5*        A  17  22.736  19.461   1.731
  176    H4*    A  17           H4*        A  17  20.963  17.737   2.642
  177    H3*    A  17           H3*        A  17  23.007  19.175   4.408
  178    H2*    A  17           H2*        A  17  22.024  18.047   6.252
  179   2HO*    A  17          2HO*        A  17  19.945  17.023   4.625
  180    H1*    A  17           H1*        A  17  21.667  15.619   5.000
  181    H8     A  17           H8         A  17  25.062  16.579   3.866
  182   1H6     A  17          1H6         A  17  27.140  15.283   9.550
  183   2H6     A  17          2H6         A  17  27.604  15.663   7.907
  184    H2     A  17           H2         A  17  22.653  15.296   9.680
  185   1H5*    U  18          1H5*        U  18  19.466  21.655   6.482
  186   2H5*    U  18          2H5*        U  18  20.547  22.984   6.943
  187    H4*    U  18           H4*        U  18  19.413  21.347   8.746
  188    H3*    U  18           H3*        U  18  22.181  22.639   8.873
  189    H2*    U  18           H2*        U  18  22.667  21.421  10.818
  190   2HO*    U  18          2HO*        U  18  21.165  20.626  12.161
  191    H1*    U  18           H1*        U  18  21.470  19.064  10.119
  192    H3     U  18           H3         U  18  25.962  18.424  10.257
  193    H5     U  18           H5         U  18  25.110  19.687   6.323
  194    H6     U  18           H6         U  18  22.874  20.276   7.075
  195   1H5*    U  19          1H5*        U  19  23.645  25.883  11.212
  196   2H5*    U  19          2H5*        U  19  24.826  24.856  10.375
  197    H4*    U  19           H4*        U  19  23.625  24.476  13.135
  198    H3*    U  19           H3*        U  19  26.418  24.938  12.079
  199    H2*    U  19           H2*        U  19  27.312  23.574  13.776
  200   2HO*    U  19          2HO*        U  19  26.022  22.904  15.569
  201    H1*    U  19           H1*        U  19  25.363  21.632  13.751
  202    H3     U  19           H3         U  19  29.464  20.177  12.037
  203    H5     U  19           H5         U  19  27.081  21.383   8.776
  204    H6     U  19           H6         U  19  25.512  22.344  10.357
  205   1H5*    A  20          1H5*        A  20  28.280  28.463  15.590
  206   2H5*    A  20          2H5*        A  20  29.469  27.203  15.204
  207    H4*    A  20           H4*        A  20  29.283  28.008  17.657
  208    H3*    A  20           H3*        A  20  30.018  25.447  16.616
  209    H2*    A  20           H2*        A  20  28.083  24.322  17.290
  210   2HO*    A  20          2HO*        A  20  28.823  24.317  19.936
  211    H1*    A  20           H1*        A  20  27.831  26.110  19.717
  212    H8     A  20           H8         A  20  25.881  24.538  16.742
  213   1H6     A  20          1H6         A  20  21.298  23.869  20.806
  214   2H6     A  20          2H6         A  20  21.841  23.542  19.175
  215    H2     A  20           H2         A  20  24.675  26.004  22.878
  216   1H5*    C  21          1H5*        C  21  33.364  22.571  19.004
  217   2H5*    C  21          2H5*        C  21  33.830  23.683  17.706
  218    H4*    C  21           H4*        C  21  32.065  21.260  17.609
  219    H3*    C  21           H3*        C  21  34.323  22.189  15.862
  220    H2*    C  21           H2*        C  21  33.181  21.683  13.944
  221   2HO*    C  21          2HO*        C  21  32.435  19.706  13.605
  222    H1*    C  21           H1*        C  21  30.588  21.185  15.246
  223   1H4     C  21          1H4         C  21  30.411  25.118  10.013
  224   2H4     C  21          2H4         C  21  29.162  25.856  10.990
  225    H5     C  21           H5         C  21  28.743  25.248  13.279
  226    H6     C  21           H6         C  21  29.418  23.783  15.123
  227   1H5*    G  22          1H5*        G  22  33.783  17.606  18.172
  228   2H5*    G  22          2H5*        G  22  32.812  19.048  17.814
  229    H4*    G  22           H4*        G  22  33.237  17.922  20.601
  230    H3*    G  22           H3*        G  22  31.089  17.351  18.567
  231    H2*    G  22           H2*        G  22  29.406  17.690  20.122
  232   2HO*    G  22          2HO*        G  22  29.539  16.713  21.973
  233    H1*    G  22           H1*        G  22  30.805  19.402  21.915
  234    H8     G  22           H8         G  22  29.183  21.386  21.984
  235    H1     G  22           H1         G  22  27.733  20.867  15.771
  236   1H2     G  22          1H2         G  22  28.912  19.242  14.843
  237   2H2     G  22          2H2         G  22  30.058  18.276  15.745
  238   1H5*    G  23          1H5*        G  23  30.917  13.270  18.143
  239   2H5*    G  23          2H5*        G  23  30.354  13.938  16.599
  240    H4*    G  23           H4*        G  23  29.578  14.720  19.410
  241    H3*    G  23           H3*        G  23  28.099  13.667  17.006
  242    H2*    G  23           H2*        G  23  26.285  15.117  17.341
  243   2HO*    G  23          2HO*        G  23  25.702  15.847  19.263
  244    H1*    G  23           H1*        G  23  27.623  17.372  18.029
  245    H8     G  23           H8         G  23  29.983  16.005  15.554
  246    H1     G  23           H1         G  23  24.652  18.153  12.744
  247   1H2     G  23          1H2         G  23  23.070  18.481  14.271
  248   2H2     G  23          2H2         G  23  23.330  18.176  15.972
  249   1H5*    U  24          1H5*        U  24  24.546  12.545  18.934
  250   2H5*    U  24          2H5*        U  24  24.333  11.025  18.047
  251    H4*    U  24           H4*        U  24  22.810  13.097  17.523
  252    H3*    U  24           H3*        U  24  24.084  11.384  15.346
  253    H2*    U  24           H2*        U  24  22.783  12.664  13.821
  254   2HO*    U  24          2HO*        U  24  21.373  13.652  16.100
  255    H1*    U  24           H1*        U  24  23.163  15.086  15.133
  256    H3     U  24           H3         U  24  25.138  14.784  10.911
  257    H5     U  24           H5         U  24  28.107  13.941  13.783
  258    H6     U  24           H6         U  24  26.354  13.810  15.460
  259   1H5*    A  25          1H5*        A  25  20.073   9.281  15.362
  260   2H5*    A  25          2H5*        A  25  20.365   7.710  14.591
  261    H4*    A  25           H4*        A  25  19.191   9.581  13.229
  262    H3*    A  25           H3*        A  25  21.517   7.972  12.158
  263    H2*    A  25           H2*        A  25  21.193   9.089  10.102
  264   2HO*    A  25          2HO*        A  25  18.833  10.356  10.973
  265    H1*    A  25           H1*        A  25  20.602  11.579  11.204
  266    H8     A  25           H8         A  25  23.535  10.585  13.184
  267   1H6     A  25          1H6         A  25  27.098  11.759   8.269
  268   2H6     A  25          2H6         A  25  27.083  11.441   9.990
  269    H2     A  25           H2         A  25  22.819  11.694   6.896
  270   1H5*    C  26          1H5*        C  26  18.283   6.121   9.646
  271   2H5*    C  26          2H5*        C  26  18.950   4.538   9.208
  272    H4*    C  26           H4*        C  26  18.642   6.339   7.361
  273    H3*    C  26           H3*        C  26  21.192   4.739   7.709
  274    H2*    C  26           H2*        C  26  21.959   5.778   5.727
  275   2HO*    C  26          2HO*        C  26  20.627   6.299   4.184
  276    H1*    C  26           H1*        C  26  20.969   8.298   6.311
  277   1H4     C  26          1H4         C  26  27.134   8.165   8.018
  278   2H4     C  26          2H4         C  26  26.656   7.717   9.641
  279    H5     C  26           H5         C  26  24.378   7.211  10.253
  280    H6     C  26           H6         C  26  22.073   7.017   9.439
  281   1H5*    C  27          1H5*        C  27  19.343   2.746   4.282
  282   2H5*    C  27          2H5*        C  27  19.876   1.064   4.114
  283    H4*    C  27           H4*        C  27  20.766   2.680   2.378
  284    H3*    C  27           H3*        C  27  22.817   1.218   4.109
  285    H2*    C  27           H2*        C  27  24.438   2.102   2.587
  286   2HO*    C  27          2HO*        C  27  23.674   1.956   0.577
  287    H1*    C  27           H1*        C  27  23.268   4.607   2.482
  288   1H4     C  27          1H4         C  27  27.994   4.611   6.826
  289   2H4     C  27          2H4         C  27  26.815   4.268   8.074
  290    H5     C  27           H5         C  27  24.485   3.852   7.609
  291    H6     C  27           H6         C  27  22.798   3.607   5.844
  292   1H5*    U  28          1H5*        U  28  24.067  -0.984   0.396
  293   2H5*    U  28          2H5*        U  28  24.629  -2.502   1.123
  294    H4*    U  28           H4*        U  28  26.320  -0.874  -0.090
  295    H3*    U  28           H3*        U  28  26.839  -2.432   2.471
  296    H2*    U  28           H2*        U  28  28.969  -1.423   2.622
  297   2HO*    U  28          2HO*        U  28  29.300  -1.708   0.247
  298    H1*    U  28           H1*        U  28  28.246   1.108   1.899
  299    H3     U  28           H3         U  28  29.158   1.031   6.388
  300    H5     U  28           H5         U  28  25.107  -0.079   6.046
  301    H6     U  28           H6         U  28  25.412  -0.200   3.639
  302   1H5*    U  29          1H5*        U  29  27.670  -6.417   2.865
  303   2H5*    U  29          2H5*        U  29  27.658  -5.174   4.131
  304    H4*    U  29           H4*        U  29  29.438  -5.230   1.675
  305    H3*    U  29           H3*        U  29  29.914  -5.968   4.541
  306    H2*    U  29           H2*        U  29  31.882  -4.716   4.702
  307   2HO*    U  29          2HO*        U  29  32.400  -5.587   2.396
  308    H1*    U  29           H1*        U  29  31.192  -2.533   3.227
  309    H3     U  29           H3         U  29  31.337  -1.992   7.912
  310    H5     U  29           H5         U  29  27.306  -2.108   6.683
  311    H6     U  29           H6         U  29  28.062  -2.877   4.506
  312   1H5*    U  30          1H5*        U  30  30.917  -9.874   5.816
  313   2H5*    U  30          2H5*        U  30  30.689  -8.114   5.861
  314    H4*    U  30           H4*        U  30  33.491  -8.885   5.454
  315    H3*    U  30           H3*        U  30  32.101  -9.922   7.936
  316    H2*    U  30           H2*        U  30  33.952  -9.227   9.223
  317   2HO*    U  30          2HO*        U  30  35.818  -8.314   7.803
  318    H1*    U  30           H1*        U  30  34.432  -6.851   7.914
  319    H3     U  30           H3         U  30  32.774  -6.279  12.228
  320    H5     U  30           H5         U  30  29.489  -6.111   9.592
  321    H6     U  30           H6         U  30  30.950  -6.901   7.823
  322   1H5*    G  31          1H5*        G  31  35.440 -12.907   7.254
  323   2H5*    G  31          2H5*        G  31  35.008 -14.476   7.962
  324    H4*    G  31           H4*        G  31  36.948 -13.253   9.062
  325    H3*    G  31           H3*        G  31  34.539 -14.179  10.635
  326    H2*    G  31           H2*        G  31  35.506 -13.300  12.605
  327   2HO*    G  31          2HO*        G  31  37.840 -12.328  11.999
  328    H1*    G  31           H1*        G  31  36.478 -10.974  11.523
  329    H8     G  31           H8         G  31  33.174 -11.400   9.841
  330    H1     G  31           H1         G  31  32.565  -9.540  15.939
  331   1H2     G  31          1H2         G  31  34.505  -9.755  16.998
  332   2H2     G  31          2H2         G  31  35.947 -10.349  16.205
  333   1H5*    U  32          1H5*        U  32  37.471 -16.725  12.653
  334   2H5*    U  32          2H5*        U  32  36.589 -18.183  13.147
  335    H4*    U  32           H4*        U  32  37.412 -16.452  14.949
  336    H3*    U  32           H3*        U  32  34.673 -17.762  14.938
  337    H2*    U  32           H2*        U  32  34.202 -16.598  16.929
  338   2HO*    U  32          2HO*        U  32  36.283 -17.203  17.870
  339    H1*    U  32           H1*        U  32  35.614 -14.263  16.296
  340    H3     U  32           H3         U  32  31.046 -13.612  16.943
  341    H5     U  32           H5         U  32  31.674 -14.169  12.812
  342    H6     U  32           H6         U  32  33.942 -14.870  13.317
  343   1H5*    G  33          1H5*        G  33  34.023 -21.184  18.639
  344   2H5*    G  33          2H5*        G  33  33.339 -19.907  17.616
  345    H4*    G  33           H4*        G  33  34.613 -19.373  20.315
  346    H3*    G  33           H3*        G  33  31.720 -20.010  19.664
  347    H2*    G  33           H2*        G  33  31.042 -18.370  21.233
  348   2HO*    G  33          2HO*        G  33  32.483 -17.440  22.709
  349    H1*    G  33           H1*        G  33  32.841 -16.455  20.517
  350    H8     G  33           H8         G  33  32.197 -17.744  17.173
  351    H1     G  33           H1         G  33  26.929 -14.967  19.525
  352   1H2     G  33          1H2         G  33  27.147 -14.645  21.711
  353   2H2     G  33          2H2         G  33  28.587 -15.108  22.589
  354   1H5*    C  34          1H5*        C  34  30.980 -20.053  23.560
  355   2H5*    C  34          2H5*        C  34  30.444 -21.692  23.981
  356    H4*    C  34           H4*        C  34  28.767 -20.085  24.696
  357    H3*    C  34           H3*        C  34  27.895 -21.718  22.291
  358    H2*    C  34           H2*        C  34  25.834 -20.603  22.337
  359   2HO*    C  34          2HO*        C  34  24.975 -19.715  24.146
  360    H1*    C  34           H1*        C  34  26.822 -18.128  23.226
  361   1H4     C  34          1H4         C  34  25.419 -17.461  17.045
  362   2H4     C  34          2H4         C  34  26.949 -18.185  16.608
  363    H5     C  34           H5         C  34  28.485 -19.107  18.227
  364    H6     C  34           H6         C  34  28.868 -19.548  20.610
  365   1H5*    G  35          1H5*        G  35  25.112 -24.424  23.654
  366   2H5*    G  35          2H5*        G  35  25.674 -25.668  22.519
  367    H4*    G  35           H4*        G  35  23.682 -23.805  22.041
  368    H3*    G  35           H3*        G  35  25.378 -25.349  20.054
  369    H2*    G  35           H2*        G  35  24.255 -24.191  18.338
  370   2HO*    G  35          2HO*        G  35  22.191 -23.868  18.523
  371    H1*    G  35           H1*        G  35  24.048 -21.757  19.716
  372    H8     G  35           H8         G  35  27.589 -22.635  20.153
  373    H1     G  35           H1         G  35  26.317 -21.115  14.068
  374   1H2     G  35          1H2         G  35  24.128 -21.076  13.736
  375   2H2     G  35          2H2         G  35  22.979 -21.427  15.006
  376   1H5*    C  36          1H5*        C  36  20.785 -26.711  19.097
  377   2H5*    C  36          2H5*        C  36  21.204 -28.329  18.500
  378    H4*    C  36           H4*        C  36  19.742 -26.809  17.006
  379    H3*    C  36           H3*        C  36  22.200 -28.284  16.014
  380    H2*    C  36           H2*        C  36  21.762 -27.431  13.839
  381   2HO*    C  36          2HO*        C  36  19.547 -25.940  14.278
  382    H1*    C  36           H1*        C  36  21.270 -24.872  14.620
  383   1H4     C  36          1H4         C  36  27.586 -25.255  13.677
  384   2H4     C  36          2H4         C  36  27.802 -25.645  15.369
  385    H5     C  36           H5         C  36  25.961 -26.017  16.884
  386    H6     C  36           H6         C  36  23.522 -26.108  17.097
  387   1H5*    C  37          1H5*        C  37  19.521 -30.902  13.714
  388   2H5*    C  37          2H5*        C  37  20.402 -32.444  13.721
  389    H4*    C  37           H4*        C  37  20.258 -31.042  11.515
  390    H3*    C  37           H3*        C  37  22.883 -32.246  12.527
  391    H2*    C  37           H2*        C  37  23.865 -31.444  10.515
  392   2HO*    C  37          2HO*        C  37  21.796 -30.349   9.205
  393    H1*    C  37           H1*        C  37  22.512 -29.026  10.491
  394   1H4     C  37          1H4         C  37  28.406 -28.445  13.066
  395   2H4     C  37          2H4         C  37  27.655 -28.451  14.647
  396    H5     C  37           H5         C  37  25.291 -28.753  14.982
  397    H6     C  37           H6         C  37  23.154 -29.270  13.896
  398   1H5*    C  38          1H5*        C  38  22.337 -32.514   7.634
  399   2H5*    C  38          2H5*        C  38  21.885 -34.204   7.951
  400    H4*    C  38           H4*        C  38  23.301 -34.081   5.973
  401    H3*    C  38           H3*        C  38  24.386 -35.437   8.411
  402    H2*    C  38           H2*        C  38  26.535 -35.634   7.556
  403   2HO*    C  38          2HO*        C  38  26.826 -36.154   5.544
  404    H1*    C  38           H1*        C  38  26.707 -33.283   6.139
  405   1H4     C  38          1H4         C  38  29.488 -31.661  11.605
  406   2H4     C  38          2H4         C  38  28.001 -31.892  12.496
  407    H5     C  38           H5         C  38  25.963 -32.688  11.477
  408    H6     C  38           H6         C  38  24.916 -33.424   9.385
  409    H3T    C  38           H3T        C  38  23.210 -36.006   5.988
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  38.880 -29.559  11.674
    2   2H5*    G   1          2H5*        G   1  38.917 -27.820  11.310
    3    H4*    G   1           H4*        G   1  38.551 -29.112   9.267
    4    H3*    G   1           H3*        G   1  36.291 -27.371  10.241
    5    H2*    G   1           H2*        G   1  34.822 -28.174   8.601
    6   2HO*    G   1          2HO*        G   1  36.293 -29.759   7.050
    7    H1*    G   1           H1*        G   1  35.585 -30.805   8.568
    8    H8     G   1           H8         G   1  35.587 -29.511  12.146
    9    H1     G   1           H1         G   1  29.792 -31.240  10.042
   10   1H2     G   1          1H2         G   1  29.861 -31.639   7.861
   11   2H2     G   1          2H2         G   1  31.326 -31.466   6.920
   12    H5T    G   1           H5T        G   1  37.604 -27.954  13.016
   13   1H5*    G   2          1H5*        G   2  35.650 -27.335   6.307
   14   2H5*    G   2          2H5*        G   2  35.625 -25.659   5.727
   15    H4*    G   2           H4*        G   2  33.576 -26.794   5.072
   16    H3*    G   2           H3*        G   2  33.176 -24.721   7.257
   17    H2*    G   2           H2*        G   2  30.871 -25.177   7.187
   18   2HO*    G   2          2HO*        G   2  30.327 -26.749   5.232
   19    H1*    G   2           H1*        G   2  31.095 -27.916   6.606
   20    H8     G   2           H8         G   2  33.171 -26.414   9.493
   21    H1     G   2           H1         G   2  27.425 -28.668  11.197
   22   1H2     G   2          1H2         G   2  26.289 -29.295   9.398
   23   2H2     G   2          2H2         G   2  26.945 -29.167   7.781
   24   1H5*    G   3          1H5*        G   3  30.892 -22.512   3.796
   25   2H5*    G   3          2H5*        G   3  30.856 -20.865   4.458
   26    H4*    G   3           H4*        G   3  28.626 -22.216   4.130
   27    H3*    G   3           H3*        G   3  29.296 -20.541   6.578
   28    H2*    G   3           H2*        G   3  27.218 -21.145   7.486
   29   2HO*    G   3          2HO*        G   3  26.362 -20.820   5.082
   30    H1*    G   3           H1*        G   3  27.091 -23.734   6.406
   31    H8     G   3           H8         G   3  30.427 -23.073   8.086
   32    H1     G   3           H1         G   3  25.776 -24.670  12.189
   33   1H2     G   3          1H2         G   3  23.816 -24.686  11.147
   34   2H2     G   3          2H2         G   3  23.653 -24.310   9.447
   35   1H5*    C   4          1H5*        C   4  25.544 -18.906   5.248
   36   2H5*    C   4          2H5*        C   4  25.569 -17.132   5.344
   37    H4*    C   4           H4*        C   4  23.730 -18.155   6.663
   38    H3*    C   4           H3*        C   4  25.872 -16.647   8.194
   39    H2*    C   4           H2*        C   4  24.749 -17.120  10.196
   40   2HO*    C   4          2HO*        C   4  22.646 -16.547   8.873
   41    H1*    C   4           H1*        C   4  23.682 -19.618   9.425
   42   1H4     C   4          1H4         C   4  28.319 -20.979  13.572
   43   2H4     C   4          2H4         C   4  29.530 -20.672  12.346
   44    H5     C   4           H5         C   4  29.002 -19.861  10.144
   45    H6     C   4           H6         C   4  27.204 -19.130   8.646
   46   1H5*    U   5          1H5*        U   5  22.999 -12.641   4.659
   47   2H5*    U   5          2H5*        U   5  23.557 -12.220   6.292
   48    H4*    U   5           H4*        U   5  21.134 -12.199   6.254
   49    H3*    U   5           H3*        U   5  22.474 -13.655   8.166
   50    H2*    U   5           H2*        U   5  22.250 -15.783   7.137
   51   2HO*    U   5          2HO*        U   5  19.752 -15.437   8.472
   52    H1*    U   5           H1*        U   5  19.438 -15.137   6.258
   53    H3     U   5           H3         U   5  19.956 -19.514   4.874
   54    H5     U   5           H5         U   5  22.178 -17.134   2.198
   55    H6     U   5           H6         U   5  21.842 -15.253   3.693
   56   1H5*    A   6          1H5*        A   6  18.126 -12.736   8.807
   57   2H5*    A   6          2H5*        A   6  17.601 -11.424   9.879
   58    H4*    A   6           H4*        A   6  16.145 -13.290  10.251
   59    H3*    A   6           H3*        A   6  18.140 -12.810  12.459
   60    H2*    A   6           H2*        A   6  17.441 -14.730  13.605
   61   2HO*    A   6          2HO*        A   6  15.346 -14.914  13.722
   62    H1*    A   6           H1*        A   6  16.984 -16.375  11.443
   63    H8     A   6           H8         A   6  20.167 -14.839  10.445
   64   1H6     A   6          1H6         A   6  23.047 -18.402  14.586
   65   2H6     A   6          2H6         A   6  23.253 -17.346  13.208
   66    H2     A   6           H2         A   6  18.637 -18.597  15.423
   67   1H5*    G   7          1H5*        G   7  17.998 -11.138  15.933
   68   2H5*    G   7          2H5*        G   7  18.688 -12.518  15.054
   69    H4*    G   7           H4*        G   7  16.875 -12.951  17.430
   70    H3*    G   7           H3*        G   7  19.808 -12.217  17.515
   71    H2*    G   7           H2*        G   7  20.150 -13.836  19.203
   72   2HO*    G   7          2HO*        G   7  18.247 -14.924  20.127
   73    H1*    G   7           H1*        G   7  18.572 -15.805  18.128
   74    H8     G   7           H8         G   7  20.054 -14.656  15.015
   75    H1     G   7           H1         G   7  24.551 -17.220  18.781
   76   1H2     G   7          1H2         G   7  23.777 -17.435  20.850
   77   2H2     G   7          2H2         G   7  22.158 -16.952  21.303
   78   1H5*    C   8          1H5*        C   8  19.335 -11.294  21.721
   79   2H5*    C   8          2H5*        C   8  20.140  -9.715  21.810
   80    H4*    C   8           H4*        C   8  21.198 -11.516  23.210
   81    H3*    C   8           H3*        C   8  22.891 -10.219  21.043
   82    H2*    C   8           H2*        C   8  24.713 -11.411  21.980
   83   2HO*    C   8          2HO*        C   8  23.439 -12.609  24.087
   84    H1*    C   8           H1*        C   8  23.291 -13.750  22.445
   85   1H4     C   8          1H4         C   8  26.524 -14.383  16.957
   86   2H4     C   8          2H4         C   8  25.114 -13.820  16.090
   87    H5     C   8           H5         C   8  23.123 -13.017  17.186
   88    H6     C   8           H6         C   8  22.070 -12.549  19.348
   89   1H5*    A   9          1H5*        A   9  25.343  -8.829  24.682
   90   2H5*    A   9          2H5*        A   9  26.197  -7.508  23.864
   91    H4*    A   9           H4*        A   9  27.510  -9.608  24.760
   92    H3*    A   9           H3*        A   9  27.999  -8.506  21.951
   93    H2*    A   9           H2*        A   9  29.982  -9.902  22.059
   94   2HO*    A   9          2HO*        A   9  29.260 -10.186  24.810
   95    H1*    A   9           H1*        A   9  28.514 -12.034  22.949
   96    H8     A   9           H8         A   9  26.157 -10.284  20.649
   97   1H6     A   9          1H6         A   9  29.390 -12.477  15.873
   98   2H6     A   9          2H6         A   9  27.941 -11.626  16.362
   99    H2     A   9           H2         A   9  31.706 -13.356  19.631
  100   1H5*    C  10          1H5*        C  10  31.384  -6.070  24.032
  101   2H5*    C  10          2H5*        C  10  31.864  -4.840  22.845
  102    H4*    C  10           H4*        C  10  33.534  -6.754  23.507
  103    H3*    C  10           H3*        C  10  33.110  -5.778  20.633
  104    H2*    C  10           H2*        C  10  34.803  -7.321  19.995
  105   2HO*    C  10          2HO*        C  10  35.898  -6.862  22.221
  106    H1*    C  10           H1*        C  10  33.780  -9.426  21.333
  107   1H4     C  10          1H4         C  10  30.677  -8.825  15.709
  108   2H4     C  10          2H4         C  10  29.260  -8.389  16.635
  109    H5     C  10           H5         C  10  29.302  -8.020  19.018
  110    H6     C  10           H6         C  10  30.715  -7.979  21.018
  111   1H5*    U  11          1H5*        U  11  35.605  -2.602  18.651
  112   2H5*    U  11          2H5*        U  11  34.136  -3.519  18.272
  113    H4*    U  11           H4*        U  11  36.974  -4.235  17.463
  114    H3*    U  11           H3*        U  11  34.697  -2.905  16.000
  115    H2*    U  11           H2*        U  11  35.120  -4.185  14.067
  116   2HO*    U  11          2HO*        U  11  37.460  -3.822  14.259
  117    H1*    U  11           H1*        U  11  35.671  -6.584  15.253
  118    H3     U  11           H3         U  11  31.505  -6.310  13.126
  119    H5     U  11           H5         U  11  30.903  -5.955  17.283
  120    H6     U  11           H6         U  11  33.302  -5.693  17.540
  121   1H5*    C  12          1H5*        C  12  38.933  -1.003  13.611
  122   2H5*    C  12          2H5*        C  12  37.966   0.435  13.228
  123    H4*    C  12           H4*        C  12  39.285  -1.043  11.367
  124    H3*    C  12           H3*        C  12  36.883   0.738  11.129
  125    H2*    C  12           H2*        C  12  36.302  -0.094   9.012
  126   2HO*    C  12          2HO*        C  12  38.045  -0.138   7.783
  127    H1*    C  12           H1*        C  12  36.882  -2.732   9.369
  128   1H4     C  12          1H4         C  12  30.721  -1.448  10.877
  129   2H4     C  12          2H4         C  12  31.120  -2.006  12.486
  130    H5     C  12           H5         C  12  33.373  -2.540  13.178
  131    H6     C  12           H6         C  12  35.724  -2.614  12.481
  132   1H5*    U  13          1H5*        U  13  38.463   4.757   7.832
  133   2H5*    U  13          2H5*        U  13  36.896   4.119   8.375
  134    H4*    U  13           H4*        U  13  38.343   3.586   5.773
  135    H3*    U  13           H3*        U  13  35.731   4.894   6.510
  136    H2*    U  13           H2*        U  13  34.650   3.925   4.659
  137   2HO*    U  13          2HO*        U  13  36.342   2.662   3.200
  138    H1*    U  13           H1*        U  13  35.858   1.460   4.707
  139    H3     U  13           H3         U  13  31.418   1.160   5.966
  140    H5     U  13           H5         U  13  33.633   1.698   9.512
  141    H6     U  13           H6         U  13  35.579   2.188   8.145
  142   1H5*    G  14          1H5*        G  14  37.008   6.446   2.746
  143   2H5*    G  14          2H5*        G  14  37.053   8.206   2.522
  144    H4*    G  14           H4*        G  14  35.750   7.271   0.731
  145    H3*    G  14           H3*        G  14  34.017   8.596   2.847
  146    H2*    G  14           H2*        G  14  32.122   8.112   1.489
  147   2HO*    G  14          2HO*        G  14  33.160   6.823  -0.606
  148    H1*    G  14           H1*        G  14  32.839   5.542   0.908
  149    H8     G  14           H8         G  14  34.020   6.242   4.429
  150    H1     G  14           H1         G  14  27.760   4.941   4.102
  151   1H2     G  14          1H2         G  14  27.095   4.927   1.984
  152   2H2     G  14          2H2         G  14  28.188   5.233   0.653
  153   1H5*    G  15          1H5*        G  15  33.011  11.149  -0.519
  154   2H5*    G  15          2H5*        G  15  32.262  12.613   0.148
  155    H4*    G  15           H4*        G  15  30.793  10.772  -1.041
  156    H3*    G  15           H3*        G  15  29.969  12.099   1.583
  157    H2*    G  15           H2*        G  15  27.890  10.947   1.278
  158   2HO*    G  15          2HO*        G  15  28.539  11.126  -1.322
  159    H1*    G  15           H1*        G  15  29.073   8.571   0.558
  160    H8     G  15           H8         G  15  31.438   9.472   3.159
  161    H1     G  15           H1         G  15  25.651   8.453   5.708
  162   1H2     G  15          1H2         G  15  24.110   8.425   4.106
  163   2H2     G  15          2H2         G  15  24.506   8.653   2.418
  164   1H5*    U  16          1H5*        U  16  27.353  13.318  -0.952
  165   2H5*    U  16          2H5*        U  16  26.763  14.976  -1.177
  166    H4*    U  16           H4*        U  16  24.894  13.614  -0.539
  167    H3*    U  16           H3*        U  16  25.868  15.291   1.818
  168    H2*    U  16           H2*        U  16  23.991  14.465   3.020
  169   2HO*    U  16          2HO*        U  16  22.855  14.430   0.609
  170    H1*    U  16           H1*        U  16  24.169  11.879   2.043
  171    H3     U  16           H3         U  16  25.119  12.034   6.552
  172    H5     U  16           H5         U  16  28.770  12.747   4.569
  173    H6     U  16           H6         U  16  27.530  12.905   2.486
  174   1H5*    A  17          1H5*        A  17  22.081  17.792   1.096
  175   2H5*    A  17          2H5*        A  17  22.475  19.301   1.944
  176    H4*    A  17           H4*        A  17  20.649  17.667   2.911
  177    H3*    A  17           H3*        A  17  22.773  19.050   4.628
  178    H2*    A  17           H2*        A  17  21.770  17.987   6.499
  179   2HO*    A  17          2HO*        A  17  19.573  18.470   5.722
  180    H1*    A  17           H1*        A  17  21.303  15.556   5.291
  181    H8     A  17           H8         A  17  24.719  16.410   4.104
  182   1H6     A  17          1H6         A  17  26.821  15.039   9.761
  183   2H6     A  17          2H6         A  17  27.278  15.409   8.113
  184    H2     A  17           H2         A  17  22.338  15.182   9.942
  185   1H5*    U  18          1H5*        U  18  22.636  22.988   6.222
  186   2H5*    U  18          2H5*        U  18  24.067  21.994   6.551
  187    H4*    U  18           H4*        U  18  21.232  21.575   7.533
  188    H3*    U  18           H3*        U  18  23.840  22.324   8.832
  189    H2*    U  18           H2*        U  18  23.699  20.731  10.503
  190   2HO*    U  18          2HO*        U  18  21.068  19.970  10.078
  191    H1*    U  18           H1*        U  18  22.446  18.683   9.203
  192    H3     U  18           H3         U  18  26.809  17.755  10.375
  193    H5     U  18           H5         U  18  26.794  18.856   6.304
  194    H6     U  18           H6         U  18  24.523  19.670   6.608
  195   1H5*    U  19          1H5*        U  19  24.860  25.904  10.333
  196   2H5*    U  19          2H5*        U  19  24.808  24.315   9.542
  197    H4*    U  19           H4*        U  19  24.374  24.397  12.500
  198    H3*    U  19           H3*        U  19  27.064  24.908  11.184
  199    H2*    U  19           H2*        U  19  28.086  23.547  12.824
  200   2HO*    U  19          2HO*        U  19  26.890  22.842  14.681
  201    H1*    U  19           H1*        U  19  26.122  21.611  12.902
  202    H3     U  19           H3         U  19  30.080  20.058  10.991
  203    H5     U  19           H5         U  19  27.641  21.443   7.846
  204    H6     U  19           H6         U  19  26.157  22.409   9.503
  205   1H5*    A  20          1H5*        A  20  29.248  28.317  14.726
  206   2H5*    A  20          2H5*        A  20  30.362  27.015  14.264
  207    H4*    A  20           H4*        A  20  30.302  27.788  16.742
  208    H3*    A  20           H3*        A  20  30.909  25.228  15.618
  209    H2*    A  20           H2*        A  20  29.009  24.127  16.400
  210   2HO*    A  20          2HO*        A  20  29.811  24.062  19.003
  211    H1*    A  20           H1*        A  20  28.907  25.919  18.835
  212    H8     A  20           H8         A  20  26.785  24.393  15.955
  213   1H6     A  20          1H6         A  20  22.395  23.792  20.236
  214   2H6     A  20          2H6         A  20  22.852  23.462  18.579
  215    H2     A  20           H2         A  20  25.909  25.855  22.147
  216   1H5*    C  21          1H5*        C  21  34.308  22.221  17.861
  217   2H5*    C  21          2H5*        C  21  34.765  23.326  16.555
  218    H4*    C  21           H4*        C  21  32.906  20.973  16.506
  219    H3*    C  21           H3*        C  21  35.131  21.835  14.691
  220    H2*    C  21           H2*        C  21  33.904  21.399  12.809
  221   2HO*    C  21          2HO*        C  21  33.087  19.453  12.473
  222    H1*    C  21           H1*        C  21  31.340  20.985  14.191
  223   1H4     C  21          1H4         C  21  31.155  25.007   9.023
  224   2H4     C  21          2H4         C  21  29.958  25.767  10.045
  225    H5     C  21           H5         C  21  29.581  25.133  12.334
  226    H6     C  21           H6         C  21  30.255  23.614  14.134
  227   1H5*    G  22          1H5*        G  22  34.534  17.190  16.914
  228   2H5*    G  22          2H5*        G  22  33.609  18.674  16.612
  229    H4*    G  22           H4*        G  22  34.064  17.466  19.359
  230    H3*    G  22           H3*        G  22  31.815  17.075  17.378
  231    H2*    G  22           H2*        G  22  30.214  17.409  19.026
  232   2HO*    G  22          2HO*        G  22  30.397  16.401  20.857
  233    H1*    G  22           H1*        G  22  31.748  19.025  20.786
  234    H8     G  22           H8         G  22  30.240  21.095  20.937
  235    H1     G  22           H1         G  22  28.500  20.704  14.790
  236   1H2     G  22          1H2         G  22  29.557  19.033  13.799
  237   2H2     G  22          2H2         G  22  30.693  18.005  14.643
  238   1H5*    G  23          1H5*        G  23  30.703  14.429  19.857
  239   2H5*    G  23          2H5*        G  23  29.899  13.007  19.164
  240    H4*    G  23           H4*        G  23  28.462  14.842  20.322
  241    H3*    G  23           H3*        G  23  27.820  13.606  17.623
  242    H2*    G  23           H2*        G  23  25.933  15.015  17.439
  243   2HO*    G  23          2HO*        G  23  25.014  14.871  19.436
  244    H1*    G  23           H1*        G  23  27.089  17.303  18.372
  245    H8     G  23           H8         G  23  29.900  15.835  16.483
  246    H1     G  23           H1         G  23  25.353  18.049  12.566
  247   1H2     G  23          1H2         G  23  23.491  18.447  13.713
  248   2H2     G  23          2H2         G  23  23.373  18.169  15.436
  249   1H5*    U  24          1H5*        U  24  24.067  12.249  19.160
  250   2H5*    U  24          2H5*        U  24  23.809  10.747  18.255
  251    H4*    U  24           H4*        U  24  22.400  12.899  17.712
  252    H3*    U  24           H3*        U  24  23.638  11.158  15.531
  253    H2*    U  24           H2*        U  24  22.405  12.514  14.012
  254   2HO*    U  24          2HO*        U  24  21.000  13.501  16.293
  255    H1*    U  24           H1*        U  24  22.857  14.890  15.399
  256    H3     U  24           H3         U  24  24.812  14.632  11.158
  257    H5     U  24           H5         U  24  27.760  13.645  14.005
  258    H6     U  24           H6         U  24  26.005  13.519  15.681
  259   1H5*    A  25          1H5*        A  25  19.529   9.323  15.495
  260   2H5*    A  25          2H5*        A  25  19.663   7.721  14.744
  261    H4*    A  25           H4*        A  25  18.645   9.637  13.352
  262    H3*    A  25           H3*        A  25  20.909   7.917  12.303
  263    H2*    A  25           H2*        A  25  20.640   9.037  10.238
  264   2HO*    A  25          2HO*        A  25  18.816  10.292   9.772
  265    H1*    A  25           H1*        A  25  20.154  11.551  11.339
  266    H8     A  25           H8         A  25  23.043  10.400  13.312
  267   1H6     A  25          1H6         A  25  26.650  11.483   8.409
  268   2H6     A  25          2H6         A  25  26.622  11.140  10.124
  269    H2     A  25           H2         A  25  22.372  11.635   7.042
  270   1H5*    C  26          1H5*        C  26  17.613   6.359   9.534
  271   2H5*    C  26          2H5*        C  26  18.267   4.765   9.116
  272    H4*    C  26           H4*        C  26  17.988   6.594   7.266
  273    H3*    C  26           H3*        C  26  20.463   4.868   7.575
  274    H2*    C  26           H2*        C  26  21.245   5.879   5.581
  275   2HO*    C  26          2HO*        C  26  19.564   5.910   4.211
  276    H1*    C  26           H1*        C  26  20.405   8.440   6.200
  277   1H4     C  26          1H4         C  26  26.569   7.955   7.848
  278   2H4     C  26          2H4         C  26  26.083   7.509   9.469
  279    H5     C  26           H5         C  26  23.786   7.123  10.099
  280    H6     C  26           H6         C  26  21.465   7.065   9.306
  281   1H5*    C  27          1H5*        C  27  18.901   3.809   4.007
  282   2H5*    C  27          2H5*        C  27  18.915   2.110   3.506
  283    H4*    C  27           H4*        C  27  20.216   3.470   1.952
  284    H3*    C  27           H3*        C  27  22.031   1.738   3.698
  285    H2*    C  27           H2*        C  27  23.765   2.405   2.174
  286   2HO*    C  27          2HO*        C  27  22.035   2.315   0.342
  287    H1*    C  27           H1*        C  27  22.930   5.041   2.118
  288   1H4     C  27          1H4         C  27  27.596   4.442   6.467
  289   2H4     C  27          2H4         C  27  26.400   4.088   7.693
  290    H5     C  27           H5         C  27  24.044   3.869   7.214
  291    H6     C  27           H6         C  27  22.343   3.873   5.447
  292   1H5*    U  28          1H5*        U  28  24.241  -1.886   2.113
  293   2H5*    U  28          2H5*        U  28  24.437  -1.228   3.748
  294    H4*    U  28           H4*        U  28  25.978  -0.425   1.257
  295    H3*    U  28           H3*        U  28  26.701  -2.004   3.737
  296    H2*    U  28           H2*        U  28  28.852  -1.039   3.725
  297   2HO*    U  28          2HO*        U  28  28.285  -0.081   1.095
  298    H1*    U  28           H1*        U  28  28.112   1.510   3.000
  299    H3     U  28           H3         U  28  29.579   1.462   7.353
  300    H5     U  28           H5         U  28  25.466   0.555   7.520
  301    H6     U  28           H6         U  28  25.477   0.366   5.100
  302   1H5*    U  29          1H5*        U  29  27.343  -5.984   4.055
  303   2H5*    U  29          2H5*        U  29  27.388  -4.758   5.337
  304    H4*    U  29           H4*        U  29  29.108  -4.828   2.839
  305    H3*    U  29           H3*        U  29  29.638  -5.544   5.701
  306    H2*    U  29           H2*        U  29  31.662  -4.361   5.763
  307   2HO*    U  29          2HO*        U  29  32.344  -3.458   3.524
  308    H1*    U  29           H1*        U  29  30.958  -2.175   4.295
  309    H3     U  29           H3         U  29  31.349  -1.539   8.944
  310    H5     U  29           H5         U  29  27.254  -1.669   7.949
  311    H6     U  29           H6         U  29  27.883  -2.478   5.746
  312   1H5*    U  30          1H5*        U  30  31.297 -10.647   5.223
  313   2H5*    U  30          2H5*        U  30  30.804  -9.259   6.214
  314    H4*    U  30           H4*        U  30  33.520  -9.550   4.879
  315    H3*    U  30           H3*        U  30  32.591 -10.319   7.641
  316    H2*    U  30           H2*        U  30  34.488  -9.348   8.635
  317   2HO*    U  30          2HO*        U  30  35.926  -8.582   6.470
  318    H1*    U  30           H1*        U  30  34.693  -7.116   7.064
  319    H3     U  30           H3         U  30  33.149  -6.454  11.462
  320    H5     U  30           H5         U  30  29.853  -6.262   8.842
  321    H6     U  30           H6         U  30  31.280  -7.140   7.087
  322   1H5*    G  31          1H5*        G  31  36.190 -12.684   7.394
  323   2H5*    G  31          2H5*        G  31  35.890 -14.337   7.966
  324    H4*    G  31           H4*        G  31  37.599 -13.110   9.313
  325    H3*    G  31           H3*        G  31  35.054 -14.025  10.675
  326    H2*    G  31           H2*        G  31  35.900 -13.181  12.714
  327   2HO*    G  31          2HO*        G  31  37.952 -13.772  12.912
  328    H1*    G  31           H1*        G  31  37.026 -10.881  11.683
  329    H8     G  31           H8         G  31  33.759 -11.161   9.908
  330    H1     G  31           H1         G  31  33.044  -9.316  16.000
  331   1H2     G  31          1H2         G  31  34.940  -9.619  17.114
  332   2H2     G  31          2H2         G  31  36.379 -10.269  16.361
  333   1H5*    U  32          1H5*        U  32  37.876 -16.733  12.758
  334   2H5*    U  32          2H5*        U  32  36.941 -18.180  13.187
  335    H4*    U  32           H4*        U  32  37.775 -16.556  15.068
  336    H3*    U  32           H3*        U  32  34.992 -17.745  14.927
  337    H2*    U  32           H2*        U  32  34.500 -16.631  16.947
  338   2HO*    U  32          2HO*        U  32  36.540 -17.320  17.923
  339    H1*    U  32           H1*        U  32  35.962 -14.316  16.425
  340    H3     U  32           H3         U  32  31.386 -13.584  16.826
  341    H5     U  32           H5         U  32  32.211 -14.132  12.730
  342    H6     U  32           H6         U  32  34.441 -14.872  13.344
  343   1H5*    G  33          1H5*        G  33  34.303 -21.284  18.703
  344   2H5*    G  33          2H5*        G  33  33.506 -20.056  17.702
  345    H4*    G  33           H4*        G  33  34.740 -19.542  20.429
  346    H3*    G  33           H3*        G  33  31.889 -20.138  19.628
  347    H2*    G  33           H2*        G  33  31.114 -18.510  21.151
  348   2HO*    G  33          2HO*        G  33  32.448 -17.608  22.744
  349    H1*    G  33           H1*        G  33  32.972 -16.590  20.607
  350    H8     G  33           H8         G  33  32.532 -17.857  17.207
  351    H1     G  33           H1         G  33  27.194 -14.951  19.222
  352   1H2     G  33          1H2         G  33  27.279 -14.636  21.418
  353   2H2     G  33          2H2         G  33  28.647 -15.135  22.387
  354   1H5*    C  34          1H5*        C  34  30.878 -21.375  23.865
  355   2H5*    C  34          2H5*        C  34  29.998 -22.842  23.393
  356    H4*    C  34           H4*        C  34  28.690 -20.939  24.578
  357    H3*    C  34           H3*        C  34  27.741 -22.263  22.015
  358    H2*    C  34           H2*        C  34  25.846 -20.890  22.032
  359   2HO*    C  34          2HO*        C  34  26.430 -20.389  24.780
  360    H1*    C  34           H1*        C  34  27.071 -18.629  23.160
  361   1H4     C  34          1H4         C  34  26.128 -17.492  16.944
  362   2H4     C  34          2H4         C  34  27.690 -18.196  16.590
  363    H5     C  34           H5         C  34  29.067 -19.264  18.262
  364    H6     C  34           H6         C  34  29.226 -19.902  20.626
  365   1H5*    G  35          1H5*        G  35  23.749 -23.163  23.425
  366   2H5*    G  35          2H5*        G  35  23.741 -24.793  22.722
  367    H4*    G  35           H4*        G  35  22.214 -22.960  21.686
  368    H3*    G  35           H3*        G  35  24.041 -24.722  20.026
  369    H2*    G  35           H2*        G  35  23.172 -23.691  18.096
  370   2HO*    G  35          2HO*        G  35  20.973 -23.222  19.749
  371    H1*    G  35           H1*        G  35  22.927 -21.130  19.199
  372    H8     G  35           H8         G  35  26.335 -22.273  20.141
  373    H1     G  35           H1         G  35  25.916 -20.836  13.918
  374   1H2     G  35          1H2         G  35  23.794 -20.608  13.332
  375   2H2     G  35          2H2         G  35  22.477 -20.813  14.467
  376   1H5*    C  36          1H5*        C  36  19.723 -26.122  18.636
  377   2H5*    C  36          2H5*        C  36  20.113 -27.782  18.148
  378    H4*    C  36           H4*        C  36  19.053 -26.186  16.400
  379    H3*    C  36           H3*        C  36  21.534 -27.849  15.830
  380    H2*    C  36           H2*        C  36  21.411 -27.056  13.584
  381   2HO*    C  36          2HO*        C  36  19.503 -25.511  13.199
  382    H1*    C  36           H1*        C  36  20.971 -24.448  14.263
  383   1H4     C  36          1H4         C  36  27.320 -25.191  13.955
  384   2H4     C  36          2H4         C  36  27.348 -25.542  15.669
  385    H5     C  36           H5         C  36  25.350 -25.775  17.000
  386    H6     C  36           H6         C  36  22.899 -25.734  16.971
  387   1H5*    C  37          1H5*        C  37  18.868 -30.705  13.641
  388   2H5*    C  37          2H5*        C  37  19.788 -32.221  13.713
  389    H4*    C  37           H4*        C  37  19.742 -30.779  11.504
  390    H3*    C  37           H3*        C  37  22.287 -32.055  12.634
  391    H2*    C  37           H2*        C  37  23.392 -31.235  10.696
  392   2HO*    C  37          2HO*        C  37  22.048 -31.738   9.037
  393    H1*    C  37           H1*        C  37  22.089 -28.791  10.641
  394   1H4     C  37          1H4         C  37  27.843 -28.416  13.564
  395   2H4     C  37          2H4         C  37  26.990 -28.364  15.091
  396    H5     C  37           H5         C  37  24.600 -28.566  15.275
  397    H6     C  37           H6         C  37  22.519 -29.019  14.058
  398   1H5*    C  38          1H5*        C  38  21.903 -32.675   7.410
  399   2H5*    C  38          2H5*        C  38  21.650 -34.355   7.935
  400    H4*    C  38           H4*        C  38  23.354 -34.073   6.104
  401    H3*    C  38           H3*        C  38  24.013 -35.358   8.739
  402    H2*    C  38           H2*        C  38  26.267 -35.541   8.226
  403   2HO*    C  38          2HO*        C  38  26.858 -36.134   6.302
  404    H1*    C  38           H1*        C  38  26.564 -33.230   6.708
  405   1H4     C  38          1H4         C  38  28.943 -31.476  12.325
  406   2H4     C  38          2H4         C  38  27.376 -31.616  13.089
  407    H5     C  38           H5         C  38  25.407 -32.395  11.932
  408    H6     C  38           H6         C  38  24.521 -33.202   9.792
  409    H3T    C  38           H3T        C  38  22.866 -36.060   6.530
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  38.077 -29.119  11.446
    2   2H5*    G   1          2H5*        G   1  38.136 -27.385  11.066
    3    H4*    G   1           H4*        G   1  37.800 -28.724   9.035
    4    H3*    G   1           H3*        G   1  35.589 -26.874   9.911
    5    H2*    G   1           H2*        G   1  34.120 -27.662   8.261
    6   2HO*    G   1          2HO*        G   1  35.531 -29.337   6.770
    7    H1*    G   1           H1*        G   1  34.775 -30.318   8.308
    8    H8     G   1           H8         G   1  34.784 -28.981  11.862
    9    H1     G   1           H1         G   1  28.934 -30.404   9.682
   10   1H2     G   1          1H2         G   1  29.014 -30.824   7.505
   11   2H2     G   1          2H2         G   1  30.500 -30.745   6.586
   12    H5T    G   1           H5T        G   1  36.830 -27.728  12.855
   13   1H5*    G   2          1H5*        G   2  34.982 -26.915   5.962
   14   2H5*    G   2          2H5*        G   2  35.040 -25.248   5.357
   15    H4*    G   2           H4*        G   2  32.941 -26.295   4.710
   16    H3*    G   2           H3*        G   2  32.652 -24.164   6.854
   17    H2*    G   2           H2*        G   2  30.327 -24.502   6.805
   18   2HO*    G   2          2HO*        G   2  29.688 -26.071   4.878
   19    H1*    G   2           H1*        G   2  30.399 -27.257   6.265
   20    H8     G   2           H8         G   2  32.563 -25.826   9.122
   21    H1     G   2           H1         G   2  26.712 -27.744  10.879
   22   1H2     G   2          1H2         G   2  25.538 -28.336   9.092
   23   2H2     G   2          2H2         G   2  26.193 -28.267   7.471
   24   1H5*    G   3          1H5*        G   3  30.337 -22.000   3.364
   25   2H5*    G   3          2H5*        G   3  30.409 -20.336   3.975
   26    H4*    G   3           H4*        G   3  28.099 -21.566   3.724
   27    H3*    G   3           H3*        G   3  28.905 -19.852   6.105
   28    H2*    G   3           H2*        G   3  26.818 -20.313   7.068
   29   2HO*    G   3          2HO*        G   3  25.925 -19.987   4.688
   30    H1*    G   3           H1*        G   3  26.515 -22.919   6.060
   31    H8     G   3           H8         G   3  29.902 -22.390   7.694
   32    H1     G   3           H1         G   3  25.217 -23.668  11.867
   33   1H2     G   3          1H2         G   3  23.250 -23.614  10.842
   34   2H2     G   3          2H2         G   3  23.088 -23.268   9.134
   35   1H5*    C   4          1H5*        C   4  25.211 -18.015   4.738
   36   2H5*    C   4          2H5*        C   4  25.341 -16.248   4.870
   37    H4*    C   4           H4*        C   4  23.461 -17.258   6.191
   38    H3*    C   4           H3*        C   4  25.631 -15.727   7.648
   39    H2*    C   4           H2*        C   4  24.556 -16.150   9.683
   40   2HO*    C   4          2HO*        C   4  22.448 -15.514   8.484
   41    H1*    C   4           H1*        C   4  23.427 -18.648   8.986
   42   1H4     C   4          1H4         C   4  28.087 -19.989  13.116
   43   2H4     C   4          2H4         C   4  29.286 -19.746  11.866
   44    H5     C   4           H5         C   4  28.748 -18.989   9.647
   45    H6     C   4           H6         C   4  26.946 -18.258   8.152
   46   1H5*    U   5          1H5*        U   5  22.624 -14.693   4.372
   47   2H5*    U   5          2H5*        U   5  22.415 -13.100   3.612
   48    H4*    U   5           H4*        U   5  20.409 -12.679   4.791
   49    H3*    U   5           H3*        U   5  21.448 -13.997   6.997
   50    H2*    U   5           H2*        U   5  21.084 -16.207   6.219
   51   2HO*    U   5          2HO*        U   5  19.851 -16.274   8.023
   52    H1*    U   5           H1*        U   5  18.448 -15.399   4.991
   53    H3     U   5           H3         U   5  19.271 -20.092   4.619
   54    H5     U   5           H5         U   5  20.524 -18.086   1.129
   55    H6     U   5           H6         U   5  20.296 -15.990   2.328
   56   1H5*    A   6          1H5*        A   6  17.486 -13.346   7.674
   57   2H5*    A   6          2H5*        A   6  16.186 -12.170   7.405
   58    H4*    A   6           H4*        A   6  15.971 -11.683   9.618
   59    H3*    A   6           H3*        A   6  18.961 -12.006   9.805
   60    H2*    A   6           H2*        A   6  18.831 -12.704  12.037
   61   2HO*    A   6          2HO*        A   6  16.143 -12.284  12.475
   62    H1*    A   6           H1*        A   6  16.537 -14.208  11.895
   63    H8     A   6           H8         A   6  19.297 -14.281   9.141
   64   1H6     A   6          1H6         A   6  21.013 -19.594  11.781
   65   2H6     A   6          2H6         A   6  21.305 -18.483  10.462
   66    H2     A   6           H2         A   6  17.641 -17.873  14.202
   67   1H5*    G   7          1H5*        G   7  20.050  -9.274  14.166
   68   2H5*    G   7          2H5*        G   7  20.439 -10.747  13.254
   69    H4*    G   7           H4*        G   7  18.126 -10.763  15.178
   70    H3*    G   7           H3*        G   7  21.035 -10.772  15.975
   71    H2*    G   7           H2*        G   7  20.654 -12.560  17.469
   72   2HO*    G   7          2HO*        G   7  17.849 -12.271  17.052
   73    H1*    G   7           H1*        G   7  19.012 -14.045  15.875
   74    H8     G   7           H8         G   7  21.043 -13.348  13.100
   75    H1     G   7           H1         G   7  24.760 -15.970  17.605
   76   1H2     G   7          1H2         G   7  23.735 -15.895  19.573
   77   2H2     G   7          2H2         G   7  22.142 -15.205  19.777
   78   1H5*    C   8          1H5*        C   8  19.942 -10.240  19.440
   79   2H5*    C   8          2H5*        C   8  20.239  -8.692  20.255
   80    H4*    C   8           H4*        C   8  21.342 -10.242  21.613
   81    H3*    C   8           H3*        C   8  23.406  -9.113  19.689
   82    H2*    C   8           H2*        C   8  25.007 -10.345  20.930
   83   2HO*    C   8          2HO*        C   8  24.687 -11.023  22.971
   84    H1*    C   8           H1*        C   8  23.430 -12.604  21.245
   85   1H4     C   8          1H4         C   8  27.394 -13.524  16.299
   86   2H4     C   8          2H4         C   8  26.125 -12.985  15.222
   87    H5     C   8           H5         C   8  24.018 -12.107  15.998
   88    H6     C   8           H6         C   8  22.689 -11.525  17.973
   89   1H5*    A   9          1H5*        A   9  25.404  -7.718  23.609
   90   2H5*    A   9          2H5*        A   9  26.420  -6.474  22.858
   91    H4*    A   9           H4*        A   9  27.501  -8.587  23.997
   92    H3*    A   9           H3*        A   9  28.425  -7.652  21.236
   93    H2*    A   9           H2*        A   9  30.296  -9.135  21.692
   94   2HO*    A   9          2HO*        A   9  29.410  -8.834  24.312
   95    H1*    A   9           H1*        A   9  28.597 -11.144  22.439
   96    H8     A   9           H8         A   9  26.685  -9.373  19.770
   97   1H6     A   9          1H6         A   9  30.412 -11.947  15.578
   98   2H6     A   9          2H6         A   9  28.962 -10.998  15.828
   99    H2     A   9           H2         A   9  32.129 -12.782  19.655
  100   1H5*    C  10          1H5*        C  10  31.587  -5.251  23.664
  101   2H5*    C  10          2H5*        C  10  32.322  -4.119  22.512
  102    H4*    C  10           H4*        C  10  33.733  -6.104  23.493
  103    H3*    C  10           H3*        C  10  33.775  -5.262  20.554
  104    H2*    C  10           H2*        C  10  35.455  -6.924  20.232
  105   2HO*    C  10          2HO*        C  10  36.201  -6.419  22.614
  106    H1*    C  10           H1*        C  10  34.107  -8.889  21.496
  107   1H4     C  10          1H4         C  10  31.914  -8.407  15.448
  108   2H4     C  10          2H4         C  10  30.407  -7.839  16.131
  109    H5     C  10           H5         C  10  30.123  -7.347  18.474
  110    H6     C  10           H6         C  10  31.227  -7.283  20.661
  111   1H5*    U  11          1H5*        U  11  37.629  -3.863  20.078
  112   2H5*    U  11          2H5*        U  11  37.197  -2.310  19.344
  113    H4*    U  11           H4*        U  11  38.288  -4.242  17.918
  114    H3*    U  11           H3*        U  11  36.008  -2.452  16.985
  115    H2*    U  11           H2*        U  11  36.148  -3.563  14.890
  116   2HO*    U  11          2HO*        U  11  37.900  -4.840  14.319
  117    H1*    U  11           H1*        U  11  36.526  -6.096  15.918
  118    H3     U  11           H3         U  11  32.366  -5.466  13.908
  119    H5     U  11           H5         U  11  31.877  -4.990  18.068
  120    H6     U  11           H6         U  11  34.294  -4.963  18.281
  121   1H5*    C  12          1H5*        C  12  39.709  -2.730  13.585
  122   2H5*    C  12          2H5*        C  12  39.608  -0.978  13.320
  123    H4*    C  12           H4*        C  12  39.584  -2.526  11.247
  124    H3*    C  12           H3*        C  12  37.513  -0.344  11.686
  125    H2*    C  12           H2*        C  12  36.502  -0.933   9.626
  126   2HO*    C  12          2HO*        C  12  38.568  -1.102   8.505
  127    H1*    C  12           H1*        C  12  36.783  -3.663   9.886
  128   1H4     C  12          1H4         C  12  30.857  -2.407  11.845
  129   2H4     C  12          2H4         C  12  31.454  -1.758  13.355
  130    H5     C  12           H5         C  12  33.808  -1.556  13.867
  131    H6     C  12           H6         C  12  36.085  -1.890  13.016
  132   1H5*    U  13          1H5*        U  13  37.752   3.114   8.182
  133   2H5*    U  13          2H5*        U  13  36.222   2.458   8.804
  134    H4*    U  13           H4*        U  13  37.543   1.844   6.144
  135    H3*    U  13           H3*        U  13  35.070   3.375   6.941
  136    H2*    U  13           H2*        U  13  33.885   2.498   5.106
  137   2HO*    U  13          2HO*        U  13  35.535   1.086   3.668
  138    H1*    U  13           H1*        U  13  34.922  -0.057   5.142
  139    H3     U  13           H3         U  13  30.468  -0.109   6.350
  140    H5     U  13           H5         U  13  32.654   0.392   9.921
  141    H6     U  13           H6         U  13  34.643   0.748   8.575
  142   1H5*    G  14          1H5*        G  14  36.413   4.855   3.150
  143   2H5*    G  14          2H5*        G  14  36.523   6.612   2.921
  144    H4*    G  14           H4*        G  14  35.142   5.697   1.167
  145    H3*    G  14           H3*        G  14  33.521   7.152   3.289
  146    H2*    G  14           H2*        G  14  31.588   6.762   1.949
  147   2HO*    G  14          2HO*        G  14  32.537   5.384  -0.131
  148    H1*    G  14           H1*        G  14  32.164   4.147   1.404
  149    H8     G  14           H8         G  14  33.381   4.841   4.913
  150    H1     G  14           H1         G  14  27.061   3.865   4.605
  151   1H2     G  14          1H2         G  14  26.396   3.851   2.486
  152   2H2     G  14          2H2         G  14  27.503   4.077   1.151
  153   1H5*    G  15          1H5*        G  15  32.616   9.696  -0.138
  154   2H5*    G  15          2H5*        G  15  31.952  11.213   0.505
  155    H4*    G  15           H4*        G  15  30.384   9.452  -0.676
  156    H3*    G  15           H3*        G  15  29.627  10.862   1.924
  157    H2*    G  15           H2*        G  15  27.483   9.834   1.629
  158   2HO*    G  15          2HO*        G  15  27.945  10.087  -0.906
  159    H1*    G  15           H1*        G  15  28.518   7.378   0.964
  160    H8     G  15           H8         G  15  30.943   8.221   3.540
  161    H1     G  15           H1         G  15  25.121   7.532   6.119
  162   1H2     G  15          1H2         G  15  23.576   7.539   4.520
  163   2H2     G  15          2H2         G  15  23.980   7.709   2.826
  164   1H5*    U  16          1H5*        U  16  27.165  12.340  -0.761
  165   2H5*    U  16          2H5*        U  16  26.699  14.044  -0.935
  166    H4*    U  16           H4*        U  16  24.733  12.768  -0.374
  167    H3*    U  16           H3*        U  16  25.755  14.386   2.002
  168    H2*    U  16           H2*        U  16  23.822  13.657   3.179
  169   2HO*    U  16          2HO*        U  16  22.482  12.179   1.427
  170    H1*    U  16           H1*        U  16  23.876  11.064   2.225
  171    H3     U  16           H3         U  16  24.834  11.219   6.734
  172    H5     U  16           H5         U  16  28.518  11.699   4.742
  173    H6     U  16           H6         U  16  27.288  11.904   2.658
  174   1H5*    A  17          1H5*        A  17  22.106  17.070   1.253
  175   2H5*    A  17          2H5*        A  17  22.592  18.564   2.080
  176    H4*    A  17           H4*        A  17  20.672  17.054   3.070
  177    H3*    A  17           H3*        A  17  22.871  18.336   4.780
  178    H2*    A  17           H2*        A  17  21.801  17.352   6.656
  179   2HO*    A  17          2HO*        A  17  19.639  17.955   5.843
  180    H1*    A  17           H1*        A  17  21.199  14.938   5.475
  181    H8     A  17           H8         A  17  24.660  15.571   4.286
  182   1H6     A  17          1H6         A  17  26.668  14.164   9.969
  183   2H6     A  17          2H6         A  17  27.148  14.482   8.317
  184    H2     A  17           H2         A  17  22.201  14.577  10.136
  185   1H5*    U  18          1H5*        U  18  21.481  22.821   7.147
  186   2H5*    U  18          2H5*        U  18  22.792  21.672   6.826
  187    H4*    U  18           H4*        U  18  20.527  21.296   8.819
  188    H3*    U  18           H3*        U  18  23.447  22.080   9.130
  189    H2*    U  18           H2*        U  18  23.725  20.625  10.933
  190   2HO*    U  18          2HO*        U  18  21.009  20.009  11.181
  191    H1*    U  18           H1*        U  18  22.129  18.563  10.086
  192    H3     U  18           H3         U  18  26.539  17.335  10.224
  193    H5     U  18           H5         U  18  25.754  18.594   6.276
  194    H6     U  18           H6         U  18  23.647  19.516   7.065
  195   1H5*    U  19          1H5*        U  19  25.644  24.142  11.134
  196   2H5*    U  19          2H5*        U  19  25.096  22.511  10.694
  197    H4*    U  19           H4*        U  19  25.226  22.898  13.594
  198    H3*    U  19           H3*        U  19  27.765  23.333  11.980
  199    H2*    U  19           H2*        U  19  28.953  22.067  13.593
  200   2HO*    U  19          2HO*        U  19  27.817  21.385  15.555
  201    H1*    U  19           H1*        U  19  27.052  20.115  13.919
  202    H3     U  19           H3         U  19  30.688  18.411  11.618
  203    H5     U  19           H5         U  19  28.091  20.008   8.709
  204    H6     U  19           H6         U  19  26.786  20.991  10.500
  205   1H5*    A  20          1H5*        A  20  30.354  26.707  15.391
  206   2H5*    A  20          2H5*        A  20  31.348  25.324  14.889
  207    H4*    A  20           H4*        A  20  31.457  26.137  17.362
  208    H3*    A  20           H3*        A  20  31.921  23.561  16.265
  209    H2*    A  20           H2*        A  20  30.010  22.540  17.133
  210   2HO*    A  20          2HO*        A  20  32.093  22.118  18.595
  211    H1*    A  20           H1*        A  20  30.059  24.361  19.546
  212    H8     A  20           H8         A  20  27.790  22.888  16.753
  213   1H6     A  20          1H6         A  20  23.520  22.497  21.177
  214   2H6     A  20          2H6         A  20  23.910  22.132  19.511
  215    H2     A  20           H2         A  20  27.167  24.446  22.952
  216   1H5*    C  21          1H5*        C  21  35.288  20.481  18.361
  217   2H5*    C  21          2H5*        C  21  35.716  21.570  17.033
  218    H4*    C  21           H4*        C  21  33.749  19.300  17.085
  219    H3*    C  21           H3*        C  21  35.957  20.002  15.178
  220    H2*    C  21           H2*        C  21  34.641  19.606  13.349
  221   2HO*    C  21          2HO*        C  21  33.692  17.709  13.080
  222    H1*    C  21           H1*        C  21  32.111  19.360  14.835
  223   1H4     C  21          1H4         C  21  31.944  23.283   9.590
  224   2H4     C  21          2H4         C  21  30.828  24.127  10.640
  225    H5     C  21           H5         C  21  30.506  23.559  12.954
  226    H6     C  21           H6         C  21  31.167  22.041  14.761
  227   1H5*    G  22          1H5*        G  22  35.302  15.403  17.526
  228   2H5*    G  22          2H5*        G  22  34.415  16.911  17.234
  229    H4*    G  22           H4*        G  22  35.007  15.783  19.989
  230    H3*    G  22           H3*        G  22  32.648  15.382  18.153
  231    H2*    G  22           H2*        G  22  31.138  15.847  19.851
  232   2HO*    G  22          2HO*        G  22  31.360  14.881  21.698
  233    H1*    G  22           H1*        G  22  32.818  17.455  21.489
  234    H8     G  22           H8         G  22  31.314  19.520  21.689
  235    H1     G  22           H1         G  22  29.437  19.185  15.579
  236   1H2     G  22          1H2         G  22  30.441  17.498  14.561
  237   2H2     G  22          2H2         G  22  31.574  16.446  15.377
  238   1H5*    G  23          1H5*        G  23  30.205  11.660  18.230
  239   2H5*    G  23          2H5*        G  23  30.000  12.668  16.785
  240    H4*    G  23           H4*        G  23  29.237  13.352  19.641
  241    H3*    G  23           H3*        G  23  27.672  12.576  17.209
  242    H2*    G  23           H2*        G  23  26.105  14.293  17.491
  243   2HO*    G  23          2HO*        G  23  26.885  14.083  20.150
  244    H1*    G  23           H1*        G  23  27.752  16.304  18.302
  245    H8     G  23           H8         G  23  29.994  14.814  15.845
  246    H1     G  23           H1         G  23  24.943  17.471  12.954
  247   1H2     G  23          1H2         G  23  23.343  17.875  14.444
  248   2H2     G  23          2H2         G  23  23.524  17.496  16.141
  249   1H5*    U  24          1H5*        U  24  24.075  11.463  19.261
  250   2H5*    U  24          2H5*        U  24  23.765  10.001  18.307
  251    H4*    U  24           H4*        U  24  22.284  12.129  17.960
  252    H3*    U  24           H3*        U  24  23.345  10.464  15.620
  253    H2*    U  24           H2*        U  24  22.078  11.926  14.251
  254   2HO*    U  24          2HO*        U  24  20.325  11.891  16.045
  255    H1*    U  24           H1*        U  24  22.703  14.254  15.584
  256    H3     U  24           H3         U  24  24.631  13.850  11.356
  257    H5     U  24           H5         U  24  27.526  12.690  14.191
  258    H6     U  24           H6         U  24  25.778  12.691  15.878
  259   1H5*    A  25          1H5*        A  25  19.208   8.901  15.721
  260   2H5*    A  25          2H5*        A  25  19.237   7.291  14.976
  261    H4*    A  25           H4*        A  25  18.266   9.232  13.598
  262    H3*    A  25           H3*        A  25  20.426   7.410  12.517
  263    H2*    A  25           H2*        A  25  20.186   8.530  10.450
  264   2HO*    A  25          2HO*        A  25  18.419   9.869   9.997
  265    H1*    A  25           H1*        A  25  19.848  11.075  11.525
  266    H8     A  25           H8         A  25  22.676   9.800  13.509
  267   1H6     A  25          1H6         A  25  26.322  10.601   8.580
  268   2H6     A  25          2H6         A  25  26.280  10.291  10.301
  269    H2     A  25           H2         A  25  22.054  10.963   7.220
  270   1H5*    C  26          1H5*        C  26  17.022   5.851   9.991
  271   2H5*    C  26          2H5*        C  26  17.566   4.219   9.567
  272    H4*    C  26           H4*        C  26  17.385   6.038   7.711
  273    H3*    C  26           H3*        C  26  19.778   4.207   8.031
  274    H2*    C  26           H2*        C  26  20.611   5.165   6.034
  275   2HO*    C  26          2HO*        C  26  18.047   6.370   5.696
  276    H1*    C  26           H1*        C  26  19.875   7.768   6.623
  277   1H4     C  26          1H4         C  26  26.018   7.035   8.266
  278   2H4     C  26          2H4         C  26  25.515   6.651   9.897
  279    H5     C  26           H5         C  26  23.205   6.385  10.538
  280    H6     C  26           H6         C  26  20.882   6.414   9.748
  281   1H5*    C  27          1H5*        C  27  18.152   3.145   4.485
  282   2H5*    C  27          2H5*        C  27  18.094   1.436   4.020
  283    H4*    C  27           H4*        C  27  19.465   2.711   2.450
  284    H3*    C  27           H3*        C  27  21.190   0.927   4.240
  285    H2*    C  27           H2*        C  27  22.959   1.486   2.714
  286   2HO*    C  27          2HO*        C  27  21.208   1.457   0.882
  287    H1*    C  27           H1*        C  27  22.243   4.156   2.603
  288   1H4     C  27          1H4         C  27  26.865   3.428   6.980
  289   2H4     C  27          2H4         C  27  25.648   3.162   8.209
  290    H5     C  27           H5         C  27  23.287   3.049   7.727
  291    H6     C  27           H6         C  27  21.593   3.095   5.952
  292   1H5*    U  28          1H5*        U  28  23.061  -2.967   2.461
  293   2H5*    U  28          2H5*        U  28  23.380  -2.467   4.132
  294    H4*    U  28           H4*        U  28  24.920  -1.722   1.631
  295    H3*    U  28           H3*        U  28  25.568  -3.293   4.137
  296    H2*    U  28           H2*        U  28  27.772  -2.459   4.099
  297   2HO*    U  28          2HO*        U  28  27.884  -2.805   1.713
  298    H1*    U  28           H1*        U  28  27.194   0.118   3.356
  299    H3     U  28           H3         U  28  28.597   0.042   7.724
  300    H5     U  28           H5         U  28  24.443  -0.660   7.852
  301    H6     U  28           H6         U  28  24.471  -0.868   5.433
  302   1H5*    U  29          1H5*        U  29  27.393  -7.216   4.351
  303   2H5*    U  29          2H5*        U  29  27.700  -6.159   5.742
  304    H4*    U  29           H4*        U  29  29.195  -6.231   3.111
  305    H3*    U  29           H3*        U  29  29.852  -7.066   5.907
  306    H2*    U  29           H2*        U  29  31.954  -6.039   5.895
  307   2HO*    U  29          2HO*        U  29  32.660  -5.158   3.688
  308    H1*    U  29           H1*        U  29  31.365  -3.766   4.507
  309    H3     U  29           H3         U  29  32.038  -3.191   9.114
  310    H5     U  29           H5         U  29  27.888  -3.127   8.377
  311    H6     U  29           H6         U  29  28.342  -3.934   6.131
  312   1H5*    U  30          1H5*        U  30  32.792 -10.707   6.433
  313   2H5*    U  30          2H5*        U  30  32.480  -9.247   7.394
  314    H4*    U  30           H4*        U  30  34.981  -9.773   5.747
  315    H3*    U  30           H3*        U  30  34.357 -10.248   8.650
  316    H2*    U  30           H2*        U  30  36.295  -9.165   9.407
  317   2HO*    U  30          2HO*        U  30  37.839  -8.515   7.524
  318    H1*    U  30           H1*        U  30  36.393  -7.094   7.640
  319    H3     U  30           H3         U  30  34.939  -6.215  12.068
  320    H5     U  30           H5         U  30  31.656  -5.952   9.436
  321    H6     U  30           H6         U  30  33.034  -6.974   7.720
  322   1H5*    G  31          1H5*        G  31  37.749 -12.363   8.249
  323   2H5*    G  31          2H5*        G  31  37.757 -14.124   8.472
  324    H4*    G  31           H4*        G  31  39.311 -13.273  10.051
  325    H3*    G  31           H3*        G  31  36.670 -14.028  11.296
  326    H2*    G  31           H2*        G  31  37.380 -13.234  13.401
  327   2HO*    G  31          2HO*        G  31  39.872 -12.436  13.097
  328    H1*    G  31           H1*        G  31  38.644 -10.964  12.573
  329    H8     G  31           H8         G  31  35.677 -11.227  10.295
  330    H1     G  31           H1         G  31  34.089  -9.254  16.178
  331   1H2     G  31          1H2         G  31  35.795  -9.551  17.567
  332   2H2     G  31          2H2         G  31  37.323 -10.227  17.048
  333   1H5*    U  32          1H5*        U  32  39.096 -16.655  13.850
  334   2H5*    U  32          2H5*        U  32  38.028 -18.041  14.143
  335    H4*    U  32           H4*        U  32  38.635 -16.401  16.104
  336    H3*    U  32           H3*        U  32  35.854 -17.481  15.554
  337    H2*    U  32           H2*        U  32  35.114 -16.301  17.459
  338   2HO*    U  32          2HO*        U  32  36.713 -16.951  18.899
  339    H1*    U  32           H1*        U  32  36.750 -14.066  17.125
  340    H3     U  32           H3         U  32  32.240 -13.034  16.838
  341    H5     U  32           H5         U  32  33.556 -13.872  12.922
  342    H6     U  32           H6         U  32  35.633 -14.700  13.867
  343   1H5*    G  33          1H5*        G  33  34.340 -20.806  19.167
  344   2H5*    G  33          2H5*        G  33  33.793 -19.498  18.099
  345    H4*    G  33           H4*        G  33  34.592 -19.168  21.013
  346    H3*    G  33           H3*        G  33  31.792 -19.435  19.762
  347    H2*    G  33           H2*        G  33  31.025 -17.777  21.276
  348   2HO*    G  33          2HO*        G  33  32.525 -18.763  22.997
  349    H1*    G  33           H1*        G  33  33.054 -16.038  20.960
  350    H8     G  33           H8         G  33  33.066 -17.368  17.545
  351    H1     G  33           H1         G  33  27.727 -14.012  18.647
  352   1H2     G  33          1H2         G  33  27.495 -13.637  20.823
  353   2H2     G  33          2H2         G  33  28.654 -14.208  22.003
  354   1H5*    C  34          1H5*        C  34  30.351 -19.439  23.459
  355   2H5*    C  34          2H5*        C  34  29.577 -21.014  23.724
  356    H4*    C  34           H4*        C  34  27.991 -19.241  24.219
  357    H3*    C  34           H3*        C  34  27.410 -20.767  21.662
  358    H2*    C  34           H2*        C  34  25.501 -19.450  21.328
  359   2HO*    C  34          2HO*        C  34  25.719 -18.845  24.102
  360    H1*    C  34           H1*        C  34  26.525 -17.070  22.383
  361   1H4     C  34          1H4         C  34  26.550 -16.467  16.036
  362   2H4     C  34          2H4         C  34  28.078 -17.313  15.953
  363    H5     C  34           H5         C  34  29.147 -18.304  17.879
  364    H6     C  34           H6         C  34  28.962 -18.710  20.291
  365   1H5*    G  35          1H5*        G  35  23.571 -22.085  23.036
  366   2H5*    G  35          2H5*        G  35  23.549 -23.684  22.265
  367    H4*    G  35           H4*        G  35  22.047 -21.747  21.328
  368    H3*    G  35           H3*        G  35  23.741 -23.579  19.610
  369    H2*    G  35           H2*        G  35  22.893 -22.484  17.709
  370   2HO*    G  35          2HO*        G  35  20.990 -21.409  17.659
  371    H1*    G  35           H1*        G  35  22.798 -19.925  18.838
  372    H8     G  35           H8         G  35  26.164 -21.200  19.716
  373    H1     G  35           H1         G  35  25.695 -19.812  13.486
  374   1H2     G  35          1H2         G  35  23.573 -19.507  12.933
  375   2H2     G  35          2H2         G  35  22.270 -19.649  14.092
  376   1H5*    C  36          1H5*        C  36  19.286 -24.853  18.404
  377   2H5*    C  36          2H5*        C  36  19.622 -26.516  17.888
  378    H4*    C  36           H4*        C  36  18.505 -24.890  16.205
  379    H3*    C  36           H3*        C  36  20.896 -26.633  15.537
  380    H2*    C  36           H2*        C  36  20.766 -25.823  13.303
  381   2HO*    C  36          2HO*        C  36  18.902 -24.193  12.979
  382    H1*    C  36           H1*        C  36  20.449 -23.202  13.978
  383   1H4     C  36          1H4         C  36  26.758 -24.226  13.637
  384   2H4     C  36          2H4         C  36  26.781 -24.552  15.356
  385    H5     C  36           H5         C  36  24.784 -24.681  16.702
  386    H6     C  36           H6         C  36  22.338 -24.535  16.686
  387   1H5*    C  37          1H5*        C  37  18.090 -29.366  13.394
  388   2H5*    C  37          2H5*        C  37  18.945 -30.920  13.485
  389    H4*    C  37           H4*        C  37  18.950 -29.510  11.255
  390    H3*    C  37           H3*        C  37  21.441 -30.878  12.390
  391    H2*    C  37           H2*        C  37  22.571 -30.134  10.436
  392   2HO*    C  37          2HO*        C  37  20.682 -28.908   9.006
  393    H1*    C  37           H1*        C  37  21.374 -27.637  10.351
  394   1H4     C  37          1H4         C  37  27.154 -27.471  13.243
  395   2H4     C  37          2H4         C  37  26.311 -27.355  14.773
  396    H5     C  37           H5         C  37  23.915 -27.446  14.968
  397    H6     C  37           H6         C  37  21.811 -27.827  13.767
  398   1H5*    C  38          1H5*        C  38  21.201 -31.085   7.447
  399   2H5*    C  38          2H5*        C  38  20.600 -32.733   7.732
  400    H4*    C  38           H4*        C  38  22.183 -32.749   5.886
  401    H3*    C  38           H3*        C  38  22.970 -34.112   8.437
  402    H2*    C  38           H2*        C  38  25.165 -34.468   7.773
  403   2HO*    C  38          2HO*        C  38  24.065 -34.926   5.441
  404    H1*    C  38           H1*        C  38  25.607 -32.172   6.319
  405   1H4     C  38          1H4         C  38  28.052 -30.603  11.958
  406   2H4     C  38          2H4         C  38  26.480 -30.679  12.722
  407    H5     C  38           H5         C  38  24.476 -31.342  11.554
  408    H6     C  38           H6         C  38  23.551 -32.067   9.402
  409    H3T    C  38           H3T        C  38  22.023 -34.674   5.894
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  38.368 -29.548  11.660
    2   2H5*    G   1          2H5*        G   1  38.590 -27.819  11.324
    3    H4*    G   1           H4*        G   1  38.223 -29.018   9.239
    4    H3*    G   1           H3*        G   1  36.037 -27.148  10.137
    5    H2*    G   1           H2*        G   1  34.605 -27.819   8.406
    6   2HO*    G   1          2HO*        G   1  36.167 -29.467   6.940
    7    H1*    G   1           H1*        G   1  35.195 -30.493   8.348
    8    H8     G   1           H8         G   1  35.090 -29.278  11.951
    9    H1     G   1           H1         G   1  29.314 -30.568   9.506
   10   1H2     G   1          1H2         G   1  29.474 -30.923   7.321
   11   2H2     G   1          2H2         G   1  30.995 -30.831   6.463
   12    H5T    G   1           H5T        G   1  37.137 -27.699  12.856
   13   1H5*    G   2          1H5*        G   2  35.626 -26.956   6.195
   14   2H5*    G   2          2H5*        G   2  35.737 -25.270   5.655
   15    H4*    G   2           H4*        G   2  33.657 -26.249   4.869
   16    H3*    G   2           H3*        G   2  33.274 -24.218   7.100
   17    H2*    G   2           H2*        G   2  30.952 -24.526   6.899
   18   2HO*    G   2          2HO*        G   2  31.148 -26.034   4.530
   19    H1*    G   2           H1*        G   2  31.035 -27.256   6.249
   20    H8     G   2           H8         G   2  33.065 -25.988   9.274
   21    H1     G   2           H1         G   2  27.098 -27.863  10.638
   22   1H2     G   2          1H2         G   2  26.008 -28.352   8.768
   23   2H2     G   2          2H2         G   2  26.748 -28.225   7.189
   24   1H5*    G   3          1H5*        G   3  31.139 -21.872   3.621
   25   2H5*    G   3          2H5*        G   3  31.205 -20.237   4.307
   26    H4*    G   3           H4*        G   3  28.892 -21.421   3.900
   27    H3*    G   3           H3*        G   3  29.606 -19.827   6.390
   28    H2*    G   3           H2*        G   3  27.465 -20.295   7.226
   29   2HO*    G   3          2HO*        G   3  26.389 -21.417   4.933
   30    H1*    G   3           H1*        G   3  27.184 -22.850   6.088
   31    H8     G   3           H8         G   3  30.490 -22.481   7.906
   32    H1     G   3           H1         G   3  25.574 -23.762  11.802
   33   1H2     G   3          1H2         G   3  23.660 -23.604  10.689
   34   2H2     G   3          2H2         G   3  23.592 -23.187   8.992
   35   1H5*    C   4          1H5*        C   4  25.816 -17.841   4.911
   36   2H5*    C   4          2H5*        C   4  26.018 -16.130   5.342
   37    H4*    C   4           H4*        C   4  24.013 -17.424   6.336
   38    H3*    C   4           H3*        C   4  25.915 -15.771   8.008
   39    H2*    C   4           H2*        C   4  24.740 -16.368   9.941
   40   2HO*    C   4          2HO*        C   4  22.546 -17.506   9.426
   41    H1*    C   4           H1*        C   4  23.892 -18.925   9.076
   42   1H4     C   4          1H4         C   4  28.339 -19.951  13.528
   43   2H4     C   4          2H4         C   4  29.596 -19.672  12.343
   44    H5     C   4           H5         C   4  29.150 -18.969  10.087
   45    H6     C   4           H6         C   4  27.406 -18.340   8.482
   46   1H5*    U   5          1H5*        U   5  22.573 -15.193   5.506
   47   2H5*    U   5          2H5*        U   5  22.570 -14.163   4.058
   48    H4*    U   5           H4*        U   5  20.740 -12.865   4.875
   49    H3*    U   5           H3*        U   5  21.612 -13.243   7.457
   50    H2*    U   5           H2*        U   5  20.892 -15.491   7.694
   51   2HO*    U   5          2HO*        U   5  19.102 -15.442   8.954
   52    H1*    U   5           H1*        U   5  18.359 -14.911   6.162
   53    H3     U   5           H3         U   5  17.999 -19.340   7.584
   54    H5     U   5           H5         U   5  20.414 -19.290   4.129
   55    H6     U   5           H6         U   5  20.522 -16.875   4.317
   56   1H5*    A   6          1H5*        A   6  20.802  -9.270   9.489
   57   2H5*    A   6          2H5*        A   6  21.593 -10.673  10.231
   58    H4*    A   6           H4*        A   6  18.719 -10.378   9.351
   59    H3*    A   6           H3*        A   6  20.084 -10.874  11.985
   60    H2*    A   6           H2*        A   6  18.465 -12.436  12.634
   61   2HO*    A   6          2HO*        A   6  16.874 -11.055  10.779
   62    H1*    A   6           H1*        A   6  18.020 -13.654  10.215
   63    H8     A   6           H8         A   6  21.527 -13.747   9.766
   64   1H6     A   6          1H6         A   6  22.191 -17.594  14.550
   65   2H6     A   6          2H6         A   6  22.954 -16.928  13.125
   66    H2     A   6           H2         A   6  18.094 -15.767  14.803
   67   1H5*    G   7          1H5*        G   7  19.834  -9.319  15.508
   68   2H5*    G   7          2H5*        G   7  20.370 -10.723  14.562
   69    H4*    G   7           H4*        G   7  18.049 -10.949  16.478
   70    H3*    G   7           H3*        G   7  20.977 -10.887  17.206
   71    H2*    G   7           H2*        G   7  20.725 -12.779  18.594
   72   2HO*    G   7          2HO*        G   7  17.923 -12.296  18.369
   73    H1*    G   7           H1*        G   7  19.104 -14.244  16.966
   74    H8     G   7           H8         G   7  21.039 -13.160  14.201
   75    H1     G   7           H1         G   7  24.917 -16.164  18.316
   76   1H2     G   7          1H2         G   7  23.927 -16.350  20.294
   77   2H2     G   7          2H2         G   7  22.318 -15.740  20.600
   78   1H5*    C   8          1H5*        C   8  19.929 -10.298  20.871
   79   2H5*    C   8          2H5*        C   8  20.460  -8.777  21.614
   80    H4*    C   8           H4*        C   8  21.532 -10.516  22.824
   81    H3*    C   8           H3*        C   8  23.478  -9.292  20.835
   82    H2*    C   8           H2*        C   8  25.134 -10.641  21.859
   83   2HO*    C   8          2HO*        C   8  23.350 -11.516  23.869
   84    H1*    C   8           H1*        C   8  23.530 -12.886  22.138
   85   1H4     C   8          1H4         C   8  27.078 -13.572  16.857
   86   2H4     C   8          2H4         C   8  25.775 -12.876  15.919
   87    H5     C   8           H5         C   8  23.776 -11.964  16.911
   88    H6     C   8           H6         C   8  22.611 -11.493  19.015
   89   1H5*    A   9          1H5*        A   9  25.759  -8.215  24.676
   90   2H5*    A   9          2H5*        A   9  26.748  -6.927  23.968
   91    H4*    A   9           H4*        A   9  27.862  -9.140  24.855
   92    H3*    A   9           H3*        A   9  28.606  -7.972  22.130
   93    H2*    A   9           H2*        A   9  30.474  -9.509  22.301
   94   2HO*    A   9          2HO*        A   9  30.057  -9.248  24.945
   95    H1*    A   9           H1*        A   9  28.814 -11.566  23.019
   96    H8     A   9           H8         A   9  26.726  -9.592  20.646
   97   1H6     A   9          1H6         A   9  30.116 -11.823  15.998
   98   2H6     A   9          2H6         A   9  28.693 -10.899  16.430
   99    H2     A   9           H2         A   9  32.130 -12.973  19.856
  100   1H5*    C  10          1H5*        C  10  32.002  -5.991  24.476
  101   2H5*    C  10          2H5*        C  10  32.653  -4.707  23.439
  102    H4*    C  10           H4*        C  10  34.082  -6.854  23.947
  103    H3*    C  10           H3*        C  10  33.809  -5.595  21.196
  104    H2*    C  10           H2*        C  10  35.444  -7.172  20.459
  105   2HO*    C  10          2HO*        C  10  35.694  -7.996  23.180
  106    H1*    C  10           H1*        C  10  34.225  -9.304  21.621
  107   1H4     C  10          1H4         C  10  31.585  -8.222  15.835
  108   2H4     C  10          2H4         C  10  30.133  -7.743  16.684
  109    H5     C  10           H5         C  10  30.025  -7.497  19.081
  110    H6     C  10           H6         C  10  31.291  -7.649  21.172
  111   1H5*    U  11          1H5*        U  11  36.841  -2.185  19.705
  112   2H5*    U  11          2H5*        U  11  35.152  -2.637  19.409
  113    H4*    U  11           H4*        U  11  37.658  -3.651  18.066
  114    H3*    U  11           H3*        U  11  35.175  -2.194  17.157
  115    H2*    U  11           H2*        U  11  35.143  -3.414  15.142
  116   2HO*    U  11          2HO*        U  11  36.919  -4.493  14.350
  117    H1*    U  11           H1*        U  11  35.824  -5.872  16.111
  118    H3     U  11           H3         U  11  31.324  -5.436  14.935
  119    H5     U  11           H5         U  11  31.621  -5.084  19.125
  120    H6     U  11           H6         U  11  34.028  -4.918  18.873
  121   1H5*    C  12          1H5*        C  12  38.525  -2.699  13.887
  122   2H5*    C  12          2H5*        C  12  38.813  -0.969  13.610
  123    H4*    C  12           H4*        C  12  38.858  -2.314  11.512
  124    H3*    C  12           H3*        C  12  36.710  -0.189  11.818
  125    H2*    C  12           H2*        C  12  35.877  -0.728   9.666
  126   2HO*    C  12          2HO*        C  12  37.567  -2.602   8.780
  127    H1*    C  12           H1*        C  12  36.154  -3.453   9.857
  128   1H4     C  12          1H4         C  12  30.118  -2.290  11.512
  129   2H4     C  12          2H4         C  12  30.622  -1.705  13.081
  130    H5     C  12           H5         C  12  32.940  -1.517  13.738
  131    H6     C  12           H6         C  12  35.265  -1.811  13.010
  132   1H5*    U  13          1H5*        U  13  37.138   3.274   8.336
  133   2H5*    U  13          2H5*        U  13  35.580   2.575   8.828
  134    H4*    U  13           H4*        U  13  37.142   1.980   6.297
  135    H3*    U  13           H3*        U  13  34.606   3.504   6.853
  136    H2*    U  13           H2*        U  13  33.572   2.586   4.950
  137   2HO*    U  13          2HO*        U  13  35.252   2.955   3.478
  138    H1*    U  13           H1*        U  13  34.607   0.040   5.099
  139    H3     U  13           H3         U  13  30.063   0.083   5.987
  140    H5     U  13           H5         U  13  32.021   0.455   9.702
  141    H6     U  13           H6         U  13  34.101   0.798   8.496
  142   1H5*    G  14          1H5*        G  14  36.208   4.905   2.855
  143   2H5*    G  14          2H5*        G  14  36.215   6.681   2.860
  144    H4*    G  14           H4*        G  14  35.184   5.845   0.811
  145    H3*    G  14           H3*        G  14  33.343   7.227   2.777
  146    H2*    G  14           H2*        G  14  31.504   6.862   1.322
  147   2HO*    G  14          2HO*        G  14  32.581   5.563  -0.749
  148    H1*    G  14           H1*        G  14  32.060   4.274   0.727
  149    H8     G  14           H8         G  14  33.243   4.801   4.276
  150    H1     G  14           H1         G  14  26.906   3.991   3.849
  151   1H2     G  14          1H2         G  14  26.268   4.078   1.723
  152   2H2     G  14          2H2         G  14  27.399   4.331   0.413
  153   1H5*    G  15          1H5*        G  15  32.824  10.020  -0.449
  154   2H5*    G  15          2H5*        G  15  32.129  11.496   0.252
  155    H4*    G  15           H4*        G  15  30.601   9.752  -1.011
  156    H3*    G  15           H3*        G  15  29.803  11.047   1.637
  157    H2*    G  15           H2*        G  15  27.683   9.998   1.288
  158   2HO*    G  15          2HO*        G  15  28.472  10.093  -1.338
  159    H1*    G  15           H1*        G  15  28.762   7.594   0.479
  160    H8     G  15           H8         G  15  31.116   8.171   3.143
  161    H1     G  15           H1         G  15  25.222   7.595   5.583
  162   1H2     G  15          1H2         G  15  23.708   7.786   3.964
  163   2H2     G  15          2H2         G  15  24.149   8.051   2.293
  164   1H5*    U  16          1H5*        U  16  27.473  13.857  -0.964
  165   2H5*    U  16          2H5*        U  16  27.301  15.362  -0.039
  166    H4*    U  16           H4*        U  16  25.253  13.761  -0.292
  167    H3*    U  16           H3*        U  16  26.118  15.018   2.326
  168    H2*    U  16           H2*        U  16  24.264  13.992   3.357
  169   2HO*    U  16          2HO*        U  16  22.485  13.298   2.254
  170    H1*    U  16           H1*        U  16  24.380  11.606   1.932
  171    H3     U  16           H3         U  16  25.220  11.355   6.542
  172    H5     U  16           H5         U  16  28.929  11.427   4.542
  173    H6     U  16           H6         U  16  27.741  11.993   2.500
  174   1H5*    A  17          1H5*        A  17  22.688  17.977   1.550
  175   2H5*    A  17          2H5*        A  17  23.166  19.362   2.552
  176    H4*    A  17           H4*        A  17  21.238  17.745   3.338
  177    H3*    A  17           H3*        A  17  23.431  18.808   5.186
  178    H2*    A  17           H2*        A  17  22.362  17.623   6.939
  179   2HO*    A  17          2HO*        A  17  20.206  18.338   6.250
  180    H1*    A  17           H1*        A  17  21.705  15.376   5.468
  181    H8     A  17           H8         A  17  25.183  15.939   4.387
  182   1H6     A  17          1H6         A  17  27.087  14.037   9.961
  183   2H6     A  17          2H6         A  17  27.591  14.443   8.336
  184    H2     A  17           H2         A  17  22.646  14.667  10.150
  185   1H5*    U  18          1H5*        U  18  22.423  23.267   7.557
  186   2H5*    U  18          2H5*        U  18  23.500  21.931   7.115
  187    H4*    U  18           H4*        U  18  21.098  21.627   8.948
  188    H3*    U  18           H3*        U  18  23.991  22.277   9.619
  189    H2*    U  18           H2*        U  18  24.020  20.677  11.315
  190   2HO*    U  18          2HO*        U  18  22.307  20.150  12.463
  191    H1*    U  18           H1*        U  18  22.455  18.756  10.137
  192    H3     U  18           H3         U  18  26.814  17.413  10.712
  193    H5     U  18           H5         U  18  26.452  18.809   6.748
  194    H6     U  18           H6         U  18  24.302  19.767   7.359
  195   1H5*    U  19          1H5*        U  19  25.297  25.695  11.658
  196   2H5*    U  19          2H5*        U  19  26.513  24.675  10.864
  197    H4*    U  19           H4*        U  19  24.781  24.020  13.264
  198    H3*    U  19           H3*        U  19  27.764  24.151  12.786
  199    H2*    U  19           H2*        U  19  28.079  22.454  14.383
  200   2HO*    U  19          2HO*        U  19  26.551  21.923  15.914
  201    H1*    U  19           H1*        U  19  25.835  20.955  13.733
  202    H3     U  19           H3         U  19  30.071  19.033  12.826
  203    H5     U  19           H5         U  19  28.413  20.471   9.229
  204    H6     U  19           H6         U  19  26.728  21.625  10.537
  205   1H5*    A  20          1H5*        A  20  29.710  26.847  16.699
  206   2H5*    A  20          2H5*        A  20  30.550  25.289  16.562
  207    H4*    A  20           H4*        A  20  30.006  26.341  18.928
  208    H3*    A  20           H3*        A  20  30.721  23.709  18.247
  209    H2*    A  20           H2*        A  20  28.501  22.908  18.121
  210   2HO*    A  20          2HO*        A  20  28.549  22.727  20.910
  211    H1*    A  20           H1*        A  20  27.747  24.594  20.521
  212    H8     A  20           H8         A  20  26.609  23.380  17.009
  213   1H6     A  20          1H6         A  20  20.954  23.320  19.454
  214   2H6     A  20          2H6         A  20  21.924  22.937  18.050
  215    H2     A  20           H2         A  20  23.780  24.933  22.563
  216   1H5*    C  21          1H5*        C  21  32.850  20.890  20.366
  217   2H5*    C  21          2H5*        C  21  34.047  21.630  19.291
  218    H4*    C  21           H4*        C  21  31.970  19.650  18.709
  219    H3*    C  21           H3*        C  21  34.526  20.387  17.343
  220    H2*    C  21           H2*        C  21  33.642  20.043  15.261
  221   2HO*    C  21          2HO*        C  21  32.757  18.160  14.742
  222    H1*    C  21           H1*        C  21  30.847  19.768  16.144
  223   1H4     C  21          1H4         C  21  31.831  23.830  11.101
  224   2H4     C  21          2H4         C  21  30.526  24.666  11.913
  225    H5     C  21           H5         C  21  29.711  24.045  14.088
  226    H6     C  21           H6         C  21  29.958  22.474  15.952
  227   1H5*    G  22          1H5*        G  22  33.312  15.766  19.355
  228   2H5*    G  22          2H5*        G  22  32.481  17.266  18.897
  229    H4*    G  22           H4*        G  22  32.375  16.012  21.660
  230    H3*    G  22           H3*        G  22  30.558  15.700  19.278
  231    H2*    G  22           H2*        G  22  28.668  16.075  20.567
  232   2HO*    G  22          2HO*        G  22  30.195  14.776  22.491
  233    H1*    G  22           H1*        G  22  29.862  17.605  22.646
  234    H8     G  22           H8         G  22  28.355  19.677  22.561
  235    H1     G  22           H1         G  22  27.980  19.576  16.172
  236   1H2     G  22          1H2         G  22  29.204  17.923  15.359
  237   2H2     G  22          2H2         G  22  30.126  16.844  16.381
  238   1H5*    G  23          1H5*        G  23  29.988  11.147  18.132
  239   2H5*    G  23          2H5*        G  23  30.775  12.584  17.452
  240    H4*    G  23           H4*        G  23  29.044  12.963  19.858
  241    H3*    G  23           H3*        G  23  27.945  12.157  17.177
  242    H2*    G  23           H2*        G  23  26.341  13.866  17.281
  243   2HO*    G  23          2HO*        G  23  25.500  14.532  19.106
  244    H1*    G  23           H1*        G  23  27.902  15.837  18.372
  245    H8     G  23           H8         G  23  30.365  14.443  16.085
  246    H1     G  23           H1         G  23  25.644  17.273  12.826
  247   1H2     G  23          1H2         G  23  23.902  17.621  14.161
  248   2H2     G  23          2H2         G  23  23.908  17.161  15.849
  249   1H5*    U  24          1H5*        U  24  24.282  10.698  18.988
  250   2H5*    U  24          2H5*        U  24  23.960   9.322  17.919
  251    H4*    U  24           H4*        U  24  22.540  11.512  17.709
  252    H3*    U  24           H3*        U  24  23.626  10.000  15.283
  253    H2*    U  24           H2*        U  24  22.415  11.575  13.987
  254   2HO*    U  24          2HO*        U  24  20.626  11.451  15.761
  255    H1*    U  24           H1*        U  24  23.046  13.788  15.511
  256    H3     U  24           H3         U  24  25.032  13.650  11.285
  257    H5     U  24           H5         U  24  27.874  12.296  14.086
  258    H6     U  24           H6         U  24  26.098  12.193  15.740
  259   1H5*    A  25          1H5*        A  25  19.508   8.983  15.293
  260   2H5*    A  25          2H5*        A  25  19.089   7.382  14.650
  261    H4*    A  25           H4*        A  25  18.403   9.227  13.147
  262    H3*    A  25           H3*        A  25  20.543   7.344  12.099
  263    H2*    A  25           H2*        A  25  20.332   8.472  10.023
  264   2HO*    A  25          2HO*        A  25  18.118   9.955  10.981
  265    H1*    A  25           H1*        A  25  20.105  11.014  11.104
  266    H8     A  25           H8         A  25  22.815   9.459  13.116
  267   1H6     A  25          1H6         A  25  26.621  10.379   8.332
  268   2H6     A  25          2H6         A  25  26.519   9.950  10.024
  269    H2     A  25           H2         A  25  22.417  11.102   6.917
  270   1H5*    C  26          1H5*        C  26  17.085   6.060   9.332
  271   2H5*    C  26          2H5*        C  26  17.629   4.439   8.865
  272    H4*    C  26           H4*        C  26  17.405   6.310   7.055
  273    H3*    C  26           H3*        C  26  19.754   4.410   7.262
  274    H2*    C  26           H2*        C  26  20.586   5.416   5.287
  275   2HO*    C  26          2HO*        C  26  19.326   6.314   3.833
  276    H1*    C  26           H1*        C  26  20.004   8.014   5.985
  277   1H4     C  26          1H4         C  26  26.059   6.887   7.708
  278   2H4     C  26          2H4         C  26  25.506   6.421   9.301
  279    H5     C  26           H5         C  26  23.174   6.227   9.883
  280    H6     C  26           H6         C  26  20.871   6.423   9.059
  281   1H5*    C  27          1H5*        C  27  17.980   3.406   3.657
  282   2H5*    C  27          2H5*        C  27  17.995   1.692   3.207
  283    H4*    C  27           H4*        C  27  19.287   3.089   1.631
  284    H3*    C  27           H3*        C  27  21.008   1.180   3.282
  285    H2*    C  27           H2*        C  27  22.775   1.807   1.787
  286   2HO*    C  27          2HO*        C  27  21.930   1.884  -0.213
  287    H1*    C  27           H1*        C  27  22.131   4.489   1.839
  288   1H4     C  27          1H4         C  27  26.690   3.368   6.201
  289   2H4     C  27          2H4         C  27  25.455   3.080   7.405
  290    H5     C  27           H5         C  27  23.095   3.076   6.900
  291    H6     C  27           H6         C  27  21.420   3.273   5.118
  292   1H5*    U  28          1H5*        U  28  22.944  -2.527   1.531
  293   2H5*    U  28          2H5*        U  28  23.080  -1.950   3.203
  294    H4*    U  28           H4*        U  28  24.844  -1.190   0.852
  295    H3*    U  28           H3*        U  28  25.272  -2.881   3.324
  296    H2*    U  28           H2*        U  28  27.478  -2.073   3.500
  297   2HO*    U  28          2HO*        U  28  27.764  -2.322   1.107
  298    H1*    U  28           H1*        U  28  26.982   0.540   2.802
  299    H3     U  28           H3         U  28  28.109   0.279   7.246
  300    H5     U  28           H5         U  28  23.942  -0.335   7.085
  301    H6     U  28           H6         U  28  24.122  -0.463   4.667
  302   1H5*    U  29          1H5*        U  29  27.133  -6.755   3.590
  303   2H5*    U  29          2H5*        U  29  27.293  -5.722   5.024
  304    H4*    U  29           H4*        U  29  29.046  -5.719   2.553
  305    H3*    U  29           H3*        U  29  29.432  -6.677   5.358
  306    H2*    U  29           H2*        U  29  31.540  -5.681   5.565
  307   2HO*    U  29          2HO*        U  29  32.456  -4.729   3.479
  308    H1*    U  29           H1*        U  29  31.092  -3.348   4.220
  309    H3     U  29           H3         U  29  31.414  -2.929   8.878
  310    H5     U  29           H5         U  29  27.330  -2.833   7.841
  311    H6     U  29           H6         U  29  27.948  -3.561   5.607
  312   1H5*    U  30          1H5*        U  30  31.601 -10.220   6.496
  313   2H5*    U  30          2H5*        U  30  31.132  -9.101   7.792
  314    H4*    U  30           H4*        U  30  33.433  -8.706   5.843
  315    H3*    U  30           H3*        U  30  33.333  -9.762   8.654
  316    H2*    U  30           H2*        U  30  35.136  -8.425   9.347
  317   2HO*    U  30          2HO*        U  30  36.414  -8.962   7.448
  318    H1*    U  30           H1*        U  30  34.541  -6.136   7.980
  319    H3     U  30           H3         U  30  33.770  -6.089  12.629
  320    H5     U  30           H5         U  30  30.066  -6.469  10.652
  321    H6     U  30           H6         U  30  31.281  -6.910   8.598
  322   1H5*    G  31          1H5*        G  31  37.085 -12.338   7.775
  323   2H5*    G  31          2H5*        G  31  36.430 -13.855   8.424
  324    H4*    G  31           H4*        G  31  38.437 -12.891   9.654
  325    H3*    G  31           H3*        G  31  35.844 -13.568  11.049
  326    H2*    G  31           H2*        G  31  36.740 -12.817  13.100
  327   2HO*    G  31          2HO*        G  31  39.217 -12.101  12.655
  328    H1*    G  31           H1*        G  31  38.036 -10.596  12.156
  329    H8     G  31           H8         G  31  34.883 -10.606  10.173
  330    H1     G  31           H1         G  31  33.889  -8.879  16.261
  331   1H2     G  31          1H2         G  31  35.682  -9.343  17.485
  332   2H2     G  31          2H2         G  31  37.121 -10.071  16.808
  333   1H5*    U  32          1H5*        U  32  38.410 -16.528  13.208
  334   2H5*    U  32          2H5*        U  32  37.311 -17.882  13.533
  335    H4*    U  32           H4*        U  32  38.246 -16.444  15.518
  336    H3*    U  32           H3*        U  32  35.371 -17.366  15.241
  337    H2*    U  32           H2*        U  32  34.911 -16.291  17.293
  338   2HO*    U  32          2HO*        U  32  36.816 -17.161  18.332
  339    H1*    U  32           H1*        U  32  36.526 -14.073  16.905
  340    H3     U  32           H3         U  32  31.975 -13.103  17.038
  341    H5     U  32           H5         U  32  33.054 -13.527  12.985
  342    H6     U  32           H6         U  32  35.192 -14.418  13.715
  343   1H5*    G  33          1H5*        G  33  34.352 -20.990  18.937
  344   2H5*    G  33          2H5*        G  33  33.595 -19.749  17.917
  345    H4*    G  33           H4*        G  33  34.716 -19.316  20.709
  346    H3*    G  33           H3*        G  33  31.897 -19.711  19.704
  347    H2*    G  33           H2*        G  33  31.121 -18.064  21.206
  348   2HO*    G  33          2HO*        G  33  33.309 -17.310  22.544
  349    H1*    G  33           H1*        G  33  33.140 -16.261  20.846
  350    H8     G  33           H8         G  33  32.859 -17.384  17.388
  351    H1     G  33           H1         G  33  27.567 -14.233  19.138
  352   1H2     G  33          1H2         G  33  27.513 -13.999  21.346
  353   2H2     G  33          2H2         G  33  28.777 -14.612  22.387
  354   1H5*    C  34          1H5*        C  34  30.455 -20.771  23.884
  355   2H5*    C  34          2H5*        C  34  29.567 -22.207  23.335
  356    H4*    C  34           H4*        C  34  28.222 -20.260  24.390
  357    H3*    C  34           H3*        C  34  27.482 -21.534  21.737
  358    H2*    C  34           H2*        C  34  25.647 -20.089  21.578
  359   2HO*    C  34          2HO*        C  34  24.551 -20.102  23.402
  360    H1*    C  34           H1*        C  34  26.840 -17.883  22.841
  361   1H4     C  34          1H4         C  34  26.575 -16.639  16.585
  362   2H4     C  34          2H4         C  34  28.104 -17.458  16.362
  363    H5     C  34           H5         C  34  29.244 -18.636  18.136
  364    H6     C  34           H6         C  34  29.146 -19.294  20.497
  365   1H5*    G  35          1H5*        G  35  23.463 -22.896  22.995
  366   2H5*    G  35          2H5*        G  35  23.569 -24.397  22.053
  367    H4*    G  35           H4*        G  35  21.974 -22.435  21.298
  368    H3*    G  35           H3*        G  35  23.733 -24.071  19.453
  369    H2*    G  35           H2*        G  35  22.874 -22.837  17.638
  370   2HO*    G  35          2HO*        G  35  20.783 -22.161  19.433
  371    H1*    G  35           H1*        G  35  22.779 -20.378  18.929
  372    H8     G  35           H8         G  35  26.091 -21.765  19.872
  373    H1     G  35           H1         G  35  25.917 -19.939  13.739
  374   1H2     G  35          1H2         G  35  23.826 -19.561  13.119
  375   2H2     G  35          2H2         G  35  22.471 -19.758  14.208
  376   1H5*    C  36          1H5*        C  36  19.330 -25.198  17.967
  377   2H5*    C  36          2H5*        C  36  19.686 -26.835  17.381
  378    H4*    C  36           H4*        C  36  18.639 -25.121  15.739
  379    H3*    C  36           H3*        C  36  21.051 -26.844  15.074
  380    H2*    C  36           H2*        C  36  21.017 -25.912  12.882
  381   2HO*    C  36          2HO*        C  36  19.174 -24.242  12.589
  382    H1*    C  36           H1*        C  36  20.705 -23.332  13.684
  383   1H4     C  36          1H4         C  36  27.009 -24.423  13.621
  384   2H4     C  36          2H4         C  36  26.937 -24.862  15.312
  385    H5     C  36           H5         C  36  24.868 -25.048  16.541
  386    H6     C  36           H6         C  36  22.428 -24.863  16.407
  387   1H5*    C  37          1H5*        C  37  18.330 -29.389  12.634
  388   2H5*    C  37          2H5*        C  37  19.141 -30.969  12.676
  389    H4*    C  37           H4*        C  37  19.285 -29.440  10.532
  390    H3*    C  37           H3*        C  37  21.677 -30.935  11.712
  391    H2*    C  37           H2*        C  37  22.934 -30.119   9.871
  392   2HO*    C  37          2HO*        C  37  21.602 -30.496   8.149
  393    H1*    C  37           H1*        C  37  21.798 -27.589   9.845
  394   1H4     C  37          1H4         C  37  27.423 -27.722  13.035
  395   2H4     C  37          2H4         C  37  26.503 -27.632  14.521
  396    H5     C  37           H5         C  37  24.097 -27.652  14.585
  397    H6     C  37           H6         C  37  22.051 -27.922  13.259
  398   1H5*    C  38          1H5*        C  38  21.507 -31.367   6.478
  399   2H5*    C  38          2H5*        C  38  21.101 -33.038   6.926
  400    H4*    C  38           H4*        C  38  22.888 -32.862   5.181
  401    H3*    C  38           H3*        C  38  23.354 -34.236   7.802
  402    H2*    C  38           H2*        C  38  25.615 -34.532   7.408
  403   2HO*    C  38          2HO*        C  38  26.291 -35.117   5.508
  404    H1*    C  38           H1*        C  38  26.139 -32.227   5.947
  405   1H4     C  38          1H4         C  38  28.290 -30.705  11.722
  406   2H4     C  38          2H4         C  38  26.670 -30.724  12.383
  407    H5     C  38           H5         C  38  24.726 -31.343  11.096
  408    H6     C  38           H6         C  38  23.919 -32.069   8.897
  409    H3T    C  38           H3T        C  38  23.585 -35.217   5.164
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  38.926 -27.478  10.744
    2   2H5*    G   1          2H5*        G   1  37.526 -28.136  11.618
    3    H4*    G   1           H4*        G   1  38.369 -28.817   8.776
    4    H3*    G   1           H3*        G   1  36.173 -27.073   9.904
    5    H2*    G   1           H2*        G   1  34.638 -27.882   8.322
    6   2HO*    G   1          2HO*        G   1  36.031 -29.455   6.704
    7    H1*    G   1           H1*        G   1  35.462 -30.508   8.257
    8    H8     G   1           H8         G   1  35.475 -29.256  11.839
    9    H1     G   1           H1         G   1  29.673 -31.003   9.771
   10   1H2     G   1          1H2         G   1  29.722 -31.365   7.582
   11   2H2     G   1          2H2         G   1  31.176 -31.166   6.628
   12    H5T    G   1           H5T        G   1  39.055 -29.458  12.273
   13   1H5*    G   2          1H5*        G   2  35.382 -27.052   5.981
   14   2H5*    G   2          2H5*        G   2  35.325 -25.378   5.397
   15    H4*    G   2           H4*        G   2  33.278 -26.534   4.783
   16    H3*    G   2           H3*        G   2  32.907 -24.467   6.977
   17    H2*    G   2           H2*        G   2  30.608 -24.948   6.972
   18   2HO*    G   2          2HO*        G   2  30.025 -26.517   5.025
   19    H1*    G   2           H1*        G   2  30.839 -27.683   6.371
   20    H8     G   2           H8         G   2  32.973 -26.183   9.215
   21    H1     G   2           H1         G   2  27.283 -28.479  11.044
   22   1H2     G   2          1H2         G   2  26.107 -29.102   9.268
   23   2H2     G   2          2H2         G   2  26.723 -28.961   7.637
   24   1H5*    G   3          1H5*        G   3  30.410 -22.353   3.583
   25   2H5*    G   3          2H5*        G   3  30.394 -20.704   4.236
   26    H4*    G   3           H4*        G   3  28.157 -22.065   3.997
   27    H3*    G   3           H3*        G   3  28.905 -20.373   6.410
   28    H2*    G   3           H2*        G   3  26.862 -20.981   7.392
   29   2HO*    G   3          2HO*        G   3  25.749 -22.220   5.169
   30    H1*    G   3           H1*        G   3  26.707 -23.575   6.322
   31    H8     G   3           H8         G   3  30.086 -22.880   7.908
   32    H1     G   3           H1         G   3  25.568 -24.531  12.135
   33   1H2     G   3          1H2         G   3  23.580 -24.570  11.148
   34   2H2     G   3          2H2         G   3  23.365 -24.195   9.453
   35   1H5*    C   4          1H5*        C   4  25.227 -19.147   5.319
   36   2H5*    C   4          2H5*        C   4  24.951 -17.400   5.143
   37    H4*    C   4           H4*        C   4  23.327 -18.362   6.684
   38    H3*    C   4           H3*        C   4  25.420 -16.598   7.977
   39    H2*    C   4           H2*        C   4  24.479 -17.003  10.076
   40   2HO*    C   4          2HO*        C   4  22.373 -16.364   9.453
   41    H1*    C   4           H1*        C   4  23.439 -19.588   9.506
   42   1H4     C   4          1H4         C   4  28.172 -20.556  13.652
   43   2H4     C   4          2H4         C   4  29.355 -20.276  12.395
   44    H5     C   4           H5         C   4  28.773 -19.609  10.159
   45    H6     C   4           H6         C   4  26.932 -19.024   8.648
   46   1H5*    U   5          1H5*        U   5  21.966 -15.433   5.931
   47   2H5*    U   5          2H5*        U   5  22.029 -13.927   4.986
   48    H4*    U   5           H4*        U   5  20.020 -13.106   6.111
   49    H3*    U   5           H3*        U   5  20.540 -14.818   8.223
   50    H2*    U   5           H2*        U   5  19.890 -16.829   7.156
   51   2HO*    U   5          2HO*        U   5  18.370 -17.076   8.610
   52    H1*    U   5           H1*        U   5  17.637 -15.418   5.729
   53    H3     U   5           H3         U   5  17.730 -20.137   4.907
   54    H5     U   5           H5         U   5  19.686 -18.037   1.820
   55    H6     U   5           H6         U   5  19.659 -16.064   3.232
   56   1H5*    A   6          1H5*        A   6  16.761 -14.155   9.233
   57   2H5*    A   6          2H5*        A   6  16.164 -12.733  10.107
   58    H4*    A   6           H4*        A   6  15.274 -14.537  11.306
   59    H3*    A   6           H3*        A   6  17.766 -13.486  12.633
   60    H2*    A   6           H2*        A   6  17.796 -15.239  14.188
   61   2HO*    A   6          2HO*        A   6  15.920 -16.631  14.426
   62    H1*    A   6           H1*        A   6  16.977 -17.290  12.563
   63    H8     A   6           H8         A   6  19.283 -15.552  10.286
   64   1H6     A   6          1H6         A   6  24.011 -17.868  13.516
   65   2H6     A   6          2H6         A   6  23.536 -17.068  12.036
   66    H2     A   6           H2         A   6  20.260 -18.496  15.911
   67   1H5*    G   7          1H5*        G   7  18.303 -10.603  15.624
   68   2H5*    G   7          2H5*        G   7  19.622 -11.693  15.149
   69    H4*    G   7           H4*        G   7  17.239 -12.327  16.917
   70    H3*    G   7           H3*        G   7  20.197 -12.028  17.426
   71    H2*    G   7           H2*        G   7  20.162 -13.838  18.942
   72   2HO*    G   7          2HO*        G   7  17.314 -13.855  18.814
   73    H1*    G   7           H1*        G   7  18.534 -15.501  17.518
   74    H8     G   7           H8         G   7  20.228 -14.486  14.573
   75    H1     G   7           H1         G   7  24.524 -16.997  18.604
   76   1H2     G   7          1H2         G   7  23.668 -17.113  20.649
   77   2H2     G   7          2H2         G   7  22.045 -16.578  21.020
   78   1H5*    C   8          1H5*        C   8  19.407 -11.407  21.212
   79   2H5*    C   8          2H5*        C   8  19.942  -9.815  21.784
   80    H4*    C   8           H4*        C   8  21.133 -11.482  23.031
   81    H3*    C   8           H3*        C   8  22.911 -10.216  20.917
   82    H2*    C   8           H2*        C   8  24.690 -11.417  21.922
   83   2HO*    C   8          2HO*        C   8  24.688 -11.568  24.017
   84    H1*    C   8           H1*        C   8  23.230 -13.739  22.360
   85   1H4     C   8          1H4         C   8  26.659 -14.436  16.997
   86   2H4     C   8          2H4         C   8  25.270 -13.904  16.074
   87    H5     C   8           H5         C   8  23.240 -13.097  17.093
   88    H6     C   8           H6         C   8  22.115 -12.599  19.212
   89   1H5*    A   9          1H5*        A   9  25.421  -9.128  24.725
   90   2H5*    A   9          2H5*        A   9  26.240  -7.771  23.931
   91    H4*    A   9           H4*        A   9  27.604  -9.863  24.762
   92    H3*    A   9           H3*        A   9  28.060  -8.721  21.972
   93    H2*    A   9           H2*        A   9  30.072 -10.081  22.070
   94   2HO*    A   9          2HO*        A   9  30.510  -9.702  24.358
   95    H1*    A   9           H1*        A   9  28.630 -12.241  22.951
   96    H8     A   9           H8         A   9  26.290 -10.499  20.620
   97   1H6     A   9          1H6         A   9  29.582 -12.703  15.890
   98   2H6     A   9          2H6         A   9  28.128 -11.852  16.360
   99    H2     A   9           H2         A   9  31.850 -13.574  19.679
  100   1H5*    C  10          1H5*        C  10  31.529  -6.545  24.004
  101   2H5*    C  10          2H5*        C  10  32.034  -5.251  22.899
  102    H4*    C  10           H4*        C  10  33.641  -7.270  23.400
  103    H3*    C  10           H3*        C  10  33.151  -6.139  20.619
  104    H2*    C  10           H2*        C  10  34.888  -7.609  19.876
  105   2HO*    C  10          2HO*        C  10  36.307  -8.528  21.209
  106    H1*    C  10           H1*        C  10  33.867  -9.778  21.149
  107   1H4     C  10          1H4         C  10  30.936  -9.101  15.445
  108   2H4     C  10          2H4         C  10  29.494  -8.660  16.330
  109    H5     C  10           H5         C  10  29.464  -8.315  18.717
  110    H6     C  10           H6         C  10  30.814  -8.305  20.761
  111   1H5*    U  11          1H5*        U  11  37.130  -4.630  20.021
  112   2H5*    U  11          2H5*        U  11  36.680  -3.065  19.322
  113    H4*    U  11           H4*        U  11  37.876  -4.899  17.866
  114    H3*    U  11           H3*        U  11  35.531  -3.198  16.921
  115    H2*    U  11           H2*        U  11  35.787  -4.241  14.798
  116   2HO*    U  11          2HO*        U  11  37.615  -5.428  14.257
  117    H1*    U  11           H1*        U  11  36.256  -6.779  15.773
  118    H3     U  11           H3         U  11  32.126  -6.287  13.666
  119    H5     U  11           H5         U  11  31.506  -5.953  17.822
  120    H6     U  11           H6         U  11  33.912  -5.820  18.102
  121   1H5*    C  12          1H5*        C  12  39.298  -1.057  13.683
  122   2H5*    C  12          2H5*        C  12  38.038   0.192  13.662
  123    H4*    C  12           H4*        C  12  38.962  -1.367  11.492
  124    H3*    C  12           H3*        C  12  36.656   0.561  11.782
  125    H2*    C  12           H2*        C  12  35.808  -0.157   9.705
  126   2HO*    C  12          2HO*        C  12  38.458  -1.017   9.281
  127    H1*    C  12           H1*        C  12  36.418  -2.842   9.960
  128   1H4     C  12          1H4         C  12  30.290  -1.577  11.614
  129   2H4     C  12          2H4         C  12  30.730  -2.128  13.215
  130    H5     C  12           H5         C  12  33.002  -2.652  13.853
  131    H6     C  12           H6         C  12  35.335  -2.719  13.098
  132   1H5*    U  13          1H5*        U  13  38.249   4.549   8.184
  133   2H5*    U  13          2H5*        U  13  36.634   3.951   8.625
  134    H4*    U  13           H4*        U  13  38.242   3.389   6.130
  135    H3*    U  13           H3*        U  13  35.587   4.684   6.692
  136    H2*    U  13           H2*        U  13  34.602   3.669   4.814
  137   2HO*    U  13          2HO*        U  13  36.282   2.417   3.405
  138    H1*    U  13           H1*        U  13  35.813   1.214   4.957
  139    H3     U  13           H3         U  13  31.325   0.939   6.046
  140    H5     U  13           H5         U  13  33.406   1.506   9.668
  141    H6     U  13           H6         U  13  35.403   1.978   8.369
  142   1H5*    G  14          1H5*        G  14  37.043   7.404   2.753
  143   2H5*    G  14          2H5*        G  14  36.151   8.842   3.291
  144    H4*    G  14           H4*        G  14  35.654   7.829   0.935
  145    H3*    G  14           H3*        G  14  33.566   8.732   2.937
  146    H2*    G  14           H2*        G  14  31.845   8.037   1.460
  147   2HO*    G  14          2HO*        G  14  33.772   8.471  -0.420
  148    H1*    G  14           H1*        G  14  32.926   5.643   0.783
  149    H8     G  14           H8         G  14  34.061   6.029   4.311
  150    H1     G  14           H1         G  14  27.825   4.629   3.944
  151   1H2     G  14          1H2         G  14  27.116   4.852   1.852
  152   2H2     G  14          2H2         G  14  28.174   5.340   0.548
  153   1H5*    G  15          1H5*        G  15  32.888  11.760  -0.262
  154   2H5*    G  15          2H5*        G  15  31.946  13.085   0.450
  155    H4*    G  15           H4*        G  15  30.772  11.325  -1.101
  156    H3*    G  15           H3*        G  15  29.632  12.363   1.514
  157    H2*    G  15           H2*        G  15  27.693  11.050   1.069
  158   2HO*    G  15          2HO*        G  15  27.350  10.055  -0.932
  159    H1*    G  15           H1*        G  15  29.035   8.800   0.309
  160    H8     G  15           H8         G  15  31.378   9.692   2.906
  161    H1     G  15           H1         G  15  25.648   8.477   5.494
  162   1H2     G  15          1H2         G  15  24.087   8.460   3.910
  163   2H2     G  15          2H2         G  15  24.457   8.744   2.224
  164   1H5*    U  16          1H5*        U  16  27.179  13.442  -1.049
  165   2H5*    U  16          2H5*        U  16  26.494  15.031  -1.447
  166    H4*    U  16           H4*        U  16  24.655  13.755  -0.715
  167    H3*    U  16           H3*        U  16  25.664  15.407   1.641
  168    H2*    U  16           H2*        U  16  23.820  14.558   2.877
  169   2HO*    U  16          2HO*        U  16  22.265  14.839   1.169
  170    H1*    U  16           H1*        U  16  23.991  11.981   1.889
  171    H3     U  16           H3         U  16  25.089  12.127   6.363
  172    H5     U  16           H5         U  16  28.667  12.875   4.263
  173    H6     U  16           H6         U  16  27.359  13.030   2.223
  174   1H5*    A  17          1H5*        A  17  21.822  17.791   1.144
  175   2H5*    A  17          2H5*        A  17  22.219  19.310   1.973
  176    H4*    A  17           H4*        A  17  20.507  17.603   3.035
  177    H3*    A  17           H3*        A  17  22.678  19.027   4.665
  178    H2*    A  17           H2*        A  17  21.752  17.939   6.565
  179   2HO*    A  17          2HO*        A  17  19.571  16.976   5.031
  180    H1*    A  17           H1*        A  17  21.265  15.518   5.319
  181    H8     A  17           H8         A  17  24.666  16.382   4.116
  182   1H6     A  17          1H6         A  17  26.825  14.957   9.739
  183   2H6     A  17          2H6         A  17  27.265  15.341   8.089
  184    H2     A  17           H2         A  17  22.344  15.110   9.969
  185   1H5*    U  18          1H5*        U  18  20.893  23.494   7.073
  186   2H5*    U  18          2H5*        U  18  22.303  22.456   6.790
  187    H4*    U  18           H4*        U  18  20.041  21.956   8.757
  188    H3*    U  18           H3*        U  18  22.923  22.862   9.107
  189    H2*    U  18           H2*        U  18  23.256  21.388  10.878
  190   2HO*    U  18          2HO*        U  18  21.121  22.060  11.799
  191    H1*    U  18           H1*        U  18  21.772  19.263  10.007
  192    H3     U  18           H3         U  18  26.247  18.287  10.092
  193    H5     U  18           H5         U  18  25.348  19.527   6.163
  194    H6     U  18           H6         U  18  23.201  20.323   6.982
  195   1H5*    U  19          1H5*        U  19  24.483  26.105  11.250
  196   2H5*    U  19          2H5*        U  19  25.601  24.997  10.426
  197    H4*    U  19           H4*        U  19  23.985  24.460  12.944
  198    H3*    U  19           H3*        U  19  26.932  24.787  12.394
  199    H2*    U  19           H2*        U  19  27.428  23.170  14.021
  200   2HO*    U  19          2HO*        U  19  26.016  22.592  15.635
  201    H1*    U  19           H1*        U  19  25.292  21.475  13.514
  202    H3     U  19           H3         U  19  29.629  19.865  12.494
  203    H5     U  19           H5         U  19  27.722  21.035   8.923
  204    H6     U  19           H6         U  19  26.001  22.098  10.262
  205   1H5*    A  20          1H5*        A  20  29.215  27.456  15.922
  206   2H5*    A  20          2H5*        A  20  29.315  25.686  15.827
  207    H4*    A  20           H4*        A  20  29.459  27.269  18.141
  208    H3*    A  20           H3*        A  20  30.187  24.692  17.675
  209    H2*    A  20           H2*        A  20  27.967  23.857  17.465
  210   2HO*    A  20          2HO*        A  20  28.762  23.602  20.185
  211    H1*    A  20           H1*        A  20  27.089  25.315  19.949
  212    H8     A  20           H8         A  20  26.070  25.275  16.196
  213   1H6     A  20          1H6         A  20  20.554  23.466  18.262
  214   2H6     A  20          2H6         A  20  21.510  23.856  16.850
  215    H2     A  20           H2         A  20  23.283  23.892  21.816
  216   1H5*    C  21          1H5*        C  21  32.571  22.139  19.851
  217   2H5*    C  21          2H5*        C  21  33.669  22.927  18.707
  218    H4*    C  21           H4*        C  21  31.717  20.792  18.266
  219    H3*    C  21           H3*        C  21  34.149  21.671  16.757
  220    H2*    C  21           H2*        C  21  33.193  21.200  14.732
  221   2HO*    C  21          2HO*        C  21  32.422  19.244  14.307
  222    H1*    C  21           H1*        C  21  30.474  20.750  15.767
  223   1H4     C  21          1H4         C  21  30.892  24.695  10.557
  224   2H4     C  21          2H4         C  21  29.578  25.467  11.415
  225    H5     C  21           H5         C  21  28.928  24.868  13.651
  226    H6     C  21           H6         C  21  29.387  23.384  15.545
  227   1H5*    G  22          1H5*        G  22  33.232  17.055  18.833
  228   2H5*    G  22          2H5*        G  22  32.365  18.562  18.476
  229    H4*    G  22           H4*        G  22  32.467  17.317  21.238
  230    H3*    G  22           H3*        G  22  30.577  16.747  18.972
  231    H2*    G  22           H2*        G  22  28.721  17.085  20.305
  232   2HO*    G  22          2HO*        G  22  28.602  16.101  22.158
  233    H1*    G  22           H1*        G  22  29.905  18.735  22.313
  234    H8     G  22           H8         G  22  28.231  20.674  22.290
  235    H1     G  22           H1         G  22  27.539  20.467  15.929
  236   1H2     G  22          1H2         G  22  28.847  18.906  15.068
  237   2H2     G  22          2H2         G  22  29.895  17.908  16.050
  238   1H5*    G  23          1H5*        G  23  30.591  12.871  18.313
  239   2H5*    G  23          2H5*        G  23  30.341  13.704  16.767
  240    H4*    G  23           H4*        G  23  29.276  14.492  19.496
  241    H3*    G  23           H3*        G  23  27.992  13.409  16.986
  242    H2*    G  23           H2*        G  23  26.157  14.866  17.223
  243   2HO*    G  23          2HO*        G  23  25.493  15.636  19.104
  244    H1*    G  23           H1*        G  23  27.505  17.107  17.970
  245    H8     G  23           H8         G  23  29.908  15.664  15.569
  246    H1     G  23           H1         G  23  24.751  18.004  12.595
  247   1H2     G  23          1H2         G  23  23.131  18.386  14.070
  248   2H2     G  23          2H2         G  23  23.326  18.069  15.779
  249   1H5*    U  24          1H5*        U  24  24.551  11.856  18.984
  250   2H5*    U  24          2H5*        U  24  24.317  10.403  17.997
  251    H4*    U  24           H4*        U  24  22.711  12.449  17.719
  252    H3*    U  24           H3*        U  24  23.829  10.904  15.323
  253    H2*    U  24           H2*        U  24  22.463  12.326  14.012
  254   2HO*    U  24          2HO*        U  24  20.746  12.144  15.836
  255    H1*    U  24           H1*        U  24  22.971  14.652  15.398
  256    H3     U  24           H3         U  24  24.847  14.482  11.133
  257    H5     U  24           H5         U  24  27.852  13.409  13.887
  258    H6     U  24           H6         U  24  26.137  13.260  15.601
  259   1H5*    A  25          1H5*        A  25  19.816   9.038  15.397
  260   2H5*    A  25          2H5*        A  25  19.993   7.472  14.582
  261    H4*    A  25           H4*        A  25  18.888   9.428  13.294
  262    H3*    A  25           H3*        A  25  21.133   7.765  12.128
  263    H2*    A  25           H2*        A  25  20.802   8.943  10.109
  264   2HO*    A  25          2HO*        A  25  18.949  10.159   9.702
  265    H1*    A  25           H1*        A  25  20.296  11.418  11.301
  266    H8     A  25           H8         A  25  23.274  10.321  13.145
  267   1H6     A  25          1H6         A  25  26.687  11.532   8.134
  268   2H6     A  25          2H6         A  25  26.725  11.178   9.847
  269    H2     A  25           H2         A  25  22.363  11.577   6.909
  270   1H5*    C  26          1H5*        C  26  17.751   6.296   9.466
  271   2H5*    C  26          2H5*        C  26  18.326   4.685   9.002
  272    H4*    C  26           H4*        C  26  18.032   6.495   7.166
  273    H3*    C  26           H3*        C  26  20.521   4.785   7.426
  274    H2*    C  26           H2*        C  26  21.264   5.789   5.415
  275   2HO*    C  26          2HO*        C  26  19.913   6.425   3.925
  276    H1*    C  26           H1*        C  26  20.432   8.350   6.039
  277   1H4     C  26          1H4         C  26  26.618   7.893   7.600
  278   2H4     C  26          2H4         C  26  26.160   7.423   9.222
  279    H5     C  26           H5         C  26  23.876   7.016   9.883
  280    H6     C  26           H6         C  26  21.544   6.954   9.126
  281   1H5*    C  27          1H5*        C  27  18.932   3.691   3.874
  282   2H5*    C  27          2H5*        C  27  18.965   1.983   3.401
  283    H4*    C  27           H4*        C  27  20.237   3.345   1.820
  284    H3*    C  27           H3*        C  27  22.074   1.632   3.565
  285    H2*    C  27           H2*        C  27  23.794   2.297   2.024
  286   2HO*    C  27          2HO*        C  27  22.040   2.205   0.209
  287    H1*    C  27           H1*        C  27  22.966   4.929   1.973
  288   1H4     C  27          1H4         C  27  27.610   4.323   6.342
  289   2H4     C  27          2H4         C  27  26.409   3.966   7.562
  290    H5     C  27           H5         C  27  24.057   3.745   7.074
  291    H6     C  27           H6         C  27  22.362   3.753   5.299
  292   1H5*    U  28          1H5*        U  28  24.254  -2.063   1.896
  293   2H5*    U  28          2H5*        U  28  24.406  -1.456   3.555
  294    H4*    U  28           H4*        U  28  26.036  -0.612   1.137
  295    H3*    U  28           H3*        U  28  26.665  -2.217   3.630
  296    H2*    U  28           H2*        U  28  28.826  -1.267   3.685
  297   2HO*    U  28          2HO*        U  28  29.750  -0.243   1.923
  298    H1*    U  28           H1*        U  28  28.114   1.291   2.974
  299    H3     U  28           H3         U  28  29.432   1.207   7.369
  300    H5     U  28           H5         U  28  25.325   0.254   7.394
  301    H6     U  28           H6         U  28  25.415   0.098   4.973
  302   1H5*    U  29          1H5*        U  29  27.485  -6.139   4.089
  303   2H5*    U  29          2H5*        U  29  27.489  -4.863   5.321
  304    H4*    U  29           H4*        U  29  29.208  -4.921   2.822
  305    H3*    U  29           H3*        U  29  29.773  -5.690   5.663
  306    H2*    U  29           H2*        U  29  31.803  -4.516   5.700
  307   2HO*    U  29          2HO*        U  29  32.479  -3.587   3.493
  308    H1*    U  29           H1*        U  29  31.067  -2.307   4.272
  309    H3     U  29           H3         U  29  31.615  -1.696   8.905
  310    H5     U  29           H5         U  29  27.488  -1.847   8.058
  311    H6     U  29           H6         U  29  28.041  -2.637   5.829
  312   1H5*    U  30          1H5*        U  30  31.883 -10.495   5.623
  313   2H5*    U  30          2H5*        U  30  31.366  -9.103   6.596
  314    H4*    U  30           H4*        U  30  34.120  -9.375   5.343
  315    H3*    U  30           H3*        U  30  33.121 -10.226   8.055
  316    H2*    U  30           H2*        U  30  35.013  -9.309   9.110
  317   2HO*    U  30          2HO*        U  30  36.918  -9.198   8.169
  318    H1*    U  30           H1*        U  30  35.268  -7.037   7.591
  319    H3     U  30           H3         U  30  33.754  -6.409  11.995
  320    H5     U  30           H5         U  30  30.433  -6.194   9.407
  321    H6     U  30           H6         U  30  31.843  -7.053   7.629
  322   1H5*    G  31          1H5*        G  31  36.449 -13.034   7.330
  323   2H5*    G  31          2H5*        G  31  36.109 -14.669   7.931
  324    H4*    G  31           H4*        G  31  37.917 -13.508   9.197
  325    H3*    G  31           H3*        G  31  35.393 -14.330  10.641
  326    H2*    G  31           H2*        G  31  36.274 -13.459  12.652
  327   2HO*    G  31          2HO*        G  31  38.629 -14.115  11.500
  328    H1*    G  31           H1*        G  31  37.399 -11.187  11.598
  329    H8     G  31           H8         G  31  34.189 -11.451   9.735
  330    H1     G  31           H1         G  31  33.292  -9.632  15.811
  331   1H2     G  31          1H2         G  31  35.149  -9.950  16.984
  332   2H2     G  31          2H2         G  31  36.609 -10.604  16.273
  333   1H5*    U  32          1H5*        U  32  38.215 -16.830  12.919
  334   2H5*    U  32          2H5*        U  32  37.308 -18.295  13.341
  335    H4*    U  32           H4*        U  32  38.069 -16.646  15.228
  336    H3*    U  32           H3*        U  32  35.313 -17.889  15.033
  337    H2*    U  32           H2*        U  32  34.747 -16.772  17.029
  338   2HO*    U  32          2HO*        U  32  36.853 -17.440  17.991
  339    H1*    U  32           H1*        U  32  36.207 -14.439  16.544
  340    H3     U  32           H3         U  32  31.627 -13.719  16.873
  341    H5     U  32           H5         U  32  32.508 -14.293  12.791
  342    H6     U  32           H6         U  32  34.732 -15.020  13.440
  343   1H5*    G  33          1H5*        G  33  34.574 -21.082  18.924
  344   2H5*    G  33          2H5*        G  33  33.587 -19.931  18.004
  345    H4*    G  33           H4*        G  33  34.763 -19.529  20.773
  346    H3*    G  33           H3*        G  33  31.867 -19.968  19.817
  347    H2*    G  33           H2*        G  33  31.138 -18.426  21.466
  348   2HO*    G  33          2HO*        G  33  32.859 -19.344  22.996
  349    H1*    G  33           H1*        G  33  32.978 -16.518  21.017
  350    H8     G  33           H8         G  33  32.746 -17.787  17.573
  351    H1     G  33           H1         G  33  27.340 -14.813  19.284
  352   1H2     G  33          1H2         G  33  27.308 -14.489  21.480
  353   2H2     G  33          2H2         G  33  28.616 -15.000  22.523
  354   1H5*    C  34          1H5*        C  34  30.743 -20.691  23.901
  355   2H5*    C  34          2H5*        C  34  29.958 -22.276  23.750
  356    H4*    C  34           H4*        C  34  28.482 -20.470  24.694
  357    H3*    C  34           H3*        C  34  27.686 -21.857  22.118
  358    H2*    C  34           H2*        C  34  25.732 -20.565  22.042
  359   2HO*    C  34          2HO*        C  34  24.779 -20.642  23.953
  360    H1*    C  34           H1*        C  34  26.813 -18.230  23.141
  361   1H4     C  34          1H4         C  34  26.189 -17.299  16.858
  362   2H4     C  34          2H4         C  34  27.760 -18.023  16.596
  363    H5     C  34           H5         C  34  29.059 -19.035  18.363
  364    H6     C  34           H6         C  34  29.115 -19.586  20.752
  365   1H5*    G  35          1H5*        G  35  23.745 -23.171  23.495
  366   2H5*    G  35          2H5*        G  35  23.864 -24.732  22.661
  367    H4*    G  35           H4*        G  35  22.226 -22.874  21.780
  368    H3*    G  35           H3*        G  35  24.057 -24.518  20.008
  369    H2*    G  35           H2*        G  35  23.124 -23.421  18.146
  370   2HO*    G  35          2HO*        G  35  20.953 -23.092  19.857
  371    H1*    G  35           H1*        G  35  22.866 -20.917  19.363
  372    H8     G  35           H8         G  35  26.305 -21.957  20.231
  373    H1     G  35           H1         G  35  25.772 -20.523  14.015
  374   1H2     G  35          1H2         G  35  23.638 -20.372  13.451
  375   2H2     G  35          2H2         G  35  22.341 -20.628  14.597
  376   1H5*    C  36          1H5*        C  36  19.747 -26.179  18.741
  377   2H5*    C  36          2H5*        C  36  20.247 -27.793  18.197
  378    H4*    C  36           H4*        C  36  19.005 -26.198  16.542
  379    H3*    C  36           H3*        C  36  21.492 -27.796  15.839
  380    H2*    C  36           H2*        C  36  21.283 -26.965  13.617
  381   2HO*    C  36          2HO*        C  36  19.075 -25.394  13.899
  382    H1*    C  36           H1*        C  36  20.817 -24.377  14.338
  383   1H4     C  36          1H4         C  36  27.169 -25.006  13.871
  384   2H4     C  36          2H4         C  36  27.244 -25.363  15.581
  385    H5     C  36           H5         C  36  25.284 -25.639  16.960
  386    H6     C  36           H6         C  36  22.833 -25.643  16.990
  387   1H5*    C  37          1H5*        C  37  18.823 -30.661  13.684
  388   2H5*    C  37          2H5*        C  37  19.773 -32.160  13.737
  389    H4*    C  37           H4*        C  37  19.654 -30.717  11.531
  390    H3*    C  37           H3*        C  37  22.245 -31.945  12.602
  391    H2*    C  37           H2*        C  37  23.289 -31.104  10.639
  392   2HO*    C  37          2HO*        C  37  21.306 -29.972   9.262
  393    H1*    C  37           H1*        C  37  21.941 -28.685  10.619
  394   1H4     C  37          1H4         C  37  27.752 -28.209  13.411
  395   2H4     C  37          2H4         C  37  26.934 -28.172  14.956
  396    H5     C  37           H5         C  37  24.552 -28.415  15.194
  397    H6     C  37           H6         C  37  22.453 -28.905  14.023
  398   1H5*    C  38          1H5*        C  38  21.965 -32.086   7.697
  399   2H5*    C  38          2H5*        C  38  21.450 -33.770   7.949
  400    H4*    C  38           H4*        C  38  22.991 -33.671   6.076
  401    H3*    C  38           H3*        C  38  23.911 -35.035   8.581
  402    H2*    C  38           H2*        C  38  26.107 -35.255   7.863
  403   2HO*    C  38          2HO*        C  38  24.986 -35.736   5.549
  404    H1*    C  38           H1*        C  38  26.389 -32.913   6.447
  405   1H4     C  38          1H4         C  38  28.861 -31.306  12.064
  406   2H4     C  38          2H4         C  38  27.316 -31.494  12.860
  407    H5     C  38           H5         C  38  25.328 -32.255  11.722
  408    H6     C  38           H6         C  38  24.399 -32.990   9.574
  409    H3T    C  38           H3T        C  38  23.144 -36.627   7.450
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  38.376 -28.300  10.615
    2   2H5*    G   1          2H5*        G   1  36.824 -28.667  11.395
    3    H4*    G   1           H4*        G   1  37.782 -29.545   8.653
    4    H3*    G   1           H3*        G   1  35.616 -27.674   9.619
    5    H2*    G   1           H2*        G   1  34.127 -28.440   7.972
    6   2HO*    G   1          2HO*        G   1  35.476 -30.118   6.453
    7    H1*    G   1           H1*        G   1  34.795 -31.103   8.010
    8    H8     G   1           H8         G   1  34.749 -29.756  11.561
    9    H1     G   1           H1         G   1  28.938 -31.234   9.315
   10   1H2     G   1          1H2         G   1  29.048 -31.660   7.140
   11   2H2     G   1          2H2         G   1  30.545 -31.571   6.239
   12    H5T    G   1           H5T        G   1  38.171 -30.911  10.633
   13   1H5*    G   2          1H5*        G   2  35.046 -27.616   5.704
   14   2H5*    G   2          2H5*        G   2  35.096 -25.952   5.090
   15    H4*    G   2           H4*        G   2  33.021 -27.015   4.408
   16    H3*    G   2           H3*        G   2  32.657 -24.905   6.567
   17    H2*    G   2           H2*        G   2  30.339 -25.277   6.462
   18   2HO*    G   2          2HO*        G   2  30.476 -26.879   4.153
   19    H1*    G   2           H1*        G   2  30.467 -28.028   5.913
   20    H8     G   2           H8         G   2  32.570 -26.605   8.817
   21    H1     G   2           H1         G   2  26.691 -28.539  10.456
   22   1H2     G   2          1H2         G   2  25.548 -29.119   8.645
   23   2H2     G   2          2H2         G   2  26.231 -29.037   7.037
   24   1H5*    G   3          1H5*        G   3  30.458 -22.669   3.073
   25   2H5*    G   3          2H5*        G   3  30.499 -21.014   3.713
   26    H4*    G   3           H4*        G   3  28.208 -22.268   3.400
   27    H3*    G   3           H3*        G   3  28.946 -20.587   5.827
   28    H2*    G   3           H2*        G   3  26.839 -21.085   6.732
   29   2HO*    G   3          2HO*        G   3  25.472 -20.588   5.098
   30    H1*    G   3           H1*        G   3  26.597 -23.678   5.674
   31    H8     G   3           H8         G   3  29.940 -23.174   7.387
   32    H1     G   3           H1         G   3  25.164 -24.460  11.454
   33   1H2     G   3          1H2         G   3  23.217 -24.380  10.391
   34   2H2     G   3          2H2         G   3  23.093 -24.016   8.686
   35   1H5*    C   4          1H5*        C   4  25.502 -18.107   4.288
   36   2H5*    C   4          2H5*        C   4  25.774 -16.484   4.959
   37    H4*    C   4           H4*        C   4  23.804 -18.031   5.826
   38    H3*    C   4           H3*        C   4  25.643 -16.367   7.541
   39    H2*    C   4           H2*        C   4  24.527 -17.102   9.474
   40   2HO*    C   4          2HO*        C   4  22.452 -17.145   9.498
   41    H1*    C   4           H1*        C   4  23.799 -19.644   8.425
   42   1H4     C   4          1H4         C   4  28.217 -20.637  12.936
   43   2H4     C   4          2H4         C   4  29.466 -20.420  11.732
   44    H5     C   4           H5         C   4  29.014 -19.748   9.467
   45    H6     C   4           H6         C   4  27.271 -19.097   7.870
   46   1H5*    U   5          1H5*        U   5  20.909 -13.501   6.379
   47   2H5*    U   5          2H5*        U   5  21.542 -13.077   4.773
   48    H4*    U   5           H4*        U   5  23.862 -13.610   6.101
   49    H3*    U   5           H3*        U   5  22.279 -13.621   8.340
   50    H2*    U   5           H2*        U   5  21.279 -11.486   7.960
   51   2HO*    U   5          2HO*        U   5  23.439 -10.271   9.154
   52    H1*    U   5           H1*        U   5  23.953 -10.317   7.200
   53    H3     U   5           H3         U   5  21.287  -6.576   7.063
   54    H5     U   5           H5         U   5  20.172  -8.921   3.741
   55    H6     U   5           H6         U   5  21.530 -10.720   4.638
   56   1H5*    A   6          1H5*        A   6  23.338 -11.178  11.814
   57   2H5*    A   6          2H5*        A   6  22.610 -12.583  12.613
   58    H4*    A   6           H4*        A   6  21.334 -10.371  11.107
   59    H3*    A   6           H3*        A   6  20.863 -11.637  13.662
   60    H2*    A   6           H2*        A   6  18.911 -12.803  13.370
   61   2HO*    A   6          2HO*        A   6  17.564 -11.614  11.438
   62    H1*    A   6           H1*        A   6  18.622 -13.080  10.657
   63    H8     A   6           H8         A   6  21.958 -14.257  10.552
   64   1H6     A   6          1H6         A   6  20.456 -19.251  13.861
   65   2H6     A   6          2H6         A   6  21.656 -18.526  12.814
   66    H2     A   6           H2         A   6  17.131 -16.259  14.286
   67   1H5*    G   7          1H5*        G   7  17.530 -11.759  14.949
   68   2H5*    G   7          2H5*        G   7  17.403 -10.291  15.939
   69    H4*    G   7           H4*        G   7  17.199 -12.031  17.498
   70    H3*    G   7           H3*        G   7  20.104 -11.149  17.419
   71    H2*    G   7           H2*        G   7  20.568 -12.732  19.120
   72   2HO*    G   7          2HO*        G   7  19.036 -13.576  20.434
   73    H1*    G   7           H1*        G   7  18.992 -14.749  18.099
   74    H8     G   7           H8         G   7  20.457 -13.526  14.982
   75    H1     G   7           H1         G   7  24.940 -16.231  18.666
   76   1H2     G   7          1H2         G   7  24.167 -16.502  20.729
   77   2H2     G   7          2H2         G   7  22.552 -16.020  21.197
   78   1H5*    C   8          1H5*        C   8  19.729 -10.256  21.560
   79   2H5*    C   8          2H5*        C   8  20.463  -8.650  21.730
   80    H4*    C   8           H4*        C   8  21.622 -10.412  23.054
   81    H3*    C   8           H3*        C   8  23.259  -9.107  20.838
   82    H2*    C   8           H2*        C   8  25.113 -10.263  21.781
   83   2HO*    C   8          2HO*        C   8  23.519 -10.224  24.047
   84    H1*    C   8           H1*        C   8  23.727 -12.618  22.236
   85   1H4     C   8          1H4         C   8  26.863 -13.175  16.688
   86   2H4     C   8          2H4         C   8  25.444 -12.590  15.849
   87    H5     C   8           H5         C   8  23.472 -11.795  16.987
   88    H6     C   8           H6         C   8  22.451 -11.362  19.171
   89   1H5*    A   9          1H5*        A   9  25.577  -7.558  24.497
   90   2H5*    A   9          2H5*        A   9  26.548  -6.297  23.716
   91    H4*    A   9           H4*        A   9  27.693  -8.426  24.761
   92    H3*    A   9           H3*        A   9  28.461  -7.437  21.973
   93    H2*    A   9           H2*        A   9  30.361  -8.914  22.296
   94   2HO*    A   9          2HO*        A   9  30.649  -8.480  24.588
   95    H1*    A   9           H1*        A   9  28.720 -10.946  23.114
   96    H8     A   9           H8         A   9  26.666  -9.159  20.564
   97   1H6     A   9          1H6         A   9  30.183 -11.674  16.162
   98   2H6     A   9          2H6         A   9  28.744 -10.735  16.495
   99    H2     A   9           H2         A   9  32.111 -12.540  20.136
  100   1H5*    C  10          1H5*        C  10  31.757  -5.104  24.303
  101   2H5*    C  10          2H5*        C  10  32.433  -3.942  23.144
  102    H4*    C  10           H4*        C  10  33.909  -5.919  24.037
  103    H3*    C  10           H3*        C  10  33.835  -5.023  21.110
  104    H2*    C  10           H2*        C  10  35.512  -6.663  20.696
  105   2HO*    C  10          2HO*        C  10  36.371  -6.187  23.031
  106    H1*    C  10           H1*        C  10  34.242  -8.667  21.976
  107   1H4     C  10          1H4         C  10  31.794  -8.113  16.034
  108   2H4     C  10          2H4         C  10  30.314  -7.565  16.787
  109    H5     C  10           H5         C  10  30.123  -7.107  19.146
  110    H6     C  10           H6         C  10  31.314  -7.068  21.286
  111   1H5*    U  11          1H5*        U  11  36.676  -1.827  19.380
  112   2H5*    U  11          2H5*        U  11  35.132  -2.585  18.953
  113    H4*    U  11           H4*        U  11  37.915  -3.530  18.199
  114    H3*    U  11           H3*        U  11  35.710  -2.123  16.698
  115    H2*    U  11           H2*        U  11  36.066  -3.471  14.799
  116   2HO*    U  11          2HO*        U  11  38.430  -3.221  15.006
  117    H1*    U  11           H1*        U  11  36.495  -5.864  16.046
  118    H3     U  11           H3         U  11  32.352  -5.443  13.904
  119    H5     U  11           H5         U  11  31.764  -4.941  18.047
  120    H6     U  11           H6         U  11  34.171  -4.792  18.303
  121   1H5*    C  12          1H5*        C  12  39.528  -2.574  13.616
  122   2H5*    C  12          2H5*        C  12  39.512  -0.827  13.300
  123    H4*    C  12           H4*        C  12  39.510  -2.374  11.256
  124    H3*    C  12           H3*        C  12  37.405  -0.215  11.629
  125    H2*    C  12           H2*        C  12  36.431  -0.835   9.562
  126   2HO*    C  12          2HO*        C  12  38.135  -2.756   8.703
  127    H1*    C  12           H1*        C  12  36.735  -3.558   9.851
  128   1H4     C  12          1H4         C  12  30.775  -2.341  11.726
  129   2H4     C  12          2H4         C  12  31.347  -1.681  13.241
  130    H5     C  12           H5         C  12  33.691  -1.454  13.780
  131    H6     C  12           H6         C  12  35.982  -1.772  12.960
  132   1H5*    U  13          1H5*        U  13  37.589   3.174   8.124
  133   2H5*    U  13          2H5*        U  13  36.049   2.503   8.703
  134    H4*    U  13           H4*        U  13  37.469   1.875   6.098
  135    H3*    U  13           H3*        U  13  34.943   3.372   6.790
  136    H2*    U  13           H2*        U  13  33.837   2.450   4.927
  137   2HO*    U  13          2HO*        U  13  35.571   1.044   3.576
  138    H1*    U  13           H1*        U  13  34.908  -0.085   5.040
  139    H3     U  13           H3         U  13  30.417  -0.162   6.115
  140    H5     U  13           H5         U  13  32.497   0.383   9.742
  141    H6     U  13           H6         U  13  34.520   0.747   8.450
  142   1H5*    G  14          1H5*        G  14  36.672   6.160   3.176
  143   2H5*    G  14          2H5*        G  14  35.917   7.708   3.609
  144    H4*    G  14           H4*        G  14  35.303   6.643   1.333
  145    H3*    G  14           H3*        G  14  33.267   7.683   3.326
  146    H2*    G  14           H2*        G  14  31.518   7.029   1.864
  147   2HO*    G  14          2HO*        G  14  32.067   7.527  -0.156
  148    H1*    G  14           H1*        G  14  32.507   4.577   1.237
  149    H8     G  14           H8         G  14  33.631   4.946   4.761
  150    H1     G  14           H1         G  14  27.326   3.902   4.381
  151   1H2     G  14          1H2         G  14  26.639   4.144   2.283
  152   2H2     G  14          2H2         G  14  27.729   4.558   0.979
  153   1H5*    G  15          1H5*        G  15  32.768  10.689   0.066
  154   2H5*    G  15          2H5*        G  15  31.881  12.071   0.739
  155    H4*    G  15           H4*        G  15  30.640  10.328  -0.778
  156    H3*    G  15           H3*        G  15  29.532  11.477   1.802
  157    H2*    G  15           H2*        G  15  27.540  10.245   1.376
  158   2HO*    G  15          2HO*        G  15  28.540  10.224  -1.235
  159    H1*    G  15           H1*        G  15  28.784   7.920   0.668
  160    H8     G  15           H8         G  15  31.143   8.724   3.269
  161    H1     G  15           H1         G  15  25.331   7.903   5.830
  162   1H2     G  15          1H2         G  15  23.783   7.949   4.234
  163   2H2     G  15          2H2         G  15  24.183   8.179   2.546
  164   1H5*    U  16          1H5*        U  16  27.159  12.741  -0.873
  165   2H5*    U  16          2H5*        U  16  26.599  14.393  -1.208
  166    H4*    U  16           H4*        U  16  24.676  13.177  -0.537
  167    H3*    U  16           H3*        U  16  25.732  14.797   1.821
  168    H2*    U  16           H2*        U  16  23.838  14.052   3.041
  169   2HO*    U  16          2HO*        U  16  22.002  13.405   2.116
  170    H1*    U  16           H1*        U  16  23.877  11.461   2.071
  171    H3     U  16           H3         U  16  24.920  11.622   6.565
  172    H5     U  16           H5         U  16  28.566  12.066   4.496
  173    H6     U  16           H6         U  16  27.295  12.280   2.438
  174   1H5*    A  17          1H5*        A  17  22.107  17.487   1.120
  175   2H5*    A  17          2H5*        A  17  22.587  18.979   1.955
  176    H4*    A  17           H4*        A  17  20.724  17.414   2.972
  177    H3*    A  17           H3*        A  17  22.945  18.699   4.641
  178    H2*    A  17           H2*        A  17  21.923  17.688   6.531
  179   2HO*    A  17          2HO*        A  17  19.844  17.052   6.585
  180    H1*    A  17           H1*        A  17  21.303  15.288   5.311
  181    H8     A  17           H8         A  17  24.756  15.915   4.117
  182   1H6     A  17          1H6         A  17  26.793  14.458   9.778
  183   2H6     A  17          2H6         A  17  27.263  14.784   8.124
  184    H2     A  17           H2         A  17  22.329  14.900   9.978
  185   1H5*    U  18          1H5*        U  18  21.164  23.320   6.942
  186   2H5*    U  18          2H5*        U  18  22.580  22.265   6.783
  187    H4*    U  18           H4*        U  18  20.214  21.905   8.650
  188    H3*    U  18           H3*        U  18  23.132  22.651   9.079
  189    H2*    U  18           H2*        U  18  23.325  21.208  10.897
  190   2HO*    U  18          2HO*        U  18  21.193  22.024  11.721
  191    H1*    U  18           H1*        U  18  21.758  19.145  10.032
  192    H3     U  18           H3         U  18  26.163  17.924  10.256
  193    H5     U  18           H5         U  18  25.447  19.147   6.283
  194    H6     U  18           H6         U  18  23.326  20.072   7.026
  195   1H5*    U  19          1H5*        U  19  24.671  25.938  11.237
  196   2H5*    U  19          2H5*        U  19  25.843  24.906  10.390
  197    H4*    U  19           H4*        U  19  24.379  24.366  12.987
  198    H3*    U  19           H3*        U  19  27.293  24.511  12.191
  199    H2*    U  19           H2*        U  19  27.808  22.925  13.849
  200   2HO*    U  19          2HO*        U  19  26.430  22.445  15.546
  201    H1*    U  19           H1*        U  19  25.554  21.344  13.519
  202    H3     U  19           H3         U  19  29.698  19.436  12.270
  203    H5     U  19           H5         U  19  27.677  20.699   8.794
  204    H6     U  19           H6         U  19  26.109  21.887  10.212
  205   1H5*    A  20          1H5*        A  20  29.590  27.426  15.765
  206   2H5*    A  20          2H5*        A  20  30.404  25.856  15.616
  207    H4*    A  20           H4*        A  20  30.115  27.036  17.971
  208    H3*    A  20           H3*        A  20  30.784  24.379  17.358
  209    H2*    A  20           H2*        A  20  28.566  23.569  17.480
  210   2HO*    A  20          2HO*        A  20  28.921  23.511  20.258
  211    H1*    A  20           H1*        A  20  28.040  25.347  19.873
  212    H8     A  20           H8         A  20  26.570  23.981  16.547
  213   1H6     A  20          1H6         A  20  21.184  24.010  19.539
  214   2H6     A  20          2H6         A  20  22.014  23.569  18.063
  215    H2     A  20           H2         A  20  24.291  25.767  22.280
  216   1H5*    C  21          1H5*        C  21  33.090  21.643  19.413
  217   2H5*    C  21          2H5*        C  21  34.187  22.334  18.209
  218    H4*    C  21           H4*        C  21  32.092  20.315  17.898
  219    H3*    C  21           H3*        C  21  34.510  21.024  16.283
  220    H2*    C  21           H2*        C  21  33.456  20.578  14.302
  221   2HO*    C  21          2HO*        C  21  32.565  18.663  13.943
  222    H1*    C  21           H1*        C  21  30.751  20.310  15.429
  223   1H4     C  21          1H4         C  21  31.248  24.169  10.162
  224   2H4     C  21          2H4         C  21  30.007  25.027  11.048
  225    H5     C  21           H5         C  21  29.391  24.491  13.310
  226    H6     C  21           H6         C  21  29.816  23.001  15.208
  227   1H5*    G  22          1H5*        G  22  33.463  16.492  18.520
  228   2H5*    G  22          2H5*        G  22  32.660  18.035  18.163
  229    H4*    G  22           H4*        G  22  32.861  16.861  20.952
  230    H3*    G  22           H3*        G  22  30.811  16.380  18.810
  231    H2*    G  22           H2*        G  22  29.056  16.858  20.240
  232   2HO*    G  22          2HO*        G  22  30.757  15.668  22.091
  233    H1*    G  22           H1*        G  22  30.444  18.487  22.122
  234    H8     G  22           H8         G  22  28.907  20.538  22.104
  235    H1     G  22           H1         G  22  27.897  20.164  15.795
  236   1H2     G  22          1H2         G  22  29.056  18.490  14.931
  237   2H2     G  22          2H2         G  22  30.080  17.456  15.900
  238   1H5*    G  23          1H5*        G  23  30.503  12.415  18.328
  239   2H5*    G  23          2H5*        G  23  30.177  13.152  16.747
  240    H4*    G  23           H4*        G  23  29.246  14.057  19.480
  241    H3*    G  23           H3*        G  23  27.863  13.049  17.002
  242    H2*    G  23           H2*        G  23  26.138  14.632  17.208
  243   2HO*    G  23          2HO*        G  23  26.844  14.523  19.871
  244    H1*    G  23           H1*        G  23  27.616  16.793  17.929
  245    H8     G  23           H8         G  23  29.959  15.173  15.588
  246    H1     G  23           H1         G  23  24.979  17.743  12.502
  247   1H2     G  23          1H2         G  23  23.367  18.244  13.948
  248   2H2     G  23          2H2         G  23  23.522  17.947  15.665
  249   1H5*    U  24          1H5*        U  24  24.350  11.744  19.069
  250   2H5*    U  24          2H5*        U  24  24.027  10.282  18.121
  251    H4*    U  24           H4*        U  24  22.529  12.403  17.809
  252    H3*    U  24           H3*        U  24  23.558  10.738  15.461
  253    H2*    U  24           H2*        U  24  22.265  12.183  14.097
  254   2HO*    U  24          2HO*        U  24  20.535  12.153  15.913
  255    H1*    U  24           H1*        U  24  22.898  14.522  15.404
  256    H3     U  24           H3         U  24  24.777  14.111  11.159
  257    H5     U  24           H5         U  24  27.705  12.944  13.959
  258    H6     U  24           H6         U  24  25.979  12.953  15.667
  259   1H5*    A  25          1H5*        A  25  19.437   9.117  15.617
  260   2H5*    A  25          2H5*        A  25  19.488   7.515  14.856
  261    H4*    A  25           H4*        A  25  18.491   9.474  13.507
  262    H3*    A  25           H3*        A  25  20.641   7.659  12.390
  263    H2*    A  25           H2*        A  25  20.373   8.790  10.333
  264   2HO*    A  25          2HO*        A  25  18.148  10.254  11.258
  265    H1*    A  25           H1*        A  25  20.031  11.326  11.434
  266    H8     A  25           H8         A  25  22.906  10.054  13.350
  267   1H6     A  25          1H6         A  25  26.451  10.937   8.362
  268   2H6     A  25          2H6         A  25  26.445  10.607  10.080
  269    H2     A  25           H2         A  25  22.155  11.280   7.087
  270   1H5*    C  26          1H5*        C  26  17.243   6.313   9.742
  271   2H5*    C  26          2H5*        C  26  17.723   4.657   9.332
  272    H4*    C  26           H4*        C  26  17.600   6.452   7.453
  273    H3*    C  26           H3*        C  26  19.955   4.575   7.805
  274    H2*    C  26           H2*        C  26  20.798   5.473   5.782
  275   2HO*    C  26          2HO*        C  26  19.525   6.186   4.256
  276    H1*    C  26           H1*        C  26  20.123   8.101   6.336
  277   1H4     C  26          1H4         C  26  26.256   7.290   7.959
  278   2H4     C  26          2H4         C  26  25.757   6.891   9.588
  279    H5     C  26           H5         C  26  23.449   6.646  10.238
  280    H6     C  26           H6         C  26  21.122   6.713   9.462
  281   1H5*    C  27          1H5*        C  27  18.352   3.415   4.206
  282   2H5*    C  27          2H5*        C  27  18.367   1.680   3.843
  283    H4*    C  27           H4*        C  27  19.698   2.982   2.223
  284    H3*    C  27           H3*        C  27  21.414   1.197   4.019
  285    H2*    C  27           H2*        C  27  23.186   1.739   2.490
  286   2HO*    C  27          2HO*        C  27  22.838   2.515   0.498
  287    H1*    C  27           H1*        C  27  22.500   4.412   2.376
  288   1H4     C  27          1H4         C  27  27.083   3.635   6.786
  289   2H4     C  27          2H4         C  27  25.853   3.393   8.009
  290    H5     C  27           H5         C  27  23.495   3.309   7.509
  291    H6     C  27           H6         C  27  21.814   3.372   5.723
  292   1H5*    U  28          1H5*        U  28  23.209  -2.899   1.653
  293   2H5*    U  28          2H5*        U  28  23.329  -2.477   3.372
  294    H4*    U  28           H4*        U  28  25.176  -1.649   1.116
  295    H3*    U  28           H3*        U  28  25.531  -3.308   3.633
  296    H2*    U  28           H2*        U  28  27.768  -2.550   3.762
  297   2HO*    U  28          2HO*        U  28  27.422  -1.597   1.093
  298    H1*    U  28           H1*        U  28  27.277   0.058   3.019
  299    H3     U  28           H3         U  28  28.499  -0.054   7.436
  300    H5     U  28           H5         U  28  24.346  -0.783   7.396
  301    H6     U  28           H6         U  28  24.467  -0.961   4.978
  302   1H5*    U  29          1H5*        U  29  27.453  -7.167   4.065
  303   2H5*    U  29          2H5*        U  29  27.632  -6.065   5.445
  304    H4*    U  29           H4*        U  29  29.309  -6.118   2.919
  305    H3*    U  29           H3*        U  29  29.800  -6.991   5.744
  306    H2*    U  29           H2*        U  29  31.921  -5.996   5.815
  307   2HO*    U  29          2HO*        U  29  32.377  -6.881   3.606
  308    H1*    U  29           H1*        U  29  31.393  -3.706   4.422
  309    H3     U  29           H3         U  29  31.974  -3.116   9.031
  310    H5     U  29           H5         U  29  27.834  -3.107   8.236
  311    H6     U  29           H6         U  29  28.330  -3.904   5.996
  312   1H5*    U  30          1H5*        U  30  32.707 -10.579   6.451
  313   2H5*    U  30          2H5*        U  30  32.355  -9.104   7.373
  314    H4*    U  30           H4*        U  30  34.928  -9.650   5.847
  315    H3*    U  30           H3*        U  30  34.189 -10.110   8.722
  316    H2*    U  30           H2*        U  30  36.104  -9.032   9.542
  317   2HO*    U  30          2HO*        U  30  37.569 -10.120   8.134
  318    H1*    U  30           H1*        U  30  36.272  -6.970   7.768
  319    H3     U  30           H3         U  30  34.687  -6.043  12.137
  320    H5     U  30           H5         U  30  31.478  -5.814   9.411
  321    H6     U  30           H6         U  30  32.906  -6.852   7.745
  322   1H5*    G  31          1H5*        G  31  37.618 -12.306   8.526
  323   2H5*    G  31          2H5*        G  31  37.521 -14.036   8.915
  324    H4*    G  31           H4*        G  31  39.052 -12.998  10.462
  325    H3*    G  31           H3*        G  31  36.385 -13.753  11.660
  326    H2*    G  31           H2*        G  31  37.099 -12.920  13.751
  327   2HO*    G  31          2HO*        G  31  39.094 -13.574  14.147
  328    H1*    G  31           H1*        G  31  38.393 -10.679  12.827
  329    H8     G  31           H8         G  31  35.326 -10.903  10.700
  330    H1     G  31           H1         G  31  34.029  -8.872  16.635
  331   1H2     G  31          1H2         G  31  35.785  -9.198  17.952
  332   2H2     G  31          2H2         G  31  37.275  -9.909  17.372
  333   1H5*    U  32          1H5*        U  32  38.853 -16.328  14.064
  334   2H5*    U  32          2H5*        U  32  37.916 -17.780  14.467
  335    H4*    U  32           H4*        U  32  38.474 -16.048  16.340
  336    H3*    U  32           H3*        U  32  35.738 -17.273  15.910
  337    H2*    U  32           H2*        U  32  34.963 -16.047  17.753
  338   2HO*    U  32          2HO*        U  32  36.789 -16.724  19.075
  339    H1*    U  32           H1*        U  32  36.599 -13.787  17.381
  340    H3     U  32           H3         U  32  32.063 -12.785  17.318
  341    H5     U  32           H5         U  32  33.220 -13.556  13.338
  342    H6     U  32           H6         U  32  35.338 -14.388  14.184
  343   1H5*    G  33          1H5*        G  33  34.336 -20.577  18.459
  344   2H5*    G  33          2H5*        G  33  33.028 -19.677  17.667
  345    H4*    G  33           H4*        G  33  34.654 -18.945  20.091
  346    H3*    G  33           H3*        G  33  31.694 -19.077  19.443
  347    H2*    G  33           H2*        G  33  31.284 -17.288  20.937
  348   2HO*    G  33          2HO*        G  33  33.546 -16.582  21.999
  349    H1*    G  33           H1*        G  33  33.354 -15.709  20.187
  350    H8     G  33           H8         G  33  32.741 -16.920  16.853
  351    H1     G  33           H1         G  33  27.609 -13.699  18.920
  352   1H2     G  33          1H2         G  33  27.721 -13.412  21.119
  353   2H2     G  33          2H2         G  33  29.060 -14.006  22.076
  354   1H5*    C  34          1H5*        C  34  30.365 -22.104  22.846
  355   2H5*    C  34          2H5*        C  34  29.115 -22.562  21.671
  356    H4*    C  34           H4*        C  34  28.728 -20.948  23.877
  357    H3*    C  34           H3*        C  34  27.041 -21.297  21.379
  358    H2*    C  34           H2*        C  34  25.756 -19.441  22.006
  359   2HO*    C  34          2HO*        C  34  26.964 -19.211  24.543
  360    H1*    C  34           H1*        C  34  27.753 -17.845  23.012
  361   1H4     C  34          1H4         C  34  26.539 -16.311  16.884
  362   2H4     C  34          2H4         C  34  28.082 -17.027  16.478
  363    H5     C  34           H5         C  34  29.435 -18.239  18.069
  364    H6     C  34           H6         C  34  29.582 -19.041  20.384
  365   1H5*    G  35          1H5*        G  35  22.709 -23.150  22.603
  366   2H5*    G  35          2H5*        G  35  23.467 -24.468  21.687
  367    H4*    G  35           H4*        G  35  21.703 -22.544  20.700
  368    H3*    G  35           H3*        G  35  23.623 -24.337  19.122
  369    H2*    G  35           H2*        G  35  22.816 -23.232  17.195
  370   2HO*    G  35          2HO*        G  35  20.906 -21.606  18.188
  371    H1*    G  35           H1*        G  35  22.626 -20.711  18.386
  372    H8     G  35           H8         G  35  25.962 -21.903  19.428
  373    H1     G  35           H1         G  35  25.804 -20.517  13.182
  374   1H2     G  35          1H2         G  35  23.708 -20.273  12.511
  375   2H2     G  35          2H2         G  35  22.347 -20.454  13.594
  376   1H5*    C  36          1H5*        C  36  19.326 -25.619  17.899
  377   2H5*    C  36          2H5*        C  36  19.456 -27.320  17.415
  378    H4*    C  36           H4*        C  36  18.396 -25.756  15.718
  379    H3*    C  36           H3*        C  36  20.801 -27.470  15.023
  380    H2*    C  36           H2*        C  36  20.672 -26.658  12.790
  381   2HO*    C  36          2HO*        C  36  18.792 -25.035  12.472
  382    H1*    C  36           H1*        C  36  20.348 -24.043  13.456
  383   1H4     C  36          1H4         C  36  26.664 -25.051  13.242
  384   2H4     C  36          2H4         C  36  26.654 -25.392  14.958
  385    H5     C  36           H5         C  36  24.630 -25.534  16.264
  386    H6     C  36           H6         C  36  22.185 -25.391  16.202
  387   1H5*    C  37          1H5*        C  37  18.041 -30.199  12.831
  388   2H5*    C  37          2H5*        C  37  18.898 -31.751  12.936
  389    H4*    C  37           H4*        C  37  18.925 -30.350  10.702
  390    H3*    C  37           H3*        C  37  21.397 -31.705  11.882
  391    H2*    C  37           H2*        C  37  22.566 -30.968   9.949
  392   2HO*    C  37          2HO*        C  37  21.210 -29.882   8.236
  393    H1*    C  37           H1*        C  37  21.366 -28.474   9.825
  394   1H4     C  37          1H4         C  37  27.087 -28.277  12.830
  395   2H4     C  37          2H4         C  37  26.215 -28.158  14.342
  396    H5     C  37           H5         C  37  23.815 -28.255  14.491
  397    H6     C  37           H6         C  37  21.736 -28.648  13.251
  398   1H5*    C  38          1H5*        C  38  21.258 -31.960   6.930
  399   2H5*    C  38          2H5*        C  38  20.654 -33.605   7.221
  400    H4*    C  38           H4*        C  38  22.276 -33.641   5.410
  401    H3*    C  38           H3*        C  38  23.010 -34.978   7.991
  402    H2*    C  38           H2*        C  38  25.219 -35.333   7.377
  403   2HO*    C  38          2HO*        C  38  24.168 -35.818   5.028
  404    H1*    C  38           H1*        C  38  25.687 -33.053   5.906
  405   1H4     C  38          1H4         C  38  28.020 -31.420  11.576
  406   2H4     C  38          2H4         C  38  26.433 -31.489  12.309
  407    H5     C  38           H5         C  38  24.452 -32.166  11.109
  408    H6     C  38           H6         C  38  23.571 -32.915   8.947
  409    H3T    C  38           H3T        C  38  21.796 -35.555   5.721
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  38.898 -28.013  12.665
    2   2H5*    G   1          2H5*        G   1  37.908 -29.422  13.100
    3    H4*    G   1           H4*        G   1  38.918 -29.242  10.289
    4    H3*    G   1           H3*        G   1  36.787 -27.394  11.413
    5    H2*    G   1           H2*        G   1  35.422 -27.791   9.533
    6   2HO*    G   1          2HO*        G   1  37.487 -27.668   8.148
    7    H1*    G   1           H1*        G   1  35.935 -30.473   9.246
    8    H8     G   1           H8         G   1  35.597 -29.370  12.906
    9    H1     G   1           H1         G   1  30.046 -30.834  10.070
   10   1H2     G   1          1H2         G   1  30.363 -31.165   7.899
   11   2H2     G   1          2H2         G   1  31.936 -31.015   7.146
   12    H5T    G   1           H5T        G   1  39.783 -30.324  13.349
   13   1H5*    G   2          1H5*        G   2  36.795 -26.583   6.850
   14   2H5*    G   2          2H5*        G   2  36.622 -24.819   6.944
   15    H4*    G   2           H4*        G   2  34.819 -26.202   5.679
   16    H3*    G   2           H3*        G   2  34.143 -24.072   7.737
   17    H2*    G   2           H2*        G   2  31.866 -24.489   7.354
   18   2HO*    G   2          2HO*        G   2  32.194 -26.134   5.129
   19    H1*    G   2           H1*        G   2  32.105 -27.241   6.821
   20    H8     G   2           H8         G   2  33.791 -25.894  10.002
   21    H1     G   2           H1         G   2  27.680 -27.641  10.772
   22   1H2     G   2          1H2         G   2  26.782 -28.156   8.809
   23   2H2     G   2          2H2         G   2  27.686 -28.076   7.313
   24   1H5*    G   3          1H5*        G   3  32.217 -22.319   3.765
   25   2H5*    G   3          2H5*        G   3  32.228 -20.594   4.181
   26    H4*    G   3           H4*        G   3  29.964 -21.738   3.629
   27    H3*    G   3           H3*        G   3  30.429 -19.924   6.013
   28    H2*    G   3           H2*        G   3  28.206 -20.267   6.668
   29   2HO*    G   3          2HO*        G   3  27.074 -19.838   4.855
   30    H1*    G   3           H1*        G   3  27.939 -22.916   5.794
   31    H8     G   3           H8         G   3  31.104 -22.346   7.834
   32    H1     G   3           H1         G   3  25.875 -23.328  11.398
   33   1H2     G   3          1H2         G   3  24.065 -23.315  10.114
   34   2H2     G   3          2H2         G   3  24.143 -23.067   8.384
   35   1H5*    C   4          1H5*        C   4  27.213 -15.896   5.437
   36   2H5*    C   4          2H5*        C   4  28.072 -16.621   6.814
   37    H4*    C   4           H4*        C   4  25.241 -17.184   5.881
   38    H3*    C   4           H3*        C   4  26.402 -15.768   8.271
   39    H2*    C   4           H2*        C   4  24.798 -16.740   9.686
   40   2HO*    C   4          2HO*        C   4  23.323 -17.215   7.314
   41    H1*    C   4           H1*        C   4  24.605 -19.228   8.488
   42   1H4     C   4          1H4         C   4  28.508 -19.838  13.522
   43   2H4     C   4          2H4         C   4  29.872 -19.583  12.457
   44    H5     C   4           H5         C   4  29.644 -18.991  10.137
   45    H6     C   4           H6         C   4  28.059 -18.477   8.338
   46   1H5*    U   5          1H5*        U   5  23.829 -10.996   6.184
   47   2H5*    U   5          2H5*        U   5  25.112 -11.629   7.239
   48    H4*    U   5           H4*        U   5  23.232 -11.116   8.635
   49    H3*    U   5           H3*        U   5  24.250 -13.645   8.723
   50    H2*    U   5           H2*        U   5  22.738 -14.636   7.175
   51   2HO*    U   5          2HO*        U   5  20.810 -15.027   9.025
   52    H1*    U   5           H1*        U   5  20.408 -13.144   8.364
   53    H3     U   5           H3         U   5  18.359 -15.707   5.134
   54    H5     U   5           H5         U   5  20.452 -12.680   3.080
   55    H6     U   5           H6         U   5  21.523 -12.088   5.175
   56   1H5*    A   6          1H5*        A   6  22.020 -10.261  10.445
   57   2H5*    A   6          2H5*        A   6  21.597  -9.646  12.053
   58    H4*    A   6           H4*        A   6  19.689 -10.598  10.650
   59    H3*    A   6           H3*        A   6  20.267 -11.568  13.453
   60    H2*    A   6           H2*        A   6  18.513 -13.114  13.303
   61   2HO*    A   6          2HO*        A   6  16.723 -12.639  12.299
   62    H1*    A   6           H1*        A   6  18.808 -13.762  10.613
   63    H8     A   6           H8         A   6  22.178 -14.382  11.177
   64   1H6     A   6          1H6         A   6  20.965 -18.931  15.173
   65   2H6     A   6          2H6         A   6  22.180 -18.205  14.147
   66    H2     A   6           H2         A   6  17.220 -16.500  14.668
   67   1H5*    G   7          1H5*        G   7  17.510 -11.861  15.008
   68   2H5*    G   7          2H5*        G   7  17.021 -10.384  15.865
   69    H4*    G   7           H4*        G   7  16.967 -11.828  17.633
   70    H3*    G   7           H3*        G   7  19.882 -11.009  17.456
   71    H2*    G   7           H2*        G   7  20.359 -12.465  19.259
   72   2HO*    G   7          2HO*        G   7  17.552 -12.393  19.679
   73    H1*    G   7           H1*        G   7  18.749 -14.541  18.437
   74    H8     G   7           H8         G   7  20.188 -13.438  15.223
   75    H1     G   7           H1         G   7  24.608 -16.248  18.906
   76   1H2     G   7          1H2         G   7  23.847 -16.457  20.980
   77   2H2     G   7          2H2         G   7  22.256 -15.909  21.457
   78   1H5*    C   8          1H5*        C   8  19.667  -9.520  21.628
   79   2H5*    C   8          2H5*        C   8  20.668  -8.070  21.429
   80    H4*    C   8           H4*        C   8  21.559  -9.923  22.966
   81    H3*    C   8           H3*        C   8  23.282  -8.840  20.700
   82    H2*    C   8           H2*        C   8  25.036 -10.123  21.655
   83   2HO*    C   8          2HO*        C   8  25.019 -10.846  23.721
   84    H1*    C   8           H1*        C   8  23.447 -12.323  22.244
   85   1H4     C   8          1H4         C   8  26.510 -13.444  16.739
   86   2H4     C   8          2H4         C   8  25.139 -12.792  15.869
   87    H5     C   8           H5         C   8  23.245 -11.777  16.961
   88    H6     C   8           H6         C   8  22.273 -11.139  19.119
   89   1H5*    A   9          1H5*        A   9  25.856  -7.568  24.245
   90   2H5*    A   9          2H5*        A   9  26.836  -6.330  23.440
   91    H4*    A   9           H4*        A   9  27.967  -8.504  24.363
   92    H3*    A   9           H3*        A   9  28.539  -7.548  21.519
   93    H2*    A   9           H2*        A   9  30.394  -9.107  21.677
   94   2HO*    A   9          2HO*        A   9  30.821  -8.640  23.983
   95    H1*    A   9           H1*        A   9  28.747 -11.067  22.649
   96    H8     A   9           H8         A   9  26.572  -9.187  20.265
   97   1H6     A   9          1H6         A   9  29.571 -11.903  15.607
   98   2H6     A   9          2H6         A   9  28.217 -10.888  16.051
   99    H2     A   9           H2         A   9  31.777 -12.853  19.414
  100   1H5*    C  10          1H5*        C  10  32.158  -5.585  23.494
  101   2H5*    C  10          2H5*        C  10  32.806  -4.397  22.346
  102    H4*    C  10           H4*        C  10  34.177  -6.563  22.937
  103    H3*    C  10           H3*        C  10  33.820  -5.495  20.113
  104    H2*    C  10           H2*        C  10  35.396  -7.167  19.441
  105   2HO*    C  10          2HO*        C  10  36.709  -8.170  20.818
  106    H1*    C  10           H1*        C  10  34.148  -9.162  20.802
  107   1H4     C  10          1H4         C  10  31.360  -8.450  15.028
  108   2H4     C  10          2H4         C  10  29.958  -7.837  15.876
  109    H5     C  10           H5         C  10  29.938  -7.388  18.245
  110    H6     C  10           H6         C  10  31.263  -7.421  20.306
  111   1H5*    U  11          1H5*        U  11  37.746  -4.043  19.621
  112   2H5*    U  11          2H5*        U  11  37.419  -2.495  18.821
  113    H4*    U  11           H4*        U  11  38.464  -4.478  17.475
  114    H3*    U  11           H3*        U  11  36.228  -2.684  16.461
  115    H2*    U  11           H2*        U  11  36.308  -3.893  14.420
  116   2HO*    U  11          2HO*        U  11  38.643  -3.914  14.325
  117    H1*    U  11           H1*        U  11  36.605  -6.392  15.526
  118    H3     U  11           H3         U  11  32.411  -5.687  13.636
  119    H5     U  11           H5         U  11  32.078  -4.995  17.781
  120    H6     U  11           H6         U  11  34.500  -5.063  17.918
  121   1H5*    C  12          1H5*        C  12  39.718  -3.015  13.059
  122   2H5*    C  12          2H5*        C  12  39.698  -1.275  12.713
  123    H4*    C  12           H4*        C  12  39.528  -2.882  10.710
  124    H3*    C  12           H3*        C  12  37.543  -0.628  11.173
  125    H2*    C  12           H2*        C  12  36.387  -1.255   9.201
  126   2HO*    C  12          2HO*        C  12  37.434  -3.034   7.889
  127    H1*    C  12           H1*        C  12  36.573  -3.975   9.546
  128   1H4     C  12          1H4         C  12  30.884  -2.401  11.929
  129   2H4     C  12          2H4         C  12  31.629  -1.730  13.364
  130    H5     C  12           H5         C  12  34.023  -1.613  13.676
  131    H6     C  12           H6         C  12  36.207  -2.074  12.659
  132   1H5*    U  13          1H5*        U  13  37.216   2.989   8.477
  133   2H5*    U  13          2H5*        U  13  35.671   2.345   9.076
  134    H4*    U  13           H4*        U  13  37.122   1.576   6.526
  135    H3*    U  13           H3*        U  13  34.610   3.141   7.093
  136    H2*    U  13           H2*        U  13  33.496   2.109   5.295
  137   2HO*    U  13          2HO*        U  13  34.996   0.640   3.921
  138    H1*    U  13           H1*        U  13  34.515  -0.428   5.577
  139    H3     U  13           H3         U  13  30.019  -0.237   6.690
  140    H5     U  13           H5         U  13  32.182   0.298  10.269
  141    H6     U  13           H6         U  13  34.199   0.532   8.937
  142   1H5*    G  14          1H5*        G  14  36.160   4.283   3.396
  143   2H5*    G  14          2H5*        G  14  36.494   5.967   2.937
  144    H4*    G  14           H4*        G  14  35.036   5.126   1.265
  145    H3*    G  14           H3*        G  14  33.462   6.748   3.298
  146    H2*    G  14           H2*        G  14  31.523   6.381   1.966
  147   2HO*    G  14          2HO*        G  14  32.428   4.873  -0.046
  148    H1*    G  14           H1*        G  14  31.982   3.722   1.535
  149    H8     G  14           H8         G  14  33.205   4.507   5.023
  150    H1     G  14           H1         G  14  26.849   3.809   4.700
  151   1H2     G  14          1H2         G  14  26.198   3.735   2.579
  152   2H2     G  14          2H2         G  14  27.324   3.854   1.244
  153   1H5*    G  15          1H5*        G  15  32.876   9.278  -0.186
  154   2H5*    G  15          2H5*        G  15  32.256  10.844   0.376
  155    H4*    G  15           H4*        G  15  30.642   9.075  -0.730
  156    H3*    G  15           H3*        G  15  29.916  10.631   1.794
  157    H2*    G  15           H2*        G  15  27.742   9.665   1.530
  158   2HO*    G  15          2HO*        G  15  27.049   9.394  -0.439
  159    H1*    G  15           H1*        G  15  28.699   7.148   0.960
  160    H8     G  15           H8         G  15  31.102   7.953   3.550
  161    H1     G  15           H1         G  15  25.211   7.667   6.044
  162   1H2     G  15          1H2         G  15  23.696   7.704   4.418
  163   2H2     G  15          2H2         G  15  24.135   7.798   2.727
  164   1H5*    U  16          1H5*        U  16  27.518  11.928  -0.880
  165   2H5*    U  16          2H5*        U  16  27.077  13.600  -1.283
  166    H4*    U  16           H4*        U  16  25.083  12.504  -0.554
  167    H3*    U  16           H3*        U  16  26.203  14.235   1.696
  168    H2*    U  16           H2*        U  16  24.238  13.692   2.919
  169   2HO*    U  16          2HO*        U  16  23.169  12.531   0.544
  170    H1*    U  16           H1*        U  16  24.157  11.040   2.116
  171    H3     U  16           H3         U  16  25.040  11.388   6.626
  172    H5     U  16           H5         U  16  28.778  11.605   4.690
  173    H6     U  16           H6         U  16  27.598  11.752   2.573
  174   1H5*    A  17          1H5*        A  17  22.657  16.995   0.791
  175   2H5*    A  17          2H5*        A  17  23.180  18.522   1.531
  176    H4*    A  17           H4*        A  17  21.211  17.125   2.593
  177    H3*    A  17           H3*        A  17  23.442  18.425   4.244
  178    H2*    A  17           H2*        A  17  22.308  17.605   6.165
  179   2HO*    A  17          2HO*        A  17  20.183  18.240   5.330
  180    H1*    A  17           H1*        A  17  21.621  15.152   5.104
  181    H8     A  17           H8         A  17  25.139  15.589   3.984
  182   1H6     A  17          1H6         A  17  26.930  14.380   9.784
  183   2H6     A  17          2H6         A  17  27.469  14.600   8.135
  184    H2     A  17           H2         A  17  22.480  14.975   9.799
  185   1H5*    U  18          1H5*        U  18  23.048  22.640   6.294
  186   2H5*    U  18          2H5*        U  18  24.462  21.622   6.614
  187    H4*    U  18           H4*        U  18  21.716  21.490   7.868
  188    H3*    U  18           H3*        U  18  24.506  22.027   8.867
  189    H2*    U  18           H2*        U  18  24.344  20.577  10.666
  190   2HO*    U  18          2HO*        U  18  21.615  20.093  10.488
  191    H1*    U  18           H1*        U  18  22.793  18.595   9.617
  192    H3     U  18           H3         U  18  27.102  17.233  10.458
  193    H5     U  18           H5         U  18  26.887  18.225   6.364
  194    H6     U  18           H6         U  18  24.742  19.280   6.806
  195   1H5*    U  19          1H5*        U  19  25.790  25.228  11.247
  196   2H5*    U  19          2H5*        U  19  27.003  24.249  10.397
  197    H4*    U  19           H4*        U  19  25.735  23.798  13.100
  198    H3*    U  19           H3*        U  19  28.585  23.847  12.054
  199    H2*    U  19           H2*        U  19  29.209  22.372  13.782
  200   2HO*    U  19          2HO*        U  19  27.867  21.974  15.572
  201    H1*    U  19           H1*        U  19  26.933  20.800  13.715
  202    H3     U  19           H3         U  19  30.868  18.671  12.271
  203    H5     U  19           H5         U  19  28.761  19.984   8.866
  204    H6     U  19           H6         U  19  27.312  21.264  10.331
  205   1H5*    A  20          1H5*        A  20  30.881  27.168  15.445
  206   2H5*    A  20          2H5*        A  20  31.964  25.794  15.144
  207    H4*    A  20           H4*        A  20  31.774  26.673  17.561
  208    H3*    A  20           H3*        A  20  32.217  24.003  16.623
  209    H2*    A  20           H2*        A  20  30.171  23.124  17.320
  210   2HO*    A  20          2HO*        A  20  30.785  23.167  19.976
  211    H1*    A  20           H1*        A  20  30.055  25.070  19.633
  212    H8     A  20           H8         A  20  28.027  23.563  16.676
  213   1H6     A  20          1H6         A  20  23.286  23.620  20.611
  214   2H6     A  20          2H6         A  20  23.834  23.149  19.018
  215    H2     A  20           H2         A  20  26.820  25.477  22.688
  216   1H5*    C  21          1H5*        C  21  35.072  20.820  19.207
  217   2H5*    C  21          2H5*        C  21  35.708  21.792  17.870
  218    H4*    C  21           H4*        C  21  33.620  19.640  17.846
  219    H3*    C  21           H3*        C  21  36.001  20.157  16.082
  220    H2*    C  21           H2*        C  21  34.805  19.724  14.180
  221   2HO*    C  21          2HO*        C  21  33.802  17.854  13.927
  222    H1*    C  21           H1*        C  21  32.166  19.655  15.486
  223   1H4     C  21          1H4         C  21  32.543  23.306  10.059
  224   2H4     C  21          2H4         C  21  31.395  24.248  10.982
  225    H5     C  21           H5         C  21  30.885  23.813  13.291
  226    H6     C  21           H6         C  21  31.350  22.366  15.213
  227   1H5*    G  22          1H5*        G  22  34.827  15.819  18.618
  228   2H5*    G  22          2H5*        G  22  34.058  17.355  18.174
  229    H4*    G  22           H4*        G  22  34.328  16.369  21.030
  230    H3*    G  22           H3*        G  22  32.152  15.882  19.001
  231    H2*    G  22           H2*        G  22  30.497  16.512  20.493
  232   2HO*    G  22          2HO*        G  22  30.498  15.659  22.407
  233    H1*    G  22           H1*        G  22  32.050  18.188  22.190
  234    H8     G  22           H8         G  22  30.601  20.300  22.101
  235    H1     G  22           H1         G  22  29.321  19.588  15.871
  236   1H2     G  22          1H2         G  22  30.367  17.811  15.072
  237   2H2     G  22          2H2         G  22  31.384  16.791  16.065
  238   1H5*    G  23          1H5*        G  23  29.907  11.804  18.899
  239   2H5*    G  23          2H5*        G  23  29.977  12.793  17.428
  240    H4*    G  23           H4*        G  23  28.896  13.625  20.141
  241    H3*    G  23           H3*        G  23  27.574  12.786  17.589
  242    H2*    G  23           H2*        G  23  26.073  14.580  17.615
  243   2HO*    G  23          2HO*        G  23  26.561  14.490  20.353
  244    H1*    G  23           H1*        G  23  27.717  16.560  18.507
  245    H8     G  23           H8         G  23  30.142  14.867  16.384
  246    H1     G  23           H1         G  23  25.543  17.539  12.831
  247   1H2     G  23          1H2         G  23  23.808  18.076  14.114
  248   2H2     G  23          2H2         G  23  23.789  17.779  15.837
  249   1H5*    U  24          1H5*        U  24  23.631  12.484  19.234
  250   2H5*    U  24          2H5*        U  24  23.227  10.947  18.445
  251    H4*    U  24           H4*        U  24  22.075  13.173  17.676
  252    H3*    U  24           H3*        U  24  23.205  11.173  15.674
  253    H2*    U  24           H2*        U  24  22.162  12.530  14.019
  254   2HO*    U  24          2HO*        U  24  20.509  13.873  14.430
  255    H1*    U  24           H1*        U  24  22.803  14.942  15.269
  256    H3     U  24           H3         U  24  24.850  14.239  11.127
  257    H5     U  24           H5         U  24  27.593  13.121  14.127
  258    H6     U  24           H6         U  24  25.786  13.275  15.743
  259   1H5*    A  25          1H5*        A  25  18.952   9.753  15.542
  260   2H5*    A  25          2H5*        A  25  18.957   8.102  14.892
  261    H4*    A  25           H4*        A  25  18.216  10.039  13.346
  262    H3*    A  25           H3*        A  25  20.318   8.021  12.494
  263    H2*    A  25           H2*        A  25  20.232   9.036  10.358
  264   2HO*    A  25          2HO*        A  25  18.565  10.434   9.749
  265    H1*    A  25           H1*        A  25  19.962  11.648  11.313
  266    H8     A  25           H8         A  25  22.689  10.347  13.411
  267   1H6     A  25          1H6         A  25  26.477  10.799   8.546
  268   2H6     A  25          2H6         A  25  26.383  10.562  10.277
  269    H2     A  25           H2         A  25  22.258  11.268   7.066
  270   1H5*    C  26          1H5*        C  26  16.949   6.638   9.810
  271   2H5*    C  26          2H5*        C  26  17.371   4.950   9.469
  272    H4*    C  26           H4*        C  26  17.378   6.684   7.529
  273    H3*    C  26           H3*        C  26  19.645   4.725   8.008
  274    H2*    C  26           H2*        C  26  20.575   5.524   5.982
  275   2HO*    C  26          2HO*        C  26  18.086   6.844   5.532
  276    H1*    C  26           H1*        C  26  19.986   8.194   6.432
  277   1H4     C  26          1H4         C  26  26.046   7.193   8.227
  278   2H4     C  26          2H4         C  26  25.495   6.896   9.860
  279    H5     C  26           H5         C  26  23.162   6.780  10.465
  280    H6     C  26           H6         C  26  20.858   6.907   9.630
  281   1H5*    C  27          1H5*        C  27  17.914   3.507   4.527
  282   2H5*    C  27          2H5*        C  27  17.783   1.784   4.137
  283    H4*    C  27           H4*        C  27  19.226   2.935   2.530
  284    H3*    C  27           H3*        C  27  20.842   1.135   4.403
  285    H2*    C  27           H2*        C  27  22.650   1.547   2.879
  286   2HO*    C  27          2HO*        C  27  22.360   2.263   0.855
  287    H1*    C  27           H1*        C  27  22.068   4.243   2.655
  288   1H4     C  27          1H4         C  27  26.622   3.462   7.095
  289   2H4     C  27          2H4         C  27  25.385   3.311   8.324
  290    H5     C  27           H5         C  27  23.025   3.301   7.827
  291    H6     C  27           H6         C  27  21.346   3.358   6.038
  292   1H5*    U  28          1H5*        U  28  22.650  -2.948   2.707
  293   2H5*    U  28          2H5*        U  28  22.835  -2.225   4.316
  294    H4*    U  28           H4*        U  28  24.582  -1.729   1.882
  295    H3*    U  28           H3*        U  28  25.010  -3.247   4.469
  296    H2*    U  28           H2*        U  28  27.259  -2.535   4.498
  297   2HO*    U  28          2HO*        U  28  26.889  -1.674   1.801
  298    H1*    U  28           H1*        U  28  26.835   0.040   3.624
  299    H3     U  28           H3         U  28  28.133   0.086   8.026
  300    H5     U  28           H5         U  28  23.948  -0.416   8.080
  301    H6     U  28           H6         U  28  24.022  -0.731   5.673
  302   1H5*    U  29          1H5*        U  29  26.418  -7.154   5.216
  303   2H5*    U  29          2H5*        U  29  26.639  -5.889   6.441
  304    H4*    U  29           H4*        U  29  28.220  -6.191   3.869
  305    H3*    U  29           H3*        U  29  28.848  -6.863   6.740
  306    H2*    U  29           H2*        U  29  31.021  -5.972   6.547
  307   2HO*    U  29          2HO*        U  29  31.630  -5.243   4.264
  308    H1*    U  29           H1*        U  29  30.423  -3.761   5.067
  309    H3     U  29           H3         U  29  31.399  -2.966   9.590
  310    H5     U  29           H5         U  29  27.217  -2.769   9.091
  311    H6     U  29           H6         U  29  27.503  -3.716   6.873
  312   1H5*    U  30          1H5*        U  30  32.466  -8.768   4.352
  313   2H5*    U  30          2H5*        U  30  32.470 -10.326   5.203
  314    H4*    U  30           H4*        U  30  34.675  -8.927   5.065
  315    H3*    U  30           H3*        U  30  33.627 -10.262   7.576
  316    H2*    U  30           H2*        U  30  35.457  -9.398   8.791
  317   2HO*    U  30          2HO*        U  30  37.295  -8.570   7.788
  318    H1*    U  30           H1*        U  30  35.531  -6.911   7.619
  319    H3     U  30           H3         U  30  34.068  -6.622  11.992
  320    H5     U  30           H5         U  30  30.624  -7.158   9.620
  321    H6     U  30           H6         U  30  32.077  -7.635   7.735
  322   1H5*    G  31          1H5*        G  31  36.841 -13.629   7.147
  323   2H5*    G  31          2H5*        G  31  35.879 -14.861   7.987
  324    H4*    G  31           H4*        G  31  37.987 -13.804   9.151
  325    H3*    G  31           H3*        G  31  35.324 -14.331  10.499
  326    H2*    G  31           H2*        G  31  36.237 -13.472  12.507
  327   2HO*    G  31          2HO*        G  31  38.755 -12.868  11.916
  328    H1*    G  31           H1*        G  31  37.603 -11.366  11.380
  329    H8     G  31           H8         G  31  34.392 -11.421   9.492
  330    H1     G  31           H1         G  31  33.647  -9.183  15.446
  331   1H2     G  31          1H2         G  31  35.461  -9.611  16.653
  332   2H2     G  31          2H2         G  31  36.853 -10.440  15.994
  333   1H5*    U  32          1H5*        U  32  37.745 -17.132  12.886
  334   2H5*    U  32          2H5*        U  32  36.645 -18.434  13.377
  335    H4*    U  32           H4*        U  32  37.587 -16.745  15.160
  336    H3*    U  32           H3*        U  32  34.698 -17.671  15.023
  337    H2*    U  32           H2*        U  32  34.284 -16.367  16.943
  338   2HO*    U  32          2HO*        U  32  36.246 -15.422  18.035
  339    H1*    U  32           H1*        U  32  36.015 -14.269  16.294
  340    H3     U  32           H3         U  32  31.530 -13.036  16.607
  341    H5     U  32           H5         U  32  32.346 -13.849  12.552
  342    H6     U  32           H6         U  32  34.472 -14.800  13.238
  343   1H5*    G  33          1H5*        G  33  33.603 -21.021  18.918
  344   2H5*    G  33          2H5*        G  33  32.993 -19.801  17.784
  345    H4*    G  33           H4*        G  33  34.218 -19.177  20.492
  346    H3*    G  33           H3*        G  33  31.314 -19.503  19.688
  347    H2*    G  33           H2*        G  33  30.757 -17.694  21.107
  348   2HO*    G  33          2HO*        G  33  33.079 -16.964  22.193
  349    H1*    G  33           H1*        G  33  32.840 -16.069  20.420
  350    H8     G  33           H8         G  33  32.220 -17.423  17.105
  351    H1     G  33           H1         G  33  27.225 -13.899  19.010
  352   1H2     G  33          1H2         G  33  27.355 -13.506  21.192
  353   2H2     G  33          2H2         G  33  28.671 -14.104  22.177
  354   1H5*    C  34          1H5*        C  34  29.908 -22.211  23.308
  355   2H5*    C  34          2H5*        C  34  28.669 -22.783  22.174
  356    H4*    C  34           H4*        C  34  28.242 -20.993  24.221
  357    H3*    C  34           H3*        C  34  26.652 -21.454  21.673
  358    H2*    C  34           H2*        C  34  25.300 -19.603  22.237
  359   2HO*    C  34          2HO*        C  34  24.871 -19.110  24.244
  360    H1*    C  34           H1*        C  34  27.304 -17.978  23.194
  361   1H4     C  34          1H4         C  34  26.122 -16.599  17.031
  362   2H4     C  34          2H4         C  34  27.620 -17.408  16.629
  363    H5     C  34           H5         C  34  28.933 -18.634  18.243
  364    H6     C  34           H6         C  34  29.075 -19.360  20.582
  365   1H5*    G  35          1H5*        G  35  22.134 -22.790  22.397
  366   2H5*    G  35          2H5*        G  35  22.947 -23.995  21.379
  367    H4*    G  35           H4*        G  35  21.314 -21.902  20.516
  368    H3*    G  35           H3*        G  35  23.332 -23.522  18.876
  369    H2*    G  35           H2*        G  35  22.721 -22.142  17.059
  370   2HO*    G  35          2HO*        G  35  20.451 -21.437  18.634
  371    H1*    G  35           H1*        G  35  22.460 -19.802  18.570
  372    H8     G  35           H8         G  35  25.673 -20.782  19.825
  373    H1     G  35           H1         G  35  26.088 -19.717  13.527
  374   1H2     G  35          1H2         G  35  24.064 -19.658  12.631
  375   2H2     G  35          2H2         G  35  22.611 -19.886  13.578
  376   1H5*    C  36          1H5*        C  36  19.432 -24.285  17.123
  377   2H5*    C  36          2H5*        C  36  19.168 -26.000  16.751
  378    H4*    C  36           H4*        C  36  18.671 -24.587  14.811
  379    H3*    C  36           H3*        C  36  21.094 -26.391  14.549
  380    H2*    C  36           H2*        C  36  21.297 -25.654  12.300
  381   2HO*    C  36          2HO*        C  36  19.256 -23.916  12.069
  382    H1*    C  36           H1*        C  36  20.900 -23.002  12.831
  383   1H4     C  36          1H4         C  36  27.198 -24.049  13.306
  384   2H4     C  36          2H4         C  36  27.008 -24.299  15.027
  385    H5     C  36           H5         C  36  24.859 -24.364  16.122
  386    H6     C  36           H6         C  36  22.434 -24.219  15.798
  387   1H5*    C  37          1H5*        C  37  18.706 -29.032  11.904
  388   2H5*    C  37          2H5*        C  37  19.466 -30.604  12.229
  389    H4*    C  37           H4*        C  37  19.916 -29.346   9.958
  390    H3*    C  37           H3*        C  37  22.136 -30.684  11.593
  391    H2*    C  37           H2*        C  37  23.600 -30.098   9.812
  392   2HO*    C  37          2HO*        C  37  21.987 -28.932   8.022
  393    H1*    C  37           H1*        C  37  22.511 -27.589   9.374
  394   1H4     C  37          1H4         C  37  27.730 -27.312  13.170
  395   2H4     C  37          2H4         C  37  26.654 -27.137  14.538
  396    H5     C  37           H5         C  37  24.256 -27.216  14.349
  397    H6     C  37           H6         C  37  22.370 -27.634  12.839
  398   1H5*    C  38          1H5*        C  38  22.708 -31.154   6.788
  399   2H5*    C  38          2H5*        C  38  21.976 -32.756   7.021
  400    H4*    C  38           H4*        C  38  23.785 -32.909   5.401
  401    H3*    C  38           H3*        C  38  24.144 -34.249   8.056
  402    H2*    C  38           H2*        C  38  26.380 -34.766   7.686
  403   2HO*    C  38          2HO*        C  38  26.983 -35.451   5.800
  404    H1*    C  38           H1*        C  38  27.153 -32.527   6.293
  405   1H4     C  38          1H4         C  38  28.872 -30.963  12.194
  406   2H4     C  38          2H4         C  38  27.214 -30.999  12.749
  407    H5     C  38           H5         C  38  25.361 -31.618  11.332
  408    H6     C  38           H6         C  38  24.704 -32.327   9.078
  409    H3T    C  38           H3T        C  38  23.496 -35.883   6.887
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  38.733 -26.277  10.423
    2   2H5*    G   1          2H5*        G   1  37.217 -26.729  11.230
    3    H4*    G   1           H4*        G   1  38.212 -27.584   8.497
    4    H3*    G   1           H3*        G   1  35.881 -25.930   9.482
    5    H2*    G   1           H2*        G   1  34.437 -26.878   7.888
    6   2HO*    G   1          2HO*        G   1  35.852 -28.440   6.347
    7    H1*    G   1           H1*        G   1  35.364 -29.458   7.964
    8    H8     G   1           H8         G   1  35.356 -28.186  11.514
    9    H1     G   1           H1         G   1  29.535 -29.871   9.449
   10   1H2     G   1          1H2         G   1  29.576 -30.222   7.258
   11   2H2     G   1          2H2         G   1  31.029 -30.029   6.302
   12    H5T    G   1           H5T        G   1  39.611 -28.087  11.032
   13   1H5*    G   2          1H5*        G   2  35.334 -25.654   5.817
   14   2H5*    G   2          2H5*        G   2  35.339 -24.034   5.095
   15    H4*    G   2           H4*        G   2  33.290 -25.012   4.434
   16    H3*    G   2           H3*        G   2  32.772 -23.157   6.802
   17    H2*    G   2           H2*        G   2  30.488 -23.707   6.614
   18   2HO*    G   2          2HO*        G   2  30.518 -23.423   4.260
   19    H1*    G   2           H1*        G   2  30.824 -26.380   5.921
   20    H8     G   2           H8         G   2  32.998 -25.071   8.813
   21    H1     G   2           H1         G   2  27.256 -27.281  10.584
   22   1H2     G   2          1H2         G   2  26.043 -27.770   8.792
   23   2H2     G   2          2H2         G   2  26.646 -27.559   7.163
   24   1H5*    G   3          1H5*        G   3  30.073 -21.362   3.440
   25   2H5*    G   3          2H5*        G   3  30.028 -19.660   3.941
   26    H4*    G   3           H4*        G   3  27.794 -20.958   3.741
   27    H3*    G   3           H3*        G   3  28.561 -19.237   6.118
   28    H2*    G   3           H2*        G   3  26.529 -19.794   7.141
   29   2HO*    G   3          2HO*        G   3  25.359 -21.045   4.951
   30    H1*    G   3           H1*        G   3  26.289 -22.404   6.143
   31    H8     G   3           H8         G   3  29.725 -21.746   7.623
   32    H1     G   3           H1         G   3  25.287 -23.215  11.998
   33   1H2     G   3          1H2         G   3  23.273 -23.239  11.062
   34   2H2     G   3          2H2         G   3  23.023 -22.896   9.365
   35   1H5*    C   4          1H5*        C   4  26.222 -14.871   6.618
   36   2H5*    C   4          2H5*        C   4  27.216 -16.214   7.221
   37    H4*    C   4           H4*        C   4  24.216 -16.427   6.875
   38    H3*    C   4           H3*        C   4  25.752 -15.299   9.211
   39    H2*    C   4           H2*        C   4  24.411 -16.507  10.712
   40   2HO*    C   4          2HO*        C   4  22.384 -16.101  10.165
   41    H1*    C   4           H1*        C   4  24.025 -18.797   9.179
   42   1H4     C   4          1H4         C   4  28.561 -20.051  13.527
   43   2H4     C   4          2H4         C   4  29.764 -19.719  12.302
   44    H5     C   4           H5         C   4  29.224 -18.864  10.119
   45    H6     C   4           H6         C   4  27.418 -18.103   8.645
   46   1H5*    U   5          1H5*        U   5  22.255 -14.500   7.196
   47   2H5*    U   5          2H5*        U   5  22.792 -14.696   5.512
   48    H4*    U   5           H4*        U   5  21.525 -12.625   4.919
   49    H3*    U   5           H3*        U   5  21.384 -11.980   7.591
   50    H2*    U   5           H2*        U   5  19.962 -13.766   8.249
   51   2HO*    U   5          2HO*        U   5  18.340 -11.616   7.360
   52    H1*    U   5           H1*        U   5  18.323 -13.468   5.735
   53    H3     U   5           H3         U   5  15.998 -16.766   7.944
   54    H5     U   5           H5         U   5  19.574 -18.550   6.608
   55    H6     U   5           H6         U   5  20.378 -16.341   6.010
   56   1H5*    A   6          1H5*        A   6  20.145  -8.326   9.438
   57   2H5*    A   6          2H5*        A   6  21.350  -9.402  10.168
   58    H4*    A   6           H4*        A   6  18.400  -9.876   9.748
   59    H3*    A   6           H3*        A   6  20.136  -9.530  12.144
   60    H2*    A   6           H2*        A   6  19.633 -11.530  13.206
   61   2HO*    A   6          2HO*        A   6  17.316 -11.827  11.580
   62    H1*    A   6           H1*        A   6  19.248 -13.228  11.123
   63    H8     A   6           H8         A   6  21.871 -13.264   9.495
   64   1H6     A   6          1H6         A   6  26.014 -12.468  14.005
   65   2H6     A   6          2H6         A   6  25.765 -13.011  12.362
   66    H2     A   6           H2         A   6  22.012 -11.136  15.554
   67   1H5*    G   7          1H5*        G   7  18.782  -9.220  16.052
   68   2H5*    G   7          2H5*        G   7  19.910 -10.238  15.134
   69    H4*    G   7           H4*        G   7  17.570 -11.246  16.792
   70    H3*    G   7           H3*        G   7  20.545 -11.158  17.353
   71    H2*    G   7           H2*        G   7  20.337 -13.213  18.495
   72   2HO*    G   7          2HO*        G   7  18.261 -14.060  19.048
   73    H1*    G   7           H1*        G   7  18.510 -14.360  16.746
   74    H8     G   7           H8         G   7  20.350 -13.730  13.996
   75    H1     G   7           H1         G   7  24.488 -16.264  18.174
   76   1H2     G   7          1H2         G   7  23.656 -16.156  20.228
   77   2H2     G   7          2H2         G   7  22.085 -15.465  20.571
   78   1H5*    C   8          1H5*        C   8  19.727 -11.064  20.962
   79   2H5*    C   8          2H5*        C   8  19.901  -9.585  21.924
   80    H4*    C   8           H4*        C   8  21.322 -10.990  23.062
   81    H3*    C   8           H3*        C   8  23.061  -9.746  20.899
   82    H2*    C   8           H2*        C   8  24.874 -10.900  21.908
   83   2HO*    C   8          2HO*        C   8  24.791 -10.794  24.030
   84    H1*    C   8           H1*        C   8  23.475 -13.243  22.376
   85   1H4     C   8          1H4         C   8  26.756 -13.878  16.915
   86   2H4     C   8          2H4         C   8  25.335 -13.365  16.032
   87    H5     C   8           H5         C   8  23.320 -12.595  17.109
   88    H6     C   8           H6         C   8  22.246 -12.120  19.259
   89   1H5*    A   9          1H5*        A   9  25.471  -8.369  24.593
   90   2H5*    A   9          2H5*        A   9  26.347  -7.062  23.780
   91    H4*    A   9           H4*        A   9  27.632  -9.156  24.728
   92    H3*    A   9           H3*        A   9  28.192  -8.111  21.917
   93    H2*    A   9           H2*        A   9  30.170  -9.511  22.108
   94   2HO*    A   9          2HO*        A   9  30.603  -9.103  24.368
   95    H1*    A   9           H1*        A   9  28.659 -11.615  23.002
   96    H8     A   9           H8         A   9  26.411  -9.874  20.578
   97   1H6     A   9          1H6         A   9  29.753 -12.267  15.977
   98   2H6     A   9          2H6         A   9  28.310 -11.370  16.393
   99    H2     A   9           H2         A   9  31.916 -13.101  19.837
  100   1H5*    C  10          1H5*        C  10  31.629  -6.075  24.045
  101   2H5*    C  10          2H5*        C  10  32.235  -4.760  23.018
  102    H4*    C  10           H4*        C  10  33.777  -6.802  23.531
  103    H3*    C  10           H3*        C  10  33.372  -5.674  20.738
  104    H2*    C  10           H2*        C  10  35.112  -7.163  20.033
  105   2HO*    C  10          2HO*        C  10  36.480  -8.112  21.402
  106    H1*    C  10           H1*        C  10  34.029  -9.317  21.282
  107   1H4     C  10          1H4         C  10  31.243  -8.626  15.511
  108   2H4     C  10          2H4         C  10  29.796  -8.123  16.356
  109    H5     C  10           H5         C  10  29.720  -7.743  18.734
  110    H6     C  10           H6         C  10  31.019  -7.752  20.811
  111   1H5*    U  11          1H5*        U  11  35.715  -2.621  18.621
  112   2H5*    U  11          2H5*        U  11  34.218  -3.524  18.332
  113    H4*    U  11           H4*        U  11  36.987  -4.357  17.403
  114    H3*    U  11           H3*        U  11  34.743  -2.853  16.105
  115    H2*    U  11           H2*        U  11  35.035  -4.031  14.067
  116   2HO*    U  11          2HO*        U  11  36.879  -5.237  13.628
  117    H1*    U  11           H1*        U  11  35.454  -6.508  15.145
  118    H3     U  11           H3         U  11  31.264  -5.949  13.158
  119    H5     U  11           H5         U  11  30.794  -5.559  17.328
  120    H6     U  11           H6         U  11  33.211  -5.470  17.525
  121   1H5*    C  12          1H5*        C  12  39.484  -1.216  13.515
  122   2H5*    C  12          2H5*        C  12  37.719  -1.122  13.675
  123    H4*    C  12           H4*        C  12  39.362  -2.370  11.463
  124    H3*    C  12           H3*        C  12  37.174  -0.261  11.584
  125    H2*    C  12           H2*        C  12  36.432  -0.922   9.435
  126   2HO*    C  12          2HO*        C  12  39.021  -2.015   9.230
  127    H1*    C  12           H1*        C  12  36.759  -3.633   9.774
  128   1H4     C  12          1H4         C  12  30.625  -2.521  11.070
  129   2H4     C  12          2H4         C  12  31.040  -1.854  12.633
  130    H5     C  12           H5         C  12  33.318  -1.587  13.393
  131    H6     C  12           H6         C  12  35.681  -1.863  12.794
  132   1H5*    U  13          1H5*        U  13  37.478   3.037   8.063
  133   2H5*    U  13          2H5*        U  13  36.004   2.217   8.621
  134    H4*    U  13           H4*        U  13  37.521   1.609   6.062
  135    H3*    U  13           H3*        U  13  35.009   3.187   6.594
  136    H2*    U  13           H2*        U  13  33.986   2.256   4.692
  137   2HO*    U  13          2HO*        U  13  35.615   2.558   3.192
  138    H1*    U  13           H1*        U  13  35.028  -0.299   4.896
  139    H3     U  13           H3         U  13  30.467  -0.352   5.602
  140    H5     U  13           H5         U  13  32.238   0.264   9.378
  141    H6     U  13           H6         U  13  34.364   0.599   8.252
  142   1H5*    G  14          1H5*        G  14  37.206   5.792   3.257
  143   2H5*    G  14          2H5*        G  14  36.702   7.466   3.573
  144    H4*    G  14           H4*        G  14  35.912   6.366   1.379
  145    H3*    G  14           H3*        G  14  34.058   7.784   3.313
  146    H2*    G  14           H2*        G  14  32.218   7.302   1.890
  147   2HO*    G  14          2HO*        G  14  33.297   5.937  -0.129
  148    H1*    G  14           H1*        G  14  32.852   4.705   1.413
  149    H8     G  14           H8         G  14  34.018   5.494   4.929
  150    H1     G  14           H1         G  14  27.736   4.313   4.565
  151   1H2     G  14          1H2         G  14  27.098   4.234   2.439
  152   2H2     G  14          2H2         G  14  28.215   4.467   1.112
  153   1H5*    G  15          1H5*        G  15  33.238  10.253  -0.156
  154   2H5*    G  15          2H5*        G  15  32.509  11.744   0.473
  155    H4*    G  15           H4*        G  15  31.024   9.916  -0.715
  156    H3*    G  15           H3*        G  15  30.177  11.304   1.872
  157    H2*    G  15           H2*        G  15  28.079  10.192   1.541
  158   2HO*    G  15          2HO*        G  15  28.546  10.473  -0.977
  159    H1*    G  15           H1*        G  15  29.224   7.780   0.901
  160    H8     G  15           H8         G  15  31.564   8.741   3.519
  161    H1     G  15           H1         G  15  25.736   7.775   5.992
  162   1H2     G  15          1H2         G  15  24.223   7.702   4.364
  163   2H2     G  15          2H2         G  15  24.648   7.889   2.677
  164   1H5*    U  16          1H5*        U  16  27.681  12.281  -0.643
  165   2H5*    U  16          2H5*        U  16  27.051  13.850  -1.184
  166    H4*    U  16           H4*        U  16  25.154  12.678  -0.432
  167    H3*    U  16           H3*        U  16  26.116  14.436   1.874
  168    H2*    U  16           H2*        U  16  24.171  13.724   3.050
  169   2HO*    U  16          2HO*        U  16  22.393  13.449   1.967
  170    H1*    U  16           H1*        U  16  24.322  11.092   2.207
  171    H3     U  16           H3         U  16  25.150  11.370   6.720
  172    H5     U  16           H5         U  16  28.855  12.067   4.836
  173    H6     U  16           H6         U  16  27.684  12.147   2.710
  174   1H5*    A  17          1H5*        A  17  22.352  16.871   1.039
  175   2H5*    A  17          2H5*        A  17  22.704  18.423   1.826
  176    H4*    A  17           H4*        A  17  20.885  16.796   2.825
  177    H3*    A  17           H3*        A  17  22.962  18.258   4.534
  178    H2*    A  17           H2*        A  17  21.887  17.286   6.424
  179   2HO*    A  17          2HO*        A  17  19.847  16.488   6.380
  180    H1*    A  17           H1*        A  17  21.456  14.809   5.277
  181    H8     A  17           H8         A  17  24.935  15.631   4.250
  182   1H6     A  17          1H6         A  17  26.726  14.391  10.043
  183   2H6     A  17          2H6         A  17  27.271  14.723   8.414
  184    H2     A  17           H2         A  17  22.240  14.540   9.976
  185   1H5*    U  18          1H5*        U  18  20.891  22.480   7.075
  186   2H5*    U  18          2H5*        U  18  22.424  21.594   6.972
  187    H4*    U  18           H4*        U  18  20.090  21.082   8.839
  188    H3*    U  18           H3*        U  18  22.970  21.992   9.215
  189    H2*    U  18           H2*        U  18  23.270  20.599  11.058
  190   2HO*    U  18          2HO*        U  18  21.146  21.309  11.935
  191    H1*    U  18           H1*        U  18  21.807  18.436  10.260
  192    H3     U  18           H3         U  18  26.254  17.411  10.411
  193    H5     U  18           H5         U  18  25.447  18.624   6.454
  194    H6     U  18           H6         U  18  23.290  19.444   7.222
  195   1H5*    U  19          1H5*        U  19  24.988  24.299  11.260
  196   2H5*    U  19          2H5*        U  19  24.652  22.650  10.692
  197    H4*    U  19           H4*        U  19  24.736  22.949  13.635
  198    H3*    U  19           H3*        U  19  27.228  23.460  11.962
  199    H2*    U  19           H2*        U  19  28.481  22.218  13.545
  200   2HO*    U  19          2HO*        U  19  27.429  21.515  15.533
  201    H1*    U  19           H1*        U  19  26.625  20.224  13.906
  202    H3     U  19           H3         U  19  30.285  18.626  11.555
  203    H5     U  19           H5         U  19  27.575  20.101   8.685
  204    H6     U  19           H6         U  19  26.274  21.059  10.494
  205   1H5*    A  20          1H5*        A  20  29.782  26.958  15.266
  206   2H5*    A  20          2H5*        A  20  30.824  25.634  14.710
  207    H4*    A  20           H4*        A  20  31.015  26.426  17.177
  208    H3*    A  20           H3*        A  20  31.499  23.864  16.039
  209    H2*    A  20           H2*        A  20  29.678  22.778  17.012
  210   2HO*    A  20          2HO*        A  20  30.696  22.743  19.530
  211    H1*    A  20           H1*        A  20  29.794  24.605  19.418
  212    H8     A  20           H8         A  20  27.429  23.053  16.749
  213   1H6     A  20          1H6         A  20  23.417  22.526  21.395
  214   2H6     A  20          2H6         A  20  23.730  22.173  19.711
  215    H2     A  20           H2         A  20  27.087  24.596  22.974
  216   1H5*    C  21          1H5*        C  21  34.959  20.815  18.175
  217   2H5*    C  21          2H5*        C  21  35.391  21.868  16.819
  218    H4*    C  21           H4*        C  21  33.472  19.572  16.924
  219    H3*    C  21           H3*        C  21  35.593  20.355  14.957
  220    H2*    C  21           H2*        C  21  34.242  19.911  13.164
  221   2HO*    C  21          2HO*        C  21  33.357  17.981  12.919
  222    H1*    C  21           H1*        C  21  31.762  19.576  14.712
  223   1H4     C  21          1H4         C  21  31.334  23.511   9.492
  224   2H4     C  21          2H4         C  21  30.219  24.314  10.573
  225    H5     C  21           H5         C  21  29.974  23.729  12.892
  226    H6     C  21           H6         C  21  30.730  22.228  14.675
  227   1H5*    G  22          1H5*        G  22  35.125  15.718  17.279
  228   2H5*    G  22          2H5*        G  22  34.193  17.206  17.015
  229    H4*    G  22           H4*        G  22  34.839  16.045  19.746
  230    H3*    G  22           H3*        G  22  32.455  15.640  17.938
  231    H2*    G  22           H2*        G  22  30.972  16.037  19.679
  232   2HO*    G  22          2HO*        G  22  31.257  15.060  21.514
  233    H1*    G  22           H1*        G  22  32.650  17.654  21.307
  234    H8     G  22           H8         G  22  31.162  19.729  21.545
  235    H1     G  22           H1         G  22  29.038  19.328  15.520
  236   1H2     G  22          1H2         G  22  30.016  17.643  14.474
  237   2H2     G  22          2H2         G  22  31.193  16.608  15.251
  238   1H5*    G  23          1H5*        G  23  29.555  12.027  18.862
  239   2H5*    G  23          2H5*        G  23  29.852  13.220  17.583
  240    H4*    G  23           H4*        G  23  28.518  13.891  20.222
  241    H3*    G  23           H3*        G  23  27.288  12.891  17.662
  242    H2*    G  23           H2*        G  23  25.590  14.509  17.791
  243   2HO*    G  23          2HO*        G  23  24.865  15.295  19.633
  244    H1*    G  23           H1*        G  23  27.100  16.620  18.663
  245    H8     G  23           H8         G  23  29.494  15.208  16.307
  246    H1     G  23           H1         G  23  24.448  17.623  13.202
  247   1H2     G  23          1H2         G  23  22.776  17.970  14.626
  248   2H2     G  23          2H2         G  23  22.909  17.611  16.332
  249   1H5*    U  24          1H5*        U  24  23.602  11.897  19.340
  250   2H5*    U  24          2H5*        U  24  23.303  10.380  18.474
  251    H4*    U  24           H4*        U  24  21.962  12.536  17.844
  252    H3*    U  24           H3*        U  24  23.240  10.727  15.748
  253    H2*    U  24           H2*        U  24  22.103  12.067  14.146
  254   2HO*    U  24          2HO*        U  24  20.628  13.165  16.331
  255    H1*    U  24           H1*        U  24  22.538  14.474  15.484
  256    H3     U  24           H3         U  24  24.669  14.027  11.338
  257    H5     U  24           H5         U  24  27.478  13.137  14.352
  258    H6     U  24           H6         U  24  25.650  13.091  15.951
  259   1H5*    A  25          1H5*        A  25  19.144   8.794  15.504
  260   2H5*    A  25          2H5*        A  25  19.459   7.216  14.753
  261    H4*    A  25           H4*        A  25  18.447   9.171  13.333
  262    H3*    A  25           H3*        A  25  20.724   7.410  12.389
  263    H2*    A  25           H2*        A  25  20.561   8.527  10.314
  264   2HO*    A  25          2HO*        A  25  18.232   9.923  11.062
  265    H1*    A  25           H1*        A  25  20.034  11.051  11.391
  266    H8     A  25           H8         A  25  22.860   9.981  13.463
  267   1H6     A  25          1H6         A  25  26.619  10.901   8.641
  268   2H6     A  25          2H6         A  25  26.538  10.626  10.366
  269    H2     A  25           H2         A  25  22.387  10.967   7.130
  270   1H5*    C  26          1H5*        C  26  17.548   5.744   9.612
  271   2H5*    C  26          2H5*        C  26  18.201   4.137   9.245
  272    H4*    C  26           H4*        C  26  18.050   5.960   7.369
  273    H3*    C  26           H3*        C  26  20.490   4.213   7.818
  274    H2*    C  26           H2*        C  26  21.366   5.186   5.847
  275   2HO*    C  26          2HO*        C  26  19.836   5.273   4.354
  276    H1*    C  26           H1*        C  26  20.479   7.760   6.389
  277   1H4     C  26          1H4         C  26  26.610   7.358   8.179
  278   2H4     C  26          2H4         C  26  26.089   6.957   9.801
  279    H5     C  26           H5         C  26  23.781   6.573  10.388
  280    H6     C  26           H6         C  26  21.480   6.475   9.543
  281   1H5*    C  27          1H5*        C  27  18.868   2.439   4.197
  282   2H5*    C  27          2H5*        C  27  19.305   0.726   4.073
  283    H4*    C  27           H4*        C  27  20.355   2.270   2.355
  284    H3*    C  27           H3*        C  27  22.259   0.704   4.166
  285    H2*    C  27           H2*        C  27  23.970   1.468   2.676
  286   2HO*    C  27          2HO*        C  27  21.904   2.498   0.996
  287    H1*    C  27           H1*        C  27  22.951   4.035   2.516
  288   1H4     C  27          1H4         C  27  27.567   3.830   6.969
  289   2H4     C  27          2H4         C  27  26.346   3.552   8.191
  290    H5     C  27           H5         C  27  24.008   3.252   7.677
  291    H6     C  27           H6         C  27  22.352   3.083   5.875
  292   1H5*    U  28          1H5*        U  28  23.236  -2.003   0.736
  293   2H5*    U  28          2H5*        U  28  23.698  -3.480   1.604
  294    H4*    U  28           H4*        U  28  25.482  -1.956   0.313
  295    H3*    U  28           H3*        U  28  25.906  -3.538   2.879
  296    H2*    U  28           H2*        U  28  28.097  -2.660   3.011
  297   2HO*    U  28          2HO*        U  28  28.403  -2.969   0.640
  298    H1*    U  28           H1*        U  28  27.518  -0.091   2.288
  299    H3     U  28           H3         U  28  28.455  -0.196   6.768
  300    H5     U  28           H5         U  28  24.350  -1.106   6.462
  301    H6     U  28           H6         U  28  24.629  -1.248   4.055
  302   1H5*    U  29          1H5*        U  29  28.165  -7.269   3.221
  303   2H5*    U  29          2H5*        U  29  28.272  -6.217   4.646
  304    H4*    U  29           H4*        U  29  30.070  -6.230   2.212
  305    H3*    U  29           H3*        U  29  30.430  -7.016   5.081
  306    H2*    U  29           H2*        U  29  32.492  -5.920   5.280
  307   2HO*    U  29          2HO*        U  29  33.338  -5.007   3.102
  308    H1*    U  29           H1*        U  29  31.967  -3.677   3.828
  309    H3     U  29           H3         U  29  32.079  -3.185   8.514
  310    H5     U  29           H5         U  29  28.062  -3.064   7.240
  311    H6     U  29           H6         U  29  28.799  -3.853   5.064
  312   1H5*    U  30          1H5*        U  30  31.800 -11.210   6.019
  313   2H5*    U  30          2H5*        U  30  31.323  -9.500   6.068
  314    H4*    U  30           H4*        U  30  34.044 -10.116   5.003
  315    H3*    U  30           H3*        U  30  33.283 -10.635   7.874
  316    H2*    U  30           H2*        U  30  35.152  -9.437   8.656
  317   2HO*    U  30          2HO*        U  30  36.966  -9.644   7.630
  318    H1*    U  30           H1*        U  30  35.117  -7.381   6.854
  319    H3     U  30           H3         U  30  33.646  -6.612  11.318
  320    H5     U  30           H5         U  30  30.366  -6.429   8.676
  321    H6     U  30           H6         U  30  31.782  -7.388   6.954
  322   1H5*    G  31          1H5*        G  31  36.841 -12.895   7.639
  323   2H5*    G  31          2H5*        G  31  36.683 -14.586   8.157
  324    H4*    G  31           H4*        G  31  38.277 -13.407   9.584
  325    H3*    G  31           H3*        G  31  35.665 -14.185  10.900
  326    H2*    G  31           H2*        G  31  36.467 -13.284  12.932
  327   2HO*    G  31          2HO*        G  31  38.918 -12.457  12.478
  328    H1*    G  31           H1*        G  31  37.690 -11.058  11.860
  329    H8     G  31           H8         G  31  34.515 -11.276   9.941
  330    H1     G  31           H1         G  31  33.538  -9.313  15.958
  331   1H2     G  31          1H2         G  31  35.362  -9.659  17.177
  332   2H2     G  31          2H2         G  31  36.818 -10.365  16.511
  333   1H5*    U  32          1H5*        U  32  38.346 -16.762  13.367
  334   2H5*    U  32          2H5*        U  32  37.331 -18.158  13.776
  335    H4*    U  32           H4*        U  32  38.124 -16.504  15.657
  336    H3*    U  32           H3*        U  32  35.314 -17.624  15.411
  337    H2*    U  32           H2*        U  32  34.763 -16.440  17.375
  338   2HO*    U  32          2HO*        U  32  36.546 -17.079  18.615
  339    H1*    U  32           H1*        U  32  36.317 -14.183  16.861
  340    H3     U  32           H3         U  32  31.765 -13.277  17.030
  341    H5     U  32           H5         U  32  32.733 -14.024  12.996
  342    H6     U  32           H6         U  32  34.909 -14.809  13.731
  343   1H5*    G  33          1H5*        G  33  34.203 -21.057  19.085
  344   2H5*    G  33          2H5*        G  33  33.655 -19.812  17.945
  345    H4*    G  33           H4*        G  33  34.731 -19.195  20.715
  346    H3*    G  33           H3*        G  33  31.876 -19.690  19.830
  347    H2*    G  33           H2*        G  33  31.171 -17.947  21.268
  348   2HO*    G  33          2HO*        G  33  32.474 -17.093  22.872
  349    H1*    G  33           H1*        G  33  33.170 -16.187  20.660
  350    H8     G  33           H8         G  33  32.704 -17.486  17.304
  351    H1     G  33           H1         G  33  27.449 -14.349  19.183
  352   1H2     G  33          1H2         G  33  27.506 -14.008  21.378
  353   2H2     G  33          2H2         G  33  28.836 -14.548  22.377
  354   1H5*    C  34          1H5*        C  34  30.760 -19.220  23.540
  355   2H5*    C  34          2H5*        C  34  30.175 -20.798  24.103
  356    H4*    C  34           H4*        C  34  28.444 -19.189  24.530
  357    H3*    C  34           H3*        C  34  27.810 -20.917  22.119
  358    H2*    C  34           H2*        C  34  25.771 -19.785  21.883
  359   2HO*    C  34          2HO*        C  34  24.759 -18.735  23.546
  360    H1*    C  34           H1*        C  34  26.682 -17.276  22.745
  361   1H4     C  34          1H4         C  34  26.064 -16.890  16.420
  362   2H4     C  34          2H4         C  34  27.583 -17.728  16.199
  363    H5     C  34           H5         C  34  28.868 -18.636  18.031
  364    H6     C  34           H6         C  34  28.958 -18.950  20.462
  365   1H5*    G  35          1H5*        G  35  23.874 -22.259  23.462
  366   2H5*    G  35          2H5*        G  35  24.074 -23.825  22.653
  367    H4*    G  35           H4*        G  35  22.484 -21.924  21.674
  368    H3*    G  35           H3*        G  35  24.290 -23.726  20.027
  369    H2*    G  35           H2*        G  35  23.436 -22.681  18.097
  370   2HO*    G  35          2HO*        G  35  21.379 -22.275  18.027
  371    H1*    G  35           H1*        G  35  23.227 -20.119  19.219
  372    H8     G  35           H8         G  35  26.631 -21.251  20.132
  373    H1     G  35           H1         G  35  26.167 -19.934  13.886
  374   1H2     G  35          1H2         G  35  24.038 -19.723  13.311
  375   2H2     G  35          2H2         G  35  22.732 -19.911  14.457
  376   1H5*    C  36          1H5*        C  36  19.730 -25.104  18.738
  377   2H5*    C  36          2H5*        C  36  20.208 -26.712  18.159
  378    H4*    C  36           H4*        C  36  18.896 -25.102  16.573
  379    H3*    C  36           H3*        C  36  21.337 -26.710  15.755
  380    H2*    C  36           H2*        C  36  21.061 -25.851  13.557
  381   2HO*    C  36          2HO*        C  36  18.905 -24.255  13.842
  382    H1*    C  36           H1*        C  36  20.628 -23.266  14.310
  383   1H4     C  36          1H4         C  36  26.957 -23.907  13.610
  384   2H4     C  36          2H4         C  36  27.092 -24.278  15.314
  385    H5     C  36           H5         C  36  25.181 -24.558  16.760
  386    H6     C  36           H6         C  36  22.734 -24.555  16.877
  387   1H5*    C  37          1H5*        C  37  18.714 -29.261  13.229
  388   2H5*    C  37          2H5*        C  37  19.605 -30.795  13.326
  389    H4*    C  37           H4*        C  37  19.581 -29.389  11.092
  390    H3*    C  37           H3*        C  37  22.117 -30.680  12.227
  391    H2*    C  37           H2*        C  37  23.207 -29.920  10.252
  392   2HO*    C  37          2HO*        C  37  20.955 -30.437   9.078
  393    H1*    C  37           H1*        C  37  21.930 -27.460  10.171
  394   1H4     C  37          1H4         C  37  27.742 -27.065  12.962
  395   2H4     C  37          2H4         C  37  26.930 -27.022  14.511
  396    H5     C  37           H5         C  37  24.545 -27.234  14.757
  397    H6     C  37           H6         C  37  22.435 -27.688  13.593
  398   1H5*    C  38          1H5*        C  38  21.884 -30.861   7.340
  399   2H5*    C  38          2H5*        C  38  21.317 -32.526   7.594
  400    H4*    C  38           H4*        C  38  22.870 -32.486   5.731
  401    H3*    C  38           H3*        C  38  23.741 -33.850   8.256
  402    H2*    C  38           H2*        C  38  25.935 -34.139   7.552
  403   2HO*    C  38          2HO*        C  38  24.822 -34.625   5.243
  404    H1*    C  38           H1*        C  38  26.288 -31.816   6.122
  405   1H4     C  38          1H4         C  38  28.746 -30.220  11.748
  406   2H4     C  38          2H4         C  38  27.192 -30.377  12.535
  407    H5     C  38           H5         C  38  25.199 -31.106  11.386
  408    H6     C  38           H6         C  38  24.273 -31.835   9.236
  409    H3T    C  38           H3T        C  38  22.715 -35.297   7.128
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  37.348 -26.652  11.755
    2   2H5*    G   1          2H5*        G   1  38.543 -27.963  11.675
    3    H4*    G   1           H4*        G   1  38.579 -27.575   9.144
    4    H3*    G   1           H3*        G   1  36.267 -25.780   9.873
    5    H2*    G   1           H2*        G   1  34.936 -26.653   8.151
    6   2HO*    G   1          2HO*        G   1  36.448 -28.303   6.769
    7    H1*    G   1           H1*        G   1  35.703 -29.284   8.301
    8    H8     G   1           H8         G   1  35.368 -27.903  11.816
    9    H1     G   1           H1         G   1  29.767 -29.562   9.193
   10   1H2     G   1          1H2         G   1  30.037 -30.000   7.034
   11   2H2     G   1          2H2         G   1  31.589 -29.873   6.236
   12    H5T    G   1           H5T        G   1  39.721 -26.171  11.985
   13   1H5*    G   2          1H5*        G   2  35.960 -25.858   5.930
   14   2H5*    G   2          2H5*        G   2  36.011 -24.208   5.280
   15    H4*    G   2           H4*        G   2  34.010 -25.330   4.490
   16    H3*    G   2           H3*        G   2  33.461 -23.191   6.578
   17    H2*    G   2           H2*        G   2  31.165 -23.623   6.345
   18   2HO*    G   2          2HO*        G   2  31.482 -25.249   4.070
   19    H1*    G   2           H1*        G   2  31.389 -26.378   5.844
   20    H8     G   2           H8         G   2  33.258 -24.854   8.855
   21    H1     G   2           H1         G   2  27.345 -26.945  10.141
   22   1H2     G   2          1H2         G   2  26.342 -27.588   8.268
   23   2H2     G   2          2H2         G   2  27.126 -27.509   6.707
   24   1H5*    G   3          1H5*        G   3  31.207 -21.271   2.878
   25   2H5*    G   3          2H5*        G   3  31.186 -19.592   3.450
   26    H4*    G   3           H4*        G   3  28.936 -20.900   3.072
   27    H3*    G   3           H3*        G   3  29.520 -19.106   5.459
   28    H2*    G   3           H2*        G   3  27.386 -19.614   6.287
   29   2HO*    G   3          2HO*        G   3  26.439 -20.906   4.009
   30    H1*    G   3           H1*        G   3  27.233 -22.248   5.311
   31    H8     G   3           H8         G   3  30.465 -21.566   7.191
   32    H1     G   3           H1         G   3  25.520 -22.961  11.011
   33   1H2     G   3          1H2         G   3  23.639 -23.001   9.837
   34   2H2     G   3          2H2         G   3  23.599 -22.689   8.116
   35   1H5*    C   4          1H5*        C   4  25.882 -15.428   5.573
   36   2H5*    C   4          2H5*        C   4  27.093 -16.186   6.631
   37    H4*    C   4           H4*        C   4  24.303 -17.263   6.105
   38    H3*    C   4           H3*        C   4  25.381 -15.567   8.356
   39    H2*    C   4           H2*        C   4  24.169 -16.834   9.910
   40   2HO*    C   4          2HO*        C   4  22.597 -18.415   8.478
   41    H1*    C   4           H1*        C   4  24.300 -19.308   8.592
   42   1H4     C   4          1H4         C   4  28.363 -19.384  13.557
   43   2H4     C   4          2H4         C   4  29.656 -19.049  12.430
   44    H5     C   4           H5         C   4  29.287 -18.550  10.105
   45    H6     C   4           H6         C   4  27.593 -18.222   8.363
   46   1H5*    U   5          1H5*        U   5  22.177 -14.886   5.447
   47   2H5*    U   5          2H5*        U   5  21.382 -13.401   4.881
   48    H4*    U   5           H4*        U   5  19.544 -13.697   6.327
   49    H3*    U   5           H3*        U   5  21.244 -14.671   8.274
   50    H2*    U   5           H2*        U   5  21.499 -16.855   7.384
   51   2HO*    U   5          2HO*        U   5  19.549 -16.648   9.273
   52    H1*    U   5           H1*        U   5  18.595 -16.928   6.567
   53    H3     U   5           H3         U   5  20.206 -21.157   5.512
   54    H5     U   5           H5         U   5  21.494 -18.533   2.475
   55    H6     U   5           H6         U   5  20.770 -16.678   3.860
   56   1H5*    A   6          1H5*        A   6  17.039 -12.455  11.662
   57   2H5*    A   6          2H5*        A   6  18.680 -13.126  11.651
   58    H4*    A   6           H4*        A   6  16.086 -14.691  11.800
   59    H3*    A   6           H3*        A   6  18.154 -13.951  13.861
   60    H2*    A   6           H2*        A   6  18.190 -16.118  14.751
   61   2HO*    A   6          2HO*        A   6  16.167 -17.299  13.353
   62    H1*    A   6           H1*        A   6  17.941 -17.561  12.434
   63    H8     A   6           H8         A   6  20.348 -15.460  10.953
   64   1H6     A   6          1H6         A   6  24.704 -17.366  14.894
   65   2H6     A   6          2H6         A   6  24.393 -16.551  13.378
   66    H2     A   6           H2         A   6  20.707 -18.551  16.572
   67   1H5*    G   7          1H5*        G   7  17.587 -10.585  16.143
   68   2H5*    G   7          2H5*        G   7  19.185 -11.254  15.754
   69    H4*    G   7           H4*        G   7  17.135 -12.225  17.730
   70    H3*    G   7           H3*        G   7  20.104 -11.626  17.843
   71    H2*    G   7           H2*        G   7  20.369 -13.303  19.488
   72   2HO*    G   7          2HO*        G   7  18.848 -13.555  20.915
   73    H1*    G   7           H1*        G   7  18.760 -15.191  18.355
   74    H8     G   7           H8         G   7  20.177 -14.000  15.240
   75    H1     G   7           H1         G   7  24.762 -16.621  18.860
   76   1H2     G   7          1H2         G   7  24.039 -16.862  20.945
   77   2H2     G   7          2H2         G   7  22.432 -16.382  21.443
   78   1H5*    C   8          1H5*        C   8  19.623 -11.044  21.608
   79   2H5*    C   8          2H5*        C   8  20.084  -9.431  22.184
   80    H4*    C   8           H4*        C   8  21.466 -11.010  23.325
   81    H3*    C   8           H3*        C   8  23.051  -9.683  21.086
   82    H2*    C   8           H2*        C   8  24.939 -10.786  22.024
   83   2HO*    C   8          2HO*        C   8  24.296 -12.104  24.085
   84    H1*    C   8           H1*        C   8  23.616 -13.170  22.509
   85   1H4     C   8          1H4         C   8  26.725 -13.696  16.943
   86   2H4     C   8          2H4         C   8  25.285 -13.153  16.110
   87    H5     C   8           H5         C   8  23.302 -12.399  17.255
   88    H6     C   8           H6         C   8  22.286 -11.973  19.445
   89   1H5*    A   9          1H5*        A   9  25.376  -8.042  24.669
   90   2H5*    A   9          2H5*        A   9  26.301  -6.763  23.862
   91    H4*    A   9           H4*        A   9  27.517  -8.864  24.883
   92    H3*    A   9           H3*        A   9  28.191  -7.870  22.074
   93    H2*    A   9           H2*        A   9  30.130  -9.307  22.351
   94   2HO*    A   9          2HO*        A   9  29.583  -8.948  25.008
   95    H1*    A   9           H1*        A   9  28.552 -11.369  23.224
   96    H8     A   9           H8         A   9  26.397  -9.647  20.714
   97   1H6     A   9          1H6         A   9  29.862 -12.107  16.242
   98   2H6     A   9          2H6         A   9  28.410 -11.200  16.605
   99    H2     A   9           H2         A   9  31.908 -12.901  20.171
  100   1H5*    C  10          1H5*        C  10  31.515  -5.475  24.294
  101   2H5*    C  10          2H5*        C  10  32.121  -4.300  23.109
  102    H4*    C  10           H4*        C  10  33.674  -6.240  23.953
  103    H3*    C  10           H3*        C  10  33.491  -5.356  21.024
  104    H2*    C  10           H2*        C  10  35.191  -6.960  20.572
  105   2HO*    C  10          2HO*        C  10  36.112  -6.452  22.870
  106    H1*    C  10           H1*        C  10  34.003  -8.987  21.896
  107   1H4     C  10          1H4         C  10  31.372  -8.515  16.026
  108   2H4     C  10          2H4         C  10  29.901  -8.000  16.819
  109    H5     C  10           H5         C  10  29.768  -7.538  19.182
  110    H6     C  10           H6         C  10  31.020  -7.461  21.286
  111   1H5*    U  11          1H5*        U  11  36.241  -2.065  19.234
  112   2H5*    U  11          2H5*        U  11  34.700  -2.857  18.861
  113    H4*    U  11           H4*        U  11  37.477  -3.748  18.024
  114    H3*    U  11           H3*        U  11  35.193  -2.403  16.587
  115    H2*    U  11           H2*        U  11  35.516  -3.756  14.686
  116   2HO*    U  11          2HO*        U  11  37.410  -4.886  14.311
  117    H1*    U  11           H1*        U  11  36.043  -6.130  15.935
  118    H3     U  11           H3         U  11  31.824  -5.826  13.926
  119    H5     U  11           H5         U  11  31.357  -5.295  18.081
  120    H6     U  11           H6         U  11  33.768  -5.089  18.257
  121   1H5*    C  12          1H5*        C  12  37.942  -2.910  13.903
  122   2H5*    C  12          2H5*        C  12  38.772  -1.413  13.436
  123    H4*    C  12           H4*        C  12  38.424  -2.594  11.409
  124    H3*    C  12           H3*        C  12  36.281  -0.466  11.762
  125    H2*    C  12           H2*        C  12  35.332  -1.114   9.689
  126   2HO*    C  12          2HO*        C  12  36.862  -2.983   8.688
  127    H1*    C  12           H1*        C  12  35.682  -3.830  10.000
  128   1H4     C  12          1H4         C  12  29.685  -2.709  11.817
  129   2H4     C  12          2H4         C  12  30.232  -2.020  13.330
  130    H5     C  12           H5         C  12  32.568  -1.742  13.884
  131    H6     C  12           H6         C  12  34.870  -2.025  13.086
  132   1H5*    U  13          1H5*        U  13  37.721   3.312   7.956
  133   2H5*    U  13          2H5*        U  13  36.113   2.762   8.475
  134    H4*    U  13           H4*        U  13  37.609   2.088   5.937
  135    H3*    U  13           H3*        U  13  35.012   3.476   6.562
  136    H2*    U  13           H2*        U  13  33.944   2.454   4.733
  137   2HO*    U  13          2HO*        U  13  35.414   2.809   3.114
  138    H1*    U  13           H1*        U  13  35.093  -0.032   4.896
  139    H3     U  13           H3         U  13  30.631  -0.184   6.098
  140    H5     U  13           H5         U  13  32.805   0.446   9.654
  141    H6     U  13           H6         U  13  34.780   0.838   8.299
  142   1H5*    G  14          1H5*        G  14  36.432   4.858   2.839
  143   2H5*    G  14          2H5*        G  14  36.589   6.594   2.505
  144    H4*    G  14           H4*        G  14  35.226   5.684   0.769
  145    H3*    G  14           H3*        G  14  33.567   7.137   2.859
  146    H2*    G  14           H2*        G  14  31.623   6.662   1.573
  147   2HO*    G  14          2HO*        G  14  32.572   5.270  -0.503
  148    H1*    G  14           H1*        G  14  32.227   4.054   1.069
  149    H8     G  14           H8         G  14  33.580   4.838   4.511
  150    H1     G  14           H1         G  14  27.270   3.749   4.487
  151   1H2     G  14          1H2         G  14  26.516   3.682   2.399
  152   2H2     G  14          2H2         G  14  27.564   3.899   1.015
  153   1H5*    G  15          1H5*        G  15  32.744   9.748  -0.530
  154   2H5*    G  15          2H5*        G  15  32.041  11.244   0.115
  155    H4*    G  15           H4*        G  15  30.508   9.423  -1.016
  156    H3*    G  15           H3*        G  15  29.777  10.836   1.586
  157    H2*    G  15           H2*        G  15  27.666   9.729   1.381
  158   2HO*    G  15          2HO*        G  15  28.366   8.549  -1.081
  159    H1*    G  15           H1*        G  15  28.753   7.300   0.703
  160    H8     G  15           H8         G  15  31.244   8.197   3.179
  161    H1     G  15           H1         G  15  25.529   7.484   5.980
  162   1H2     G  15          1H2         G  15  23.926   7.461   4.440
  163   2H2     G  15          2H2         G  15  24.263   7.619   2.731
  164   1H5*    U  16          1H5*        U  16  27.223  12.345  -1.101
  165   2H5*    U  16          2H5*        U  16  26.733  14.050  -1.175
  166    H4*    U  16           H4*        U  16  24.824  12.670  -0.575
  167    H3*    U  16           H3*        U  16  25.887  14.333   1.748
  168    H2*    U  16           H2*        U  16  24.039  13.550   3.013
  169   2HO*    U  16          2HO*        U  16  22.186  12.968   2.132
  170    H1*    U  16           H1*        U  16  24.115  10.955   2.045
  171    H3     U  16           H3         U  16  25.210  11.174   6.531
  172    H5     U  16           H5         U  16  28.821  11.641   4.405
  173    H6     U  16           H6         U  16  27.519  11.823   2.364
  174   1H5*    A  17          1H5*        A  17  22.166  16.958   1.040
  175   2H5*    A  17          2H5*        A  17  22.636  18.467   1.849
  176    H4*    A  17           H4*        A  17  20.772  16.924   2.890
  177    H3*    A  17           H3*        A  17  22.989  18.261   4.520
  178    H2*    A  17           H2*        A  17  22.015  17.267   6.442
  179   2HO*    A  17          2HO*        A  17  19.811  17.812   5.717
  180    H1*    A  17           H1*        A  17  21.426  14.830   5.304
  181    H8     A  17           H8         A  17  24.823  15.535   3.976
  182   1H6     A  17          1H6         A  17  27.084  14.224   9.585
  183   2H6     A  17          2H6         A  17  27.491  14.539   7.913
  184    H2     A  17           H2         A  17  22.617  14.533   9.925
  185   1H5*    U  18          1H5*        U  18  21.002  22.874   6.775
  186   2H5*    U  18          2H5*        U  18  22.483  21.909   6.632
  187    H4*    U  18           H4*        U  18  20.155  21.469   8.526
  188    H3*    U  18           H3*        U  18  23.061  22.293   8.873
  189    H2*    U  18           H2*        U  18  23.340  20.891  10.715
  190   2HO*    U  18          2HO*        U  18  21.235  21.650  11.607
  191    H1*    U  18           H1*        U  18  21.815  18.771   9.913
  192    H3     U  18           H3         U  18  26.251  17.665  10.032
  193    H5     U  18           H5         U  18  25.415  18.858   6.073
  194    H6     U  18           H6         U  18  23.287  19.729   6.862
  195   1H5*    U  19          1H5*        U  19  24.662  25.768  10.125
  196   2H5*    U  19          2H5*        U  19  24.215  24.186   9.452
  197    H4*    U  19           H4*        U  19  23.889  24.348  12.372
  198    H3*    U  19           H3*        U  19  26.675  24.708  11.188
  199    H2*    U  19           H2*        U  19  27.498  23.320  12.917
  200   2HO*    U  19          2HO*        U  19  26.193  22.751  14.712
  201    H1*    U  19           H1*        U  19  25.393  21.524  12.876
  202    H3     U  19           H3         U  19  29.451  19.743  11.357
  203    H5     U  19           H5         U  19  27.259  21.001   7.984
  204    H6     U  19           H6         U  19  25.713  22.118   9.483
  205   1H5*    A  20          1H5*        A  20  28.925  28.127  14.571
  206   2H5*    A  20          2H5*        A  20  30.011  26.777  14.184
  207    H4*    A  20           H4*        A  20  29.929  27.644  16.627
  208    H3*    A  20           H3*        A  20  30.457  25.022  15.609
  209    H2*    A  20           H2*        A  20  28.498  24.027  16.387
  210   2HO*    A  20          2HO*        A  20  29.249  24.015  19.008
  211    H1*    A  20           H1*        A  20  28.429  25.904  18.759
  212    H8     A  20           H8         A  20  26.294  24.360  15.899
  213   1H6     A  20          1H6         A  20  21.813  24.097  20.120
  214   2H6     A  20          2H6         A  20  22.283  23.687  18.486
  215    H2     A  20           H2         A  20  25.377  26.084  22.018
  216   1H5*    C  21          1H5*        C  21  33.678  21.938  18.025
  217   2H5*    C  21          2H5*        C  21  34.210  22.979  16.694
  218    H4*    C  21           H4*        C  21  32.262  20.702  16.681
  219    H3*    C  21           H3*        C  21  34.529  21.436  14.858
  220    H2*    C  21           H2*        C  21  33.301  20.987  12.979
  221   2HO*    C  21          2HO*        C  21  32.465  19.054  12.685
  222    H1*    C  21           H1*        C  21  30.721  20.690  14.370
  223   1H4     C  21          1H4         C  21  30.652  24.536   9.066
  224   2H4     C  21          2H4         C  21  29.474  25.363  10.059
  225    H5     C  21           H5         C  21  29.076  24.815  12.367
  226    H6     C  21           H6         C  21  29.708  23.341  14.218
  227   1H5*    G  22          1H5*        G  22  33.774  19.636  18.065
  228   2H5*    G  22          2H5*        G  22  34.849  18.451  18.832
  229    H4*    G  22           H4*        G  22  33.300  17.963  20.359
  230    H3*    G  22           H3*        G  22  31.471  17.376  18.000
  231    H2*    G  22           H2*        G  22  29.603  17.654  19.347
  232   2HO*    G  22          2HO*        G  22  31.299  16.570  21.254
  233    H1*    G  22           H1*        G  22  30.752  19.383  21.297
  234    H8     G  22           H8         G  22  29.383  21.572  21.109
  235    H1     G  22           H1         G  22  27.859  20.421  15.000
  236   1H2     G  22          1H2         G  22  28.935  18.633  14.266
  237   2H2     G  22          2H2         G  22  30.042  17.723  15.270
  238   1H5*    G  23          1H5*        G  23  30.734  12.303  17.837
  239   2H5*    G  23          2H5*        G  23  31.157  13.610  16.714
  240    H4*    G  23           H4*        G  23  29.745  14.228  19.302
  241    H3*    G  23           H3*        G  23  28.469  13.069  16.815
  242    H2*    G  23           H2*        G  23  26.701  14.616  16.997
  243   2HO*    G  23          2HO*        G  23  26.052  15.432  18.851
  244    H1*    G  23           H1*        G  23  28.185  16.806  17.705
  245    H8     G  23           H8         G  23  30.435  15.264  15.241
  246    H1     G  23           H1         G  23  25.260  17.743  12.411
  247   1H2     G  23          1H2         G  23  23.701  18.185  13.932
  248   2H2     G  23          2H2         G  23  23.939  17.873  15.637
  249   1H5*    U  24          1H5*        U  24  25.048  11.608  18.988
  250   2H5*    U  24          2H5*        U  24  24.728  10.131  18.062
  251    H4*    U  24           H4*        U  24  23.164  12.211  17.793
  252    H3*    U  24           H3*        U  24  24.149  10.552  15.420
  253    H2*    U  24           H2*        U  24  22.766  11.951  14.094
  254   2HO*    U  24          2HO*        U  24  21.112  11.900  15.981
  255    H1*    U  24           H1*        U  24  23.398  14.316  15.348
  256    H3     U  24           H3         U  24  25.136  13.858  11.043
  257    H5     U  24           H5         U  24  28.192  12.849  13.767
  258    H6     U  24           H6         U  24  26.524  12.845  15.533
  259   1H5*    A  25          1H5*        A  25  20.052   9.029  15.760
  260   2H5*    A  25          2H5*        A  25  19.965   7.387  15.097
  261    H4*    A  25           H4*        A  25  18.923   9.220  13.684
  262    H3*    A  25           H3*        A  25  21.074   7.426  12.546
  263    H2*    A  25           H2*        A  25  20.699   8.478  10.460
  264   2HO*    A  25          2HO*        A  25  18.483   9.920  11.451
  265    H1*    A  25           H1*        A  25  20.390  11.045  11.463
  266    H8     A  25           H8         A  25  23.289   9.790  13.388
  267   1H6     A  25          1H6         A  25  26.768  10.577   8.337
  268   2H6     A  25          2H6         A  25  26.785  10.269  10.059
  269    H2     A  25           H2         A  25  22.457  10.938   7.121
  270   1H5*    C  26          1H5*        C  26  17.612   5.766  10.183
  271   2H5*    C  26          2H5*        C  26  18.172   4.137   9.764
  272    H4*    C  26           H4*        C  26  17.877   5.923   7.888
  273    H3*    C  26           H3*        C  26  20.309   4.131   8.136
  274    H2*    C  26           H2*        C  26  21.046   5.068   6.092
  275   2HO*    C  26          2HO*        C  26  18.661   5.028   5.342
  276    H1*    C  26           H1*        C  26  20.309   7.670   6.672
  277   1H4     C  26          1H4         C  26  26.512   7.019   8.106
  278   2H4     C  26          2H4         C  26  26.072   6.649   9.758
  279    H5     C  26           H5         C  26  23.788   6.368  10.484
  280    H6     C  26           H6         C  26  21.439   6.365   9.778
  281   1H5*    C  27          1H5*        C  27  18.369   2.787   4.755
  282   2H5*    C  27          2H5*        C  27  18.403   1.059   4.361
  283    H4*    C  27           H4*        C  27  19.622   2.397   2.695
  284    H3*    C  27           H3*        C  27  21.482   0.675   4.407
  285    H2*    C  27           H2*        C  27  23.164   1.284   2.810
  286   2HO*    C  27          2HO*        C  27  21.380   1.165   1.040
  287    H1*    C  27           H1*        C  27  22.366   3.930   2.709
  288   1H4     C  27          1H4         C  27  27.187   3.353   6.895
  289   2H4     C  27          2H4         C  27  26.027   3.095   8.178
  290    H5     C  27           H5         C  27  23.650   2.936   7.797
  291    H6     C  27           H6         C  27  21.883   2.919   6.094
  292   1H5*    U  28          1H5*        U  28  23.330  -3.293   2.136
  293   2H5*    U  28          2H5*        U  28  23.606  -2.800   3.817
  294    H4*    U  28           H4*        U  28  25.194  -2.035   1.354
  295    H3*    U  28           H3*        U  28  25.824  -3.574   3.887
  296    H2*    U  28           H2*        U  28  28.016  -2.701   3.864
  297   2HO*    U  28          2HO*        U  28  28.207  -3.071   1.509
  298    H1*    U  28           H1*        U  28  27.397  -0.143   3.093
  299    H3     U  28           H3         U  28  28.750  -0.143   7.475
  300    H5     U  28           H5         U  28  24.613  -0.950   7.567
  301    H6     U  28           H6         U  28  24.672  -1.179   5.151
  302   1H5*    U  29          1H5*        U  29  26.514  -7.639   4.222
  303   2H5*    U  29          2H5*        U  29  26.623  -6.489   5.570
  304    H4*    U  29           H4*        U  29  28.349  -6.537   3.078
  305    H3*    U  29           H3*        U  29  28.820  -7.351   5.922
  306    H2*    U  29           H2*        U  29  30.913  -6.296   6.003
  307   2HO*    U  29          2HO*        U  29  31.342  -7.195   3.746
  308    H1*    U  29           H1*        U  29  30.332  -4.044   4.567
  309    H3     U  29           H3         U  29  30.852  -3.389   9.180
  310    H5     U  29           H5         U  29  26.723  -3.466   8.331
  311    H6     U  29           H6         U  29  27.263  -4.283   6.108
  312   1H5*    U  30          1H5*        U  30  31.964 -10.973   6.485
  313   2H5*    U  30          2H5*        U  30  31.635  -9.548   7.492
  314    H4*    U  30           H4*        U  30  34.118 -10.003   5.797
  315    H3*    U  30           H3*        U  30  33.553 -10.446   8.717
  316    H2*    U  30           H2*        U  30  35.478  -9.305   9.420
  317   2HO*    U  30          2HO*        U  30  37.268  -9.094   8.197
  318    H1*    U  30           H1*        U  30  35.500  -7.264   7.616
  319    H3     U  30           H3         U  30  34.122  -6.314  12.047
  320    H5     U  30           H5         U  30  30.769  -6.214   9.494
  321    H6     U  30           H6         U  30  32.134  -7.237   7.768
  322   1H5*    G  31          1H5*        G  31  37.035 -12.721   8.374
  323   2H5*    G  31          2H5*        G  31  36.867 -14.419   8.866
  324    H4*    G  31           H4*        G  31  38.523 -13.319  10.268
  325    H3*    G  31           H3*        G  31  35.922 -14.061  11.610
  326    H2*    G  31           H2*        G  31  36.710 -13.161  13.644
  327   2HO*    G  31          2HO*        G  31  38.726 -13.802  13.966
  328    H1*    G  31           H1*        G  31  37.941 -10.934  12.615
  329    H8     G  31           H8         G  31  34.821 -11.209  10.590
  330    H1     G  31           H1         G  31  33.666  -9.136  16.541
  331   1H2     G  31          1H2         G  31  35.461  -9.438  17.813
  332   2H2     G  31          2H2         G  31  36.941 -10.143  17.200
  333   1H5*    U  32          1H5*        U  32  38.533 -16.573  13.917
  334   2H5*    U  32          2H5*        U  32  37.658 -18.048  14.374
  335    H4*    U  32           H4*        U  32  38.249 -16.305  16.214
  336    H3*    U  32           H3*        U  32  35.521 -17.572  15.883
  337    H2*    U  32           H2*        U  32  34.784 -16.354  17.748
  338   2HO*    U  32          2HO*        U  32  36.624 -16.979  19.038
  339    H1*    U  32           H1*        U  32  36.353 -14.063  17.314
  340    H3     U  32           H3         U  32  31.790 -13.181  17.358
  341    H5     U  32           H5         U  32  32.875 -13.929  13.354
  342    H6     U  32           H6         U  32  35.033 -14.703  14.151
  343   1H5*    G  33          1H5*        G  33  34.425 -20.871  18.728
  344   2H5*    G  33          2H5*        G  33  32.985 -20.115  18.018
  345    H4*    G  33           H4*        G  33  34.648 -19.257  20.353
  346    H3*    G  33           H3*        G  33  31.681 -19.425  19.766
  347    H2*    G  33           H2*        G  33  31.282 -17.604  21.217
  348   2HO*    G  33          2HO*        G  33  32.846 -16.834  22.655
  349    H1*    G  33           H1*        G  33  33.326 -16.020  20.410
  350    H8     G  33           H8         G  33  32.711 -17.266  17.102
  351    H1     G  33           H1         G  33  27.510 -14.161  19.176
  352   1H2     G  33          1H2         G  33  27.627 -13.858  21.372
  353   2H2     G  33          2H2         G  33  28.984 -14.413  22.326
  354   1H5*    C  34          1H5*        C  34  30.388 -22.283  23.248
  355   2H5*    C  34          2H5*        C  34  29.195 -22.862  22.069
  356    H4*    C  34           H4*        C  34  28.692 -21.104  24.146
  357    H3*    C  34           H3*        C  34  27.118 -21.626  21.596
  358    H2*    C  34           H2*        C  34  25.705 -19.830  22.165
  359   2HO*    C  34          2HO*        C  34  25.220 -19.426  24.174
  360    H1*    C  34           H1*        C  34  27.644 -18.143  23.168
  361   1H4     C  34          1H4         C  34  26.352 -16.678  17.041
  362   2H4     C  34          2H4         C  34  27.906 -17.363  16.626
  363    H5     C  34           H5         C  34  29.298 -18.536  18.212
  364    H6     C  34           H6         C  34  29.484 -19.318  20.530
  365   1H5*    G  35          1H5*        G  35  22.744 -23.384  22.447
  366   2H5*    G  35          2H5*        G  35  23.580 -24.407  21.262
  367    H4*    G  35           H4*        G  35  21.716 -22.399  20.722
  368    H3*    G  35           H3*        G  35  23.740 -23.687  18.816
  369    H2*    G  35           H2*        G  35  22.909 -22.204  17.176
  370   2HO*    G  35          2HO*        G  35  20.733 -22.342  17.344
  371    H1*    G  35           H1*        G  35  22.581 -20.031  18.896
  372    H8     G  35           H8         G  35  25.904 -20.770  19.931
  373    H1     G  35           H1         G  35  25.941 -19.452  13.668
  374   1H2     G  35          1H2         G  35  23.882 -19.549  12.859
  375   2H2     G  35          2H2         G  35  22.498 -19.941  13.855
  376   1H5*    C  36          1H5*        C  36  19.709 -24.123  17.131
  377   2H5*    C  36          2H5*        C  36  19.460 -25.841  16.762
  378    H4*    C  36           H4*        C  36  18.599 -24.474  14.947
  379    H3*    C  36           H3*        C  36  21.094 -26.080  14.335
  380    H2*    C  36           H2*        C  36  21.049 -25.263  12.106
  381   2HO*    C  36          2HO*        C  36  19.098 -23.710  11.725
  382    H1*    C  36           H1*        C  36  20.582 -22.665  12.735
  383   1H4     C  36          1H4         C  36  26.935 -23.431  12.902
  384   2H4     C  36          2H4         C  36  26.837 -23.728  14.622
  385    H5     C  36           H5         C  36  24.747 -23.918  15.812
  386    H6     C  36           H6         C  36  22.306 -23.876  15.604
  387   1H5*    C  37          1H5*        C  37  18.608 -28.878  11.961
  388   2H5*    C  37          2H5*        C  37  19.510 -30.396  12.156
  389    H4*    C  37           H4*        C  37  19.653 -29.026   9.906
  390    H3*    C  37           H3*        C  37  22.089 -30.270  11.276
  391    H2*    C  37           H2*        C  37  23.352 -29.516   9.409
  392   2HO*    C  37          2HO*        C  37  21.536 -28.395   7.802
  393    H1*    C  37           H1*        C  37  22.068 -27.072   9.170
  394   1H4     C  37          1H4         C  37  27.572 -26.612  12.529
  395   2H4     C  37          2H4         C  37  26.601 -26.507  13.980
  396    H5     C  37           H5         C  37  24.202 -26.698  13.979
  397    H6     C  37           H6         C  37  22.224 -27.187  12.615
  398   1H5*    C  38          1H5*        C  38  22.300 -30.537   6.357
  399   2H5*    C  38          2H5*        C  38  21.716 -32.198   6.604
  400    H4*    C  38           H4*        C  38  23.446 -32.193   4.899
  401    H3*    C  38           H3*        C  38  24.059 -33.502   7.525
  402    H2*    C  38           H2*        C  38  26.310 -33.809   7.043
  403   2HO*    C  38          2HO*        C  38  25.421 -34.335   4.644
  404    H1*    C  38           H1*        C  38  26.806 -31.518   5.603
  405   1H4     C  38          1H4         C  38  28.732 -29.813  11.403
  406   2H4     C  38          2H4         C  38  27.108 -29.941  12.040
  407    H5     C  38           H5         C  38  25.228 -30.683  10.722
  408    H6     C  38           H6         C  38  24.504 -31.456   8.510
  409    H3T    C  38           H3T        C  38  23.886 -35.287   6.231
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  38.436 -28.322  11.651
    2   2H5*    G   1          2H5*        G   1  38.599 -26.680  10.997
    3    H4*    G   1           H4*        G   1  38.177 -28.080   9.126
    4    H3*    G   1           H3*        G   1  35.742 -26.516   9.995
    5    H2*    G   1           H2*        G   1  34.346 -27.646   8.483
    6   2HO*    G   1          2HO*        G   1  35.838 -29.222   7.030
    7    H1*    G   1           H1*        G   1  35.388 -30.161   8.716
    8    H8     G   1           H8         G   1  35.419 -28.618  12.165
    9    H1     G   1           H1         G   1  29.649 -30.785  10.426
   10   1H2     G   1          1H2         G   1  29.652 -31.310   8.271
   11   2H2     G   1          2H2         G   1  31.064 -31.114   7.257
   12    H5T    G   1           H5T        G   1  37.186 -26.281  12.506
   13   1H5*    G   2          1H5*        G   2  35.174 -26.476   6.343
   14   2H5*    G   2          2H5*        G   2  35.080 -24.910   5.515
   15    H4*    G   2           H4*        G   2  33.078 -26.037   4.954
   16    H3*    G   2           H3*        G   2  32.476 -24.065   7.210
   17    H2*    G   2           H2*        G   2  30.225 -24.757   7.074
   18   2HO*    G   2          2HO*        G   2  30.226 -24.627   4.709
   19    H1*    G   2           H1*        G   2  30.716 -27.444   6.561
   20    H8     G   2           H8         G   2  32.837 -25.819   9.330
   21    H1     G   2           H1         G   2  27.249 -28.226  11.322
   22   1H2     G   2          1H2         G   2  26.048 -28.905   9.584
   23   2H2     G   2          2H2         G   2  26.623 -28.771   7.937
   24   1H5*    G   3          1H5*        G   3  29.919 -22.302   3.744
   25   2H5*    G   3          2H5*        G   3  29.755 -20.606   4.238
   26    H4*    G   3           H4*        G   3  27.617 -22.063   4.006
   27    H3*    G   3           H3*        G   3  28.219 -20.247   6.355
   28    H2*    G   3           H2*        G   3  26.212 -20.921   7.359
   29   2HO*    G   3          2HO*        G   3  25.142 -22.345   5.247
   30    H1*    G   3           H1*        G   3  26.184 -23.568   6.450
   31    H8     G   3           H8         G   3  29.572 -22.672   7.888
   32    H1     G   3           H1         G   3  25.223 -24.140  12.353
   33   1H2     G   3          1H2         G   3  23.209 -24.293  11.433
   34   2H2     G   3          2H2         G   3  22.936 -24.038   9.724
   35   1H5*    C   4          1H5*        C   4  26.142 -15.813   6.427
   36   2H5*    C   4          2H5*        C   4  27.236 -17.111   6.950
   37    H4*    C   4           H4*        C   4  24.295 -17.631   6.513
   38    H3*    C   4           H3*        C   4  25.554 -16.315   8.918
   39    H2*    C   4           H2*        C   4  24.292 -17.681  10.349
   40   2HO*    C   4          2HO*        C   4  22.324 -17.204   9.086
   41    H1*    C   4           H1*        C   4  24.257 -19.993   8.788
   42   1H4     C   4          1H4         C   4  28.598 -20.659  13.479
   43   2H4     C   4          2H4         C   4  29.835 -20.380  12.274
   44    H5     C   4           H5         C   4  29.350 -19.729  10.009
   45    H6     C   4           H6         C   4  27.575 -19.163   8.414
   46   1H5*    U   5          1H5*        U   5  24.002 -15.320   5.517
   47   2H5*    U   5          2H5*        U   5  24.209 -13.668   4.893
   48    H4*    U   5           H4*        U   5  22.003 -13.554   4.113
   49    H3*    U   5           H3*        U   5  21.100 -14.787   6.373
   50    H2*    U   5           H2*        U   5  21.883 -16.975   5.847
   51   2HO*    U   5          2HO*        U   5  19.626 -17.396   4.316
   52    H1*    U   5           H1*        U   5  20.968 -16.704   2.990
   53    H3     U   5           H3         U   5  22.799 -21.008   4.023
   54    H5     U   5           H5         U   5  25.710 -18.525   2.257
   55    H6     U   5           H6         U   5  24.222 -16.640   2.606
   56   1H5*    A   6          1H5*        A   6  18.567 -11.869   7.182
   57   2H5*    A   6          2H5*        A   6  19.480 -13.374   7.391
   58    H4*    A   6           H4*        A   6  16.563 -13.012   8.143
   59    H3*    A   6           H3*        A   6  18.700 -11.970   9.629
   60    H2*    A   6           H2*        A   6  19.680 -14.002  10.266
   61   2HO*    A   6          2HO*        A   6  18.134 -14.792  12.161
   62    H1*    A   6           H1*        A   6  17.004 -15.386  10.384
   63    H8     A   6           H8         A   6  20.043 -16.005   8.062
   64   1H6     A   6          1H6         A   6  20.668 -21.324  11.137
   65   2H6     A   6          2H6         A   6  21.247 -20.362   9.797
   66    H2     A   6           H2         A   6  17.399 -18.960  13.115
   67   1H5*    G   7          1H5*        G   7  18.812 -10.173  13.580
   68   2H5*    G   7          2H5*        G   7  20.156 -11.312  13.347
   69    H4*    G   7           H4*        G   7  17.486 -11.815  14.686
   70    H3*    G   7           H3*        G   7  20.350 -11.753  15.633
   71    H2*    G   7           H2*        G   7  19.976 -13.590  17.062
   72   2HO*    G   7          2HO*        G   7  18.130 -13.366  18.103
   73    H1*    G   7           H1*        G   7  18.452 -15.102  15.381
   74    H8     G   7           H8         G   7  20.447 -14.512  12.651
   75    H1     G   7           H1         G   7  24.377 -16.418  17.334
   76   1H2     G   7          1H2         G   7  23.361 -16.235  19.298
   77   2H2     G   7          2H2         G   7  21.721 -15.649  19.458
   78   1H5*    C   8          1H5*        C   8  19.230 -11.448  18.913
   79   2H5*    C   8          2H5*        C   8  19.096  -9.913  19.792
   80    H4*    C   8           H4*        C   8  20.409 -11.051  21.272
   81    H3*    C   8           H3*        C   8  22.386  -9.885  19.288
   82    H2*    C   8           H2*        C   8  24.098 -10.838  20.621
   83   2HO*    C   8          2HO*        C   8  23.878 -11.168  22.708
   84    H1*    C   8           H1*        C   8  22.818 -13.236  21.088
   85   1H4     C   8          1H4         C   8  26.743 -13.958  16.080
   86   2H4     C   8          2H4         C   8  25.392 -13.648  15.014
   87    H5     C   8           H5         C   8  23.211 -12.992  15.803
   88    H6     C   8           H6         C   8  21.867 -12.460  17.783
   89   1H5*    A   9          1H5*        A   9  24.125  -7.895  23.008
   90   2H5*    A   9          2H5*        A   9  25.029  -6.621  22.170
   91    H4*    A   9           H4*        A   9  26.291  -8.531  23.471
   92    H3*    A   9           H3*        A   9  27.145  -7.724  20.648
   93    H2*    A   9           H2*        A   9  29.143  -8.985  21.214
   94   2HO*    A   9          2HO*        A   9  28.190  -8.607  23.810
   95    H1*    A   9           H1*        A   9  27.638 -11.084  22.108
   96    H8     A   9           H8         A   9  25.580  -9.708  19.319
   97   1H6     A   9          1H6         A   9  29.561 -12.210  15.322
   98   2H6     A   9          2H6         A   9  28.025 -11.391  15.504
   99    H2     A   9           H2         A   9  31.329 -12.572  19.446
  100   1H5*    C  10          1H5*        C  10  30.188  -5.043  22.881
  101   2H5*    C  10          2H5*        C  10  30.797  -3.906  21.662
  102    H4*    C  10           H4*        C  10  32.405  -5.693  22.723
  103    H3*    C  10           H3*        C  10  32.329  -5.018  19.742
  104    H2*    C  10           H2*        C  10  34.177  -6.511  19.495
  105   2HO*    C  10          2HO*        C  10  34.880  -5.795  21.835
  106    H1*    C  10           H1*        C  10  33.043  -8.525  20.888
  107   1H4     C  10          1H4         C  10  30.805  -8.661  14.841
  108   2H4     C  10          2H4         C  10  29.254  -8.184  15.493
  109    H5     C  10           H5         C  10  28.925  -7.560  17.799
  110    H6     C  10           H6         C  10  30.018  -7.248  19.969
  111   1H5*    U  11          1H5*        U  11  36.036  -4.033  19.776
  112   2H5*    U  11          2H5*        U  11  36.274  -2.408  19.109
  113    H4*    U  11           H4*        U  11  37.385  -4.174  17.777
  114    H3*    U  11           H3*        U  11  35.135  -2.622  16.426
  115    H2*    U  11           H2*        U  11  35.689  -3.784  14.421
  116   2HO*    U  11          2HO*        U  11  37.595  -4.974  14.218
  117    H1*    U  11           H1*        U  11  36.073  -6.239  15.605
  118    H3     U  11           H3         U  11  32.206  -5.979  13.015
  119    H5     U  11           H5         U  11  31.103  -5.387  17.041
  120    H6     U  11           H6         U  11  33.459  -5.183  17.585
  121   1H5*    C  12          1H5*        C  12  39.216  -0.559  12.941
  122   2H5*    C  12          2H5*        C  12  37.796   0.485  13.145
  123    H4*    C  12           H4*        C  12  38.493  -1.322  10.955
  124    H3*    C  12           H3*        C  12  36.355   0.780  11.359
  125    H2*    C  12           H2*        C  12  35.273   0.017   9.400
  126   2HO*    C  12          2HO*        C  12  36.351  -0.666   7.721
  127    H1*    C  12           H1*        C  12  36.027  -2.684   9.769
  128   1H4     C  12          1H4         C  12  29.768  -1.650  11.053
  129   2H4     C  12          2H4         C  12  30.165  -2.033  12.712
  130    H5     C  12           H5         C  12  32.431  -2.362  13.486
  131    H6     C  12           H6         C  12  34.797  -2.353  12.836
  132   1H5*    U  13          1H5*        U  13  38.941   2.773   7.270
  133   2H5*    U  13          2H5*        U  13  37.367   2.408   8.012
  134    H4*    U  13           H4*        U  13  38.223   1.997   5.137
  135    H3*    U  13           H3*        U  13  36.087   3.675   6.484
  136    H2*    U  13           H2*        U  13  34.680   3.349   4.616
  137   2HO*    U  13          2HO*        U  13  35.572   3.439   2.720
  138    H1*    U  13           H1*        U  13  35.355   0.713   4.119
  139    H3     U  13           H3         U  13  31.091   0.294   5.536
  140    H5     U  13           H5         U  13  33.211   1.304   9.037
  141    H6     U  13           H6         U  13  35.185   1.641   7.664
  142   1H5*    G  14          1H5*        G  14  37.346   6.597   2.905
  143   2H5*    G  14          2H5*        G  14  36.559   8.108   3.408
  144    H4*    G  14           H4*        G  14  35.759   6.832   1.243
  145    H3*    G  14           H3*        G  14  33.930   8.110   3.312
  146    H2*    G  14           H2*        G  14  32.064   7.390   2.021
  147   2HO*    G  14          2HO*        G  14  32.487   7.664  -0.068
  148    H1*    G  14           H1*        G  14  32.955   4.863   1.586
  149    H8     G  14           H8         G  14  34.273   5.797   4.989
  150    H1     G  14           H1         G  14  28.067   4.224   5.082
  151   1H2     G  14          1H2         G  14  27.286   4.081   3.009
  152   2H2     G  14          2H2         G  14  28.289   4.369   1.605
  153   1H5*    G  15          1H5*        G  15  32.661  10.394  -0.138
  154   2H5*    G  15          2H5*        G  15  31.816  11.831   0.471
  155    H4*    G  15           H4*        G  15  30.463   9.823  -0.569
  156    H3*    G  15           H3*        G  15  29.628  11.243   2.000
  157    H2*    G  15           H2*        G  15  27.642   9.914   1.868
  158   2HO*    G  15          2HO*        G  15  28.308   8.586  -0.475
  159    H1*    G  15           H1*        G  15  28.967   7.591   1.245
  160    H8     G  15           H8         G  15  31.387   8.791   3.650
  161    H1     G  15           H1         G  15  25.801   7.655   6.569
  162   1H2     G  15          1H2         G  15  24.185   7.439   5.058
  163   2H2     G  15          2H2         G  15  24.483   7.572   3.339
  164   1H5*    U  16          1H5*        U  16  26.850  12.117  -0.493
  165   2H5*    U  16          2H5*        U  16  26.164  13.719  -0.834
  166    H4*    U  16           H4*        U  16  24.388  12.359   0.004
  167    H3*    U  16           H3*        U  16  25.407  14.226   2.192
  168    H2*    U  16           H2*        U  16  23.637  13.405   3.547
  169   2HO*    U  16          2HO*        U  16  21.791  12.958   2.655
  170    H1*    U  16           H1*        U  16  23.876  10.767   2.745
  171    H3     U  16           H3         U  16  25.087  11.308   7.164
  172    H5     U  16           H5         U  16  28.582  11.978   4.904
  173    H6     U  16           H6         U  16  27.213  11.934   2.899
  174   1H5*    A  17          1H5*        A  17  21.474  16.478   1.627
  175   2H5*    A  17          2H5*        A  17  21.876  18.059   2.326
  176    H4*    A  17           H4*        A  17  20.222  16.422   3.571
  177    H3*    A  17           H3*        A  17  22.413  18.005   5.021
  178    H2*    A  17           H2*        A  17  21.580  17.035   7.021
  179   2HO*    A  17          2HO*        A  17  19.316  17.394   6.345
  180    H1*    A  17           H1*        A  17  21.114  14.517   5.989
  181    H8     A  17           H8         A  17  24.432  15.358   4.563
  182   1H6     A  17          1H6         A  17  26.879  14.453  10.176
  183   2H6     A  17          2H6         A  17  27.233  14.710   8.482
  184    H2     A  17           H2         A  17  22.410  14.521  10.602
  185   1H5*    U  18          1H5*        U  18  20.911  22.677   6.833
  186   2H5*    U  18          2H5*        U  18  22.178  21.483   6.493
  187    H4*    U  18           H4*        U  18  19.960  21.123   8.539
  188    H3*    U  18           H3*        U  18  22.803  22.139   8.834
  189    H2*    U  18           H2*        U  18  23.189  20.767  10.676
  190   2HO*    U  18          2HO*        U  18  21.675  20.209  12.066
  191    H1*    U  18           H1*        U  18  21.748  18.561   9.911
  192    H3     U  18           H3         U  18  26.270  17.761  10.123
  193    H5     U  18           H5         U  18  25.342  18.610   6.097
  194    H6     U  18           H6         U  18  23.170  19.407   6.842
  195   1H5*    U  19          1H5*        U  19  23.986  25.933   9.747
  196   2H5*    U  19          2H5*        U  19  25.068  24.758   8.970
  197    H4*    U  19           H4*        U  19  23.867  24.642  11.755
  198    H3*    U  19           H3*        U  19  26.662  24.905  10.670
  199    H2*    U  19           H2*        U  19  27.514  23.560  12.395
  200   2HO*    U  19          2HO*        U  19  26.297  23.079  14.264
  201    H1*    U  19           H1*        U  19  25.465  21.727  12.512
  202    H3     U  19           H3         U  19  29.522  20.101  10.768
  203    H5     U  19           H5         U  19  26.965  21.001   7.541
  204    H6     U  19           H6         U  19  25.489  22.123   9.103
  205   1H5*    A  20          1H5*        A  20  28.722  28.571  13.688
  206   2H5*    A  20          2H5*        A  20  29.942  27.316  13.389
  207    H4*    A  20           H4*        A  20  29.768  28.289  15.772
  208    H3*    A  20           H3*        A  20  30.496  25.656  14.917
  209    H2*    A  20           H2*        A  20  28.574  24.581  15.697
  210   2HO*    A  20          2HO*        A  20  29.337  24.772  18.329
  211    H1*    A  20           H1*        A  20  28.347  26.547  17.986
  212    H8     A  20           H8         A  20  26.367  24.746  15.165
  213   1H6     A  20          1H6         A  20  21.829  24.395  19.318
  214   2H6     A  20          2H6         A  20  22.355  23.940  17.712
  215    H2     A  20           H2         A  20  25.223  26.690  21.179
  216   1H5*    C  21          1H5*        C  21  34.063  23.053  17.149
  217   2H5*    C  21          2H5*        C  21  34.311  24.100  15.744
  218    H4*    C  21           H4*        C  21  32.604  21.638  16.008
  219    H3*    C  21           H3*        C  21  34.696  22.403  14.003
  220    H2*    C  21           H2*        C  21  33.392  21.747  12.243
  221   2HO*    C  21          2HO*        C  21  32.602  19.756  12.138
  222    H1*    C  21           H1*        C  21  30.927  21.370  13.812
  223   1H4     C  21          1H4         C  21  30.263  24.838   8.293
  224   2H4     C  21          2H4         C  21  29.093  25.650   9.308
  225    H5     C  21           H5         C  21  28.876  25.234  11.666
  226    H6     C  21           H6         C  21  29.721  23.934  13.562
  227   1H5*    G  22          1H5*        G  22  34.321  17.997  16.665
  228   2H5*    G  22          2H5*        G  22  33.360  19.442  16.295
  229    H4*    G  22           H4*        G  22  33.986  18.500  19.110
  230    H3*    G  22           H3*        G  22  31.669  17.827  17.287
  231    H2*    G  22           H2*        G  22  30.130  18.251  18.975
  232   2HO*    G  22          2HO*        G  22  30.451  17.428  20.876
  233    H1*    G  22           H1*        G  22  31.650  20.111  20.481
  234    H8     G  22           H8         G  22  30.073  22.135  20.460
  235    H1     G  22           H1         G  22  28.100  20.971  14.484
  236   1H2     G  22          1H2         G  22  29.185  19.238  13.642
  237   2H2     G  22          2H2         G  22  30.398  18.358  14.546
  238   1H5*    G  23          1H5*        G  23  31.569  14.133  19.255
  239   2H5*    G  23          2H5*        G  23  30.667  13.082  18.146
  240    H4*    G  23           H4*        G  23  29.600  15.087  19.731
  241    H3*    G  23           H3*        G  23  28.498  13.748  17.251
  242    H2*    G  23           H2*        G  23  26.703  15.275  17.285
  243   2HO*    G  23          2HO*        G  23  27.545  16.057  19.892
  244    H1*    G  23           H1*        G  23  28.152  17.509  17.994
  245    H8     G  23           H8         G  23  30.491  16.106  15.598
  246    H1     G  23           H1         G  23  25.176  18.061  12.622
  247   1H2     G  23          1H2         G  23  23.553  18.389  14.105
  248   2H2     G  23          2H2         G  23  23.784  18.131  15.819
  249   1H5*    U  24          1H5*        U  24  25.216  12.012  19.649
  250   2H5*    U  24          2H5*        U  24  24.952  10.501  18.759
  251    H4*    U  24           H4*        U  24  23.232  12.454  18.541
  252    H3*    U  24           H3*        U  24  24.232  10.814  16.175
  253    H2*    U  24           H2*        U  24  22.749  12.094  14.845
  254   2HO*    U  24          2HO*        U  24  21.146  11.995  16.783
  255    H1*    U  24           H1*        U  24  23.248  14.532  16.010
  256    H3     U  24           H3         U  24  24.960  14.038  11.699
  257    H5     U  24           H5         U  24  28.106  13.320  14.409
  258    H6     U  24           H6         U  24  26.465  13.270  16.199
  259   1H5*    A  25          1H5*        A  25  20.273   8.895  16.598
  260   2H5*    A  25          2H5*        A  25  20.441   7.261  15.927
  261    H4*    A  25           H4*        A  25  19.191   9.027  14.527
  262    H3*    A  25           H3*        A  25  21.449   7.359  13.400
  263    H2*    A  25           H2*        A  25  20.983   8.336  11.301
  264   2HO*    A  25          2HO*        A  25  18.676   9.649  12.245
  265    H1*    A  25           H1*        A  25  20.452  10.892  12.270
  266    H8     A  25           H8         A  25  23.511  10.021  14.120
  267   1H6     A  25          1H6         A  25  26.747  10.892   8.924
  268   2H6     A  25          2H6         A  25  26.843  10.678  10.657
  269    H2     A  25           H2         A  25  22.389  10.749   7.834
  270   1H5*    C  26          1H5*        C  26  18.074   5.531  10.961
  271   2H5*    C  26          2H5*        C  26  18.742   3.923  10.633
  272    H4*    C  26           H4*        C  26  18.331   5.580   8.661
  273    H3*    C  26           H3*        C  26  20.881   3.976   8.996
  274    H2*    C  26           H2*        C  26  21.536   4.838   6.889
  275   2HO*    C  26          2HO*        C  26  19.800   4.692   5.599
  276    H1*    C  26           H1*        C  26  20.615   7.411   7.332
  277   1H4     C  26          1H4         C  26  26.866   7.316   8.689
  278   2H4     C  26          2H4         C  26  26.481   6.984  10.364
  279    H5     C  26           H5         C  26  24.238   6.557  11.142
  280    H6     C  26           H6         C  26  21.886   6.340  10.480
  281   1H5*    C  27          1H5*        C  27  19.265   2.396   5.458
  282   2H5*    C  27          2H5*        C  27  19.539   0.655   5.276
  283    H4*    C  27           H4*        C  27  20.573   2.018   3.466
  284    H3*    C  27           H3*        C  27  22.585   0.563   5.250
  285    H2*    C  27           H2*        C  27  24.192   1.205   3.588
  286   2HO*    C  27          2HO*        C  27  22.345   0.867   1.876
  287    H1*    C  27           H1*        C  27  23.188   3.769   3.351
  288   1H4     C  27          1H4         C  27  28.072   3.821   7.499
  289   2H4     C  27          2H4         C  27  26.947   3.540   8.811
  290    H5     C  27           H5         C  27  24.589   3.168   8.469
  291    H6     C  27           H6         C  27  22.815   2.912   6.792
  292   1H5*    U  28          1H5*        U  28  23.540  -1.839   1.570
  293   2H5*    U  28          2H5*        U  28  24.164  -3.333   2.296
  294    H4*    U  28           H4*        U  28  25.744  -1.785   0.871
  295    H3*    U  28           H3*        U  28  26.474  -3.162   3.475
  296    H2*    U  28           H2*        U  28  28.613  -2.165   3.376
  297   2HO*    U  28          2HO*        U  28  28.781  -2.627   1.028
  298    H1*    U  28           H1*        U  28  27.828   0.313   2.513
  299    H3     U  28           H3         U  28  29.196   0.591   6.879
  300    H5     U  28           H5         U  28  25.128  -0.503   7.041
  301    H6     U  28           H6         U  28  25.187  -0.824   4.635
  302   1H5*    U  29          1H5*        U  29  27.917  -7.229   3.811
  303   2H5*    U  29          2H5*        U  29  27.320  -5.573   4.039
  304    H4*    U  29           H4*        U  29  29.770  -5.858   2.386
  305    H3*    U  29           H3*        U  29  29.769  -6.502   5.343
  306    H2*    U  29           H2*        U  29  31.765  -5.267   5.582
  307   2HO*    U  29          2HO*        U  29  32.719  -4.427   3.472
  308    H1*    U  29           H1*        U  29  31.098  -3.200   3.886
  309    H3     U  29           H3         U  29  31.255  -2.203   8.490
  310    H5     U  29           H5         U  29  27.220  -2.549   7.322
  311    H6     U  29           H6         U  29  27.979  -3.503   5.221
  312   1H5*    U  30          1H5*        U  30  33.637  -8.854   3.898
  313   2H5*    U  30          2H5*        U  30  33.440 -10.332   4.863
  314    H4*    U  30           H4*        U  30  35.664  -8.976   5.039
  315    H3*    U  30           H3*        U  30  34.102 -10.018   7.413
  316    H2*    U  30           H2*        U  30  35.707  -9.078   8.863
  317   2HO*    U  30          2HO*        U  30  37.404  -8.534   6.648
  318    H1*    U  30           H1*        U  30  36.150  -6.750   7.434
  319    H3     U  30           H3         U  30  34.006  -6.183  11.562
  320    H5     U  30           H5         U  30  31.057  -6.172   8.549
  321    H6     U  30           H6         U  30  32.743  -6.951   6.988
  322   1H5*    G  31          1H5*        G  31  37.629 -13.093   7.776
  323   2H5*    G  31          2H5*        G  31  36.782 -14.400   8.628
  324    H4*    G  31           H4*        G  31  38.680 -13.054   9.843
  325    H3*    G  31           H3*        G  31  36.028 -13.859  11.048
  326    H2*    G  31           H2*        G  31  36.636 -12.777  13.060
  327   2HO*    G  31          2HO*        G  31  38.657 -13.229  13.566
  328    H1*    G  31           H1*        G  31  37.794 -10.556  11.938
  329    H8     G  31           H8         G  31  34.860 -11.087   9.731
  330    H1     G  31           H1         G  31  33.128  -8.915  15.503
  331   1H2     G  31          1H2         G  31  34.830  -9.079  16.919
  332   2H2     G  31          2H2         G  31  36.388  -9.715  16.446
  333   1H5*    U  32          1H5*        U  32  38.640 -16.096  13.913
  334   2H5*    U  32          2H5*        U  32  37.663 -17.522  14.315
  335    H4*    U  32           H4*        U  32  38.208 -15.739  16.162
  336    H3*    U  32           H3*        U  32  35.501 -17.029  15.731
  337    H2*    U  32           H2*        U  32  34.692 -15.769  17.553
  338   2HO*    U  32          2HO*        U  32  36.373 -14.534  18.821
  339    H1*    U  32           H1*        U  32  36.130 -13.444  17.048
  340    H3     U  32           H3         U  32  31.547 -12.854  16.637
  341    H5     U  32           H5         U  32  33.011 -13.825  12.805
  342    H6     U  32           H6         U  32  35.135 -14.395  13.832
  343   1H5*    G  33          1H5*        G  33  34.377 -20.409  19.548
  344   2H5*    G  33          2H5*        G  33  33.792 -19.308  18.286
  345    H4*    G  33           H4*        G  33  34.562 -18.443  21.093
  346    H3*    G  33           H3*        G  33  31.857 -19.187  19.950
  347    H2*    G  33           H2*        G  33  30.882 -17.421  21.185
  348   2HO*    G  33          2HO*        G  33  32.936 -16.346  22.514
  349    H1*    G  33           H1*        G  33  32.806 -15.552  20.680
  350    H8     G  33           H8         G  33  32.816 -17.118  17.397
  351    H1     G  33           H1         G  33  27.205 -14.214  18.437
  352   1H2     G  33          1H2         G  33  26.992 -13.712  20.589
  353   2H2     G  33          2H2         G  33  28.230 -14.086  21.767
  354   1H5*    C  34          1H5*        C  34  30.309 -18.498  23.496
  355   2H5*    C  34          2H5*        C  34  29.767 -20.075  24.104
  356    H4*    C  34           H4*        C  34  27.907 -18.553  24.229
  357    H3*    C  34           H3*        C  34  27.629 -20.497  21.915
  358    H2*    C  34           H2*        C  34  25.563 -19.525  21.390
  359   2HO*    C  34          2HO*        C  34  25.544 -18.979  24.110
  360    H1*    C  34           H1*        C  34  26.227 -16.904  22.157
  361   1H4     C  34          1H4         C  34  26.170 -16.976  15.789
  362   2H4     C  34          2H4         C  34  27.760 -17.704  15.764
  363    H5     C  34           H5         C  34  28.929 -18.390  17.762
  364    H6     C  34           H6         C  34  28.811 -18.541  20.209
  365   1H5*    G  35          1H5*        G  35  23.887 -21.986  23.393
  366   2H5*    G  35          2H5*        G  35  24.030 -23.660  22.825
  367    H4*    G  35           H4*        G  35  22.371 -22.022  21.639
  368    H3*    G  35           H3*        G  35  24.291 -23.856  20.183
  369    H2*    G  35           H2*        G  35  23.393 -23.086  18.146
  370   2HO*    G  35          2HO*        G  35  21.304 -22.879  18.069
  371    H1*    G  35           H1*        G  35  23.049 -20.432  18.932
  372    H8     G  35           H8         G  35  26.462 -21.374  20.091
  373    H1     G  35           H1         G  35  26.184 -20.599  13.743
  374   1H2     G  35          1H2         G  35  24.074 -20.485  13.083
  375   2H2     G  35          2H2         G  35  22.732 -20.604  14.199
  376   1H5*    C  36          1H5*        C  36  19.898 -25.635  19.269
  377   2H5*    C  36          2H5*        C  36  20.327 -27.302  18.839
  378    H4*    C  36           H4*        C  36  18.954 -25.917  17.145
  379    H3*    C  36           H3*        C  36  21.456 -27.467  16.399
  380    H2*    C  36           H2*        C  36  21.097 -26.815  14.138
  381   2HO*    C  36          2HO*        C  36  18.849 -25.304  14.419
  382    H1*    C  36           H1*        C  36  20.580 -24.199  14.677
  383   1H4     C  36          1H4         C  36  26.926 -24.653  13.998
  384   2H4     C  36          2H4         C  36  27.081 -24.892  15.724
  385    H5     C  36           H5         C  36  25.187 -25.133  17.198
  386    H6     C  36           H6         C  36  22.741 -25.210  17.331
  387   1H5*    C  37          1H5*        C  37  18.881 -30.382  14.267
  388   2H5*    C  37          2H5*        C  37  19.837 -31.871  14.430
  389    H4*    C  37           H4*        C  37  19.675 -30.639  12.110
  390    H3*    C  37           H3*        C  37  22.298 -31.721  13.257
  391    H2*    C  37           H2*        C  37  23.312 -31.052  11.212
  392   2HO*    C  37          2HO*        C  37  21.940 -31.734   9.649
  393    H1*    C  37           H1*        C  37  21.934 -28.662  10.987
  394   1H4     C  37          1H4         C  37  27.747 -27.832  13.672
  395   2H4     C  37          2H4         C  37  26.951 -27.722  15.227
  396    H5     C  37           H5         C  37  24.581 -28.020  15.517
  397    H6     C  37           H6         C  37  22.480 -28.639  14.413
  398   1H5*    C  38          1H5*        C  38  21.789 -32.797   8.098
  399   2H5*    C  38          2H5*        C  38  21.627 -34.433   8.772
  400    H4*    C  38           H4*        C  38  23.290 -34.223   6.889
  401    H3*    C  38           H3*        C  38  24.042 -35.255   9.613
  402    H2*    C  38           H2*        C  38  26.294 -35.390   9.068
  403   2HO*    C  38          2HO*        C  38  26.871 -36.124   7.191
  404    H1*    C  38           H1*        C  38  26.461 -33.203   7.356
  405   1H4     C  38          1H4         C  38  28.885 -30.891  12.746
  406   2H4     C  38          2H4         C  38  27.344 -31.035  13.561
  407    H5     C  38           H5         C  38  25.387 -31.992  12.524
  408    H6     C  38           H6         C  38  24.490 -33.008  10.480
  409    H3T    C  38           H3T        C  38  23.384 -36.974   8.613
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  38.813 -28.522  11.055
    2   2H5*    G   1          2H5*        G   1  39.018 -26.843  10.515
    3    H4*    G   1           H4*        G   1  38.555 -28.101   8.555
    4    H3*    G   1           H3*        G   1  36.189 -26.515   9.532
    5    H2*    G   1           H2*        G   1  34.734 -27.501   7.983
    6   2HO*    G   1          2HO*        G   1  36.257 -29.020   6.428
    7    H1*    G   1           H1*        G   1  35.701 -30.061   8.014
    8    H8     G   1           H8         G   1  35.765 -28.674  11.548
    9    H1     G   1           H1         G   1  30.005 -30.816   9.746
   10   1H2     G   1          1H2         G   1  30.003 -31.258   7.572
   11   2H2     G   1          2H2         G   1  31.412 -31.019   6.563
   12    H5T    G   1           H5T        G   1  37.691 -27.027  12.372
   13   1H5*    G   2          1H5*        G   2  35.370 -26.670   5.642
   14   2H5*    G   2          2H5*        G   2  35.194 -25.019   5.018
   15    H4*    G   2           H4*        G   2  33.196 -26.311   4.514
   16    H3*    G   2           H3*        G   2  32.786 -24.201   6.664
   17    H2*    G   2           H2*        G   2  30.519 -24.814   6.756
   18   2HO*    G   2          2HO*        G   2  29.964 -26.476   4.877
   19    H1*    G   2           H1*        G   2  30.888 -27.548   6.229
   20    H8     G   2           H8         G   2  33.040 -25.843   8.941
   21    H1     G   2           H1         G   2  27.561 -28.387  11.061
   22   1H2     G   2          1H2         G   2  26.355 -29.131   9.353
   23   2H2     G   2          2H2         G   2  26.901 -29.008   7.695
   24   1H5*    G   3          1H5*        G   3  29.926 -22.437   3.327
   25   2H5*    G   3          2H5*        G   3  29.857 -20.765   3.918
   26    H4*    G   3           H4*        G   3  27.685 -22.245   3.842
   27    H3*    G   3           H3*        G   3  28.453 -20.423   6.150
   28    H2*    G   3           H2*        G   3  26.489 -21.093   7.248
   29   2HO*    G   3          2HO*        G   3  24.993 -22.479   5.734
   30    H1*    G   3           H1*        G   3  26.427 -23.732   6.290
   31    H8     G   3           H8         G   3  29.833 -22.799   7.683
   32    H1     G   3           H1         G   3  25.607 -24.503  12.183
   33   1H2     G   3          1H2         G   3  23.581 -24.685  11.294
   34   2H2     G   3          2H2         G   3  23.269 -24.393   9.598
   35   1H5*    C   4          1H5*        C   4  24.644 -19.622   5.360
   36   2H5*    C   4          2H5*        C   4  24.189 -17.917   5.160
   37    H4*    C   4           H4*        C   4  22.795 -18.990   6.855
   38    H3*    C   4           H3*        C   4  24.827 -17.026   7.922
   39    H2*    C   4           H2*        C   4  24.031 -17.374  10.107
   40   2HO*    C   4          2HO*        C   4  21.984 -18.022  10.577
   41    H1*    C   4           H1*        C   4  23.230 -20.071   9.683
   42   1H4     C   4          1H4         C   4  28.288 -20.397  13.538
   43   2H4     C   4          2H4         C   4  29.356 -20.053  12.195
   44    H5     C   4           H5         C   4  28.569 -19.538   9.981
   45    H6     C   4           H6         C   4  26.587 -19.199   8.579
   46   1H5*    U   5          1H5*        U   5  19.070 -17.302   6.039
   47   2H5*    U   5          2H5*        U   5  19.644 -16.898   4.406
   48    H4*    U   5           H4*        U   5  19.305 -14.520   4.841
   49    H3*    U   5           H3*        U   5  19.560 -14.885   7.520
   50    H2*    U   5           H2*        U   5  17.634 -16.262   7.810
   51   2HO*    U   5          2HO*        U   5  16.739 -13.568   8.066
   52    H1*    U   5           H1*        U   5  15.976 -14.470   6.050
   53    H3     U   5           H3         U   5  12.917 -17.633   7.417
   54    H5     U   5           H5         U   5  15.417 -19.541   4.609
   55    H6     U   5           H6         U   5  16.877 -17.606   4.693
   56   1H5*    A   6          1H5*        A   6  21.462 -11.772   9.469
   57   2H5*    A   6          2H5*        A   6  21.344 -13.465   9.984
   58    H4*    A   6           H4*        A   6  19.117 -11.441   9.684
   59    H3*    A   6           H3*        A   6  20.283 -12.968  12.001
   60    H2*    A   6           H2*        A   6  18.161 -13.276  12.944
   61   2HO*    A   6          2HO*        A   6  17.410 -11.094  11.294
   62    H1*    A   6           H1*        A   6  16.720 -13.638  10.616
   63    H8     A   6           H8         A   6  19.284 -15.882   9.632
   64   1H6     A   6          1H6         A   6  17.778 -19.799  14.163
   65   2H6     A   6          2H6         A   6  18.646 -19.608  12.658
   66    H2     A   6           H2         A   6  15.866 -15.834  15.069
   67   1H5*    G   7          1H5*        G   7  17.573 -11.419  14.231
   68   2H5*    G   7          2H5*        G   7  18.406 -10.398  15.422
   69    H4*    G   7           H4*        G   7  16.951 -12.218  16.398
   70    H3*    G   7           H3*        G   7  19.882 -12.000  17.080
   71    H2*    G   7           H2*        G   7  19.732 -13.916  18.452
   72   2HO*    G   7          2HO*        G   7  17.344 -14.784  18.555
   73    H1*    G   7           H1*        G   7  18.149 -15.426  16.811
   74    H8     G   7           H8         G   7  19.951 -14.550  13.998
   75    H1     G   7           H1         G   7  24.202 -16.689  18.282
   76   1H2     G   7          1H2         G   7  23.298 -16.698  20.310
   77   2H2     G   7          2H2         G   7  21.653 -16.182  20.607
   78   1H5*    C   8          1H5*        C   8  18.940 -11.656  20.655
   79   2H5*    C   8          2H5*        C   8  19.133 -10.094  21.473
   80    H4*    C   8           H4*        C   8  20.498 -11.504  22.725
   81    H3*    C   8           H3*        C   8  22.271 -10.213  20.626
   82    H2*    C   8           H2*        C   8  24.085 -11.279  21.716
   83   2HO*    C   8          2HO*        C   8  23.351 -10.753  23.871
   84    H1*    C   8           H1*        C   8  22.756 -13.669  22.186
   85   1H4     C   8          1H4         C   8  26.337 -14.298  16.913
   86   2H4     C   8          2H4         C   8  24.936 -13.886  15.949
   87    H5     C   8           H5         C   8  22.837 -13.182  16.904
   88    H6     C   8           H6         C   8  21.640 -12.696  18.986
   89   1H5*    A   9          1H5*        A   9  24.608  -8.887  24.474
   90   2H5*    A   9          2H5*        A   9  25.365  -7.505  23.662
   91    H4*    A   9           H4*        A   9  26.830  -9.486  24.589
   92    H3*    A   9           H3*        A   9  27.294  -8.403  21.779
   93    H2*    A   9           H2*        A   9  29.382  -9.632  21.975
   94   2HO*    A   9          2HO*        A   9  28.874  -9.370  24.659
   95    H1*    A   9           H1*        A   9  28.045 -11.848  22.886
   96    H8     A   9           H8         A   9  25.679 -10.327  20.431
   97   1H6     A   9          1H6         A   9  29.242 -12.475  15.876
   98   2H6     A   9          2H6         A   9  27.726 -11.699  16.274
   99    H2     A   9           H2         A   9  31.439 -13.086  19.757
  100   1H5*    C  10          1H5*        C  10  30.605  -6.013  23.831
  101   2H5*    C  10          2H5*        C  10  31.067  -4.720  22.707
  102    H4*    C  10           H4*        C  10  32.774  -6.626  23.310
  103    H3*    C  10           H3*        C  10  32.297  -5.603  20.487
  104    H2*    C  10           H2*        C  10  34.144  -6.980  19.834
  105   2HO*    C  10          2HO*        C  10  35.576  -7.773  21.232
  106    H1*    C  10           H1*        C  10  33.219  -9.172  21.140
  107   1H4     C  10          1H4         C  10  30.432  -8.843  15.335
  108   2H4     C  10          2H4         C  10  28.941  -8.460  16.163
  109    H5     C  10           H5         C  10  28.815  -8.040  18.534
  110    H6     C  10           H6         C  10  30.097  -7.891  20.616
  111   1H5*    U  11          1H5*        U  11  36.518  -4.301  19.923
  112   2H5*    U  11          2H5*        U  11  36.060  -2.738  19.221
  113    H4*    U  11           H4*        U  11  37.387  -4.491  17.798
  114    H3*    U  11           H3*        U  11  35.000  -2.891  16.785
  115    H2*    U  11           H2*        U  11  35.371  -3.894  14.654
  116   2HO*    U  11          2HO*        U  11  37.256  -5.033  14.181
  117    H1*    U  11           H1*        U  11  35.868  -6.422  15.604
  118    H3     U  11           H3         U  11  31.747  -6.039  13.482
  119    H5     U  11           H5         U  11  31.082  -5.667  17.628
  120    H6     U  11           H6         U  11  33.483  -5.490  17.929
  121   1H5*    C  12          1H5*        C  12  37.103   0.892  13.654
  122   2H5*    C  12          2H5*        C  12  35.519   0.141  13.377
  123    H4*    C  12           H4*        C  12  38.113  -0.419  11.897
  124    H3*    C  12           H3*        C  12  35.613   1.093  11.218
  125    H2*    C  12           H2*        C  12  35.326   0.057   9.141
  126   2HO*    C  12          2HO*        C  12  38.099  -0.361   9.342
  127    H1*    C  12           H1*        C  12  36.165  -2.478   9.724
  128   1H4     C  12          1H4         C  12  29.762  -1.845  10.459
  129   2H4     C  12          2H4         C  12  30.031  -2.303  12.125
  130    H5     C  12           H5         C  12  32.235  -2.555  13.085
  131    H6     C  12           H6         C  12  34.644  -2.382  12.658
  132   1H5*    U  13          1H5*        U  13  38.913   2.627   7.640
  133   2H5*    U  13          2H5*        U  13  38.199   4.254   7.689
  134    H4*    U  13           H4*        U  13  38.384   2.977   5.409
  135    H3*    U  13           H3*        U  13  35.970   4.513   6.370
  136    H2*    U  13           H2*        U  13  34.794   3.888   4.429
  137   2HO*    U  13          2HO*        U  13  36.998   4.259   3.214
  138    H1*    U  13           H1*        U  13  35.789   1.311   4.202
  139    H3     U  13           H3         U  13  31.360   0.839   5.160
  140    H5     U  13           H5         U  13  33.181   1.665   8.872
  141    H6     U  13           H6         U  13  35.247   2.126   7.681
  142   1H5*    G  14          1H5*        G  14  37.474   7.507   2.847
  143   2H5*    G  14          2H5*        G  14  36.597   8.967   3.349
  144    H4*    G  14           H4*        G  14  36.041   7.836   1.051
  145    H3*    G  14           H3*        G  14  34.023   8.888   3.058
  146    H2*    G  14           H2*        G  14  32.246   8.150   1.667
  147   2HO*    G  14          2HO*        G  14  32.715   8.573  -0.385
  148    H1*    G  14           H1*        G  14  33.259   5.700   1.106
  149    H8     G  14           H8         G  14  34.481   6.433   4.585
  150    H1     G  14           H1         G  14  28.318   4.702   4.453
  151   1H2     G  14          1H2         G  14  27.576   4.689   2.361
  152   2H2     G  14          2H2         G  14  28.594   5.100   0.999
  153   1H5*    G  15          1H5*        G  15  32.885  11.420  -0.300
  154   2H5*    G  15          2H5*        G  15  31.972  12.783   0.378
  155    H4*    G  15           H4*        G  15  30.724  10.835  -0.879
  156    H3*    G  15           H3*        G  15  29.751  12.045   1.745
  157    H2*    G  15           H2*        G  15  27.813  10.673   1.466
  158   2HO*    G  15          2HO*        G  15  27.724  11.063  -0.886
  159    H1*    G  15           H1*        G  15  29.210   8.425   0.754
  160    H8     G  15           H8         G  15  31.560   9.556   3.265
  161    H1     G  15           H1         G  15  25.956   8.124   6.014
  162   1H2     G  15          1H2         G  15  24.373   7.948   4.464
  163   2H2     G  15          2H2         G  15  24.696   8.180   2.760
  164   1H5*    U  16          1H5*        U  16  27.102  12.918  -0.781
  165   2H5*    U  16          2H5*        U  16  26.350  14.474  -1.187
  166    H4*    U  16           H4*        U  16  24.579  13.112  -0.419
  167    H3*    U  16           H3*        U  16  25.513  14.895   1.870
  168    H2*    U  16           H2*        U  16  23.730  13.989   3.155
  169   2HO*    U  16          2HO*        U  16  22.126  12.644   2.141
  170    H1*    U  16           H1*        U  16  24.036  11.392   2.271
  171    H3     U  16           H3         U  16  25.207  11.768   6.709
  172    H5     U  16           H5         U  16  28.692  12.667   4.516
  173    H6     U  16           H6         U  16  27.343  12.662   2.497
  174   1H5*    A  17          1H5*        A  17  21.480  17.017   1.309
  175   2H5*    A  17          2H5*        A  17  21.804  18.584   2.078
  176    H4*    A  17           H4*        A  17  20.144  16.866   3.193
  177    H3*    A  17           H3*        A  17  22.247  18.462   4.737
  178    H2*    A  17           H2*        A  17  21.417  17.423   6.707
  179   2HO*    A  17          2HO*        A  17  19.269  16.268   5.261
  180    H1*    A  17           H1*        A  17  21.064  14.914   5.625
  181    H8     A  17           H8         A  17  24.347  15.971   4.229
  182   1H6     A  17          1H6         A  17  26.820  14.948   9.810
  183   2H6     A  17          2H6         A  17  27.166  15.296   8.130
  184    H2     A  17           H2         A  17  22.353  14.768  10.215
  185   1H5*    U  18          1H5*        U  18  21.111  22.548   6.918
  186   2H5*    U  18          2H5*        U  18  22.766  21.934   7.079
  187    H4*    U  18           H4*        U  18  20.315  21.263   8.679
  188    H3*    U  18           H3*        U  18  23.125  22.159   9.311
  189    H2*    U  18           H2*        U  18  23.409  20.639  11.034
  190   2HO*    U  18          2HO*        U  18  21.174  21.286  11.820
  191    H1*    U  18           H1*        U  18  22.013  18.493  10.108
  192    H3     U  18           H3         U  18  26.549  17.753  10.270
  193    H5     U  18           H5         U  18  25.596  18.798   6.298
  194    H6     U  18           H6         U  18  23.412  19.520   7.088
  195   1H5*    U  19          1H5*        U  19  22.629  22.104  12.710
  196   2H5*    U  19          2H5*        U  19  22.526  23.678  13.525
  197    H4*    U  19           H4*        U  19  24.328  22.710  14.622
  198    H3*    U  19           H3*        U  19  25.659  24.060  12.215
  199    H2*    U  19           H2*        U  19  27.733  23.345  13.150
  200   2HO*    U  19          2HO*        U  19  27.586  22.214  15.291
  201    H1*    U  19           H1*        U  19  26.813  20.845  13.870
  202    H3     U  19           H3         U  19  29.650  19.975  10.420
  203    H5     U  19           H5         U  19  26.224  21.593   8.575
  204    H6     U  19           H6         U  19  25.338  22.075  10.782
  205   1H5*    A  20          1H5*        A  20  28.601  27.369  15.548
  206   2H5*    A  20          2H5*        A  20  29.735  26.050  15.192
  207    H4*    A  20           H4*        A  20  29.589  26.992  17.621
  208    H3*    A  20           H3*        A  20  30.367  24.424  16.676
  209    H2*    A  20           H2*        A  20  28.438  23.298  17.362
  210   2HO*    A  20          2HO*        A  20  29.201  23.342  20.011
  211    H1*    A  20           H1*        A  20  28.189  25.128  19.762
  212    H8     A  20           H8         A  20  26.226  23.453  16.854
  213   1H6     A  20          1H6         A  20  21.692  22.847  20.983
  214   2H6     A  20          2H6         A  20  22.222  22.479  19.356
  215    H2     A  20           H2         A  20  25.064  25.078  22.958
  216   1H5*    C  21          1H5*        C  21  34.585  23.022  17.939
  217   2H5*    C  21          2H5*        C  21  34.878  24.064  16.538
  218    H4*    C  21           H4*        C  21  33.194  21.601  16.773
  219    H3*    C  21           H3*        C  21  35.130  22.445  14.678
  220    H2*    C  21           H2*        C  21  33.717  21.837  12.986
  221   2HO*    C  21          2HO*        C  21  32.895  19.842  12.871
  222    H1*    C  21           H1*        C  21  31.382  21.347  14.723
  223   1H4     C  21          1H4         C  21  30.198  24.889   9.338
  224   2H4     C  21          2H4         C  21  29.075  25.635  10.452
  225    H5     C  21           H5         C  21  29.049  25.169  12.812
  226    H6     C  21           H6         C  21  30.077  23.864  14.612
  227   1H5*    G  22          1H5*        G  22  34.249  16.973  14.549
  228   2H5*    G  22          2H5*        G  22  33.841  18.650  14.962
  229    H4*    G  22           H4*        G  22  35.465  17.056  16.913
  230    H3*    G  22           H3*        G  22  32.518  16.605  16.315
  231    H2*    G  22           H2*        G  22  32.031  16.587  18.623
  232   2HO*    G  22          2HO*        G  22  33.351  15.739  20.028
  233    H1*    G  22           H1*        G  22  33.881  18.493  19.420
  234    H8     G  22           H8         G  22  32.014  19.994  20.361
  235    H1     G  22           H1         G  22  28.811  20.045  14.819
  236   1H2     G  22          1H2         G  22  29.825  18.755  13.336
  237   2H2     G  22          2H2         G  22  31.291  17.874  13.702
  238   1H5*    G  23          1H5*        G  23  31.861  14.130  18.934
  239   2H5*    G  23          2H5*        G  23  30.921  12.808  18.216
  240    H4*    G  23           H4*        G  23  29.793  14.574  19.828
  241    H3*    G  23           H3*        G  23  28.599  13.377  17.325
  242    H2*    G  23           H2*        G  23  26.715  14.775  17.524
  243   2HO*    G  23          2HO*        G  23  27.616  15.472  20.135
  244    H1*    G  23           H1*        G  23  27.997  17.070  18.254
  245    H8     G  23           H8         G  23  30.432  15.760  15.840
  246    H1     G  23           H1         G  23  25.105  17.727  12.894
  247   1H2     G  23          1H2         G  23  23.477  18.011  14.381
  248   2H2     G  23          2H2         G  23  23.707  17.720  16.090
  249   1H5*    U  24          1H5*        U  24  24.984  12.053  19.319
  250   2H5*    U  24          2H5*        U  24  24.821  10.527  18.429
  251    H4*    U  24           H4*        U  24  23.147  12.500  17.998
  252    H3*    U  24           H3*        U  24  24.334  10.880  15.669
  253    H2*    U  24           H2*        U  24  22.857  12.165  14.329
  254   2HO*    U  24          2HO*        U  24  21.187  11.963  16.194
  255    H1*    U  24           H1*        U  24  23.263  14.564  15.648
  256    H3     U  24           H3         U  24  24.953  14.388  11.299
  257    H5     U  24           H5         U  24  28.140  13.608  13.945
  258    H6     U  24           H6         U  24  26.514  13.394  15.735
  259   1H5*    A  25          1H5*        A  25  20.426   8.664  15.969
  260   2H5*    A  25          2H5*        A  25  20.723   7.107  15.172
  261    H4*    A  25           H4*        A  25  19.363   8.922  13.912
  262    H3*    A  25           H3*        A  25  21.664   7.405  12.673
  263    H2*    A  25           H2*        A  25  21.166   8.509  10.647
  264   2HO*    A  25          2HO*        A  25  18.829   9.702  11.666
  265    H1*    A  25           H1*        A  25  20.567  10.980  11.776
  266    H8     A  25           H8         A  25  23.639  10.098  13.590
  267   1H6     A  25          1H6         A  25  26.877  11.330   8.469
  268   2H6     A  25          2H6         A  25  26.969  11.031  10.190
  269    H2     A  25           H2         A  25  22.531  11.116   7.343
  270   1H5*    C  26          1H5*        C  26  18.312   5.538  10.217
  271   2H5*    C  26          2H5*        C  26  19.039   3.979   9.792
  272    H4*    C  26           H4*        C  26  18.527   5.711   7.916
  273    H3*    C  26           H3*        C  26  21.132   4.194   8.141
  274    H2*    C  26           H2*        C  26  21.760   5.205   6.097
  275   2HO*    C  26          2HO*        C  26  19.348   4.941   5.398
  276    H1*    C  26           H1*        C  26  20.770   7.717   6.678
  277   1H4     C  26          1H4         C  26  26.999   7.699   8.137
  278   2H4     C  26          2H4         C  26  26.596   7.267   9.784
  279    H5     C  26           H5         C  26  24.352   6.743  10.499
  280    H6     C  26           H6         C  26  22.017   6.506   9.785
  281   1H5*    C  27          1H5*        C  27  19.543   2.705   4.556
  282   2H5*    C  27          2H5*        C  27  19.884   0.986   4.291
  283    H4*    C  27           H4*        C  27  20.892   2.478   2.568
  284    H3*    C  27           H3*        C  27  22.924   0.993   4.307
  285    H2*    C  27           H2*        C  27  24.537   1.777   2.713
  286   2HO*    C  27          2HO*        C  27  23.714   1.625   0.729
  287    H1*    C  27           H1*        C  27  23.461   4.317   2.599
  288   1H4     C  27          1H4         C  27  28.245   4.268   6.864
  289   2H4     C  27          2H4         C  27  27.097   3.891   8.131
  290    H5     C  27           H5         C  27  24.758   3.476   7.710
  291    H6     C  27           H6         C  27  23.032   3.267   5.979
  292   1H5*    U  28          1H5*        U  28  24.164  -1.095   0.540
  293   2H5*    U  28          2H5*        U  28  24.778  -2.613   1.223
  294    H4*    U  28           H4*        U  28  26.409  -0.946   0.004
  295    H3*    U  28           H3*        U  28  27.009  -2.458   2.573
  296    H2*    U  28           H2*        U  28  29.120  -1.402   2.663
  297   2HO*    U  28          2HO*        U  28  29.426  -1.717   0.297
  298    H1*    U  28           H1*        U  28  28.315   1.101   1.904
  299    H3     U  28           H3         U  28  29.383   1.147   6.360
  300    H5     U  28           H5         U  28  25.351  -0.070   6.181
  301    H6     U  28           H6         U  28  25.577  -0.239   3.770
  302   1H5*    U  29          1H5*        U  29  27.999  -6.500   2.835
  303   2H5*    U  29          2H5*        U  29  27.961  -5.387   4.216
  304    H4*    U  29           H4*        U  29  29.799  -5.300   1.813
  305    H3*    U  29           H3*        U  29  30.184  -5.914   4.712
  306    H2*    U  29           H2*        U  29  32.107  -4.588   4.893
  307   2HO*    U  29          2HO*        U  29  32.723  -5.511   2.624
  308    H1*    U  29           H1*        U  29  31.373  -2.487   3.318
  309    H3     U  29           H3         U  29  31.370  -1.800   7.993
  310    H5     U  29           H5         U  29  27.384  -2.072   6.646
  311    H6     U  29           H6         U  29  28.228  -2.886   4.520
  312   1H5*    U  30          1H5*        U  30  31.342 -10.138   5.433
  313   2H5*    U  30          2H5*        U  30  30.991  -9.235   6.921
  314    H4*    U  30           H4*        U  30  33.530  -9.282   5.283
  315    H3*    U  30           H3*        U  30  32.801 -10.013   8.105
  316    H2*    U  30           H2*        U  30  34.723  -9.016   9.010
  317   2HO*    U  30          2HO*        U  30  36.038  -8.320   6.710
  318    H1*    U  30           H1*        U  30  34.877  -6.792   7.447
  319    H3     U  30           H3         U  30  33.376  -6.024  11.814
  320    H5     U  30           H5         U  30  30.006  -6.101   9.282
  321    H6     U  30           H6         U  30  31.433  -6.965   7.519
  322   1H5*    G  31          1H5*        G  31  36.245 -12.709   7.509
  323   2H5*    G  31          2H5*        G  31  35.876 -14.291   8.225
  324    H4*    G  31           H4*        G  31  37.743 -13.046   9.359
  325    H3*    G  31           H3*        G  31  35.289 -13.916  10.878
  326    H2*    G  31           H2*        G  31  36.114 -12.912  12.846
  327   2HO*    G  31          2HO*        G  31  38.511 -13.475  11.708
  328    H1*    G  31           H1*        G  31  37.120 -10.625  11.728
  329    H8     G  31           H8         G  31  33.991 -11.116   9.785
  330    H1     G  31           H1         G  31  32.800  -9.207  15.782
  331   1H2     G  31          1H2         G  31  34.635  -9.396  17.018
  332   2H2     G  31          2H2         G  31  36.149  -9.983  16.370
  333   1H5*    U  32          1H5*        U  32  38.223 -16.074  13.300
  334   2H5*    U  32          2H5*        U  32  37.427 -17.596  13.744
  335    H4*    U  32           H4*        U  32  38.000 -15.854  15.603
  336    H3*    U  32           H3*        U  32  35.349 -17.292  15.354
  337    H2*    U  32           H2*        U  32  34.625 -16.162  17.287
  338   2HO*    U  32          2HO*        U  32  36.854 -14.879  18.096
  339    H1*    U  32           H1*        U  32  35.949 -13.747  16.801
  340    H3     U  32           H3         U  32  31.330 -13.293  16.948
  341    H5     U  32           H5         U  32  32.381 -13.955  12.920
  342    H6     U  32           H6         U  32  34.622 -14.520  13.665
  343   1H5*    G  33          1H5*        G  33  34.884 -20.271  19.233
  344   2H5*    G  33          2H5*        G  33  33.407 -19.724  18.415
  345    H4*    G  33           H4*        G  33  34.615 -18.822  20.997
  346    H3*    G  33           H3*        G  33  31.750 -19.404  20.022
  347    H2*    G  33           H2*        G  33  30.935 -17.831  21.601
  348   2HO*    G  33          2HO*        G  33  32.686 -18.626  23.180
  349    H1*    G  33           H1*        G  33  32.704 -15.870  21.107
  350    H8     G  33           H8         G  33  32.610 -17.237  17.707
  351    H1     G  33           H1         G  33  27.004 -14.537  19.218
  352   1H2     G  33          1H2         G  33  26.901 -14.163  21.405
  353   2H2     G  33          2H2         G  33  28.210 -14.573  22.490
  354   1H5*    C  34          1H5*        C  34  30.517 -19.331  23.876
  355   2H5*    C  34          2H5*        C  34  29.979 -20.995  24.174
  356    H4*    C  34           H4*        C  34  28.197 -19.416  24.726
  357    H3*    C  34           H3*        C  34  27.696 -21.111  22.263
  358    H2*    C  34           H2*        C  34  25.605 -20.087  22.004
  359   2HO*    C  34          2HO*        C  34  25.835 -19.744  24.760
  360    H1*    C  34           H1*        C  34  26.346 -17.550  22.930
  361   1H4     C  34          1H4         C  34  25.888 -17.134  16.588
  362   2H4     C  34          2H4         C  34  27.489 -17.816  16.413
  363    H5     C  34           H5         C  34  28.790 -18.626  18.279
  364    H6     C  34           H6         C  34  28.821 -18.973  20.708
  365   1H5*    G  35          1H5*        G  35  24.496 -23.490  23.699
  366   2H5*    G  35          2H5*        G  35  24.921 -24.923  22.742
  367    H4*    G  35           H4*        G  35  23.032 -23.127  22.007
  368    H3*    G  35           H3*        G  35  24.849 -24.721  20.173
  369    H2*    G  35           H2*        G  35  23.780 -23.683  18.352
  370   2HO*    G  35          2HO*        G  35  21.673 -23.659  18.542
  371    H1*    G  35           H1*        G  35  23.436 -21.190  19.594
  372    H8     G  35           H8         G  35  26.982 -21.978  20.211
  373    H1     G  35           H1         G  35  25.919 -20.663  14.037
  374   1H2     G  35          1H2         G  35  23.744 -20.674  13.622
  375   2H2     G  35          2H2         G  35  22.552 -21.009  14.858
  376   1H5*    C  36          1H5*        C  36  20.358 -26.321  19.114
  377   2H5*    C  36          2H5*        C  36  20.862 -27.935  18.575
  378    H4*    C  36           H4*        C  36  19.414 -26.490  16.985
  379    H3*    C  36           H3*        C  36  21.944 -27.925  16.120
  380    H2*    C  36           H2*        C  36  21.545 -27.145  13.909
  381   2HO*    C  36          2HO*        C  36  19.466 -25.750  13.755
  382    H1*    C  36           H1*        C  36  20.969 -24.581  14.608
  383   1H4     C  36          1H4         C  36  27.318 -24.849  13.851
  384   2H4     C  36          2H4         C  36  27.494 -25.159  15.563
  385    H5     C  36           H5         C  36  25.619 -25.516  17.039
  386    H6     C  36           H6         C  36  23.177 -25.663  17.186
  387   1H5*    C  37          1H5*        C  37  19.359 -30.953  14.123
  388   2H5*    C  37          2H5*        C  37  20.393 -32.397  14.166
  389    H4*    C  37           H4*        C  37  20.090 -31.026  11.932
  390    H3*    C  37           H3*        C  37  22.787 -32.087  12.914
  391    H2*    C  37           H2*        C  37  23.705 -31.241  10.893
  392   2HO*    C  37          2HO*        C  37  21.613 -30.255   9.569
  393    H1*    C  37           H1*        C  37  22.227 -28.898  10.864
  394   1H4     C  37          1H4         C  37  28.111 -28.040  13.401
  395   2H4     C  37          2H4         C  37  27.352 -27.992  14.976
  396    H5     C  37           H5         C  37  24.997 -28.347  15.316
  397    H6     C  37           H6         C  37  22.883 -28.981  14.246
  398   1H5*    C  38          1H5*        C  38  22.274 -32.379   7.988
  399   2H5*    C  38          2H5*        C  38  21.876 -34.079   8.322
  400    H4*    C  38           H4*        C  38  23.341 -33.958   6.389
  401    H3*    C  38           H3*        C  38  24.429 -35.180   8.897
  402    H2*    C  38           H2*        C  38  26.606 -35.291   8.106
  403   2HO*    C  38          2HO*        C  38  26.980 -35.866   6.123
  404    H1*    C  38           H1*        C  38  26.696 -32.987   6.604
  405   1H4     C  38          1H4         C  38  29.276 -31.053  12.070
  406   2H4     C  38          2H4         C  38  27.770 -31.294  12.927
  407    H5     C  38           H5         C  38  25.789 -32.199  11.889
  408    H6     C  38           H6         C  38  24.827 -33.060   9.804
  409    H3T    C  38           H3T        C  38  24.119 -36.968   7.700
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  37.782 -27.274  13.377
    2   2H5*    G   1          2H5*        G   1  39.002 -28.564  13.386
    3    H4*    G   1           H4*        G   1  39.181 -28.221  10.860
    4    H3*    G   1           H3*        G   1  36.817 -26.433  11.416
    5    H2*    G   1           H2*        G   1  35.607 -27.337   9.620
    6   2HO*    G   1          2HO*        G   1  37.228 -29.000   8.373
    7    H1*    G   1           H1*        G   1  36.379 -29.961   9.864
    8    H8     G   1           H8         G   1  35.799 -28.514  13.321
    9    H1     G   1           H1         G   1  30.403 -30.285  10.365
   10   1H2     G   1          1H2         G   1  30.821 -30.765   8.239
   11   2H2     G   1          2H2         G   1  32.421 -30.638   7.545
   12    H5T    G   1           H5T        G   1  39.382 -25.928  12.391
   13   1H5*    G   2          1H5*        G   2  36.754 -26.568   7.459
   14   2H5*    G   2          2H5*        G   2  36.832 -24.926   6.793
   15    H4*    G   2           H4*        G   2  34.894 -26.080   5.896
   16    H3*    G   2           H3*        G   2  34.187 -23.917   7.908
   17    H2*    G   2           H2*        G   2  31.915 -24.378   7.519
   18   2HO*    G   2          2HO*        G   2  32.418 -26.039   5.302
   19    H1*    G   2           H1*        G   2  32.206 -27.137   7.090
   20    H8     G   2           H8         G   2  33.845 -25.528  10.190
   21    H1     G   2           H1         G   2  27.888 -27.682  11.115
   22   1H2     G   2          1H2         G   2  27.024 -28.377   9.193
   23   2H2     G   2          2H2         G   2  27.911 -28.317   7.687
   24   1H5*    G   3          1H5*        G   3  32.217 -22.039   4.030
   25   2H5*    G   3          2H5*        G   3  32.123 -20.355   4.582
   26    H4*    G   3           H4*        G   3  29.933 -21.703   4.041
   27    H3*    G   3           H3*        G   3  30.303 -19.888   6.451
   28    H2*    G   3           H2*        G   3  28.116 -20.419   7.115
   29   2HO*    G   3          2HO*        G   3  26.875 -21.727   5.330
   30    H1*    G   3           H1*        G   3  28.083 -23.065   6.169
   31    H8     G   3           H8         G   3  31.163 -22.303   8.261
   32    H1     G   3           H1         G   3  25.983 -23.732  11.744
   33   1H2     G   3          1H2         G   3  24.190 -23.820  10.440
   34   2H2     G   3          2H2         G   3  24.266 -23.530   8.716
   35   1H5*    C   4          1H5*        C   4  26.554 -19.165   4.952
   36   2H5*    C   4          2H5*        C   4  26.376 -17.462   4.481
   37    H4*    C   4           H4*        C   4  24.450 -18.079   5.775
   38    H3*    C   4           H3*        C   4  26.411 -16.358   7.315
   39    H2*    C   4           H2*        C   4  25.008 -16.465   9.194
   40   2HO*    C   4          2HO*        C   4  22.802 -17.205   8.979
   41    H1*    C   4           H1*        C   4  24.039 -19.064   8.798
   42   1H4     C   4          1H4         C   4  28.303 -19.708  13.468
   43   2H4     C   4          2H4         C   4  29.621 -19.419  12.353
   44    H5     C   4           H5         C   4  29.291 -18.875  10.033
   45    H6     C   4           H6         C   4  27.628 -18.450   8.282
   46   1H5*    U   5          1H5*        U   5  22.527 -14.941   5.721
   47   2H5*    U   5          2H5*        U   5  22.126 -13.219   5.533
   48    H4*    U   5           H4*        U   5  20.565 -13.265   7.278
   49    H3*    U   5           H3*        U   5  22.290 -15.142   8.564
   50    H2*    U   5           H2*        U   5  21.179 -17.093   7.946
   51   2HO*    U   5          2HO*        U   5  20.467 -17.182  10.004
   52    H1*    U   5           H1*        U   5  18.582 -15.599   7.584
   53    H3     U   5           H3         U   5  18.191 -20.267   6.609
   54    H5     U   5           H5         U   5  18.872 -18.057   3.084
   55    H6     U   5           H6         U   5  19.457 -16.153   4.468
   56   1H5*    A   6          1H5*        A   6  17.008 -12.372  10.449
   57   2H5*    A   6          2H5*        A   6  17.646 -11.959  12.051
   58    H4*    A   6           H4*        A   6  15.787 -13.930  11.510
   59    H3*    A   6           H3*        A   6  17.604 -13.542  13.904
   60    H2*    A   6           H2*        A   6  16.952 -15.647  14.725
   61   2HO*    A   6          2HO*        A   6  15.011 -16.430  14.412
   62    H1*    A   6           H1*        A   6  16.851 -16.979  12.310
   63    H8     A   6           H8         A   6  19.977 -15.557  11.536
   64   1H6     A   6          1H6         A   6  22.712 -18.587  16.170
   65   2H6     A   6          2H6         A   6  22.965 -17.700  14.684
   66    H2     A   6           H2         A   6  18.273 -18.715  16.863
   67   1H5*    G   7          1H5*        G   7  17.041 -10.641  16.495
   68   2H5*    G   7          2H5*        G   7  17.509 -12.167  15.718
   69    H4*    G   7           H4*        G   7  16.218 -12.236  18.433
   70    H3*    G   7           H3*        G   7  19.082 -11.408  17.884
   71    H2*    G   7           H2*        G   7  19.785 -12.724  19.722
   72   2HO*    G   7          2HO*        G   7  17.956 -13.774  20.996
   73    H1*    G   7           H1*        G   7  18.165 -14.882  19.232
   74    H8     G   7           H8         G   7  19.181 -13.877  15.807
   75    H1     G   7           H1         G   7  24.032 -16.537  19.031
   76   1H2     G   7          1H2         G   7  23.518 -16.691  21.184
   77   2H2     G   7          2H2         G   7  21.986 -16.144  21.827
   78   1H5*    C   8          1H5*        C   8  19.143 -10.241  22.027
   79   2H5*    C   8          2H5*        C   8  19.960  -8.667  21.975
   80    H4*    C   8           H4*        C   8  21.124 -10.448  23.338
   81    H3*    C   8           H3*        C   8  22.643  -9.197  21.013
   82    H2*    C   8           H2*        C   8  24.534 -10.359  21.854
   83   2HO*    C   8          2HO*        C   8  23.012 -11.019  24.172
   84    H1*    C   8           H1*        C   8  23.149 -12.686  22.471
   85   1H4     C   8          1H4         C   8  25.990 -13.483  16.796
   86   2H4     C   8          2H4         C   8  24.542 -12.893  16.009
   87    H5     C   8           H5         C   8  22.646 -12.022  17.216
   88    H6     C   8           H6         C   8  21.742 -11.500  19.433
   89   1H5*    A   9          1H5*        A   9  25.292  -8.083  24.550
   90   2H5*    A   9          2H5*        A   9  26.145  -6.698  23.847
   91    H4*    A   9           H4*        A   9  27.502  -8.800  24.561
   92    H3*    A   9           H3*        A   9  27.872  -7.682  21.756
   93    H2*    A   9           H2*        A   9  29.869  -9.062  21.783
   94   2HO*    A   9          2HO*        A   9  30.728  -9.833  23.599
   95    H1*    A   9           H1*        A   9  28.436 -11.196  22.760
   96    H8     A   9           H8         A   9  26.063  -9.462  20.451
   97   1H6     A   9          1H6         A   9  29.183 -11.844  15.691
   98   2H6     A   9          2H6         A   9  27.759 -10.951  16.177
   99    H2     A   9           H2         A   9  31.533 -12.675  19.440
  100   1H5*    C  10          1H5*        C  10  31.404  -5.560  23.675
  101   2H5*    C  10          2H5*        C  10  31.929  -4.272  22.574
  102    H4*    C  10           H4*        C  10  33.473  -6.355  23.018
  103    H3*    C  10           H3*        C  10  32.951  -5.199  20.257
  104    H2*    C  10           H2*        C  10  34.652  -6.699  19.484
  105   2HO*    C  10          2HO*        C  10  36.079  -7.638  20.793
  106    H1*    C  10           H1*        C  10  33.614  -8.844  20.807
  107   1H4     C  10          1H4         C  10  30.708  -8.255  15.081
  108   2H4     C  10          2H4         C  10  29.272  -7.764  15.952
  109    H5     C  10           H5         C  10  29.243  -7.356  18.328
  110    H6     C  10           H6         C  10  30.587  -7.322  20.375
  111   1H5*    U  11          1H5*        U  11  35.422  -2.310  18.055
  112   2H5*    U  11          2H5*        U  11  33.959  -3.214  17.629
  113    H4*    U  11           H4*        U  11  36.814  -4.001  16.956
  114    H3*    U  11           H3*        U  11  34.661  -2.599  15.366
  115    H2*    U  11           H2*        U  11  35.176  -3.888  13.455
  116   2HO*    U  11          2HO*        U  11  37.473  -3.634  13.673
  117    H1*    U  11           H1*        U  11  35.550  -6.300  14.672
  118    H3     U  11           H3         U  11  31.534  -5.931  12.317
  119    H5     U  11           H5         U  11  30.699  -5.394  16.413
  120    H6     U  11           H6         U  11  33.087  -5.232  16.810
  121   1H5*    C  12          1H5*        C  12  38.479  -2.109  13.902
  122   2H5*    C  12          2H5*        C  12  39.283  -0.553  13.613
  123    H4*    C  12           H4*        C  12  39.730  -1.858  11.684
  124    H3*    C  12           H3*        C  12  37.488   0.128  11.231
  125    H2*    C  12           H2*        C  12  37.114  -0.696   9.050
  126   2HO*    C  12          2HO*        C  12  39.746  -1.656   9.314
  127    H1*    C  12           H1*        C  12  37.440  -3.361   9.574
  128   1H4     C  12          1H4         C  12  31.174  -2.341  10.052
  129   2H4     C  12          2H4         C  12  31.377  -1.620  11.633
  130    H5     C  12           H5         C  12  33.537  -1.278  12.661
  131    H6     C  12           H6         C  12  35.961  -1.520  12.369
  132   1H5*    U  13          1H5*        U  13  37.963   3.455   8.091
  133   2H5*    U  13          2H5*        U  13  36.457   2.806   8.775
  134    H4*    U  13           H4*        U  13  37.712   2.151   6.096
  135    H3*    U  13           H3*        U  13  35.205   3.600   6.938
  136    H2*    U  13           H2*        U  13  33.991   2.621   5.175
  137   2HO*    U  13          2HO*        U  13  36.183   2.921   3.837
  138    H1*    U  13           H1*        U  13  35.123   0.112   5.245
  139    H3     U  13           H3         U  13  30.731  -0.054   6.659
  140    H5     U  13           H5         U  13  33.058   0.619  10.109
  141    H6     U  13           H6         U  13  34.972   1.004   8.664
  142   1H5*    G  14          1H5*        G  14  36.572   5.096   3.127
  143   2H5*    G  14          2H5*        G  14  36.633   6.845   2.832
  144    H4*    G  14           H4*        G  14  35.292   5.845   1.102
  145    H3*    G  14           H3*        G  14  33.632   7.312   3.181
  146    H2*    G  14           H2*        G  14  31.692   6.797   1.904
  147   2HO*    G  14          2HO*        G  14  32.663   5.384  -0.151
  148    H1*    G  14           H1*        G  14  32.335   4.188   1.435
  149    H8     G  14           H8         G  14  33.650   5.023   4.876
  150    H1     G  14           H1         G  14  27.349   3.888   4.819
  151   1H2     G  14          1H2         G  14  26.612   3.793   2.726
  152   2H2     G  14          2H2         G  14  27.667   4.004   1.347
  153   1H5*    G  15          1H5*        G  15  32.645   9.759  -0.238
  154   2H5*    G  15          2H5*        G  15  31.938  11.267   0.376
  155    H4*    G  15           H4*        G  15  30.406   9.381  -0.653
  156    H3*    G  15           H3*        G  15  29.700  10.857   1.922
  157    H2*    G  15           H2*        G  15  27.600   9.722   1.763
  158   2HO*    G  15          2HO*        G  15  28.452   9.098  -0.882
  159    H1*    G  15           H1*        G  15  28.725   7.295   1.099
  160    H8     G  15           H8         G  15  31.180   8.218   3.586
  161    H1     G  15           H1         G  15  25.447   7.520   6.354
  162   1H2     G  15          1H2         G  15  23.854   7.487   4.804
  163   2H2     G  15          2H2         G  15  24.204   7.634   3.096
  164   1H5*    U  16          1H5*        U  16  27.096  12.718  -0.842
  165   2H5*    U  16          2H5*        U  16  26.712  14.428  -0.561
  166    H4*    U  16           H4*        U  16  24.792  12.869  -0.168
  167    H3*    U  16           H3*        U  16  25.798  14.504   2.194
  168    H2*    U  16           H2*        U  16  23.990  13.628   3.446
  169   2HO*    U  16          2HO*        U  16  22.257  12.524   2.436
  170    H1*    U  16           H1*        U  16  24.113  11.065   2.383
  171    H3     U  16           H3         U  16  25.162  11.277   6.907
  172    H5     U  16           H5         U  16  28.790  11.612   4.787
  173    H6     U  16           H6         U  16  27.498  11.844   2.744
  174   1H5*    A  17          1H5*        A  17  22.151  17.176   1.380
  175   2H5*    A  17          2H5*        A  17  22.597  18.681   2.209
  176    H4*    A  17           H4*        A  17  20.771  17.080   3.235
  177    H3*    A  17           H3*        A  17  22.969  18.427   4.878
  178    H2*    A  17           H2*        A  17  22.008  17.396   6.786
  179   2HO*    A  17          2HO*        A  17  19.797  17.932   6.065
  180    H1*    A  17           H1*        A  17  21.428  14.974   5.593
  181    H8     A  17           H8         A  17  24.836  15.637   4.324
  182   1H6     A  17          1H6         A  17  27.024  14.360   9.970
  183   2H6     A  17          2H6         A  17  27.452  14.650   8.299
  184    H2     A  17           H2         A  17  22.559  14.733  10.261
  185   1H5*    U  18          1H5*        U  18  23.117  22.435   6.081
  186   2H5*    U  18          2H5*        U  18  24.467  21.324   6.374
  187    H4*    U  18           H4*        U  18  21.616  21.073   7.383
  188    H3*    U  18           H3*        U  18  24.237  21.795   8.659
  189    H2*    U  18           H2*        U  18  24.052  20.268  10.389
  190   2HO*    U  18          2HO*        U  18  22.199  19.776  11.309
  191    H1*    U  18           H1*        U  18  22.744  18.212   9.152
  192    H3     U  18           H3         U  18  27.076  17.215  10.395
  193    H5     U  18           H5         U  18  27.107  18.137   6.279
  194    H6     U  18           H6         U  18  24.858  19.028   6.536
  195   1H5*    U  19          1H5*        U  19  25.246  25.500   9.813
  196   2H5*    U  19          2H5*        U  19  25.102  23.890   9.076
  197    H4*    U  19           H4*        U  19  24.508  24.055  11.989
  198    H3*    U  19           H3*        U  19  27.329  24.443  10.905
  199    H2*    U  19           H2*        U  19  28.119  23.115  12.698
  200   2HO*    U  19          2HO*        U  19  26.752  22.554  14.454
  201    H1*    U  19           H1*        U  19  26.057  21.272  12.626
  202    H3     U  19           H3         U  19  30.188  19.524  11.294
  203    H5     U  19           H5         U  19  28.122  20.702   7.816
  204    H6     U  19           H6         U  19  26.500  21.819   9.231
  205   1H5*    A  20          1H5*        A  20  29.384  28.013  14.285
  206   2H5*    A  20          2H5*        A  20  30.498  26.680  13.919
  207    H4*    A  20           H4*        A  20  30.391  27.568  16.352
  208    H3*    A  20           H3*        A  20  30.936  24.931  15.359
  209    H2*    A  20           H2*        A  20  28.996  23.926  16.168
  210   2HO*    A  20          2HO*        A  20  31.001  23.625  17.808
  211    H1*    A  20           H1*        A  20  28.915  25.852  18.500
  212    H8     A  20           H8         A  20  26.786  24.228  15.679
  213   1H6     A  20          1H6         A  20  22.324  24.000  19.923
  214   2H6     A  20          2H6         A  20  22.792  23.564  18.295
  215    H2     A  20           H2         A  20  25.874  26.062  21.768
  216   1H5*    C  21          1H5*        C  21  34.115  21.874  17.990
  217   2H5*    C  21          2H5*        C  21  34.724  22.865  16.654
  218    H4*    C  21           H4*        C  21  32.776  20.596  16.623
  219    H3*    C  21           H3*        C  21  35.082  21.325  14.857
  220    H2*    C  21           H2*        C  21  33.918  20.837  12.947
  221   2HO*    C  21          2HO*        C  21  33.120  18.889  12.656
  222    H1*    C  21           H1*        C  21  31.297  20.536  14.256
  223   1H4     C  21          1H4         C  21  31.375  24.324   8.911
  224   2H4     C  21          2H4         C  21  30.155  25.150   9.855
  225    H5     C  21           H5         C  21  29.683  24.623  12.153
  226    H6     C  21           H6         C  21  30.265  23.174  14.042
  227   1H5*    G  22          1H5*        G  22  34.267  19.565  18.073
  228   2H5*    G  22          2H5*        G  22  35.325  18.396  18.886
  229    H4*    G  22           H4*        G  22  33.737  17.908  20.373
  230    H3*    G  22           H3*        G  22  31.976  17.312  17.968
  231    H2*    G  22           H2*        G  22  30.069  17.606  19.255
  232   2HO*    G  22          2HO*        G  22  31.712  16.554  21.237
  233    H1*    G  22           H1*        G  22  31.157  19.348  21.225
  234    H8     G  22           H8         G  22  29.863  21.583  20.950
  235    H1     G  22           H1         G  22  28.387  20.268  14.862
  236   1H2     G  22          1H2         G  22  29.439  18.439  14.196
  237   2H2     G  22          2H2         G  22  30.507  17.533  15.245
  238   1H5*    G  23          1H5*        G  23  30.895  14.108  20.213
  239   2H5*    G  23          2H5*        G  23  30.196  12.833  19.197
  240    H4*    G  23           H4*        G  23  28.739  14.745  20.449
  241    H3*    G  23           H3*        G  23  28.128  13.310  17.834
  242    H2*    G  23           H2*        G  23  26.219  14.686  17.578
  243   2HO*    G  23          2HO*        G  23  25.297  14.713  19.562
  244    H1*    G  23           H1*        G  23  27.377  17.036  18.327
  245    H8     G  23           H8         G  23  30.150  15.353  16.527
  246    H1     G  23           H1         G  23  25.655  17.491  12.508
  247   1H2     G  23          1H2         G  23  23.821  18.034  13.641
  248   2H2     G  23          2H2         G  23  23.711  17.874  15.379
  249   1H5*    U  24          1H5*        U  24  24.424  11.987  19.518
  250   2H5*    U  24          2H5*        U  24  24.121  10.455  18.679
  251    H4*    U  24           H4*        U  24  22.733  12.607  18.083
  252    H3*    U  24           H3*        U  24  23.894  10.762  15.946
  253    H2*    U  24           H2*        U  24  22.643  12.077  14.403
  254   2HO*    U  24          2HO*        U  24  20.918  13.267  14.958
  255    H1*    U  24           H1*        U  24  23.174  14.498  15.677
  256    H3     U  24           H3         U  24  25.034  14.034  11.414
  257    H5     U  24           H5         U  24  28.019  13.082  14.234
  258    H6     U  24           H6         U  24  26.299  13.064  15.950
  259   1H5*    A  25          1H5*        A  25  19.768   9.395  16.094
  260   2H5*    A  25          2H5*        A  25  19.526   7.723  15.552
  261    H4*    A  25           H4*        A  25  18.735   9.477  13.936
  262    H3*    A  25           H3*        A  25  20.918   7.576  13.013
  263    H2*    A  25           H2*        A  25  20.630   8.523  10.858
  264   2HO*    A  25          2HO*        A  25  18.850   9.849  10.359
  265    H1*    A  25           H1*        A  25  20.288  11.135  11.766
  266    H8     A  25           H8         A  25  23.169   9.902  13.747
  267   1H6     A  25          1H6         A  25  26.700  10.637   8.725
  268   2H6     A  25          2H6         A  25  26.699  10.346  10.451
  269    H2     A  25           H2         A  25  22.402  10.994   7.461
  270   1H5*    C  26          1H5*        C  26  17.497   5.880  10.529
  271   2H5*    C  26          2H5*        C  26  18.070   4.244  10.158
  272    H4*    C  26           H4*        C  26  17.781   5.986   8.235
  273    H3*    C  26           H3*        C  26  20.209   4.197   8.535
  274    H2*    C  26           H2*        C  26  20.950   5.084   6.469
  275   2HO*    C  26          2HO*        C  26  18.351   6.228   6.201
  276    H1*    C  26           H1*        C  26  20.229   7.699   6.994
  277   1H4     C  26          1H4         C  26  26.418   7.052   8.482
  278   2H4     C  26          2H4         C  26  25.967   6.695  10.134
  279    H5     C  26           H5         C  26  23.679   6.425  10.849
  280    H6     C  26           H6         C  26  21.334   6.422  10.128
  281   1H5*    C  27          1H5*        C  27  18.441   2.879   5.039
  282   2H5*    C  27          2H5*        C  27  18.514   1.138   4.713
  283    H4*    C  27           H4*        C  27  19.709   2.466   3.004
  284    H3*    C  27           H3*        C  27  21.568   0.769   4.739
  285    H2*    C  27           H2*        C  27  23.251   1.353   3.133
  286   2HO*    C  27          2HO*        C  27  22.794   2.081   1.144
  287    H1*    C  27           H1*        C  27  22.465   3.999   3.001
  288   1H4     C  27          1H4         C  27  27.263   3.461   7.215
  289   2H4     C  27          2H4         C  27  26.097   3.210   8.495
  290    H5     C  27           H5         C  27  23.722   3.047   8.105
  291    H6     C  27           H6         C  27  21.963   3.016   6.393
  292   1H5*    U  28          1H5*        U  28  23.487  -3.375   3.216
  293   2H5*    U  28          2H5*        U  28  23.483  -2.284   4.613
  294    H4*    U  28           H4*        U  28  25.207  -1.845   2.155
  295    H3*    U  28           H3*        U  28  25.838  -3.361   4.702
  296    H2*    U  28           H2*        U  28  28.015  -2.458   4.658
  297   2HO*    U  28          2HO*        U  28  27.487  -1.594   1.989
  298    H1*    U  28           H1*        U  28  27.327   0.074   3.789
  299    H3     U  28           H3         U  28  28.921   0.230   8.100
  300    H5     U  28           H5         U  28  24.790  -0.546   8.425
  301    H6     U  28           H6         U  28  24.730  -0.876   6.021
  302   1H5*    U  29          1H5*        U  29  29.008  -4.795   0.989
  303   2H5*    U  29          2H5*        U  29  29.192  -6.413   1.695
  304    H4*    U  29           H4*        U  29  31.321  -5.073   1.011
  305    H3*    U  29           H3*        U  29  30.947  -6.611   3.571
  306    H2*    U  29           H2*        U  29  33.035  -5.880   4.374
  307   2HO*    U  29          2HO*        U  29  33.676  -4.750   1.853
  308    H1*    U  29           H1*        U  29  32.919  -3.292   3.481
  309    H3     U  29           H3         U  29  32.480  -3.221   8.041
  310    H5     U  29           H5         U  29  28.589  -3.868   6.552
  311    H6     U  29           H6         U  29  29.558  -4.180   4.345
  312   1H5*    U  30          1H5*        U  30  31.581 -10.610   4.498
  313   2H5*    U  30          2H5*        U  30  31.107  -9.417   5.726
  314    H4*    U  30           H4*        U  30  33.827  -9.753   4.421
  315    H3*    U  30           H3*        U  30  32.755 -10.279   7.190
  316    H2*    U  30           H2*        U  30  34.665  -9.355   8.210
  317   2HO*    U  30          2HO*        U  30  36.125  -8.941   5.882
  318    H1*    U  30           H1*        U  30  35.054  -7.232   6.546
  319    H3     U  30           H3         U  30  33.266  -6.215  10.768
  320    H5     U  30           H5         U  30  30.132  -6.126   7.950
  321    H6     U  30           H6         U  30  31.633  -7.158   6.346
  322   1H5*    G  31          1H5*        G  31  36.219 -12.877   7.178
  323   2H5*    G  31          2H5*        G  31  35.835 -14.469   7.865
  324    H4*    G  31           H4*        G  31  37.590 -13.222   9.137
  325    H3*    G  31           H3*        G  31  34.999 -13.941  10.534
  326    H2*    G  31           H2*        G  31  35.859 -12.988  12.520
  327   2HO*    G  31          2HO*        G  31  37.889 -13.646  12.768
  328    H1*    G  31           H1*        G  31  37.065 -10.803  11.351
  329    H8     G  31           H8         G  31  33.836 -11.088   9.520
  330    H1     G  31           H1         G  31  33.034  -8.870  15.475
  331   1H2     G  31          1H2         G  31  34.891  -9.167  16.655
  332   2H2     G  31          2H2         G  31  36.326  -9.905  15.979
  333   1H5*    U  32          1H5*        U  32  37.649 -16.567  12.814
  334   2H5*    U  32          2H5*        U  32  36.692 -17.968  13.335
  335    H4*    U  32           H4*        U  32  37.485 -16.171  15.085
  336    H3*    U  32           H3*        U  32  34.718 -17.400  15.000
  337    H2*    U  32           H2*        U  32  34.161 -16.107  16.879
  338   2HO*    U  32          2HO*        U  32  36.539 -15.023  17.566
  339    H1*    U  32           H1*        U  32  35.738 -13.868  16.236
  340    H3     U  32           H3         U  32  31.165 -13.004  16.664
  341    H5     U  32           H5         U  32  31.982 -13.639  12.578
  342    H6     U  32           H6         U  32  34.184 -14.442  13.210
  343   1H5*    G  33          1H5*        G  33  33.923 -20.508  18.292
  344   2H5*    G  33          2H5*        G  33  32.394 -19.853  17.677
  345    H4*    G  33           H4*        G  33  34.120 -18.907  19.919
  346    H3*    G  33           H3*        G  33  31.138 -19.157  19.458
  347    H2*    G  33           H2*        G  33  30.752 -17.339  20.912
  348   2HO*    G  33          2HO*        G  33  32.378 -16.510  22.269
  349    H1*    G  33           H1*        G  33  32.723 -15.705  20.025
  350    H8     G  33           H8         G  33  31.993 -17.000  16.749
  351    H1     G  33           H1         G  33  26.839 -13.953  19.015
  352   1H2     G  33          1H2         G  33  27.046 -13.621  21.201
  353   2H2     G  33          2H2         G  33  28.453 -14.145  22.101
  354   1H5*    C  34          1H5*        C  34  30.193 -21.839  23.152
  355   2H5*    C  34          2H5*        C  34  28.929 -22.582  22.152
  356    H4*    C  34           H4*        C  34  28.495 -20.691  24.101
  357    H3*    C  34           H3*        C  34  26.813 -21.362  21.658
  358    H2*    C  34           H2*        C  34  25.353 -19.603  22.259
  359   2HO*    C  34          2HO*        C  34  26.535 -19.921  24.806
  360    H1*    C  34           H1*        C  34  27.317 -17.843  23.110
  361   1H4     C  34          1H4         C  34  25.522 -16.454  17.096
  362   2H4     C  34          2H4         C  34  27.040 -17.139  16.558
  363    H5     C  34           H5         C  34  28.565 -18.288  18.035
  364    H6     C  34           H6         C  34  28.951 -19.042  20.337
  365   1H5*    G  35          1H5*        G  35  22.429 -22.951  22.583
  366   2H5*    G  35          2H5*        G  35  23.288 -24.130  21.572
  367    H4*    G  35           H4*        G  35  21.490 -22.182  20.704
  368    H3*    G  35           H3*        G  35  23.569 -23.701  19.053
  369    H2*    G  35           H2*        G  35  22.825 -22.418  17.217
  370   2HO*    G  35          2HO*        G  35  20.468 -22.546  18.476
  371    H1*    G  35           H1*        G  35  22.424 -20.061  18.671
  372    H8     G  35           H8         G  35  25.748 -20.880  19.839
  373    H1     G  35           H1         G  35  25.877 -19.636  13.562
  374   1H2     G  35          1H2         G  35  23.822 -19.665  12.739
  375   2H2     G  35          2H2         G  35  22.417 -19.993  13.729
  376   1H5*    C  36          1H5*        C  36  19.602 -24.851  17.452
  377   2H5*    C  36          2H5*        C  36  19.554 -26.586  17.083
  378    H4*    C  36           H4*        C  36  18.801 -25.212  15.178
  379    H3*    C  36           H3*        C  36  21.346 -26.824  14.841
  380    H2*    C  36           H2*        C  36  21.469 -26.076  12.588
  381   2HO*    C  36          2HO*        C  36  19.566 -24.559  11.983
  382    H1*    C  36           H1*        C  36  20.939 -23.462  13.111
  383   1H4     C  36          1H4         C  36  27.271 -24.175  13.728
  384   2H4     C  36          2H4         C  36  27.057 -24.419  15.448
  385    H5     C  36           H5         C  36  24.891 -24.588  16.498
  386    H6     C  36           H6         C  36  22.470 -24.573  16.123
  387   1H5*    C  37          1H5*        C  37  19.067 -29.716  12.367
  388   2H5*    C  37          2H5*        C  37  19.970 -31.217  12.657
  389    H4*    C  37           H4*        C  37  20.260 -29.887  10.397
  390    H3*    C  37           H3*        C  37  22.610 -31.068  11.965
  391    H2*    C  37           H2*        C  37  23.989 -30.335  10.171
  392   2HO*    C  37          2HO*        C  37  22.853 -29.402   8.245
  393    H1*    C  37           H1*        C  37  22.690 -27.917   9.794
  394   1H4     C  37          1H4         C  37  27.947 -27.299  13.503
  395   2H4     C  37          2H4         C  37  26.881 -27.188  14.885
  396    H5     C  37           H5         C  37  24.492 -27.422  14.728
  397    H6     C  37           H6         C  37  22.616 -27.970  13.246
  398   1H5*    C  38          1H5*        C  38  23.169 -31.439   7.110
  399   2H5*    C  38          2H5*        C  38  22.590 -33.103   7.342
  400    H4*    C  38           H4*        C  38  24.419 -33.098   5.743
  401    H3*    C  38           H3*        C  38  24.883 -34.365   8.421
  402    H2*    C  38           H2*        C  38  27.162 -34.657   8.082
  403   2HO*    C  38          2HO*        C  38  26.433 -35.232   5.646
  404    H1*    C  38           H1*        C  38  27.723 -32.378   6.647
  405   1H4     C  38          1H4         C  38  29.265 -30.575  12.530
  406   2H4     C  38          2H4         C  38  27.607 -30.723  13.069
  407    H5     C  38           H5         C  38  25.822 -31.510  11.649
  408    H6     C  38           H6         C  38  25.247 -32.318   9.407
  409    H3T    C  38           H3T        C  38  23.900 -35.726   7.103
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  37.280 -27.909  10.413
    2   2H5*    G   1          2H5*        G   1  38.498 -29.087   9.882
    3    H4*    G   1           H4*        G   1  37.873 -28.571   7.508
    4    H3*    G   1           H3*        G   1  35.836 -26.793   8.852
    5    H2*    G   1           H2*        G   1  34.152 -27.503   7.379
    6   2HO*    G   1          2HO*        G   1  35.348 -29.074   5.611
    7    H1*    G   1           H1*        G   1  34.871 -30.152   7.178
    8    H8     G   1           H8         G   1  35.223 -28.993  10.776
    9    H1     G   1           H1         G   1  29.219 -30.518   9.158
   10   1H2     G   1          1H2         G   1  29.076 -30.827   6.966
   11   2H2     G   1          2H2         G   1  30.452 -30.647   5.900
   12    H5T    G   1           H5T        G   1  38.560 -26.506   8.797
   13   1H5*    G   2          1H5*        G   2  34.724 -26.653   5.000
   14   2H5*    G   2          2H5*        G   2  34.667 -24.962   4.469
   15    H4*    G   2           H4*        G   2  32.541 -26.051   4.006
   16    H3*    G   2           H3*        G   2  32.421 -24.019   6.261
   17    H2*    G   2           H2*        G   2  30.117 -24.437   6.446
   18   2HO*    G   2          2HO*        G   2  29.313 -25.939   4.531
   19    H1*    G   2           H1*        G   2  30.214 -27.164   5.771
   20    H8     G   2           H8         G   2  32.612 -25.768   8.455
   21    H1     G   2           H1         G   2  27.054 -28.007  10.709
   22   1H2     G   2          1H2         G   2  25.723 -28.574   9.026
   23   2H2     G   2          2H2         G   2  26.204 -28.410   7.352
   24   1H5*    G   3          1H5*        G   3  29.836 -21.685   3.120
   25   2H5*    G   3          2H5*        G   3  29.903 -20.057   3.824
   26    H4*    G   3           H4*        G   3  27.629 -21.375   3.723
   27    H3*    G   3           H3*        G   3  28.599 -19.768   6.118
   28    H2*    G   3           H2*        G   3  26.636 -20.377   7.246
   29   2HO*    G   3          2HO*        G   3  24.978 -21.531   5.712
   30    H1*    G   3           H1*        G   3  26.336 -22.929   6.102
   31    H8     G   3           H8         G   3  29.838 -22.347   7.452
   32    H1     G   3           H1         G   3  25.619 -24.093  11.941
   33   1H2     G   3          1H2         G   3  23.563 -24.066  11.105
   34   2H2     G   3          2H2         G   3  23.229 -23.625   9.445
   35   1H5*    C   4          1H5*        C   4  25.219 -16.739   5.171
   36   2H5*    C   4          2H5*        C   4  25.682 -15.509   6.367
   37    H4*    C   4           H4*        C   4  23.808 -17.566   6.685
   38    H3*    C   4           H3*        C   4  25.147 -15.752   8.699
   39    H2*    C   4           H2*        C   4  24.292 -17.054  10.435
   40   2HO*    C   4          2HO*        C   4  22.325 -17.935   8.585
   41    H1*    C   4           H1*        C   4  24.166 -19.516   9.007
   42   1H4     C   4          1H4         C   4  28.661 -19.904  13.580
   43   2H4     C   4          2H4         C   4  29.853 -19.617  12.332
   44    H5     C   4           H5         C   4  29.281 -19.047  10.066
   45    H6     C   4           H6         C   4  27.442 -18.586   8.509
   46   1H5*    U   5          1H5*        U   5  21.721 -13.892   6.378
   47   2H5*    U   5          2H5*        U   5  20.813 -12.508   7.024
   48    H4*    U   5           H4*        U   5  18.967 -13.544   6.263
   49    H3*    U   5           H3*        U   5  19.228 -14.537   8.831
   50    H2*    U   5           H2*        U   5  20.286 -16.579   8.250
   51   2HO*    U   5          2HO*        U   5  18.764 -17.847   8.934
   52    H1*    U   5           H1*        U   5  18.544 -16.845   5.800
   53    H3     U   5           H3         U   5  21.406 -20.626   6.503
   54    H5     U   5           H5         U   5  23.127 -17.925   3.762
   55    H6     U   5           H6         U   5  21.465 -16.289   4.431
   56   1H5*    A   6          1H5*        A   6  16.111 -12.040   9.664
   57   2H5*    A   6          2H5*        A   6  17.574 -13.014   9.427
   58    H4*    A   6           H4*        A   6  15.875 -12.702  11.895
   59    H3*    A   6           H3*        A   6  18.526 -11.821  11.182
   60    H2*    A   6           H2*        A   6  19.686 -13.726  11.811
   61   2HO*    A   6          2HO*        A   6  20.493 -13.211  13.676
   62    H1*    A   6           H1*        A   6  17.521 -14.542  13.746
   63    H8     A   6           H8         A   6  19.680 -15.772  10.736
   64   1H6     A   6          1H6         A   6  19.803 -21.163  13.747
   65   2H6     A   6          2H6         A   6  20.359 -20.290  12.337
   66    H2     A   6           H2         A   6  17.243 -18.320  16.103
   67   1H5*    G   7          1H5*        G   7  18.283  -9.714  16.476
   68   2H5*    G   7          2H5*        G   7  18.944 -11.159  15.685
   69    H4*    G   7           H4*        G   7  16.969 -11.204  17.992
   70    H3*    G   7           H3*        G   7  19.981 -11.296  17.982
   71    H2*    G   7           H2*        G   7  19.987 -13.041  19.567
   72   2HO*    G   7          2HO*        G   7  17.354 -13.348  20.100
   73    H1*    G   7           H1*        G   7  17.922 -14.508  18.546
   74    H8     G   7           H8         G   7  19.145 -13.909  15.297
   75    H1     G   7           H1         G   7  23.821 -16.682  18.678
   76   1H2     G   7          1H2         G   7  23.368 -16.555  20.848
   77   2H2     G   7          2H2         G   7  21.916 -15.796  21.460
   78   1H5*    C   8          1H5*        C   8  19.766 -11.139  21.387
   79   2H5*    C   8          2H5*        C   8  19.957  -9.675  22.370
   80    H4*    C   8           H4*        C   8  21.384 -11.079  23.487
   81    H3*    C   8           H3*        C   8  23.070  -9.818  21.300
   82    H2*    C   8           H2*        C   8  24.909 -11.020  22.183
   83   2HO*    C   8          2HO*        C   8  23.290 -11.139  24.471
   84    H1*    C   8           H1*        C   8  23.559 -13.377  22.623
   85   1H4     C   8          1H4         C   8  26.387 -13.729  16.893
   86   2H4     C   8          2H4         C   8  24.904 -13.169  16.152
   87    H5     C   8           H5         C   8  22.981 -12.460  17.421
   88    H6     C   8           H6         C   8  22.080 -12.099  19.671
   89   1H5*    A   9          1H5*        A   9  25.399  -8.194  24.837
   90   2H5*    A   9          2H5*        A   9  26.310  -6.909  24.022
   91    H4*    A   9           H4*        A   9  27.541  -9.037  24.957
   92    H3*    A   9           H3*        A   9  28.112  -7.997  22.138
   93    H2*    A   9           H2*        A   9  30.043  -9.460  22.307
   94   2HO*    A   9          2HO*        A   9  30.567  -9.119  24.525
   95    H1*    A   9           H1*        A   9  28.483 -11.525  23.191
   96    H8     A   9           H8         A   9  26.211  -9.738  20.843
   97   1H6     A   9          1H6         A   9  29.457 -12.048  16.131
   98   2H6     A   9          2H6         A   9  28.022 -11.160  16.593
   99    H2     A   9           H2         A   9  31.701 -12.946  19.929
  100   1H5*    C  10          1H5*        C  10  31.513  -5.888  24.294
  101   2H5*    C  10          2H5*        C  10  32.142  -4.590  23.259
  102    H4*    C  10           H4*        C  10  33.646  -6.657  23.767
  103    H3*    C  10           H3*        C  10  33.237  -5.554  20.961
  104    H2*    C  10           H2*        C  10  34.942  -7.088  20.266
  105   2HO*    C  10          2HO*        C  10  35.280  -7.697  23.036
  106    H1*    C  10           H1*        C  10  33.829  -9.201  21.555
  107   1H4     C  10          1H4         C  10  31.022  -8.524  15.789
  108   2H4     C  10          2H4         C  10  29.580  -8.022  16.643
  109    H5     C  10           H5         C  10  29.519  -7.636  19.021
  110    H6     C  10           H6         C  10  30.833  -7.638  21.089
  111   1H5*    U  11          1H5*        U  11  37.148  -4.694  20.582
  112   2H5*    U  11          2H5*        U  11  37.257  -3.017  20.022
  113    H4*    U  11           H4*        U  11  38.191  -4.738  18.443
  114    H3*    U  11           H3*        U  11  35.936  -2.911  17.508
  115    H2*    U  11           H2*        U  11  36.199  -3.872  15.345
  116   2HO*    U  11          2HO*        U  11  38.493  -5.293  16.219
  117    H1*    U  11           H1*        U  11  36.522  -6.465  16.211
  118    H3     U  11           H3         U  11  32.441  -5.681  14.104
  119    H5     U  11           H5         U  11  31.801  -5.483  18.265
  120    H6     U  11           H6         U  11  34.208  -5.485  18.568
  121   1H5*    C  12          1H5*        C  12  37.095   0.241  14.085
  122   2H5*    C  12          2H5*        C  12  35.894  -1.065  14.051
  123    H4*    C  12           H4*        C  12  38.457  -1.258  12.458
  124    H3*    C  12           H3*        C  12  36.101   0.452  11.795
  125    H2*    C  12           H2*        C  12  35.769  -0.496   9.689
  126   2HO*    C  12          2HO*        C  12  37.955  -2.066   9.386
  127    H1*    C  12           H1*        C  12  36.443  -3.104  10.180
  128   1H4     C  12          1H4         C  12  30.070  -2.116  10.760
  129   2H4     C  12          2H4         C  12  30.262  -2.648  12.414
  130    H5     C  12           H5         C  12  32.416  -3.069  13.425
  131    H6     C  12           H6         C  12  34.844  -3.025  13.072
  132   1H5*    U  13          1H5*        U  13  37.389   3.783   8.397
  133   2H5*    U  13          2H5*        U  13  35.719   3.250   8.687
  134    H4*    U  13           H4*        U  13  37.588   2.395   6.463
  135    H3*    U  13           H3*        U  13  35.016   3.956   6.559
  136    H2*    U  13           H2*        U  13  34.254   2.914   4.593
  137   2HO*    U  13          2HO*        U  13  35.783   1.603   3.326
  138    H1*    U  13           H1*        U  13  35.236   0.382   5.062
  139    H3     U  13           H3         U  13  30.596   0.582   5.260
  140    H5     U  13           H5         U  13  32.024   0.997   9.203
  141    H6     U  13           H6         U  13  34.261   1.262   8.296
  142   1H5*    G  14          1H5*        G  14  37.014   5.805   2.822
  143   2H5*    G  14          2H5*        G  14  36.738   7.549   3.010
  144    H4*    G  14           H4*        G  14  35.838   6.602   0.873
  145    H3*    G  14           H3*        G  14  33.975   7.928   2.858
  146    H2*    G  14           H2*        G  14  32.127   7.500   1.430
  147   2HO*    G  14          2HO*        G  14  33.176   6.231  -0.657
  148    H1*    G  14           H1*        G  14  32.758   4.929   0.836
  149    H8     G  14           H8         G  14  33.973   5.566   4.366
  150    H1     G  14           H1         G  14  27.688   4.391   4.040
  151   1H2     G  14          1H2         G  14  27.020   4.404   1.922
  152   2H2     G  14          2H2         G  14  28.118   4.697   0.591
  153   1H5*    G  15          1H5*        G  15  33.080  10.537  -0.498
  154   2H5*    G  15          2H5*        G  15  32.363  11.990   0.224
  155    H4*    G  15           H4*        G  15  30.854  10.235  -1.037
  156    H3*    G  15           H3*        G  15  30.055  11.484   1.636
  157    H2*    G  15           H2*        G  15  27.951  10.386   1.288
  158   2HO*    G  15          2HO*        G  15  27.267  10.242  -0.698
  159    H1*    G  15           H1*        G  15  29.078   8.009   0.518
  160    H8     G  15           H8         G  15  31.491   8.879   3.112
  161    H1     G  15           H1         G  15  25.740   7.743   5.693
  162   1H2     G  15          1H2         G  15  24.185   7.722   4.105
  163   2H2     G  15          2H2         G  15  24.564   7.985   2.417
  164   1H5*    U  16          1H5*        U  16  27.495  12.753  -0.870
  165   2H5*    U  16          2H5*        U  16  26.912  14.407  -1.149
  166    H4*    U  16           H4*        U  16  25.005  13.127  -0.545
  167    H3*    U  16           H3*        U  16  25.990  14.694   1.884
  168    H2*    U  16           H2*        U  16  24.072  13.875   3.035
  169   2HO*    U  16          2HO*        U  16  23.002  12.547   0.821
  170    H1*    U  16           H1*        U  16  24.227  11.314   2.027
  171    H3     U  16           H3         U  16  25.254  11.336   6.509
  172    H5     U  16           H5         U  16  28.871  12.157   4.504
  173    H6     U  16           H6         U  16  27.605  12.356   2.441
  174   1H5*    A  17          1H5*        A  17  22.163  17.238   1.293
  175   2H5*    A  17          2H5*        A  17  22.609  18.707   2.184
  176    H4*    A  17           H4*        A  17  20.708  17.128   3.092
  177    H3*    A  17           H3*        A  17  22.855  18.400   4.876
  178    H2*    A  17           H2*        A  17  21.811  17.300   6.701
  179   2HO*    A  17          2HO*        A  17  19.631  17.860   5.856
  180    H1*    A  17           H1*        A  17  21.316  14.913   5.445
  181    H8     A  17           H8         A  17  24.726  15.775   4.223
  182   1H6     A  17          1H6         A  17  26.896  14.216   9.806
  183   2H6     A  17          2H6         A  17  27.332  14.636   8.164
  184    H2     A  17           H2         A  17  22.417  14.381  10.053
  185   1H5*    U  18          1H5*        U  18  20.853  22.548   7.604
  186   2H5*    U  18          2H5*        U  18  22.359  21.629   7.426
  187    H4*    U  18           H4*        U  18  20.029  21.042   9.278
  188    H3*    U  18           H3*        U  18  22.898  21.931   9.695
  189    H2*    U  18           H2*        U  18  23.223  20.432  11.447
  190   2HO*    U  18          2HO*        U  18  21.658  19.763  12.755
  191    H1*    U  18           H1*        U  18  21.755  18.314  10.538
  192    H3     U  18           H3         U  18  26.226  17.340  10.614
  193    H5     U  18           H5         U  18  25.348  18.679   6.712
  194    H6     U  18           H6         U  18  23.195  19.450   7.539
  195   1H5*    U  19          1H5*        U  19  24.642  25.118  11.719
  196   2H5*    U  19          2H5*        U  19  25.598  23.901  10.847
  197    H4*    U  19           H4*        U  19  24.125  23.519  13.481
  198    H3*    U  19           H3*        U  19  27.040  23.787  12.776
  199    H2*    U  19           H2*        U  19  27.609  22.178  14.385
  200   2HO*    U  19          2HO*        U  19  26.228  21.581  16.052
  201    H1*    U  19           H1*        U  19  25.457  20.485  14.009
  202    H3     U  19           H3         U  19  29.682  18.847  12.672
  203    H5     U  19           H5         U  19  27.587  20.137   9.249
  204    H6     U  19           H6         U  19  25.962  21.184  10.713
  205   1H5*    A  20          1H5*        A  20  29.469  26.417  16.295
  206   2H5*    A  20          2H5*        A  20  29.754  24.671  16.144
  207    H4*    A  20           H4*        A  20  29.900  26.121  18.485
  208    H3*    A  20           H3*        A  20  30.539  23.529  17.936
  209    H2*    A  20           H2*        A  20  28.289  22.754  17.834
  210   2HO*    A  20          2HO*        A  20  29.066  22.485  20.567
  211    H1*    A  20           H1*        A  20  27.586  24.227  20.367
  212    H8     A  20           H8         A  20  26.330  24.266  16.692
  213   1H6     A  20          1H6         A  20  20.938  22.465  19.066
  214   2H6     A  20          2H6         A  20  21.805  22.882  17.604
  215    H2     A  20           H2         A  20  23.898  22.765  22.443
  216   1H5*    C  21          1H5*        C  21  32.947  20.887  19.949
  217   2H5*    C  21          2H5*        C  21  34.025  21.673  18.785
  218    H4*    C  21           H4*        C  21  32.012  19.593  18.366
  219    H3*    C  21           H3*        C  21  34.398  20.462  16.781
  220    H2*    C  21           H2*        C  21  33.352  20.058  14.786
  221   2HO*    C  21          2HO*        C  21  32.508  18.131  14.347
  222    H1*    C  21           H1*        C  21  30.669  19.636  15.921
  223   1H4     C  21          1H4         C  21  30.946  23.690  10.788
  224   2H4     C  21          2H4         C  21  29.694  24.476  11.723
  225    H5     C  21           H5         C  21  29.132  23.844  13.974
  226    H6     C  21           H6         C  21  29.638  22.306  15.813
  227   1H5*    G  22          1H5*        G  22  33.491  15.839  18.836
  228   2H5*    G  22          2H5*        G  22  32.613  17.350  18.525
  229    H4*    G  22           H4*        G  22  32.820  16.060  21.261
  230    H3*    G  22           H3*        G  22  30.811  15.586  19.073
  231    H2*    G  22           H2*        G  22  29.031  15.929  20.506
  232   2HO*    G  22          2HO*        G  22  28.989  14.898  22.335
  233    H1*    G  22           H1*        G  22  30.339  17.515  22.482
  234    H8     G  22           H8         G  22  28.709  19.491  22.565
  235    H1     G  22           H1         G  22  27.746  19.417  16.238
  236   1H2     G  22          1H2         G  22  28.983  17.846  15.293
  237   2H2     G  22          2H2         G  22  30.049  16.807  16.212
  238   1H5*    G  23          1H5*        G  23  30.623  11.617  18.477
  239   2H5*    G  23          2H5*        G  23  30.198  12.417  16.952
  240    H4*    G  23           H4*        G  23  29.367  13.145  19.767
  241    H3*    G  23           H3*        G  23  27.901  12.234  17.298
  242    H2*    G  23           H2*        G  23  26.155  13.766  17.644
  243   2HO*    G  23          2HO*        G  23  27.198  14.224  20.255
  244    H1*    G  23           H1*        G  23  27.604  15.925  18.418
  245    H8     G  23           H8         G  23  29.927  14.509  15.939
  246    H1     G  23           H1         G  23  24.756  17.002  13.114
  247   1H2     G  23          1H2         G  23  23.167  17.367  14.625
  248   2H2     G  23          2H2         G  23  23.385  16.999  16.322
  249   1H5*    U  24          1H5*        U  24  24.340  11.222  19.163
  250   2H5*    U  24          2H5*        U  24  23.989   9.744  18.249
  251    H4*    U  24           H4*        U  24  22.633  11.938  17.785
  252    H3*    U  24           H3*        U  24  23.766  10.215  15.537
  253    H2*    U  24           H2*        U  24  22.546  11.636  14.074
  254   2HO*    U  24          2HO*        U  24  21.215  12.646  16.389
  255    H1*    U  24           H1*        U  24  23.075  13.973  15.506
  256    H3     U  24           H3         U  24  24.920  13.762  11.210
  257    H5     U  24           H5         U  24  27.919  12.687  13.969
  258    H6     U  24           H6         U  24  26.203  12.554  15.682
  259   1H5*    A  25          1H5*        A  25  19.671   8.283  15.418
  260   2H5*    A  25          2H5*        A  25  19.964   6.749  14.576
  261    H4*    A  25           H4*        A  25  18.877   8.766  13.301
  262    H3*    A  25           H3*        A  25  21.112   7.066  12.170
  263    H2*    A  25           H2*        A  25  20.854   8.282  10.163
  264   2HO*    A  25          2HO*        A  25  18.561   9.638  11.071
  265    H1*    A  25           H1*        A  25  20.364  10.748  11.386
  266    H8     A  25           H8         A  25  23.289   9.612  13.271
  267   1H6     A  25          1H6         A  25  26.814  10.771   8.325
  268   2H6     A  25          2H6         A  25  26.814  10.421  10.039
  269    H2     A  25           H2         A  25  22.515  10.865   7.015
  270   1H5*    C  26          1H5*        C  26  17.767   5.434   9.523
  271   2H5*    C  26          2H5*        C  26  18.436   3.863   9.048
  272    H4*    C  26           H4*        C  26  18.117   5.737   7.256
  273    H3*    C  26           H3*        C  26  20.617   4.045   7.500
  274    H2*    C  26           H2*        C  26  21.380   5.128   5.540
  275   2HO*    C  26          2HO*        C  26  18.754   6.203   5.253
  276    H1*    C  26           H1*        C  26  20.493   7.658   6.228
  277   1H4     C  26          1H4         C  26  26.675   7.241   7.831
  278   2H4     C  26          2H4         C  26  26.204   6.757   9.445
  279    H5     C  26           H5         C  26  23.919   6.317  10.078
  280    H6     C  26           H6         C  26  21.594   6.236   9.295
  281   1H5*    C  27          1H5*        C  27  18.877   2.703   3.909
  282   2H5*    C  27          2H5*        C  27  19.114   0.987   3.534
  283    H4*    C  27           H4*        C  27  20.234   2.489   1.911
  284    H3*    C  27           H3*        C  27  22.169   0.844   3.615
  285    H2*    C  27           H2*        C  27  23.843   1.626   2.085
  286   2HO*    C  27          2HO*        C  27  23.063   1.607   0.081
  287    H1*    C  27           H1*        C  27  22.880   4.214   2.065
  288   1H4     C  27          1H4         C  27  27.575   3.762   6.407
  289   2H4     C  27          2H4         C  27  26.387   3.388   7.636
  290    H5     C  27           H5         C  27  24.039   3.104   7.157
  291    H6     C  27           H6         C  27  22.340   3.047   5.389
  292   1H5*    U  28          1H5*        U  28  23.834  -0.299  -0.292
  293   2H5*    U  28          2H5*        U  28  24.223  -1.994   0.054
  294    H4*    U  28           H4*        U  28  26.155  -0.385  -0.574
  295    H3*    U  28           H3*        U  28  26.221  -2.244   1.839
  296    H2*    U  28           H2*        U  28  28.425  -1.478   2.303
  297   2HO*    U  28          2HO*        U  28  28.331  -0.402  -0.332
  298    H1*    U  28           H1*        U  28  27.941   1.168   1.825
  299    H3     U  28           H3         U  28  28.380   0.595   6.337
  300    H5     U  28           H5         U  28  24.354  -0.329   5.496
  301    H6     U  28           H6         U  28  24.888  -0.199   3.131
  302   1H5*    U  29          1H5*        U  29  28.521  -5.942   2.501
  303   2H5*    U  29          2H5*        U  29  28.425  -4.788   3.845
  304    H4*    U  29           H4*        U  29  30.503  -4.795   1.635
  305    H3*    U  29           H3*        U  29  30.557  -5.803   4.458
  306    H2*    U  29           H2*        U  29  32.596  -4.753   4.947
  307   2HO*    U  29          2HO*        U  29  33.640  -3.680   2.916
  308    H1*    U  29           H1*        U  29  32.232  -2.399   3.631
  309    H3     U  29           H3         U  29  31.840  -2.396   8.354
  310    H5     U  29           H5         U  29  28.023  -1.883   6.638
  311    H6     U  29           H6         U  29  28.975  -2.508   4.494
  312   1H5*    U  30          1H5*        U  30  32.304  -9.448   5.724
  313   2H5*    U  30          2H5*        U  30  31.838  -8.304   6.999
  314    H4*    U  30           H4*        U  30  34.548  -8.472   5.631
  315    H3*    U  30           H3*        U  30  33.549  -9.465   8.289
  316    H2*    U  30           H2*        U  30  35.437  -8.646   9.422
  317   2HO*    U  30          2HO*        U  30  36.663  -8.334   6.866
  318    H1*    U  30           H1*        U  30  35.764  -6.284   8.087
  319    H3     U  30           H3         U  30  34.071  -5.959  12.458
  320    H5     U  30           H5         U  30  30.869  -5.484   9.758
  321    H6     U  30           H6         U  30  32.342  -6.235   7.981
  322   1H5*    G  31          1H5*        G  31  36.794 -12.521   7.688
  323   2H5*    G  31          2H5*        G  31  36.162 -14.032   8.374
  324    H4*    G  31           H4*        G  31  38.081 -12.900   9.636
  325    H3*    G  31           H3*        G  31  35.494 -13.700  10.963
  326    H2*    G  31           H2*        G  31  36.311 -12.878  13.020
  327   2HO*    G  31          2HO*        G  31  38.687 -13.587  11.970
  328    H1*    G  31           H1*        G  31  37.539 -10.618  12.039
  329    H8     G  31           H8         G  31  34.380 -10.730  10.091
  330    H1     G  31           H1         G  31  33.358  -9.059  16.189
  331   1H2     G  31          1H2         G  31  35.168  -9.473  17.405
  332   2H2     G  31          2H2         G  31  36.626 -10.154  16.719
  333   1H5*    U  32          1H5*        U  32  38.194 -16.139  13.289
  334   2H5*    U  32          2H5*        U  32  37.354 -17.651  13.684
  335    H4*    U  32           H4*        U  32  37.958 -16.000  15.603
  336    H3*    U  32           H3*        U  32  35.238 -17.287  15.268
  337    H2*    U  32           H2*        U  32  34.534 -16.182  17.213
  338   2HO*    U  32          2HO*        U  32  36.896 -15.137  18.091
  339    H1*    U  32           H1*        U  32  36.077 -13.855  16.869
  340    H3     U  32           H3         U  32  31.540 -12.943  17.103
  341    H5     U  32           H5         U  32  32.450 -13.589  13.038
  342    H6     U  32           H6         U  32  34.635 -14.392  13.721
  343   1H5*    G  33          1H5*        G  33  34.219 -20.919  17.623
  344   2H5*    G  33          2H5*        G  33  32.785 -20.059  17.031
  345    H4*    G  33           H4*        G  33  34.491 -19.503  19.440
  346    H3*    G  33           H3*        G  33  31.464 -19.732  18.925
  347    H2*    G  33           H2*        G  33  31.076 -18.157  20.651
  348   2HO*    G  33          2HO*        G  33  32.957 -19.210  21.909
  349    H1*    G  33           H1*        G  33  32.967 -16.371  19.960
  350    H8     G  33           H8         G  33  32.225 -17.482  16.561
  351    H1     G  33           H1         G  33  27.185 -14.423  19.060
  352   1H2     G  33          1H2         G  33  27.438 -14.201  21.255
  353   2H2     G  33          2H2         G  33  28.846 -14.800  22.104
  354   1H5*    C  34          1H5*        C  34  30.989 -19.457  22.577
  355   2H5*    C  34          2H5*        C  34  30.605 -21.042  23.275
  356    H4*    C  34           H4*        C  34  28.998 -19.556  24.180
  357    H3*    C  34           H3*        C  34  27.822 -21.204  21.929
  358    H2*    C  34           H2*        C  34  25.825 -20.026  22.085
  359   2HO*    C  34          2HO*        C  34  25.128 -19.060  23.947
  360    H1*    C  34           H1*        C  34  26.827 -17.529  22.841
  361   1H4     C  34          1H4         C  34  25.208 -16.988  16.710
  362   2H4     C  34          2H4         C  34  26.662 -17.830  16.225
  363    H5     C  34           H5         C  34  28.223 -18.786  17.801
  364    H6     C  34           H6         C  34  28.709 -19.152  20.177
  365   1H5*    G  35          1H5*        G  35  23.566 -22.463  23.525
  366   2H5*    G  35          2H5*        G  35  24.320 -23.850  22.714
  367    H4*    G  35           H4*        G  35  22.552 -22.013  21.582
  368    H3*    G  35           H3*        G  35  24.434 -23.878  20.068
  369    H2*    G  35           H2*        G  35  23.548 -22.876  18.117
  370   2HO*    G  35          2HO*        G  35  21.657 -21.614  18.146
  371    H1*    G  35           H1*        G  35  23.370 -20.304  19.214
  372    H8     G  35           H8         G  35  26.769 -21.530  20.090
  373    H1     G  35           H1         G  35  26.267 -20.057  13.881
  374   1H2     G  35          1H2         G  35  24.140 -19.776  13.337
  375   2H2     G  35          2H2         G  35  22.840 -19.952  14.497
  376   1H5*    C  36          1H5*        C  36  20.134 -25.644  18.938
  377   2H5*    C  36          2H5*        C  36  20.590 -27.259  18.365
  378    H4*    C  36           H4*        C  36  19.332 -25.586  16.773
  379    H3*    C  36           H3*        C  36  21.716 -27.287  15.944
  380    H2*    C  36           H2*        C  36  21.388 -26.450  13.735
  381   2HO*    C  36          2HO*        C  36  19.485 -24.872  13.555
  382    H1*    C  36           H1*        C  36  21.062 -23.848  14.503
  383   1H4     C  36          1H4         C  36  27.330 -24.696  13.520
  384   2H4     C  36          2H4         C  36  27.531 -25.055  15.220
  385    H5     C  36           H5         C  36  25.678 -25.263  16.752
  386    H6     C  36           H6         C  36  23.240 -25.184  16.978
  387   1H5*    C  37          1H5*        C  37  18.791 -30.086  14.005
  388   2H5*    C  37          2H5*        C  37  19.707 -31.607  13.951
  389    H4*    C  37           H4*        C  37  19.439 -30.117  11.789
  390    H3*    C  37           H3*        C  37  22.085 -31.421  12.614
  391    H2*    C  37           H2*        C  37  22.974 -30.564  10.582
  392   2HO*    C  37          2HO*        C  37  20.886 -29.364   9.419
  393    H1*    C  37           H1*        C  37  21.688 -28.115  10.726
  394   1H4     C  37          1H4         C  37  27.723 -27.818  13.020
  395   2H4     C  37          2H4         C  37  27.044 -27.819  14.631
  396    H5     C  37           H5         C  37  24.688 -28.033  15.071
  397    H6     C  37           H6         C  37  22.486 -28.451  14.074
  398   1H5*    C  38          1H5*        C  38  21.360 -31.420   7.764
  399   2H5*    C  38          2H5*        C  38  20.837 -33.100   8.010
  400    H4*    C  38           H4*        C  38  22.196 -32.957   6.000
  401    H3*    C  38           H3*        C  38  23.309 -34.432   8.363
  402    H2*    C  38           H2*        C  38  25.422 -34.681   7.432
  403   2HO*    C  38          2HO*        C  38  24.083 -35.061   5.224
  404    H1*    C  38           H1*        C  38  25.634 -32.293   6.084
  405   1H4     C  38          1H4         C  38  28.644 -30.956  11.506
  406   2H4     C  38          2H4         C  38  27.173 -31.150  12.434
  407    H5     C  38           H5         C  38  25.075 -31.828  11.456
  408    H6     C  38           H6         C  38  23.937 -32.458   9.378
  409    H3T    C  38           H3T        C  38  21.705 -35.028   6.516
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  37.207 -27.683  11.413
    2   2H5*    G   1          2H5*        G   1  38.337 -29.027  11.146
    3    H4*    G   1           H4*        G   1  38.122 -28.524   8.648
    4    H3*    G   1           H3*        G   1  35.965 -26.685   9.694
    5    H2*    G   1           H2*        G   1  34.447 -27.419   8.061
    6   2HO*    G   1          2HO*        G   1  35.782 -29.057   6.479
    7    H1*    G   1           H1*        G   1  35.120 -30.081   8.023
    8    H8     G   1           H8         G   1  35.154 -28.811  11.603
    9    H1     G   1           H1         G   1  29.298 -30.268   9.461
   10   1H2     G   1          1H2         G   1  29.359 -30.647   7.276
   11   2H2     G   1          2H2         G   1  30.835 -30.532   6.343
   12    H5T    G   1           H5T        G   1  38.708 -26.296  10.904
   13   1H5*    G   2          1H5*        G   2  35.255 -26.606   5.757
   14   2H5*    G   2          2H5*        G   2  35.286 -24.923   5.196
   15    H4*    G   2           H4*        G   2  33.187 -25.979   4.559
   16    H3*    G   2           H3*        G   2  32.897 -23.903   6.758
   17    H2*    G   2           H2*        G   2  30.577 -24.272   6.723
   18   2HO*    G   2          2HO*        G   2  30.648 -25.824   4.375
   19    H1*    G   2           H1*        G   2  30.686 -27.014   6.114
   20    H8     G   2           H8         G   2  32.854 -25.630   8.992
   21    H1     G   2           H1         G   2  27.034 -27.643  10.740
   22   1H2     G   2          1H2         G   2  25.851 -28.201   8.948
   23   2H2     G   2          2H2         G   2  26.494 -28.085   7.325
   24   1H5*    G   3          1H5*        G   3  30.435 -21.755   3.354
   25   2H5*    G   3          2H5*        G   3  30.501 -20.097   3.980
   26    H4*    G   3           H4*        G   3  28.199 -21.349   3.760
   27    H3*    G   3           H3*        G   3  29.026 -19.650   6.143
   28    H2*    G   3           H2*        G   3  26.966 -20.150   7.140
   29   2HO*    G   3          2HO*        G   3  25.395 -21.327   5.531
   30    H1*    G   3           H1*        G   3  26.668 -22.744   6.089
   31    H8     G   3           H8         G   3  30.065 -22.213   7.702
   32    H1     G   3           H1         G   3  25.427 -23.599  11.895
   33   1H2     G   3          1H2         G   3  23.449 -23.544  10.889
   34   2H2     G   3          2H2         G   3  23.271 -23.170   9.188
   35   1H5*    C   4          1H5*        C   4  26.932 -15.047   6.425
   36   2H5*    C   4          2H5*        C   4  28.014 -16.332   7.002
   37    H4*    C   4           H4*        C   4  25.047 -16.788   6.648
   38    H3*    C   4           H3*        C   4  26.455 -15.513   8.993
   39    H2*    C   4           H2*        C   4  25.186 -16.797  10.480
   40   2HO*    C   4          2HO*        C   4  23.137 -16.749  10.110
   41    H1*    C   4           H1*        C   4  24.860 -19.073   8.843
   42   1H4     C   4          1H4         C   4  29.006 -20.403  13.568
   43   2H4     C   4          2H4         C   4  30.292 -20.202  12.398
   44    H5     C   4           H5         C   4  29.927 -19.404  10.159
   45    H6     C   4           H6         C   4  28.257 -18.583   8.561
   46   1H5*    U   5          1H5*        U   5  23.810 -12.342   4.673
   47   2H5*    U   5          2H5*        U   5  23.526 -11.789   6.338
   48    H4*    U   5           H4*        U   5  21.460 -12.664   5.362
   49    H3*    U   5           H3*        U   5  22.386 -13.534   7.857
   50    H2*    U   5           H2*        U   5  23.060 -15.694   7.190
   51   2HO*    U   5          2HO*        U   5  21.601 -16.925   8.091
   52    H1*    U   5           H1*        U   5  20.796 -15.842   5.196
   53    H3     U   5           H3         U   5  23.325 -19.904   5.447
   54    H5     U   5           H5         U   5  24.685 -17.483   2.276
   55    H6     U   5           H6         U   5  23.392 -15.652   3.204
   56   1H5*    A   6          1H5*        A   6  17.643 -13.577   8.546
   57   2H5*    A   6          2H5*        A   6  17.193 -11.864   8.635
   58    H4*    A   6           H4*        A   6  16.375 -12.650  10.649
   59    H3*    A   6           H3*        A   6  18.618 -11.012  10.955
   60    H2*    A   6           H2*        A   6  20.172 -12.686  11.504
   61   2HO*    A   6          2HO*        A   6  20.514 -12.179  13.510
   62    H1*    A   6           H1*        A   6  18.099 -14.292  12.987
   63    H8     A   6           H8         A   6  20.703 -14.635  10.089
   64   1H6     A   6          1H6         A   6  22.357 -19.846  12.961
   65   2H6     A   6          2H6         A   6  22.663 -18.798  11.595
   66    H2     A   6           H2         A   6  18.999 -17.985  15.297
   67   1H5*    G   7          1H5*        G   7  19.034  -9.538  15.688
   68   2H5*    G   7          2H5*        G   7  19.212 -11.037  14.755
   69    H4*    G   7           H4*        G   7  17.322 -10.959  17.096
   70    H3*    G   7           H3*        G   7  20.331 -11.030  17.292
   71    H2*    G   7           H2*        G   7  20.219 -12.773  18.877
   72   2HO*    G   7          2HO*        G   7  18.664 -12.767  20.290
   73    H1*    G   7           H1*        G   7  18.239 -14.240  17.694
   74    H8     G   7           H8         G   7  19.745 -13.612  14.559
   75    H1     G   7           H1         G   7  24.074 -16.480  18.306
   76   1H2     G   7          1H2         G   7  23.429 -16.376  20.427
   77   2H2     G   7          2H2         G   7  21.937 -15.610  20.920
   78   1H5*    C   8          1H5*        C   8  19.847 -10.742  20.741
   79   2H5*    C   8          2H5*        C   8  20.093  -9.259  21.682
   80    H4*    C   8           H4*        C   8  21.404 -10.736  22.865
   81    H3*    C   8           H3*        C   8  23.229  -9.556  20.747
   82    H2*    C   8           H2*        C   8  24.978 -10.805  21.747
   83   2HO*    C   8          2HO*        C   8  23.835 -12.047  23.798
   84    H1*    C   8           H1*        C   8  23.501 -13.100  22.163
   85   1H4     C   8          1H4         C   8  26.701 -13.750  16.660
   86   2H4     C   8          2H4         C   8  25.310 -13.125  15.802
   87    H5     C   8           H5         C   8  23.344 -12.279  16.912
   88    H6     C   8           H6         C   8  22.305 -11.815  19.082
   89   1H5*    A   9          1H5*        A   9  25.498  -8.162  24.440
   90   2H5*    A   9          2H5*        A   9  26.467  -6.876  23.700
   91    H4*    A   9           H4*        A   9  27.630  -9.023  24.659
   92    H3*    A   9           H3*        A   9  28.325  -7.978  21.876
   93    H2*    A   9           H2*        A   9  30.232  -9.463  22.107
   94   2HO*    A   9          2HO*        A   9  29.655  -9.200  24.787
   95    H1*    A   9           H1*        A   9  28.616 -11.514  22.933
   96    H8     A   9           H8         A   9  26.482  -9.683  20.483
   97   1H6     A   9          1H6         A   9  29.874 -12.091  15.925
   98   2H6     A   9          2H6         A   9  28.442 -11.165  16.321
   99    H2     A   9           H2         A   9  31.925 -13.030  19.820
  100   1H5*    C  10          1H5*        C  10  31.673  -5.944  24.173
  101   2H5*    C  10          2H5*        C  10  32.363  -4.650  23.172
  102    H4*    C  10           H4*        C  10  33.811  -6.747  23.730
  103    H3*    C  10           H3*        C  10  33.537  -5.602  20.927
  104    H2*    C  10           H2*        C  10  35.236  -7.155  20.272
  105   2HO*    C  10          2HO*        C  10  35.464  -7.810  23.043
  106    H1*    C  10           H1*        C  10  34.044  -9.270  21.490
  107   1H4     C  10          1H4         C  10  31.463  -8.477  15.635
  108   2H4     C  10          2H4         C  10  30.001  -7.951  16.439
  109    H5     C  10           H5         C  10  29.861  -7.586  18.818
  110    H6     C  10           H6         C  10  31.097  -7.636  20.933
  111   1H5*    U  11          1H5*        U  11  36.243  -2.304  19.107
  112   2H5*    U  11          2H5*        U  11  34.790  -3.258  18.759
  113    H4*    U  11           H4*        U  11  37.629  -4.019  17.995
  114    H3*    U  11           H3*        U  11  35.459  -2.572  16.472
  115    H2*    U  11           H2*        U  11  35.885  -3.856  14.543
  116   2HO*    U  11          2HO*        U  11  38.229  -3.607  14.802
  117    H1*    U  11           H1*        U  11  36.282  -6.286  15.723
  118    H3     U  11           H3         U  11  32.200  -5.809  13.481
  119    H5     U  11           H5         U  11  31.492  -5.426  17.619
  120    H6     U  11           H6         U  11  33.892  -5.284  17.948
  121   1H5*    C  12          1H5*        C  12  39.450  -2.887  13.508
  122   2H5*    C  12          2H5*        C  12  39.378  -1.134  13.235
  123    H4*    C  12           H4*        C  12  39.493  -2.651  11.160
  124    H3*    C  12           H3*        C  12  37.359  -0.516  11.505
  125    H2*    C  12           H2*        C  12  36.445  -1.105   9.401
  126   2HO*    C  12          2HO*        C  12  38.719  -2.740   8.897
  127    H1*    C  12           H1*        C  12  36.747  -3.829   9.645
  128   1H4     C  12          1H4         C  12  30.752  -2.660  11.440
  129   2H4     C  12          2H4         C  12  31.296  -2.031  12.978
  130    H5     C  12           H5         C  12  33.631  -1.811  13.564
  131    H6     C  12           H6         C  12  35.937  -2.110  12.778
  132   1H5*    U  13          1H5*        U  13  37.624   2.928   7.986
  133   2H5*    U  13          2H5*        U  13  36.138   2.160   8.585
  134    H4*    U  13           H4*        U  13  37.531   1.578   5.951
  135    H3*    U  13           H3*        U  13  35.057   3.156   6.647
  136    H2*    U  13           H2*        U  13  33.935   2.283   4.773
  137   2HO*    U  13          2HO*        U  13  36.131   2.572   3.552
  138    H1*    U  13           H1*        U  13  34.959  -0.283   4.859
  139    H3     U  13           H3         U  13  30.442  -0.313   5.808
  140    H5     U  13           H5         U  13  32.421   0.183   9.497
  141    H6     U  13           H6         U  13  34.486   0.530   8.267
  142   1H5*    G  14          1H5*        G  14  36.903   5.585   3.112
  143   2H5*    G  14          2H5*        G  14  36.516   7.296   3.390
  144    H4*    G  14           H4*        G  14  35.487   6.214   1.319
  145    H3*    G  14           H3*        G  14  33.763   7.591   3.405
  146    H2*    G  14           H2*        G  14  31.870   7.170   2.025
  147   2HO*    G  14          2HO*        G  14  32.876   5.855  -0.062
  148    H1*    G  14           H1*        G  14  32.514   4.581   1.444
  149    H8     G  14           H8         G  14  33.668   5.221   4.983
  150    H1     G  14           H1         G  14  27.369   4.152   4.565
  151   1H2     G  14          1H2         G  14  26.732   4.175   2.437
  152   2H2     G  14          2H2         G  14  27.854   4.448   1.123
  153   1H5*    G  15          1H5*        G  15  32.927  10.197  -0.019
  154   2H5*    G  15          2H5*        G  15  32.228  11.692   0.635
  155    H4*    G  15           H4*        G  15  30.714   9.949  -0.634
  156    H3*    G  15           H3*        G  15  29.878  11.300   1.970
  157    H2*    G  15           H2*        G  15  27.751  10.259   1.613
  158   2HO*    G  15          2HO*        G  15  27.105  10.082  -0.384
  159    H1*    G  15           H1*        G  15  28.812   7.821   0.940
  160    H8     G  15           H8         G  15  31.199   8.672   3.557
  161    H1     G  15           H1         G  15  25.356   7.860   6.049
  162   1H2     G  15          1H2         G  15  23.833   7.856   4.429
  163   2H2     G  15          2H2         G  15  24.256   8.050   2.743
  164   1H5*    U  16          1H5*        U  16  27.476  12.702  -0.718
  165   2H5*    U  16          2H5*        U  16  26.964  14.382  -0.977
  166    H4*    U  16           H4*        U  16  25.013  13.113  -0.407
  167    H3*    U  16           H3*        U  16  25.983  14.739   1.987
  168    H2*    U  16           H2*        U  16  24.032  14.000   3.127
  169   2HO*    U  16          2HO*        U  16  22.855  12.547   1.130
  170    H1*    U  16           H1*        U  16  24.127  11.408   2.167
  171    H3     U  16           H3         U  16  24.979  11.531   6.694
  172    H5     U  16           H5         U  16  28.701  12.104   4.798
  173    H6     U  16           H6         U  16  27.519  12.304   2.686
  174   1H5*    A  17          1H5*        A  17  22.361  17.355   1.209
  175   2H5*    A  17          2H5*        A  17  22.773  18.867   2.042
  176    H4*    A  17           H4*        A  17  20.929  17.252   3.020
  177    H3*    A  17           H3*        A  17  23.069  18.598   4.753
  178    H2*    A  17           H2*        A  17  21.987  17.585   6.614
  179   2HO*    A  17          2HO*        A  17  19.923  16.880   6.578
  180    H1*    A  17           H1*        A  17  21.463  15.168   5.374
  181    H8     A  17           H8         A  17  24.960  15.872   4.352
  182   1H6     A  17          1H6         A  17  26.740  14.427  10.101
  183   2H6     A  17          2H6         A  17  27.287  14.771   8.476
  184    H2     A  17           H2         A  17  22.265  14.772  10.078
  185   1H5*    U  18          1H5*        U  18  21.802  23.190   6.872
  186   2H5*    U  18          2H5*        U  18  23.006  21.939   6.509
  187    H4*    U  18           H4*        U  18  20.649  21.585   8.397
  188    H3*    U  18           H3*        U  18  23.539  22.361   8.911
  189    H2*    U  18           H2*        U  18  23.721  20.837  10.664
  190   2HO*    U  18          2HO*        U  18  22.092  20.283  11.923
  191    H1*    U  18           H1*        U  18  22.164  18.810   9.661
  192    H3     U  18           H3         U  18  26.581  17.612  10.052
  193    H5     U  18           H5         U  18  25.987  18.867   6.068
  194    H6     U  18           H6         U  18  23.840  19.779   6.753
  195   1H5*    U  19          1H5*        U  19  25.586  24.323  11.076
  196   2H5*    U  19          2H5*        U  19  25.176  22.689  10.518
  197    H4*    U  19           H4*        U  19  25.244  22.967  13.453
  198    H3*    U  19           H3*        U  19  27.771  23.468  11.832
  199    H2*    U  19           H2*        U  19  28.982  22.185  13.417
  200   2HO*    U  19          2HO*        U  19  27.867  21.455  15.371
  201    H1*    U  19           H1*        U  19  27.100  20.208  13.713
  202    H3     U  19           H3         U  19  30.752  18.581  11.384
  203    H5     U  19           H5         U  19  28.140  20.202   8.502
  204    H6     U  19           H6         U  19  26.825  21.141  10.310
  205   1H5*    A  20          1H5*        A  20  30.347  26.800  15.281
  206   2H5*    A  20          2H5*        A  20  31.362  25.442  14.755
  207    H4*    A  20           H4*        A  20  31.467  26.211  17.240
  208    H3*    A  20           H3*        A  20  31.954  23.657  16.100
  209    H2*    A  20           H2*        A  20  30.054  22.605  16.955
  210   2HO*    A  20          2HO*        A  20  30.945  22.502  19.520
  211    H1*    A  20           H1*        A  20  30.093  24.386  19.398
  212    H8     A  20           H8         A  20  27.829  22.935  16.589
  213   1H6     A  20          1H6         A  20  23.577  22.436  21.018
  214   2H6     A  20          2H6         A  20  23.965  22.101  19.346
  215    H2     A  20           H2         A  20  27.211  24.392  22.813
  216   1H5*    C  21          1H5*        C  21  35.333  20.559  18.139
  217   2H5*    C  21          2H5*        C  21  35.753  21.669  16.824
  218    H4*    C  21           H4*        C  21  33.804  19.385  16.847
  219    H3*    C  21           H3*        C  21  36.000  20.147  14.950
  220    H2*    C  21           H2*        C  21  34.685  19.772  13.116
  221   2HO*    C  21          2HO*        C  21  33.766  17.868  12.809
  222    H1*    C  21           H1*        C  21  32.158  19.473  14.594
  223   1H4     C  21          1H4         C  21  31.963  23.508   9.435
  224   2H4     C  21          2H4         C  21  30.838  24.318  10.502
  225    H5     C  21           H5         C  21  30.517  23.697  12.802
  226    H6     C  21           H6         C  21  31.189  22.147  14.576
  227   1H5*    G  22          1H5*        G  22  35.422  15.493  17.232
  228   2H5*    G  22          2H5*        G  22  34.499  16.981  16.950
  229    H4*    G  22           H4*        G  22  35.100  15.811  19.686
  230    H3*    G  22           H3*        G  22  32.732  15.473  17.850
  231    H2*    G  22           H2*        G  22  31.234  15.881  19.577
  232   2HO*    G  22          2HO*        G  22  31.482  14.877  21.401
  233    H1*    G  22           H1*        G  22  32.916  17.465  21.229
  234    H8     G  22           H8         G  22  31.423  19.536  21.457
  235    H1     G  22           H1         G  22  29.513  19.267  15.353
  236   1H2     G  22          1H2         G  22  30.510  17.590  14.312
  237   2H2     G  22          2H2         G  22  31.646  16.528  15.112
  238   1H5*    G  23          1H5*        G  23  29.705  12.221  18.478
  239   2H5*    G  23          2H5*        G  23  30.141  13.484  17.312
  240    H4*    G  23           H4*        G  23  28.663  14.109  19.876
  241    H3*    G  23           H3*        G  23  27.521  13.105  17.270
  242    H2*    G  23           H2*        G  23  25.803  14.712  17.372
  243   2HO*    G  23          2HO*        G  23  26.581  15.229  20.064
  244    H1*    G  23           H1*        G  23  27.297  16.820  18.277
  245    H8     G  23           H8         G  23  29.711  15.346  15.953
  246    H1     G  23           H1         G  23  24.795  17.942  12.787
  247   1H2     G  23          1H2         G  23  23.115  18.339  14.188
  248   2H2     G  23          2H2         G  23  23.209  17.967  15.894
  249   1H5*    U  24          1H5*        U  24  23.938  11.572  19.190
  250   2H5*    U  24          2H5*        U  24  23.674  10.138  18.183
  251    H4*    U  24           H4*        U  24  22.125  12.223  17.911
  252    H3*    U  24           H3*        U  24  23.247  10.649  15.547
  253    H2*    U  24           H2*        U  24  21.996  12.117  14.176
  254   2HO*    U  24          2HO*        U  24  20.198  12.021  15.919
  255    H1*    U  24           H1*        U  24  22.552  14.436  15.539
  256    H3     U  24           H3         U  24  24.654  14.068  11.393
  257    H5     U  24           H5         U  24  27.445  12.930  14.339
  258    H6     U  24           H6         U  24  25.632  12.906  15.954
  259   1H5*    A  25          1H5*        A  25  19.141   8.990  15.505
  260   2H5*    A  25          2H5*        A  25  19.258   7.402  14.723
  261    H4*    A  25           H4*        A  25  18.277   9.367  13.366
  262    H3*    A  25           H3*        A  25  20.487   7.591  12.309
  263    H2*    A  25           H2*        A  25  20.289   8.748  10.259
  264   2HO*    A  25          2HO*        A  25  18.518  10.065   9.778
  265    H1*    A  25           H1*        A  25  19.883  11.267  11.374
  266    H8     A  25           H8         A  25  22.683  10.019  13.403
  267   1H6     A  25          1H6         A  25  26.431  10.933   8.572
  268   2H6     A  25          2H6         A  25  26.354  10.605  10.287
  269    H2     A  25           H2         A  25  22.190  11.232   7.112
  270   1H5*    C  26          1H5*        C  26  17.184   5.985   9.734
  271   2H5*    C  26          2H5*        C  26  17.748   4.364   9.292
  272    H4*    C  26           H4*        C  26  17.625   6.229   7.473
  273    H3*    C  26           H3*        C  26  20.027   4.411   7.833
  274    H2*    C  26           H2*        C  26  20.900   5.413   5.875
  275   2HO*    C  26          2HO*        C  26  19.298   5.529   4.436
  276    H1*    C  26           H1*        C  26  20.096   7.995   6.494
  277   1H4     C  26          1H4         C  26  26.233   7.355   8.204
  278   2H4     C  26          2H4         C  26  25.715   6.946   9.825
  279    H5     C  26           H5         C  26  23.402   6.632  10.431
  280    H6     C  26           H6         C  26  21.090   6.625   9.609
  281   1H5*    C  27          1H5*        C  27  18.451   3.282   4.237
  282   2H5*    C  27          2H5*        C  27  18.477   1.570   3.782
  283    H4*    C  27           H4*        C  27  19.840   2.919   2.251
  284    H3*    C  27           H3*        C  27  21.565   1.149   4.056
  285    H2*    C  27           H2*        C  27  23.354   1.775   2.583
  286   2HO*    C  27          2HO*        C  27  21.620   1.745   0.715
  287    H1*    C  27           H1*        C  27  22.571   4.427   2.486
  288   1H4     C  27          1H4         C  27  27.125   3.755   6.945
  289   2H4     C  27          2H4         C  27  25.888   3.463   8.149
  290    H5     C  27           H5         C  27  23.540   3.309   7.619
  291    H6     C  27           H6         C  27  21.881   3.332   5.811
  292   1H5*    U  28          1H5*        U  28  23.307  -3.022   1.278
  293   2H5*    U  28          2H5*        U  28  23.489  -2.623   2.996
  294    H4*    U  28           H4*        U  28  25.242  -1.766   0.680
  295    H3*    U  28           H3*        U  28  25.672  -3.439   3.171
  296    H2*    U  28           H2*        U  28  27.894  -2.643   3.305
  297   2HO*    U  28          2HO*        U  28  28.932  -1.642   1.592
  298    H1*    U  28           H1*        U  28  27.377  -0.033   2.639
  299    H3     U  28           H3         U  28  28.484  -0.253   7.078
  300    H5     U  28           H5         U  28  24.347  -1.040   6.913
  301    H6     U  28           H6         U  28  24.530  -1.145   4.494
  302   1H5*    U  29          1H5*        U  29  27.669  -6.642   4.000
  303   2H5*    U  29          2H5*        U  29  27.400  -4.915   3.693
  304    H4*    U  29           H4*        U  29  29.698  -5.645   2.206
  305    H3*    U  29           H3*        U  29  29.752  -6.895   4.952
  306    H2*    U  29           H2*        U  29  31.942  -6.084   5.273
  307   2HO*    U  29          2HO*        U  29  32.956  -4.989   3.332
  308    H1*    U  29           H1*        U  29  31.608  -3.608   4.154
  309    H3     U  29           H3         U  29  32.003  -3.354   8.763
  310    H5     U  29           H5         U  29  27.879  -3.572   7.916
  311    H6     U  29           H6         U  29  28.448  -4.112   5.616
  312   1H5*    U  30          1H5*        U  30  32.565 -10.511   5.637
  313   2H5*    U  30          2H5*        U  30  32.142  -9.148   6.694
  314    H4*    U  30           H4*        U  30  34.822  -9.565   5.317
  315    H3*    U  30           H3*        U  30  33.867 -10.220   8.091
  316    H2*    U  30           H2*        U  30  35.745  -9.245   9.109
  317   2HO*    U  30          2HO*        U  30  36.925  -9.535   6.548
  318    H1*    U  30           H1*        U  30  36.058  -7.066   7.497
  319    H3     U  30           H3         U  30  34.277  -6.332  11.808
  320    H5     U  30           H5         U  30  31.174  -6.000   8.974
  321    H6     U  30           H6         U  30  32.673  -6.951   7.319
  322   1H5*    G  31          1H5*        G  31  37.283 -12.867   7.876
  323   2H5*    G  31          2H5*        G  31  36.869 -14.492   8.456
  324    H4*    G  31           H4*        G  31  38.573 -13.352   9.871
  325    H3*    G  31           H3*        G  31  35.908 -14.082  11.098
  326    H2*    G  31           H2*        G  31  36.660 -13.231  13.168
  327   2HO*    G  31          2HO*        G  31  39.146 -12.459  12.813
  328    H1*    G  31           H1*        G  31  37.974 -11.020  12.177
  329    H8     G  31           H8         G  31  34.860 -11.140  10.146
  330    H1     G  31           H1         G  31  33.732  -9.215  16.150
  331   1H2     G  31          1H2         G  31  35.505  -9.615  17.423
  332   2H2     G  31          2H2         G  31  36.965 -10.349  16.798
  333   1H5*    U  32          1H5*        U  32  38.464 -16.643  13.446
  334   2H5*    U  32          2H5*        U  32  37.582 -18.125  13.866
  335    H4*    U  32           H4*        U  32  38.184 -16.440  15.752
  336    H3*    U  32           H3*        U  32  35.437 -17.657  15.383
  337    H2*    U  32           H2*        U  32  34.718 -16.482  17.284
  338   2HO*    U  32          2HO*        U  32  36.614 -17.189  18.510
  339    H1*    U  32           H1*        U  32  36.329 -14.207  16.914
  340    H3     U  32           H3         U  32  31.789 -13.230  17.005
  341    H5     U  32           H5         U  32  32.833 -13.905  12.977
  342    H6     U  32           H6         U  32  34.980 -14.743  13.741
  343   1H5*    G  33          1H5*        G  33  34.287 -21.113  18.052
  344   2H5*    G  33          2H5*        G  33  32.861 -20.299  17.382
  345    H4*    G  33           H4*        G  33  34.422 -19.695  19.866
  346    H3*    G  33           H3*        G  33  31.417 -19.842  19.152
  347    H2*    G  33           H2*        G  33  30.978 -18.230  20.836
  348   2HO*    G  33          2HO*        G  33  32.747 -19.319  22.217
  349    H1*    G  33           H1*        G  33  32.949 -16.513  20.224
  350    H8     G  33           H8         G  33  32.418 -17.665  16.806
  351    H1     G  33           H1         G  33  27.272 -14.486  18.901
  352   1H2     G  33          1H2         G  33  27.376 -14.232  21.105
  353   2H2     G  33          2H2         G  33  28.710 -14.840  22.059
  354   1H5*    C  34          1H5*        C  34  30.731 -19.632  22.679
  355   2H5*    C  34          2H5*        C  34  30.264 -21.178  23.415
  356    H4*    C  34           H4*        C  34  28.656 -19.643  24.199
  357    H3*    C  34           H3*        C  34  27.561 -21.270  21.894
  358    H2*    C  34           H2*        C  34  25.609 -20.012  21.891
  359   2HO*    C  34          2HO*        C  34  24.796 -19.041  23.686
  360    H1*    C  34           H1*        C  34  26.644 -17.545  22.688
  361   1H4     C  34          1H4         C  34  25.501 -17.046  16.447
  362   2H4     C  34          2H4         C  34  26.963 -17.933  16.083
  363    H5     C  34           H5         C  34  28.375 -18.908  17.784
  364    H6     C  34           H6         C  34  28.669 -19.255  20.194
  365   1H5*    G  35          1H5*        G  35  23.149 -22.305  23.234
  366   2H5*    G  35          2H5*        G  35  23.899 -23.738  22.505
  367    H4*    G  35           H4*        G  35  22.281 -21.866  21.219
  368    H3*    G  35           H3*        G  35  24.194 -23.835  19.891
  369    H2*    G  35           H2*        G  35  23.509 -22.853  17.855
  370   2HO*    G  35          2HO*        G  35  21.680 -21.397  17.802
  371    H1*    G  35           H1*        G  35  23.326 -20.245  18.872
  372    H8     G  35           H8         G  35  26.607 -21.590  20.019
  373    H1     G  35           H1         G  35  26.622 -20.144  13.784
  374   1H2     G  35          1H2         G  35  24.554 -19.781  13.083
  375   2H2     G  35          2H2         G  35  23.167 -19.898  14.144
  376   1H5*    C  36          1H5*        C  36  19.639 -25.121  18.455
  377   2H5*    C  36          2H5*        C  36  20.053 -26.743  17.869
  378    H4*    C  36           H4*        C  36  18.794 -25.105  16.286
  379    H3*    C  36           H3*        C  36  21.203 -26.767  15.489
  380    H2*    C  36           H2*        C  36  21.013 -25.885  13.290
  381   2HO*    C  36          2HO*        C  36  19.096 -24.276  13.080
  382    H1*    C  36           H1*        C  36  20.663 -23.295  14.041
  383   1H4     C  36          1H4         C  36  26.985 -24.199  13.628
  384   2H4     C  36          2H4         C  36  27.027 -24.577  15.336
  385    H5     C  36           H5         C  36  25.043 -24.779  16.693
  386    H6     C  36           H6         C  36  22.595 -24.674  16.699
  387   1H5*    C  37          1H5*        C  37  18.444 -29.445  13.262
  388   2H5*    C  37          2H5*        C  37  19.317 -30.990  13.315
  389    H4*    C  37           H4*        C  37  19.300 -29.527  11.118
  390    H3*    C  37           H3*        C  37  21.809 -30.889  12.218
  391    H2*    C  37           H2*        C  37  22.927 -30.089  10.279
  392   2HO*    C  37          2HO*        C  37  21.536 -28.984   8.618
  393    H1*    C  37           H1*        C  37  21.691 -27.607  10.247
  394   1H4     C  37          1H4         C  37  27.485 -27.414  13.112
  395   2H4     C  37          2H4         C  37  26.650 -27.336  14.647
  396    H5     C  37           H5         C  37  24.255 -27.463  14.852
  397    H6     C  37           H6         C  37  22.151 -27.852  13.656
  398   1H5*    C  38          1H5*        C  38  21.574 -30.986   7.277
  399   2H5*    C  38          2H5*        C  38  20.977 -32.640   7.527
  400    H4*    C  38           H4*        C  38  22.549 -32.623   5.677
  401    H3*    C  38           H3*        C  38  23.364 -34.023   8.198
  402    H2*    C  38           H2*        C  38  25.556 -34.349   7.515
  403   2HO*    C  38          2HO*        C  38  25.970 -34.910   5.535
  404    H1*    C  38           H1*        C  38  25.971 -32.028   6.096
  405   1H4     C  38          1H4         C  38  28.443 -30.529  11.744
  406   2H4     C  38          2H4         C  38  26.877 -30.634  12.516
  407    H5     C  38           H5         C  38  24.870 -31.294  11.352
  408    H6     C  38           H6         C  38  23.937 -31.991   9.194
  409    H3T    C  38           H3T        C  38  21.952 -35.018   6.766
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  38.945 -27.595  11.501
    2   2H5*    G   1          2H5*        G   1  37.355 -27.888  12.232
    3    H4*    G   1           H4*        G   1  38.387 -28.843   9.547
    4    H3*    G   1           H3*        G   1  36.188 -26.966  10.422
    5    H2*    G   1           H2*        G   1  34.744 -27.764   8.751
    6   2HO*    G   1          2HO*        G   1  36.303 -29.465   7.357
    7    H1*    G   1           H1*        G   1  35.417 -30.425   8.849
    8    H8     G   1           H8         G   1  35.276 -28.962  12.362
    9    H1     G   1           H1         G   1  29.551 -30.651  10.043
   10   1H2     G   1          1H2         G   1  29.721 -31.158   7.889
   11   2H2     G   1          2H2         G   1  31.237 -31.069   7.019
   12    H5T    G   1           H5T        G   1  38.685 -29.315  13.190
   13   1H5*    G   2          1H5*        G   2  35.713 -27.057   6.451
   14   2H5*    G   2          2H5*        G   2  35.758 -25.405   5.806
   15    H4*    G   2           H4*        G   2  33.717 -26.530   5.096
   16    H3*    G   2           H3*        G   2  33.265 -24.340   7.157
   17    H2*    G   2           H2*        G   2  30.955 -24.742   6.991
   18   2HO*    G   2          2HO*        G   2  31.226 -26.410   4.733
   19    H1*    G   2           H1*        G   2  31.131 -27.510   6.557
   20    H8     G   2           H8         G   2  33.107 -25.919   9.467
   21    H1     G   2           H1         G   2  27.227 -27.941  10.994
   22   1H2     G   2          1H2         G   2  26.162 -28.629   9.172
   23   2H2     G   2          2H2         G   2  26.898 -28.599   7.585
   24   1H5*    G   3          1H5*        G   3  31.064 -22.332   3.519
   25   2H5*    G   3          2H5*        G   3  31.062 -20.651   4.088
   26    H4*    G   3           H4*        G   3  28.801 -21.958   3.776
   27    H3*    G   3           H3*        G   3  29.443 -20.166   6.149
   28    H2*    G   3           H2*        G   3  27.321 -20.668   7.016
   29   2HO*    G   3          2HO*        G   3  26.310 -21.986   4.794
   30    H1*    G   3           H1*        G   3  27.157 -23.306   6.054
   31    H8     G   3           H8         G   3  30.433 -22.649   7.851
   32    H1     G   3           H1         G   3  25.562 -23.927  11.807
   33   1H2     G   3          1H2         G   3  23.651 -23.943  10.679
   34   2H2     G   3          2H2         G   3  23.573 -23.645   8.958
   35   1H5*    C   4          1H5*        C   4  25.440 -18.889   4.636
   36   2H5*    C   4          2H5*        C   4  25.466 -17.113   4.692
   37    H4*    C   4           H4*        C   4  23.548 -18.237   5.914
   38    H3*    C   4           H3*        C   4  25.418 -16.347   7.360
   39    H2*    C   4           H2*        C   4  24.226 -16.694   9.347
   40   2HO*    C   4          2HO*        C   4  22.109 -17.327   9.413
   41    H1*    C   4           H1*        C   4  23.464 -19.364   8.863
   42   1H4     C   4          1H4         C   4  27.996 -19.667  13.328
   43   2H4     C   4          2H4         C   4  29.232 -19.439  12.110
   44    H5     C   4           H5         C   4  28.738 -19.013   9.794
   45    H6     C   4           H6         C   4  26.955 -18.670   8.147
   46   1H5*    U   5          1H5*        U   5  22.534 -16.514   4.645
   47   2H5*    U   5          2H5*        U   5  21.935 -15.658   3.206
   48    H4*    U   5           H4*        U   5  20.574 -14.215   4.845
   49    H3*    U   5           H3*        U   5  21.901 -15.534   6.887
   50    H2*    U   5           H2*        U   5  20.952 -17.675   6.530
   51   2HO*    U   5          2HO*        U   5  18.622 -17.090   7.762
   52    H1*    U   5           H1*        U   5  18.285 -16.440   5.840
   53    H3     U   5           H3         U   5  17.456 -21.004   5.750
   54    H5     U   5           H5         U   5  19.469 -20.038   2.175
   55    H6     U   5           H6         U   5  19.935 -17.847   3.105
   56   1H5*    A   6          1H5*        A   6  18.194 -13.849   7.646
   57   2H5*    A   6          2H5*        A   6  17.393 -12.353   7.132
   58    H4*    A   6           H4*        A   6  16.945 -11.684   9.267
   59    H3*    A   6           H3*        A   6  19.543 -12.998  10.055
   60    H2*    A   6           H2*        A   6  18.736 -13.453  12.210
   61   2HO*    A   6          2HO*        A   6  16.475 -11.792  11.756
   62    H1*    A   6           H1*        A   6  16.141 -14.092  11.561
   63    H8     A   6           H8         A   6  18.972 -15.401   9.263
   64   1H6     A   6          1H6         A   6  18.628 -20.568  12.628
   65   2H6     A   6          2H6         A   6  19.356 -19.807  11.232
   66    H2     A   6           H2         A   6  15.896 -17.522  14.487
   67   1H5*    G   7          1H5*        G   7  18.230 -10.427  12.796
   68   2H5*    G   7          2H5*        G   7  19.350  -9.516  13.829
   69    H4*    G   7           H4*        G   7  17.696 -11.262  14.888
   70    H3*    G   7           H3*        G   7  20.610 -10.918  15.630
   71    H2*    G   7           H2*        G   7  20.393 -12.676  17.199
   72   2HO*    G   7          2HO*        G   7  18.558 -12.448  18.278
   73    H1*    G   7           H1*        G   7  18.880 -14.345  15.636
   74    H8     G   7           H8         G   7  20.966 -13.525  12.905
   75    H1     G   7           H1         G   7  24.639 -15.957  17.552
   76   1H2     G   7          1H2         G   7  23.534 -15.948  19.477
   77   2H2     G   7          2H2         G   7  21.896 -15.348  19.618
   78   1H5*    C   8          1H5*        C   8  19.446 -10.397  19.233
   79   2H5*    C   8          2H5*        C   8  19.768  -8.796  19.927
   80    H4*    C   8           H4*        C   8  20.860 -10.334  21.352
   81    H3*    C   8           H3*        C   8  22.911  -9.150  19.443
   82    H2*    C   8           H2*        C   8  24.534 -10.287  20.747
   83   2HO*    C   8          2HO*        C   8  22.475 -10.327  22.669
   84    H1*    C   8           H1*        C   8  23.038 -12.602  21.068
   85   1H4     C   8          1H4         C   8  27.166 -13.475  16.251
   86   2H4     C   8          2H4         C   8  25.918 -12.980  15.129
   87    H5     C   8           H5         C   8  23.767 -12.148  15.829
   88    H6     C   8           H6         C   8  22.362 -11.579  17.755
   89   1H5*    A   9          1H5*        A   9  24.805  -7.789  23.447
   90   2H5*    A   9          2H5*        A   9  25.776  -6.485  22.739
   91    H4*    A   9           H4*        A   9  26.939  -8.550  23.874
   92    H3*    A   9           H3*        A   9  27.851  -7.563  21.138
   93    H2*    A   9           H2*        A   9  29.791  -8.949  21.611
   94   2HO*    A   9          2HO*        A   9  29.899  -8.476  23.910
   95    H1*    A   9           H1*        A   9  28.182 -11.041  22.349
   96    H8     A   9           H8         A   9  26.261  -9.359  19.620
   97   1H6     A   9          1H6         A   9  30.169 -11.836  15.538
   98   2H6     A   9          2H6         A   9  28.684 -10.936  15.746
   99    H2     A   9           H2         A   9  31.818 -12.581  19.660
  100   1H5*    C  10          1H5*        C  10  30.966  -5.264  23.569
  101   2H5*    C  10          2H5*        C  10  31.671  -4.045  22.490
  102    H4*    C  10           H4*        C  10  33.121  -6.070  23.331
  103    H3*    C  10           H3*        C  10  33.083  -5.084  20.455
  104    H2*    C  10           H2*        C  10  34.864  -6.632  20.053
  105   2HO*    C  10          2HO*        C  10  36.045  -7.505  21.626
  106    H1*    C  10           H1*        C  10  33.602  -8.704  21.269
  107   1H4     C  10          1H4         C  10  31.563  -8.269  15.166
  108   2H4     C  10          2H4         C  10  30.018  -7.760  15.807
  109    H5     C  10           H5         C  10  29.647  -7.290  18.142
  110    H6     C  10           H6         C  10  30.682  -7.199  20.360
  111   1H5*    U  11          1H5*        U  11  36.889  -3.504  19.969
  112   2H5*    U  11          2H5*        U  11  36.379  -1.993  19.196
  113    H4*    U  11           H4*        U  11  37.557  -3.916  17.820
  114    H3*    U  11           H3*        U  11  35.206  -2.243  16.839
  115    H2*    U  11           H2*        U  11  35.395  -3.405  14.775
  116   2HO*    U  11          2HO*        U  11  37.198  -4.611  14.233
  117    H1*    U  11           H1*        U  11  35.873  -5.892  15.869
  118    H3     U  11           H3         U  11  31.692  -5.515  13.853
  119    H5     U  11           H5         U  11  31.181  -4.881  17.989
  120    H6     U  11           H6         U  11  33.596  -4.754  18.199
  121   1H5*    C  12          1H5*        C  12  38.270  -2.606  13.827
  122   2H5*    C  12          2H5*        C  12  38.743  -0.951  13.394
  123    H4*    C  12           H4*        C  12  38.553  -2.328  11.383
  124    H3*    C  12           H3*        C  12  36.381  -0.221  11.692
  125    H2*    C  12           H2*        C  12  35.470  -0.903   9.614
  126   2HO*    C  12          2HO*        C  12  37.076  -1.128   8.210
  127    H1*    C  12           H1*        C  12  35.845  -3.611   9.961
  128   1H4     C  12          1H4         C  12  29.813  -2.536  11.690
  129   2H4     C  12          2H4         C  12  30.334  -1.825  13.200
  130    H5     C  12           H5         C  12  32.658  -1.514  13.782
  131    H6     C  12           H6         C  12  34.975  -1.781  13.015
  132   1H5*    U  13          1H5*        U  13  38.743   2.122   7.611
  133   2H5*    U  13          2H5*        U  13  37.569   3.416   7.937
  134    H4*    U  13           H4*        U  13  37.728   1.902   5.621
  135    H3*    U  13           H3*        U  13  35.431   3.531   6.742
  136    H2*    U  13           H2*        U  13  34.064   2.703   5.005
  137   2HO*    U  13          2HO*        U  13  36.154   2.933   3.543
  138    H1*    U  13           H1*        U  13  35.096   0.126   4.955
  139    H3     U  13           H3         U  13  30.712  -0.018   6.341
  140    H5     U  13           H5         U  13  32.999   0.667   9.816
  141    H6     U  13           H6         U  13  34.933   1.024   8.392
  142   1H5*    G  14          1H5*        G  14  36.586   6.226   2.733
  143   2H5*    G  14          2H5*        G  14  35.779   7.719   3.255
  144    H4*    G  14           H4*        G  14  35.058   6.580   1.016
  145    H3*    G  14           H3*        G  14  33.145   7.641   3.121
  146    H2*    G  14           H2*        G  14  31.321   6.943   1.769
  147   2HO*    G  14          2HO*        G  14  31.783   7.429  -0.285
  148    H1*    G  14           H1*        G  14  32.311   4.490   1.139
  149    H8     G  14           H8         G  14  33.600   4.961   4.596
  150    H1     G  14           H1         G  14  27.305   3.789   4.543
  151   1H2     G  14          1H2         G  14  26.516   3.969   2.476
  152   2H2     G  14          2H2         G  14  27.533   4.371   1.112
  153   1H5*    G  15          1H5*        G  15  32.252  10.436  -0.126
  154   2H5*    G  15          2H5*        G  15  31.384  11.828   0.553
  155    H4*    G  15           H4*        G  15  30.072   9.937  -0.719
  156    H3*    G  15           H3*        G  15  29.156  11.175   1.902
  157    H2*    G  15           H2*        G  15  27.173   9.878   1.656
  158   2HO*    G  15          2HO*        G  15  26.969  10.263  -0.649
  159    H1*    G  15           H1*        G  15  28.463   7.576   0.889
  160    H8     G  15           H8         G  15  30.884   8.427   3.390
  161    H1     G  15           H1         G  15  25.191   7.554   6.190
  162   1H2     G  15          1H2         G  15  23.581   7.576   4.658
  163   2H2     G  15          2H2         G  15  23.908   7.804   2.954
  164   1H5*    U  16          1H5*        U  16  26.434  12.083  -0.412
  165   2H5*    U  16          2H5*        U  16  25.798  13.689  -0.820
  166    H4*    U  16           H4*        U  16  23.960  12.496   0.069
  167    H3*    U  16           H3*        U  16  25.143  14.229   2.283
  168    H2*    U  16           H2*        U  16  23.342  13.502   3.647
  169   2HO*    U  16          2HO*        U  16  22.168  12.602   1.209
  170    H1*    U  16           H1*        U  16  23.367  10.877   2.759
  171    H3     U  16           H3         U  16  24.638  11.190   7.184
  172    H5     U  16           H5         U  16  28.163  11.649   4.918
  173    H6     U  16           H6         U  16  26.784  11.774   2.922
  174   1H5*    A  17          1H5*        A  17  21.566  16.974   1.611
  175   2H5*    A  17          2H5*        A  17  22.083  18.468   2.417
  176    H4*    A  17           H4*        A  17  20.310  16.881   3.553
  177    H3*    A  17           H3*        A  17  22.628  18.196   5.048
  178    H2*    A  17           H2*        A  17  21.786  17.170   7.015
  179   2HO*    A  17          2HO*        A  17  19.528  17.731   6.392
  180    H1*    A  17           H1*        A  17  21.103  14.758   5.856
  181    H8     A  17           H8         A  17  24.430  15.423   4.370
  182   1H6     A  17          1H6         A  17  26.965  14.038   9.844
  183   2H6     A  17          2H6         A  17  27.288  14.356   8.154
  184    H2     A  17           H2         A  17  22.530  14.424  10.424
  185   1H5*    U  18          1H5*        U  18  22.653  22.308   6.342
  186   2H5*    U  18          2H5*        U  18  24.112  21.343   6.637
  187    H4*    U  18           H4*        U  18  21.375  21.056   7.889
  188    H3*    U  18           H3*        U  18  24.143  21.730   8.897
  189    H2*    U  18           H2*        U  18  24.085  20.220  10.651
  190   2HO*    U  18          2HO*        U  18  21.846  21.058  11.165
  191    H1*    U  18           H1*        U  18  22.641  18.179   9.573
  192    H3     U  18           H3         U  18  27.047  17.079  10.311
  193    H5     U  18           H5         U  18  26.682  18.118   6.239
  194    H6     U  18           H6         U  18  24.485  19.030   6.743
  195   1H5*    U  19          1H5*        U  19  25.311  25.384  10.083
  196   2H5*    U  19          2H5*        U  19  25.064  23.780   9.363
  197    H4*    U  19           H4*        U  19  24.480  23.950  12.262
  198    H3*    U  19           H3*        U  19  27.326  24.321  11.232
  199    H2*    U  19           H2*        U  19  28.067  22.976  13.032
  200   2HO*    U  19          2HO*        U  19  26.662  22.418  14.758
  201    H1*    U  19           H1*        U  19  25.987  21.155  12.904
  202    H3     U  19           H3         U  19  30.139  19.385  11.651
  203    H5     U  19           H5         U  19  28.144  20.579   8.137
  204    H6     U  19           H6         U  19  26.502  21.704   9.524
  205   1H5*    A  20          1H5*        A  20  29.294  27.869  14.684
  206   2H5*    A  20          2H5*        A  20  30.453  26.561  14.378
  207    H4*    A  20           H4*        A  20  30.224  27.429  16.795
  208    H3*    A  20           H3*        A  20  30.815  24.798  15.841
  209    H2*    A  20           H2*        A  20  28.826  23.798  16.531
  210   2HO*    A  20          2HO*        A  20  30.736  23.490  18.286
  211    H1*    A  20           H1*        A  20  28.619  25.708  18.868
  212    H8     A  20           H8         A  20  26.652  24.113  15.917
  213   1H6     A  20          1H6         A  20  21.948  23.878  19.892
  214   2H6     A  20          2H6         A  20  22.508  23.450  18.290
  215    H2     A  20           H2         A  20  25.393  25.912  21.953
  216   1H5*    C  21          1H5*        C  21  33.933  21.780  18.549
  217   2H5*    C  21          2H5*        C  21  34.554  22.796  17.238
  218    H4*    C  21           H4*        C  21  32.629  20.503  17.136
  219    H3*    C  21           H3*        C  21  34.998  21.219  15.442
  220    H2*    C  21           H2*        C  21  33.890  20.725  13.502
  221   2HO*    C  21          2HO*        C  21  33.057  18.784  13.194
  222    H1*    C  21           H1*        C  21  31.234  20.431  14.746
  223   1H4     C  21          1H4         C  21  31.433  24.151   9.356
  224   2H4     C  21          2H4         C  21  30.192  24.986  10.261
  225    H5     C  21           H5         C  21  29.666  24.488  12.554
  226    H6     C  21           H6         C  21  30.205  23.064  14.473
  227   1H5*    G  22          1H5*        G  22  34.057  19.492  18.635
  228   2H5*    G  22          2H5*        G  22  35.093  18.339  19.499
  229    H4*    G  22           H4*        G  22  33.454  17.861  20.933
  230    H3*    G  22           H3*        G  22  31.773  17.214  18.480
  231    H2*    G  22           H2*        G  22  29.828  17.505  19.711
  232   2HO*    G  22          2HO*        G  22  29.634  16.662  21.634
  233    H1*    G  22           H1*        G  22  30.851  19.281  21.689
  234    H8     G  22           H8         G  22  29.460  21.439  21.386
  235    H1     G  22           H1         G  22  28.353  20.199  15.206
  236   1H2     G  22          1H2         G  22  29.498  18.419  14.565
  237   2H2     G  22          2H2         G  22  30.547  17.533  15.649
  238   1H5*    G  23          1H5*        G  23  31.142  12.115  18.398
  239   2H5*    G  23          2H5*        G  23  31.616  13.392  17.263
  240    H4*    G  23           H4*        G  23  30.027  14.046  19.741
  241    H3*    G  23           H3*        G  23  28.954  12.849  17.174
  242    H2*    G  23           H2*        G  23  27.168  14.385  17.193
  243   2HO*    G  23          2HO*        G  23  27.655  14.372  19.899
  244    H1*    G  23           H1*        G  23  28.575  16.595  17.982
  245    H8     G  23           H8         G  23  31.039  15.044  15.745
  246    H1     G  23           H1         G  23  26.093  17.400  12.442
  247   1H2     G  23          1H2         G  23  24.405  17.846  13.818
  248   2H2     G  23          2H2         G  23  24.503  17.566  15.542
  249   1H5*    U  24          1H5*        U  24  25.368  11.520  19.383
  250   2H5*    U  24          2H5*        U  24  25.007  10.017  18.515
  251    H4*    U  24           H4*        U  24  23.435  12.093  18.254
  252    H3*    U  24           H3*        U  24  24.323  10.387  15.869
  253    H2*    U  24           H2*        U  24  22.844  11.745  14.594
  254   2HO*    U  24          2HO*        U  24  21.298  11.724  16.565
  255    H1*    U  24           H1*        U  24  23.545  14.133  15.766
  256    H3     U  24           H3         U  24  25.040  13.598  11.380
  257    H5     U  24           H5         U  24  28.242  12.629  13.944
  258    H6     U  24           H6         U  24  26.678  12.658  15.801
  259   1H5*    A  25          1H5*        A  25  20.255   8.092  16.456
  260   2H5*    A  25          2H5*        A  25  20.644   6.631  15.528
  261    H4*    A  25           H4*        A  25  18.935   8.346  14.565
  262    H3*    A  25           H3*        A  25  21.050   6.925  12.876
  263    H2*    A  25           H2*        A  25  20.326   8.214  11.057
  264   2HO*    A  25          2HO*        A  25  18.015   7.873  11.869
  265    H1*    A  25           H1*        A  25  20.017  10.626  12.279
  266    H8     A  25           H8         A  25  23.034   9.479  14.054
  267   1H6     A  25          1H6         A  25  26.300  10.549   8.915
  268   2H6     A  25          2H6         A  25  26.388  10.211  10.628
  269    H2     A  25           H2         A  25  21.938  10.700   7.841
  270   1H5*    C  26          1H5*        C  26  17.424   5.900  10.539
  271   2H5*    C  26          2H5*        C  26  17.827   4.234  10.087
  272    H4*    C  26           H4*        C  26  17.566   5.974   8.206
  273    H3*    C  26           H3*        C  26  19.979   4.156   8.423
  274    H2*    C  26           H2*        C  26  20.684   5.044   6.343
  275   2HO*    C  26          2HO*        C  26  18.362   5.001   5.564
  276    H1*    C  26           H1*        C  26  20.021   7.666   6.903
  277   1H4     C  26          1H4         C  26  26.222   6.920   8.274
  278   2H4     C  26          2H4         C  26  25.798   6.525   9.925
  279    H5     C  26           H5         C  26  23.521   6.264  10.675
  280    H6     C  26           H6         C  26  21.163   6.308   9.999
  281   1H5*    C  27          1H5*        C  27  18.340   3.049   4.786
  282   2H5*    C  27          2H5*        C  27  18.398   1.304   4.483
  283    H4*    C  27           H4*        C  27  19.608   2.628   2.767
  284    H3*    C  27           H3*        C  27  21.430   0.872   4.482
  285    H2*    C  27           H2*        C  27  23.116   1.420   2.862
  286   2HO*    C  27          2HO*        C  27  22.661   2.185   0.886
  287    H1*    C  27           H1*        C  27  22.402   4.086   2.765
  288   1H4     C  27          1H4         C  27  27.206   3.381   6.946
  289   2H4     C  27          2H4         C  27  26.042   3.136   8.229
  290    H5     C  27           H5         C  27  23.662   3.027   7.849
  291    H6     C  27           H6         C  27  21.893   3.062   6.149
  292   1H5*    U  28          1H5*        U  28  23.308  -3.031   2.538
  293   2H5*    U  28          2H5*        U  28  23.549  -2.489   4.210
  294    H4*    U  28           H4*        U  28  25.167  -1.735   1.758
  295    H3*    U  28           H3*        U  28  25.793  -3.285   4.286
  296    H2*    U  28           H2*        U  28  27.989  -2.426   4.234
  297   2HO*    U  28          2HO*        U  28  28.125  -2.803   1.864
  298    H1*    U  28           H1*        U  28  27.359   0.134   3.437
  299    H3     U  28           H3         U  28  28.877   0.181   7.768
  300    H5     U  28           H5         U  28  24.741  -0.593   8.019
  301    H6     U  28           H6         U  28  24.710  -0.857   5.606
  302   1H5*    U  29          1H5*        U  29  27.035  -7.565   4.204
  303   2H5*    U  29          2H5*        U  29  26.656  -5.881   4.617
  304    H4*    U  29           H4*        U  29  28.971  -6.313   2.799
  305    H3*    U  29           H3*        U  29  29.032  -7.183   5.699
  306    H2*    U  29           H2*        U  29  31.160  -6.191   5.928
  307   2HO*    U  29          2HO*        U  29  31.750  -7.072   3.717
  308    H1*    U  29           H1*        U  29  30.663  -3.929   4.446
  309    H3     U  29           H3         U  29  31.067  -3.206   9.053
  310    H5     U  29           H5         U  29  26.958  -3.343   8.123
  311    H6     U  29           H6         U  29  27.552  -4.180   5.922
  312   1H5*    U  30          1H5*        U  30  33.035 -10.661   5.760
  313   2H5*    U  30          2H5*        U  30  32.416  -9.709   7.126
  314    H4*    U  30           H4*        U  30  34.829  -9.091   5.389
  315    H3*    U  30           H3*        U  30  34.478 -10.088   8.201
  316    H2*    U  30           H2*        U  30  36.062  -8.596   9.085
  317   2HO*    U  30          2HO*        U  30  37.721  -7.820   7.952
  318    H1*    U  30           H1*        U  30  35.481  -6.384   7.600
  319    H3     U  30           H3         U  30  34.056  -6.321  12.085
  320    H5     U  30           H5         U  30  30.714  -7.080   9.631
  321    H6     U  30           H6         U  30  32.238  -7.442   7.778
  322   1H5*    G  31          1H5*        G  31  38.354 -12.797   8.103
  323   2H5*    G  31          2H5*        G  31  37.416 -14.106   8.852
  324    H4*    G  31           H4*        G  31  39.336 -12.937  10.201
  325    H3*    G  31           H3*        G  31  36.603 -13.650  11.278
  326    H2*    G  31           H2*        G  31  37.204 -12.716  13.363
  327   2HO*    G  31          2HO*        G  31  39.681 -13.467  12.601
  328    H1*    G  31           H1*        G  31  38.519 -10.507  12.403
  329    H8     G  31           H8         G  31  35.626 -10.781  10.085
  330    H1     G  31           H1         G  31  33.847  -8.750  15.893
  331   1H2     G  31          1H2         G  31  35.496  -9.063  17.347
  332   2H2     G  31          2H2         G  31  37.032  -9.765  16.889
  333   1H5*    U  32          1H5*        U  32  39.003 -16.228  14.029
  334   2H5*    U  32          2H5*        U  32  37.941 -17.614  14.346
  335    H4*    U  32           H4*        U  32  38.557 -15.956  16.285
  336    H3*    U  32           H3*        U  32  35.781 -17.063  15.762
  337    H2*    U  32           H2*        U  32  35.033 -15.855  17.647
  338   2HO*    U  32          2HO*        U  32  36.824 -14.764  18.945
  339    H1*    U  32           H1*        U  32  36.602 -13.595  17.259
  340    H3     U  32           H3         U  32  32.047 -12.774  16.850
  341    H5     U  32           H5         U  32  33.524 -13.555  12.980
  342    H6     U  32           H6         U  32  35.604 -14.290  13.992
  343   1H5*    G  33          1H5*        G  33  34.365 -20.327  19.497
  344   2H5*    G  33          2H5*        G  33  33.710 -19.103  18.392
  345    H4*    G  33           H4*        G  33  34.475 -18.661  21.299
  346    H3*    G  33           H3*        G  33  31.709 -19.028  19.986
  347    H2*    G  33           H2*        G  33  30.855 -17.365  21.448
  348   2HO*    G  33          2HO*        G  33  32.338 -18.274  23.227
  349    H1*    G  33           H1*        G  33  32.834 -15.571  21.145
  350    H8     G  33           H8         G  33  33.008 -16.969  17.765
  351    H1     G  33           H1         G  33  27.506 -13.808  18.616
  352   1H2     G  33          1H2         G  33  27.186 -13.400  20.774
  353   2H2     G  33          2H2         G  33  28.326 -13.899  22.004
  354   1H5*    C  34          1H5*        C  34  30.026 -19.463  23.803
  355   2H5*    C  34          2H5*        C  34  29.218 -21.041  23.706
  356    H4*    C  34           H4*        C  34  27.674 -19.156  24.272
  357    H3*    C  34           H3*        C  34  27.204 -20.682  21.691
  358    H2*    C  34           H2*        C  34  25.326 -19.350  21.265
  359   2HO*    C  34          2HO*        C  34  25.320 -19.078  24.055
  360    H1*    C  34           H1*        C  34  26.316 -16.986  22.408
  361   1H4     C  34          1H4         C  34  26.528 -16.315  16.064
  362   2H4     C  34          2H4         C  34  28.099 -17.081  16.038
  363    H5     C  34           H5         C  34  29.132 -18.045  17.997
  364    H6     C  34           H6         C  34  28.865 -18.494  20.394
  365   1H5*    G  35          1H5*        G  35  23.290 -22.266  22.990
  366   2H5*    G  35          2H5*        G  35  23.437 -23.818  22.141
  367    H4*    G  35           H4*        G  35  21.781 -21.965  21.270
  368    H3*    G  35           H3*        G  35  23.617 -23.616  19.512
  369    H2*    G  35           H2*        G  35  22.703 -22.519  17.637
  370   2HO*    G  35          2HO*        G  35  20.534 -22.134  19.345
  371    H1*    G  35           H1*        G  35  22.493 -20.004  18.810
  372    H8     G  35           H8         G  35  25.873 -21.114  19.812
  373    H1     G  35           H1         G  35  25.580 -19.788  13.556
  374   1H2     G  35          1H2         G  35  23.469 -19.594  12.920
  375   2H2     G  35          2H2         G  35  22.130 -19.792  14.028
  376   1H5*    C  36          1H5*        C  36  19.310 -24.971  18.052
  377   2H5*    C  36          2H5*        C  36  19.697 -26.647  17.619
  378    H4*    C  36           H4*        C  36  18.643 -25.117  15.816
  379    H3*    C  36           H3*        C  36  21.117 -26.815  15.331
  380    H2*    C  36           H2*        C  36  21.072 -26.081  13.064
  381   2HO*    C  36          2HO*        C  36  18.889 -24.434  13.175
  382    H1*    C  36           H1*        C  36  20.670 -23.452  13.638
  383   1H4     C  36          1H4         C  36  27.006 -24.349  13.686
  384   2H4     C  36          2H4         C  36  26.939 -24.624  15.413
  385    H5     C  36           H5         C  36  24.871 -24.756  16.648
  386    H6     C  36           H6         C  36  22.427 -24.662  16.491
  387   1H5*    C  37          1H5*        C  37  18.509 -29.652  13.102
  388   2H5*    C  37          2H5*        C  37  19.378 -31.191  13.273
  389    H4*    C  37           H4*        C  37  19.486 -29.829  11.016
  390    H3*    C  37           H3*        C  37  21.927 -31.130  12.321
  391    H2*    C  37           H2*        C  37  23.157 -30.417  10.416
  392   2HO*    C  37          2HO*        C  37  21.872 -30.963   8.717
  393    H1*    C  37           H1*        C  37  21.919 -27.945  10.195
  394   1H4     C  37          1H4         C  37  27.542 -27.592  13.368
  395   2H4     C  37          2H4         C  37  26.621 -27.438  14.847
  396    H5     C  37           H5         C  37  24.219 -27.561  14.923
  397    H6     C  37           H6         C  37  22.185 -28.017  13.628
  398   1H5*    C  38          1H5*        C  38  21.775 -31.992   7.163
  399   2H5*    C  38          2H5*        C  38  21.446 -33.642   7.736
  400    H4*    C  38           H4*        C  38  23.201 -33.512   5.951
  401    H3*    C  38           H3*        C  38  23.756 -34.683   8.657
  402    H2*    C  38           H2*        C  38  26.023 -34.924   8.239
  403   2HO*    C  38          2HO*        C  38  25.169 -35.537   5.809
  404    H1*    C  38           H1*        C  38  26.436 -32.698   6.633
  405   1H4     C  38          1H4         C  38  28.558 -30.715  12.277
  406   2H4     C  38          2H4         C  38  26.948 -30.769  12.957
  407    H5     C  38           H5         C  38  25.024 -31.556  11.733
  408    H6     C  38           H6         C  38  24.233 -32.455   9.593
  409    H3T    C  38           H3T        C  38  22.564 -35.532   6.650
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  37.521 -28.215  11.986
    2   2H5*    G   1          2H5*        G   1  38.929 -29.198  11.533
    3    H4*    G   1           H4*        G   1  38.460 -28.839   9.163
    4    H3*    G   1           H3*        G   1  36.299 -26.981  10.168
    5    H2*    G   1           H2*        G   1  34.818 -27.725   8.503
    6   2HO*    G   1          2HO*        G   1  36.210 -29.377   6.974
    7    H1*    G   1           H1*        G   1  35.525 -30.389   8.502
    8    H8     G   1           H8         G   1  35.370 -29.107  12.070
    9    H1     G   1           H1         G   1  29.636 -30.609   9.649
   10   1H2     G   1          1H2         G   1  29.805 -30.991   7.470
   11   2H2     G   1          2H2         G   1  31.323 -30.866   6.609
   12    H5T    G   1           H5T        G   1  38.664 -26.495  11.717
   13   1H5*    G   2          1H5*        G   2  35.712 -26.988   6.186
   14   2H5*    G   2          2H5*        G   2  35.768 -25.316   5.594
   15    H4*    G   2           H4*        G   2  33.705 -26.383   4.871
   16    H3*    G   2           H3*        G   2  33.307 -24.275   7.020
   17    H2*    G   2           H2*        G   2  30.992 -24.650   6.884
   18   2HO*    G   2          2HO*        G   2  30.444 -26.207   4.922
   19    H1*    G   2           H1*        G   2  31.130 -27.399   6.319
   20    H8     G   2           H8         G   2  33.150 -25.954   9.275
   21    H1     G   2           H1         G   2  27.275 -28.009  10.775
   22   1H2     G   2          1H2         G   2  26.186 -28.608   8.936
   23   2H2     G   2          2H2         G   2  26.904 -28.511   7.345
   24   1H5*    G   3          1H5*        G   3  31.006 -22.204   3.442
   25   2H5*    G   3          2H5*        G   3  31.022 -20.536   4.048
   26    H4*    G   3           H4*        G   3  28.747 -21.807   3.713
   27    H3*    G   3           H3*        G   3  29.436 -20.072   6.112
   28    H2*    G   3           H2*        G   3  27.331 -20.570   7.011
   29   2HO*    G   3          2HO*        G   3  26.295 -21.786   4.723
   30    H1*    G   3           H1*        G   3  27.098 -23.181   5.989
   31    H8     G   3           H8         G   3  30.408 -22.564   7.760
   32    H1     G   3           H1         G   3  25.598 -24.027  11.725
   33   1H2     G   3          1H2         G   3  23.674 -24.030  10.620
   34   2H2     G   3          2H2         G   3  23.573 -23.678   8.909
   35   1H5*    C   4          1H5*        C   4  25.668 -16.400   6.109
   36   2H5*    C   4          2H5*        C   4  26.831 -16.961   7.330
   37    H4*    C   4           H4*        C   4  24.037 -18.023   6.809
   38    H3*    C   4           H3*        C   4  25.266 -16.425   9.056
   39    H2*    C   4           H2*        C   4  23.996 -17.626  10.622
   40   2HO*    C   4          2HO*        C   4  22.169 -18.888   9.962
   41    H1*    C   4           H1*        C   4  23.984 -20.099   9.320
   42   1H4     C   4          1H4         C   4  28.230 -20.358  14.115
   43   2H4     C   4          2H4         C   4  29.493 -20.024  12.952
   44    H5     C   4           H5         C   4  29.056 -19.474  10.651
   45    H6     C   4           H6         C   4  27.312 -19.082   8.971
   46   1H5*    U   5          1H5*        U   5  21.818 -15.732   6.915
   47   2H5*    U   5          2H5*        U   5  21.093 -14.275   6.201
   48    H4*    U   5           H4*        U   5  19.225 -14.363   7.661
   49    H3*    U   5           H3*        U   5  20.838 -15.337   9.680
   50    H2*    U   5           H2*        U   5  20.996 -17.566   8.881
   51   2HO*    U   5          2HO*        U   5  18.579 -18.284   9.873
   52    H1*    U   5           H1*        U   5  18.101 -17.526   8.032
   53    H3     U   5           H3         U   5  20.206 -21.789   7.413
   54    H5     U   5           H5         U   5  20.230 -19.562   3.834
   55    H6     U   5           H6         U   5  19.594 -17.607   5.122
   56   1H5*    A   6          1H5*        A   6  16.972 -16.034  11.061
   57   2H5*    A   6          2H5*        A   6  15.967 -14.864  11.935
   58    H4*    A   6           H4*        A   6  15.707 -16.817  13.185
   59    H3*    A   6           H3*        A   6  17.848 -15.089  14.413
   60    H2*    A   6           H2*        A   6  18.398 -16.744  15.978
   61   2HO*    A   6          2HO*        A   6  16.733 -17.653  16.888
   62    H1*    A   6           H1*        A   6  18.104 -18.962  14.377
   63    H8     A   6           H8         A   6  19.851 -16.686  12.072
   64   1H6     A   6          1H6         A   6  25.066 -17.724  15.214
   65   2H6     A   6          2H6         A   6  24.378 -17.068  13.747
   66    H2     A   6           H2         A   6  21.641 -19.299  17.660
   67   1H5*    G   7          1H5*        G   7  17.536 -11.752  16.844
   68   2H5*    G   7          2H5*        G   7  19.114 -12.452  16.430
   69    H4*    G   7           H4*        G   7  17.159 -13.301  18.565
   70    H3*    G   7           H3*        G   7  20.069 -12.489  18.537
   71    H2*    G   7           H2*        G   7  20.524 -13.997  20.295
   72   2HO*    G   7          2HO*        G   7  18.562 -15.142  21.228
   73    H1*    G   7           H1*        G   7  19.021 -16.091  19.401
   74    H8     G   7           H8         G   7  20.327 -14.812  16.194
   75    H1     G   7           H1         G   7  24.965 -17.510  19.686
   76   1H2     G   7          1H2         G   7  24.262 -17.826  21.768
   77   2H2     G   7          2H2         G   7  22.657 -17.376  22.296
   78   1H5*    C   8          1H5*        C   8  19.789 -10.941  22.582
   79   2H5*    C   8          2H5*        C   8  20.786  -9.487  22.396
   80    H4*    C   8           H4*        C   8  21.704 -11.409  23.851
   81    H3*    C   8           H3*        C   8  23.380 -10.207  21.613
   82    H2*    C   8           H2*        C   8  25.161 -11.515  22.473
   83   2HO*    C   8          2HO*        C   8  23.770 -12.506  24.673
   84    H1*    C   8           H1*        C   8  23.585 -13.746  23.029
   85   1H4     C   8          1H4         C   8  26.642 -14.698  17.484
   86   2H4     C   8          2H4         C   8  25.244 -14.071  16.640
   87    H5     C   8           H5         C   8  23.339 -13.118  17.765
   88    H6     C   8           H6         C   8  22.375 -12.535  19.942
   89   1H5*    A   9          1H5*        A   9  26.152  -9.432  25.276
   90   2H5*    A   9          2H5*        A   9  27.002  -8.057  24.547
   91    H4*    A   9           H4*        A   9  28.337 -10.204  25.201
   92    H3*    A   9           H3*        A   9  28.663  -9.024  22.414
   93    H2*    A   9           H2*        A   9  30.634 -10.443  22.365
   94   2HO*    A   9          2HO*        A   9  31.180 -10.101  24.659
   95    H1*    A   9           H1*        A   9  29.179 -12.574  23.305
   96    H8     A   9           H8         A   9  26.786 -10.707  21.120
   97   1H6     A   9          1H6         A   9  29.719 -13.004  16.202
   98   2H6     A   9          2H6         A   9  28.332 -12.094  16.756
   99    H2     A   9           H2         A   9  32.144 -14.017  19.857
  100   1H5*    C  10          1H5*        C  10  32.295  -6.974  24.278
  101   2H5*    C  10          2H5*        C  10  32.788  -5.679  23.168
  102    H4*    C  10           H4*        C  10  34.340  -7.767  23.544
  103    H3*    C  10           H3*        C  10  33.730  -6.561  20.820
  104    H2*    C  10           H2*        C  10  35.357  -8.080  19.939
  105   2HO*    C  10          2HO*        C  10  36.815  -9.091  21.164
  106    H1*    C  10           H1*        C  10  34.332 -10.237  21.231
  107   1H4     C  10          1H4         C  10  31.075  -9.325  15.741
  108   2H4     C  10          2H4         C  10  29.715  -8.836  16.723
  109    H5     C  10           H5         C  10  29.851  -8.531  19.111
  110    H6     C  10           H6         C  10  31.326  -8.621  21.066
  111   1H5*    U  11          1H5*        U  11  36.310  -2.928  18.961
  112   2H5*    U  11          2H5*        U  11  34.898  -3.986  18.786
  113    H4*    U  11           H4*        U  11  37.699  -4.674  17.842
  114    H3*    U  11           H3*        U  11  35.441  -3.271  16.419
  115    H2*    U  11           H2*        U  11  35.767  -4.588  14.494
  116   2HO*    U  11          2HO*        U  11  38.118  -4.316  14.611
  117    H1*    U  11           H1*        U  11  36.254  -6.994  15.692
  118    H3     U  11           H3         U  11  32.051  -6.566  13.660
  119    H5     U  11           H5         U  11  31.565  -6.181  17.828
  120    H6     U  11           H6         U  11  33.977  -6.008  18.026
  121   1H5*    C  12          1H5*        C  12  39.374  -2.050  13.518
  122   2H5*    C  12          2H5*        C  12  38.688  -0.431  13.278
  123    H4*    C  12           H4*        C  12  39.272  -2.155  11.254
  124    H3*    C  12           H3*        C  12  37.086  -0.057  11.339
  125    H2*    C  12           H2*        C  12  36.370  -0.764   9.213
  126   2HO*    C  12          2HO*        C  12  38.838  -0.931   8.647
  127    H1*    C  12           H1*        C  12  36.942  -3.484   9.566
  128   1H4     C  12          1H4         C  12  30.628  -2.185  10.154
  129   2H4     C  12          2H4         C  12  30.799  -2.695  11.819
  130    H5     C  12           H5         C  12  32.934  -3.197  12.834
  131    H6     C  12           H6         C  12  35.360  -3.278  12.474
  132   1H5*    U  13          1H5*        U  13  37.979   3.557   8.066
  133   2H5*    U  13          2H5*        U  13  36.339   3.106   8.581
  134    H4*    U  13           H4*        U  13  37.757   2.455   5.994
  135    H3*    U  13           H3*        U  13  35.219   3.927   6.713
  136    H2*    U  13           H2*        U  13  34.130   3.063   4.807
  137   2HO*    U  13          2HO*        U  13  35.839   1.681   3.429
  138    H1*    U  13           H1*        U  13  35.147   0.521   4.875
  139    H3     U  13           H3         U  13  30.685   0.496   6.050
  140    H5     U  13           H5         U  13  32.846   0.964   9.639
  141    H6     U  13           H6         U  13  34.849   1.310   8.311
  142   1H5*    G  14          1H5*        G  14  37.052   7.124   3.469
  143   2H5*    G  14          2H5*        G  14  36.194   8.577   4.025
  144    H4*    G  14           H4*        G  14  35.670   7.531   1.662
  145    H3*    G  14           H3*        G  14  33.598   8.595   3.617
  146    H2*    G  14           H2*        G  14  31.905   8.011   2.052
  147   2HO*    G  14          2HO*        G  14  32.536   8.475   0.060
  148    H1*    G  14           H1*        G  14  32.873   5.542   1.458
  149    H8     G  14           H8         G  14  33.791   5.946   5.056
  150    H1     G  14           H1         G  14  27.539   4.811   4.277
  151   1H2     G  14          1H2         G  14  26.988   5.017   2.137
  152   2H2     G  14          2H2         G  14  28.156   5.428   0.901
  153   1H5*    G  15          1H5*        G  15  33.334  11.697   0.365
  154   2H5*    G  15          2H5*        G  15  32.408  13.069   1.005
  155    H4*    G  15           H4*        G  15  31.281  11.391  -0.667
  156    H3*    G  15           H3*        G  15  29.972  12.496   1.842
  157    H2*    G  15           H2*        G  15  28.010  11.284   1.242
  158   2HO*    G  15          2HO*        G  15  28.832  10.072  -1.042
  159    H1*    G  15           H1*        G  15  29.275   8.958   0.619
  160    H8     G  15           H8         G  15  31.485   9.799   3.361
  161    H1     G  15           H1         G  15  25.542   8.861   5.559
  162   1H2     G  15          1H2         G  15  24.097   8.874   3.869
  163   2H2     G  15          2H2         G  15  24.595   9.111   2.209
  164   1H5*    U  16          1H5*        U  16  27.835  13.676  -0.957
  165   2H5*    U  16          2H5*        U  16  27.256  15.284  -1.442
  166    H4*    U  16           H4*        U  16  25.301  14.108  -0.873
  167    H3*    U  16           H3*        U  16  26.168  15.731   1.563
  168    H2*    U  16           H2*        U  16  24.183  14.975   2.632
  169   2HO*    U  16          2HO*        U  16  22.499  14.987   1.345
  170    H1*    U  16           H1*        U  16  24.334  12.384   1.692
  171    H3     U  16           H3         U  16  25.084  12.528   6.232
  172    H5     U  16           H5         U  16  28.839  13.151   4.423
  173    H6     U  16           H6         U  16  27.705  13.327   2.283
  174   1H5*    A  17          1H5*        A  17  22.579  18.406   0.583
  175   2H5*    A  17          2H5*        A  17  22.969  19.895   1.470
  176    H4*    A  17           H4*        A  17  21.034  18.310   2.303
  177    H3*    A  17           H3*        A  17  23.090  19.608   4.159
  178    H2*    A  17           H2*        A  17  21.939  18.569   5.958
  179   2HO*    A  17          2HO*        A  17  19.876  17.852   5.827
  180    H1*    A  17           H1*        A  17  21.470  16.163   4.700
  181    H8     A  17           H8         A  17  24.978  16.888   3.731
  182   1H6     A  17          1H6         A  17  26.678  15.456   9.507
  183   2H6     A  17          2H6         A  17  27.247  15.804   7.891
  184    H2     A  17           H2         A  17  22.201  15.774   9.416
  185   1H5*    U  18          1H5*        U  18  20.153  23.020   6.263
  186   2H5*    U  18          2H5*        U  18  21.741  23.674   6.706
  187    H4*    U  18           H4*        U  18  19.901  22.403   8.403
  188    H3*    U  18           H3*        U  18  22.791  23.288   8.779
  189    H2*    U  18           H2*        U  18  23.036  21.910  10.643
  190   2HO*    U  18          2HO*        U  18  20.907  22.646  11.475
  191    H1*    U  18           H1*        U  18  21.589  19.750   9.834
  192    H3     U  18           H3         U  18  26.012  18.672   9.998
  193    H5     U  18           H5         U  18  25.276  19.987   6.060
  194    H6     U  18           H6         U  18  23.115  20.807   6.815
  195   1H5*    U  19          1H5*        U  19  24.562  26.535  10.760
  196   2H5*    U  19          2H5*        U  19  25.508  25.275   9.942
  197    H4*    U  19           H4*        U  19  23.980  24.991  12.555
  198    H3*    U  19           H3*        U  19  26.916  25.184  11.909
  199    H2*    U  19           H2*        U  19  27.409  23.629  13.600
  200   2HO*    U  19          2HO*        U  19  25.951  23.110  15.236
  201    H1*    U  19           H1*        U  19  25.233  21.967  13.213
  202    H3     U  19           H3         U  19  29.446  20.171  12.078
  203    H5     U  19           H5         U  19  27.528  21.429   8.543
  204    H6     U  19           H6         U  19  25.878  22.560   9.913
  205   1H5*    A  20          1H5*        A  20  29.236  27.971  15.477
  206   2H5*    A  20          2H5*        A  20  29.611  26.239  15.378
  207    H4*    A  20           H4*        A  20  29.608  27.699  17.690
  208    H3*    A  20           H3*        A  20  30.230  25.079  17.227
  209    H2*    A  20           H2*        A  20  27.972  24.345  17.029
  210   2HO*    A  20          2HO*        A  20  28.733  24.091  19.762
  211    H1*    A  20           H1*        A  20  27.184  25.887  19.498
  212    H8     A  20           H8         A  20  26.093  25.817  15.768
  213   1H6     A  20          1H6         A  20  20.559  24.235  17.965
  214   2H6     A  20          2H6         A  20  21.499  24.572  16.530
  215    H2     A  20           H2         A  20  23.370  24.611  21.459
  216   1H5*    C  21          1H5*        C  21  32.415  22.381  19.445
  217   2H5*    C  21          2H5*        C  21  33.575  23.100  18.317
  218    H4*    C  21           H4*        C  21  31.535  21.055  17.860
  219    H3*    C  21           H3*        C  21  34.021  21.818  16.378
  220    H2*    C  21           H2*        C  21  33.074  21.374  14.343
  221   2HO*    C  21          2HO*        C  21  32.227  19.449  13.921
  222    H1*    C  21           H1*        C  21  30.324  21.048  15.341
  223   1H4     C  21          1H4         C  21  30.982  24.936  10.115
  224   2H4     C  21          2H4         C  21  29.695  25.774  10.952
  225    H5     C  21           H5         C  21  28.994  25.223  13.185
  226    H6     C  21           H6         C  21  29.360  23.732  15.094
  227   1H5*    G  22          1H5*        G  22  32.892  17.257  18.491
  228   2H5*    G  22          2H5*        G  22  32.108  18.805  18.117
  229    H4*    G  22           H4*        G  22  32.153  17.588  20.893
  230    H3*    G  22           H3*        G  22  30.214  17.118  18.638
  231    H2*    G  22           H2*        G  22  28.393  17.562  19.993
  232   2HO*    G  22          2HO*        G  22  28.250  16.587  21.846
  233    H1*    G  22           H1*        G  22  29.682  19.170  21.963
  234    H8     G  22           H8         G  22  28.127  21.207  21.912
  235    H1     G  22           H1         G  22  27.390  20.932  15.560
  236   1H2     G  22          1H2         G  22  28.601  19.282  14.720
  237   2H2     G  22          2H2         G  22  29.593  18.242  15.714
  238   1H5*    G  23          1H5*        G  23  29.845  13.069  18.240
  239   2H5*    G  23          2H5*        G  23  29.430  13.800  16.677
  240    H4*    G  23           H4*        G  23  28.590  14.638  19.454
  241    H3*    G  23           H3*        G  23  27.138  13.727  16.984
  242    H2*    G  23           H2*        G  23  25.449  15.333  17.246
  243   2HO*    G  23          2HO*        G  23  26.435  15.865  19.865
  244    H1*    G  23           H1*        G  23  26.953  17.457  18.022
  245    H8     G  23           H8         G  23  29.289  15.941  15.625
  246    H1     G  23           H1         G  23  24.251  18.506  12.631
  247   1H2     G  23          1H2         G  23  22.635  18.935  14.096
  248   2H2     G  23          2H2         G  23  22.802  18.593  15.803
  249   1H5*    U  24          1H5*        U  24  23.417  12.886  18.735
  250   2H5*    U  24          2H5*        U  24  23.140  11.387  17.832
  251    H4*    U  24           H4*        U  24  21.801  13.565  17.238
  252    H3*    U  24           H3*        U  24  23.054  11.761  15.125
  253    H2*    U  24           H2*        U  24  21.935  13.133  13.539
  254   2HO*    U  24          2HO*        U  24  20.486  14.233  15.738
  255    H1*    U  24           H1*        U  24  22.420  15.522  14.880
  256    H3     U  24           H3         U  24  24.580  15.077  10.760
  257    H5     U  24           H5         U  24  27.332  14.028  13.776
  258    H6     U  24           H6         U  24  25.491  14.023  15.360
  259   1H5*    A  25          1H5*        A  25  18.927   9.926  14.878
  260   2H5*    A  25          2H5*        A  25  19.191   8.346  14.115
  261    H4*    A  25           H4*        A  25  18.233  10.318  12.701
  262    H3*    A  25           H3*        A  25  20.490   8.534  11.759
  263    H2*    A  25           H2*        A  25  20.369   9.676   9.696
  264   2HO*    A  25          2HO*        A  25  18.610  10.957   9.118
  265    H1*    A  25           H1*        A  25  19.884  12.199  10.787
  266    H8     A  25           H8         A  25  22.648  11.023  12.897
  267   1H6     A  25          1H6         A  25  26.512  11.947   8.158
  268   2H6     A  25          2H6         A  25  26.393  11.638   9.876
  269    H2     A  25           H2         A  25  22.308  12.149   6.579
  270   1H5*    C  26          1H5*        C  26  17.269   7.056   8.945
  271   2H5*    C  26          2H5*        C  26  17.819   5.416   8.555
  272    H4*    C  26           H4*        C  26  17.748   7.210   6.677
  273    H3*    C  26           H3*        C  26  20.141   5.410   7.158
  274    H2*    C  26           H2*        C  26  21.074   6.352   5.197
  275   2HO*    C  26          2HO*        C  26  19.578   6.500   3.679
  276    H1*    C  26           H1*        C  26  20.289   8.953   5.721
  277   1H4     C  26          1H4         C  26  26.323   8.313   7.744
  278   2H4     C  26          2H4         C  26  25.730   7.880   9.333
  279    H5     C  26           H5         C  26  23.392   7.557   9.826
  280    H6     C  26           H6         C  26  21.120   7.561   8.899
  281   1H5*    C  27          1H5*        C  27  18.655   4.287   3.608
  282   2H5*    C  27          2H5*        C  27  18.597   2.593   3.091
  283    H4*    C  27           H4*        C  27  20.070   3.847   1.624
  284    H3*    C  27           H3*        C  27  21.694   2.091   3.528
  285    H2*    C  27           H2*        C  27  23.553   2.654   2.107
  286   2HO*    C  27          2HO*        C  27  21.613   3.817   0.360
  287    H1*    C  27           H1*        C  27  22.836   5.316   1.961
  288   1H4     C  27          1H4         C  27  27.136   4.610   6.654
  289   2H4     C  27          2H4         C  27  25.840   4.308   7.790
  290    H5     C  27           H5         C  27  23.521   4.161   7.139
  291    H6     C  27           H6         C  27  21.957   4.205   5.250
  292   1H5*    U  28          1H5*        U  28  23.350  -1.914   2.088
  293   2H5*    U  28          2H5*        U  28  23.747  -1.567   3.781
  294    H4*    U  28           H4*        U  28  25.212  -0.729   1.278
  295    H3*    U  28           H3*        U  28  25.948  -2.286   3.772
  296    H2*    U  28           H2*        U  28  28.128  -1.393   3.699
  297   2HO*    U  28          2HO*        U  28  28.200  -1.722   1.307
  298    H1*    U  28           H1*        U  28  27.488   1.171   3.005
  299    H3     U  28           H3         U  28  28.863   1.036   7.383
  300    H5     U  28           H5         U  28  24.716   0.285   7.466
  301    H6     U  28           H6         U  28  24.765   0.116   5.046
  302   1H5*    U  29          1H5*        U  29  28.829  -6.460   2.008
  303   2H5*    U  29          2H5*        U  29  28.917  -5.572   3.541
  304    H4*    U  29           H4*        U  29  30.843  -5.521   1.220
  305    H3*    U  29           H3*        U  29  31.026  -6.323   4.113
  306    H2*    U  29           H2*        U  29  33.086  -5.255   4.427
  307   2HO*    U  29          2HO*        U  29  33.757  -6.161   2.223
  308    H1*    U  29           H1*        U  29  32.687  -3.000   2.963
  309    H3     U  29           H3         U  29  32.503  -2.470   7.629
  310    H5     U  29           H5         U  29  28.562  -2.412   6.132
  311    H6     U  29           H6         U  29  29.430  -3.200   4.004
  312   1H5*    U  30          1H5*        U  30  31.629 -10.294   5.485
  313   2H5*    U  30          2H5*        U  30  31.569  -8.519   5.541
  314    H4*    U  30           H4*        U  30  34.297  -9.543   5.219
  315    H3*    U  30           H3*        U  30  32.736 -10.478   7.643
  316    H2*    U  30           H2*        U  30  34.613  -9.986   8.988
  317   2HO*    U  30          2HO*        U  30  36.590  -9.226   7.623
  318    H1*    U  30           H1*        U  30  35.346  -7.645   7.733
  319    H3     U  30           H3         U  30  33.656  -6.934  12.003
  320    H5     U  30           H5         U  30  30.434  -6.524   9.317
  321    H6     U  30           H6         U  30  31.860  -7.420   7.570
  322   1H5*    G  31          1H5*        G  31  35.887 -13.932   7.277
  323   2H5*    G  31          2H5*        G  31  35.116 -15.257   8.174
  324    H4*    G  31           H4*        G  31  37.331 -14.206   9.081
  325    H3*    G  31           H3*        G  31  34.891 -14.874  10.734
  326    H2*    G  31           H2*        G  31  35.970 -14.027  12.656
  327   2HO*    G  31          2HO*        G  31  38.198 -14.796  11.315
  328    H1*    G  31           H1*        G  31  37.123 -11.827  11.493
  329    H8     G  31           H8         G  31  33.779 -11.953   9.864
  330    H1     G  31           H1         G  31  33.406 -10.018  15.957
  331   1H2     G  31          1H2         G  31  35.325 -10.414  17.001
  332   2H2     G  31          2H2         G  31  36.697 -11.147  16.199
  333   1H5*    U  32          1H5*        U  32  37.713 -17.749  12.675
  334   2H5*    U  32          2H5*        U  32  36.687 -19.105  13.181
  335    H4*    U  32           H4*        U  32  37.813 -17.570  14.984
  336    H3*    U  32           H3*        U  32  34.944 -18.545  15.069
  337    H2*    U  32           H2*        U  32  34.688 -17.389  17.110
  338   2HO*    U  32          2HO*        U  32  36.635 -18.156  18.052
  339    H1*    U  32           H1*        U  32  36.222 -15.169  16.464
  340    H3     U  32           H3         U  32  31.706 -14.229  17.078
  341    H5     U  32           H5         U  32  32.318 -14.814  12.949
  342    H6     U  32           H6         U  32  34.535 -15.657  13.464
  343   1H5*    G  33          1H5*        G  33  34.458 -21.658  19.083
  344   2H5*    G  33          2H5*        G  33  33.263 -20.638  18.257
  345    H4*    G  33           H4*        G  33  34.675 -20.143  20.884
  346    H3*    G  33           H3*        G  33  31.701 -20.368  20.080
  347    H2*    G  33           H2*        G  33  31.185 -18.769  21.760
  348   2HO*    G  33          2HO*        G  33  32.942 -19.808  23.184
  349    H1*    G  33           H1*        G  33  33.125 -17.008  21.178
  350    H8     G  33           H8         G  33  32.651 -18.243  17.763
  351    H1     G  33           H1         G  33  27.482 -15.020  19.732
  352   1H2     G  33          1H2         G  33  27.566 -14.710  21.929
  353   2H2     G  33          2H2         G  33  28.893 -15.291  22.909
  354   1H5*    C  34          1H5*        C  34  30.567 -23.459  23.500
  355   2H5*    C  34          2H5*        C  34  29.243 -24.043  22.472
  356    H4*    C  34           H4*        C  34  28.895 -22.431  24.638
  357    H3*    C  34           H3*        C  34  27.175 -22.734  22.163
  358    H2*    C  34           H2*        C  34  25.843 -20.930  22.873
  359   2HO*    C  34          2HO*        C  34  27.038 -21.376  25.416
  360    H1*    C  34           H1*        C  34  27.841 -19.324  23.859
  361   1H4     C  34          1H4         C  34  26.458 -17.688  17.795
  362   2H4     C  34          2H4         C  34  27.998 -18.381  17.336
  363    H5     C  34           H5         C  34  29.402 -19.609  18.868
  364    H6     C  34           H6         C  34  29.617 -20.453  21.162
  365   1H5*    G  35          1H5*        G  35  22.807 -24.413  23.110
  366   2H5*    G  35          2H5*        G  35  23.588 -25.434  21.886
  367    H4*    G  35           H4*        G  35  21.757 -23.376  21.430
  368    H3*    G  35           H3*        G  35  23.705 -24.665  19.447
  369    H2*    G  35           H2*        G  35  22.853 -23.139  17.856
  370   2HO*    G  35          2HO*        G  35  20.597 -23.356  19.343
  371    H1*    G  35           H1*        G  35  22.610 -20.997  19.632
  372    H8     G  35           H8         G  35  25.950 -21.793  20.547
  373    H1     G  35           H1         G  35  25.814 -20.374  14.307
  374   1H2     G  35          1H2         G  35  23.731 -20.434  13.559
  375   2H2     G  35          2H2         G  35  22.372 -20.826  14.590
  376   1H5*    C  36          1H5*        C  36  19.940 -25.130  17.986
  377   2H5*    C  36          2H5*        C  36  19.321 -26.761  17.657
  378    H4*    C  36           H4*        C  36  18.742 -25.446  15.769
  379    H3*    C  36           H3*        C  36  21.200 -27.138  15.202
  380    H2*    C  36           H2*        C  36  21.150 -26.315  12.970
  381   2HO*    C  36          2HO*        C  36  19.001 -24.658  13.089
  382    H1*    C  36           H1*        C  36  20.735 -23.705  13.646
  383   1H4     C  36          1H4         C  36  27.078 -24.580  13.542
  384   2H4     C  36          2H4         C  36  27.043 -24.890  15.263
  385    H5     C  36           H5         C  36  24.999 -25.057  16.533
  386    H6     C  36           H6         C  36  22.552 -24.975  16.424
  387   1H5*    C  37          1H5*        C  37  18.582 -29.902  12.893
  388   2H5*    C  37          2H5*        C  37  19.469 -31.434  13.022
  389    H4*    C  37           H4*        C  37  19.561 -30.005  10.805
  390    H3*    C  37           H3*        C  37  22.034 -31.309  12.058
  391    H2*    C  37           H2*        C  37  23.228 -30.524  10.155
  392   2HO*    C  37          2HO*        C  37  21.351 -29.347   8.658
  393    H1*    C  37           H1*        C  37  21.957 -28.064  10.032
  394   1H4     C  37          1H4         C  37  27.609 -27.729  13.152
  395   2H4     C  37          2H4         C  37  26.704 -27.659  14.648
  396    H5     C  37           H5         C  37  24.307 -27.834  14.750
  397    H6     C  37           H6         C  37  22.265 -28.274  13.465
  398   1H5*    C  38          1H5*        C  38  22.072 -31.436   7.183
  399   2H5*    C  38          2H5*        C  38  21.463 -33.094   7.386
  400    H4*    C  38           H4*        C  38  23.100 -33.059   5.596
  401    H3*    C  38           H3*        C  38  23.829 -34.466   8.143
  402    H2*    C  38           H2*        C  38  26.048 -34.790   7.536
  403   2HO*    C  38          2HO*        C  38  26.512 -35.363   5.574
  404    H1*    C  38           H1*        C  38  26.509 -32.458   6.154
  405   1H4     C  38          1H4         C  38  28.730 -30.974  11.909
  406   2H4     C  38          2H4         C  38  27.137 -31.111  12.619
  407    H5     C  38           H5         C  38  25.188 -31.789  11.370
  408    H6     C  38           H6         C  38  24.349 -32.475   9.170
  409    H3T    C  38           H3T        C  38  23.877 -35.509   5.529
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  38.156 -29.121  10.917
    2   2H5*    G   1          2H5*        G   1  38.196 -27.422  10.403
    3    H4*    G   1           H4*        G   1  37.664 -28.872   8.509
    4    H3*    G   1           H3*        G   1  35.495 -27.015   9.486
    5    H2*    G   1           H2*        G   1  33.913 -27.924   8.009
    6   2HO*    G   1          2HO*        G   1  35.293 -29.662   6.523
    7    H1*    G   1           H1*        G   1  34.639 -30.560   8.160
    8    H8     G   1           H8         G   1  34.891 -28.943  11.597
    9    H1     G   1           H1         G   1  28.959 -30.790  10.048
   10   1H2     G   1          1H2         G   1  28.882 -31.391   7.914
   11   2H2     G   1          2H2         G   1  30.282 -31.326   6.867
   12    H5T    G   1           H5T        G   1  36.276 -27.068  11.393
   13   1H5*    G   2          1H5*        G   2  34.567 -27.326   5.582
   14   2H5*    G   2          2H5*        G   2  34.506 -25.695   4.886
   15    H4*    G   2           H4*        G   2  32.410 -26.880   4.476
   16    H3*    G   2           H3*        G   2  32.182 -24.599   6.471
   17    H2*    G   2           H2*        G   2  29.878 -25.034   6.616
   18   2HO*    G   2          2HO*        G   2  29.883 -26.798   4.416
   19    H1*    G   2           H1*        G   2  30.040 -27.819   6.273
   20    H8     G   2           H8         G   2  32.315 -26.079   8.862
   21    H1     G   2           H1         G   2  26.693 -28.113  11.153
   22   1H2     G   2          1H2         G   2  25.435 -28.892   9.500
   23   2H2     G   2          2H2         G   2  25.979 -28.920   7.837
   24   1H5*    G   3          1H5*        G   3  29.552 -22.807   3.000
   25   2H5*    G   3          2H5*        G   3  29.582 -21.097   3.475
   26    H4*    G   3           H4*        G   3  27.324 -22.443   3.483
   27    H3*    G   3           H3*        G   3  28.204 -20.510   5.658
   28    H2*    G   3           H2*        G   3  26.215 -20.982   6.804
   29   2HO*    G   3          2HO*        G   3  24.975 -22.418   4.768
   30    H1*    G   3           H1*        G   3  25.966 -23.671   6.017
   31    H8     G   3           H8         G   3  29.424 -22.871   7.370
   32    H1     G   3           H1         G   3  25.088 -24.024  11.939
   33   1H2     G   3          1H2         G   3  23.057 -24.134  11.051
   34   2H2     G   3          2H2         G   3  22.769 -23.929   9.337
   35   1H5*    C   4          1H5*        C   4  25.968 -16.048   5.800
   36   2H5*    C   4          2H5*        C   4  27.047 -17.328   6.398
   37    H4*    C   4           H4*        C   4  24.086 -17.823   6.112
   38    H3*    C   4           H3*        C   4  25.432 -16.287   8.331
   39    H2*    C   4           H2*        C   4  24.188 -17.468   9.926
   40   2HO*    C   4          2HO*        C   4  22.150 -17.630   9.552
   41    H1*    C   4           H1*        C   4  24.014 -19.917   8.569
   42   1H4     C   4          1H4         C   4  28.328 -20.378  13.312
   43   2H4     C   4          2H4         C   4  29.572 -20.283  12.086
   44    H5     C   4           H5         C   4  29.111 -19.819   9.770
   45    H6     C   4           H6         C   4  27.362 -19.305   8.131
   46   1H5*    U   5          1H5*        U   5  20.990 -13.466   7.040
   47   2H5*    U   5          2H5*        U   5  21.446 -15.177   7.186
   48    H4*    U   5           H4*        U   5  20.637 -13.946   4.536
   49    H3*    U   5           H3*        U   5  18.792 -14.161   6.638
   50    H2*    U   5           H2*        U   5  18.735 -16.513   6.758
   51   2HO*    U   5          2HO*        U   5  17.201 -16.184   4.384
   52    H1*    U   5           H1*        U   5  19.193 -16.733   3.780
   53    H3     U   5           H3         U   5  18.528 -20.989   5.867
   54    H5     U   5           H5         U   5  22.639 -20.132   5.494
   55    H6     U   5           H6         U   5  22.046 -17.840   4.963
   56   1H5*    A   6          1H5*        A   6  16.700 -14.886   7.345
   57   2H5*    A   6          2H5*        A   6  15.180 -13.977   7.259
   58    H4*    A   6           H4*        A   6  15.571 -12.887   9.195
   59    H3*    A   6           H3*        A   6  17.992 -12.082   7.986
   60    H2*    A   6           H2*        A   6  19.428 -13.566   9.052
   61   2HO*    A   6          2HO*        A   6  20.287 -12.022  10.230
   62    H1*    A   6           H1*        A   6  17.629 -13.755  11.466
   63    H8     A   6           H8         A   6  19.597 -15.823   8.808
   64   1H6     A   6          1H6         A   6  20.634 -19.764  13.450
   65   2H6     A   6          2H6         A   6  20.949 -19.409  11.766
   66    H2     A   6           H2         A   6  17.989 -16.474  14.992
   67   1H5*    G   7          1H5*        G   7  17.908 -10.242  13.063
   68   2H5*    G   7          2H5*        G   7  19.373 -11.219  12.842
   69    H4*    G   7           H4*        G   7  17.092 -11.672  14.783
   70    H3*    G   7           H3*        G   7  20.046 -11.091  15.087
   71    H2*    G   7           H2*        G   7  20.105 -12.440  17.030
   72   2HO*    G   7          2HO*        G   7  18.279 -13.040  18.145
   73    H1*    G   7           H1*        G   7  18.530 -14.475  16.090
   74    H8     G   7           H8         G   7  20.354 -13.910  13.008
   75    H1     G   7           H1         G   7  24.350 -15.974  17.564
   76   1H2     G   7          1H2         G   7  23.379 -15.812  19.554
   77   2H2     G   7          2H2         G   7  21.753 -15.202  19.760
   78   1H5*    C   8          1H5*        C   8  19.121  -9.962  19.025
   79   2H5*    C   8          2H5*        C   8  19.797  -8.330  19.189
   80    H4*    C   8           H4*        C   8  20.701  -9.924  20.862
   81    H3*    C   8           H3*        C   8  22.703  -8.809  18.859
   82    H2*    C   8           H2*        C   8  24.366  -9.844  20.196
   83   2HO*    C   8          2HO*        C   8  23.178 -10.964  22.220
   84    H1*    C   8           H1*        C   8  22.916 -12.162  20.676
   85   1H4     C   8          1H4         C   8  27.005 -13.216  15.857
   86   2H4     C   8          2H4         C   8  25.716 -12.860  14.730
   87    H5     C   8           H5         C   8  23.545 -12.066  15.415
   88    H6     C   8           H6         C   8  22.156 -11.410  17.325
   89   1H5*    A   9          1H5*        A   9  24.592  -7.035  22.688
   90   2H5*    A   9          2H5*        A   9  25.548  -5.795  21.856
   91    H4*    A   9           H4*        A   9  26.728  -7.757  23.155
   92    H3*    A   9           H3*        A   9  27.636  -6.989  20.342
   93    H2*    A   9           H2*        A   9  29.580  -8.326  20.936
   94   2HO*    A   9          2HO*        A   9  28.608  -7.902  23.519
   95    H1*    A   9           H1*        A   9  27.974 -10.356  21.828
   96    H8     A   9           H8         A   9  26.029  -8.926  18.985
   97   1H6     A   9          1H6         A   9  29.975 -11.632  15.091
   98   2H6     A   9          2H6         A   9  28.473 -10.748  15.235
   99    H2     A   9           H2         A   9  31.650 -12.024  19.250
  100   1H5*    C  10          1H5*        C  10  30.738  -4.418  22.617
  101   2H5*    C  10          2H5*        C  10  31.435  -3.316  21.414
  102    H4*    C  10           H4*        C  10  32.924  -5.172  22.524
  103    H3*    C  10           H3*        C  10  32.953  -4.516  19.543
  104    H2*    C  10           H2*        C  10  34.748  -6.081  19.353
  105   2HO*    C  10          2HO*        C  10  35.424  -5.380  21.701
  106    H1*    C  10           H1*        C  10  33.489  -8.034  20.733
  107   1H4     C  10          1H4         C  10  31.451  -8.153  14.615
  108   2H4     C  10          2H4         C  10  29.900  -7.605  15.209
  109    H5     C  10           H5         C  10  29.522  -6.939  17.496
  110    H6     C  10           H6         C  10  30.553  -6.645  19.698
  111   1H5*    U  11          1H5*        U  11  36.740  -3.507  19.537
  112   2H5*    U  11          2H5*        U  11  36.880  -1.909  18.783
  113    H4*    U  11           H4*        U  11  37.981  -3.760  17.509
  114    H3*    U  11           H3*        U  11  35.753  -2.160  16.184
  115    H2*    U  11           H2*        U  11  36.186  -3.383  14.190
  116   2HO*    U  11          2HO*        U  11  38.041  -4.642  13.938
  117    H1*    U  11           H1*        U  11  36.519  -5.832  15.392
  118    H3     U  11           H3         U  11  32.553  -5.464  12.978
  119    H5     U  11           H5         U  11  31.657  -4.742  17.033
  120    H6     U  11           H6         U  11  34.041  -4.628  17.471
  121   1H5*    C  12          1H5*        C  12  39.166  -2.221  14.094
  122   2H5*    C  12          2H5*        C  12  40.029  -0.718  13.710
  123    H4*    C  12           H4*        C  12  40.247  -2.048  11.768
  124    H3*    C  12           H3*        C  12  38.013  -0.025  11.453
  125    H2*    C  12           H2*        C  12  37.493  -0.883   9.311
  126   2HO*    C  12          2HO*        C  12  39.247  -1.229   8.170
  127    H1*    C  12           H1*        C  12  37.810  -3.542   9.889
  128   1H4     C  12          1H4         C  12  31.593  -2.426  10.677
  129   2H4     C  12          2H4         C  12  31.891  -1.629  12.205
  130    H5     C  12           H5         C  12  34.108  -1.267  13.095
  131    H6     C  12           H6         C  12  36.510  -1.556  12.683
  132   1H5*    U  13          1H5*        U  13  38.256   3.217   8.279
  133   2H5*    U  13          2H5*        U  13  36.729   2.666   9.001
  134    H4*    U  13           H4*        U  13  37.941   1.880   6.342
  135    H3*    U  13           H3*        U  13  35.428   3.323   7.176
  136    H2*    U  13           H2*        U  13  34.189   2.252   5.486
  137   2HO*    U  13          2HO*        U  13  35.813   0.826   4.043
  138    H1*    U  13           H1*        U  13  35.346  -0.237   5.636
  139    H3     U  13           H3         U  13  31.008  -0.386   7.201
  140    H5     U  13           H5         U  13  33.435   0.474  10.539
  141    H6     U  13           H6         U  13  35.296   0.811   9.015
  142   1H5*    G  14          1H5*        G  14  36.791   5.979   3.335
  143   2H5*    G  14          2H5*        G  14  36.008   7.527   3.714
  144    H4*    G  14           H4*        G  14  35.245   6.249   1.595
  145    H3*    G  14           H3*        G  14  33.318   7.347   3.670
  146    H2*    G  14           H2*        G  14  31.515   6.539   2.350
  147   2HO*    G  14          2HO*        G  14  31.927   6.913   0.274
  148    H1*    G  14           H1*        G  14  32.589   4.092   1.824
  149    H8     G  14           H8         G  14  33.828   4.751   5.269
  150    H1     G  14           H1         G  14  27.578   3.365   5.214
  151   1H2     G  14          1H2         G  14  26.801   3.431   3.134
  152   2H2     G  14          2H2         G  14  27.818   3.811   1.763
  153   1H5*    G  15          1H5*        G  15  32.447  10.062   0.259
  154   2H5*    G  15          2H5*        G  15  31.529  11.451   0.873
  155    H4*    G  15           H4*        G  15  30.301   9.529  -0.428
  156    H3*    G  15           H3*        G  15  29.261  10.816   2.121
  157    H2*    G  15           H2*        G  15  27.312   9.469   1.859
  158   2HO*    G  15          2HO*        G  15  27.396   8.021  -0.167
  159    H1*    G  15           H1*        G  15  28.650   7.164   1.252
  160    H8     G  15           H8         G  15  31.039   8.257   3.716
  161    H1     G  15           H1         G  15  25.361   7.292   6.517
  162   1H2     G  15          1H2         G  15  23.767   7.153   4.973
  163   2H2     G  15          2H2         G  15  24.102   7.296   3.263
  164   1H5*    U  16          1H5*        U  16  26.770  11.761  -0.546
  165   2H5*    U  16          2H5*        U  16  26.087  13.325  -1.038
  166    H4*    U  16           H4*        U  16  24.262  12.109  -0.167
  167    H3*    U  16           H3*        U  16  25.327  13.944   2.026
  168    H2*    U  16           H2*        U  16  23.509  13.203   3.365
  169   2HO*    U  16          2HO*        U  16  22.386  12.632   0.881
  170    H1*    U  16           H1*        U  16  23.646  10.554   2.572
  171    H3     U  16           H3         U  16  24.813  11.057   7.008
  172    H5     U  16           H5         U  16  28.366  11.570   4.797
  173    H6     U  16           H6         U  16  27.026  11.578   2.772
  174   1H5*    A  17          1H5*        A  17  21.527  16.397   1.329
  175   2H5*    A  17          2H5*        A  17  21.979  17.962   2.034
  176    H4*    A  17           H4*        A  17  20.220  16.406   3.236
  177    H3*    A  17           H3*        A  17  22.438  17.901   4.740
  178    H2*    A  17           H2*        A  17  21.518  16.972   6.720
  179   2HO*    A  17          2HO*        A  17  19.288  17.423   5.985
  180    H1*    A  17           H1*        A  17  20.972  14.470   5.690
  181    H8     A  17           H8         A  17  24.350  15.166   4.327
  182   1H6     A  17          1H6         A  17  26.644  14.192   9.993
  183   2H6     A  17          2H6         A  17  27.042  14.425   8.305
  184    H2     A  17           H2         A  17  22.175  14.448  10.329
  185   1H5*    U  18          1H5*        U  18  21.485  22.251   6.974
  186   2H5*    U  18          2H5*        U  18  22.552  20.888   6.587
  187    H4*    U  18           H4*        U  18  20.321  20.689   8.632
  188    H3*    U  18           H3*        U  18  23.178  21.657   9.026
  189    H2*    U  18           H2*        U  18  23.428  20.308  10.912
  190   2HO*    U  18          2HO*        U  18  21.825  19.802  12.218
  191    H1*    U  18           H1*        U  18  21.967  18.131  10.085
  192    H3     U  18           H3         U  18  26.439  17.196  10.602
  193    H5     U  18           H5         U  18  25.802  18.021   6.515
  194    H6     U  18           H6         U  18  23.612  18.893   7.107
  195   1H5*    U  19          1H5*        U  19  24.326  25.412  10.344
  196   2H5*    U  19          2H5*        U  19  25.518  24.290   9.656
  197    H4*    U  19           H4*        U  19  23.864  23.936  12.178
  198    H3*    U  19           H3*        U  19  26.832  24.177  11.633
  199    H2*    U  19           H2*        U  19  27.264  22.760  13.466
  200   2HO*    U  19          2HO*        U  19  25.766  22.349  15.064
  201    H1*    U  19           H1*        U  19  25.138  21.034  13.051
  202    H3     U  19           H3         U  19  29.499  19.326  12.332
  203    H5     U  19           H5         U  19  27.704  20.131   8.606
  204    H6     U  19           H6         U  19  25.948  21.325   9.778
  205   1H5*    A  20          1H5*        A  20  29.176  27.237  14.803
  206   2H5*    A  20          2H5*        A  20  29.376  25.475  14.855
  207    H4*    A  20           H4*        A  20  29.528  27.220  17.019
  208    H3*    A  20           H3*        A  20  30.244  24.604  16.787
  209    H2*    A  20           H2*        A  20  28.010  23.771  16.699
  210   2HO*    A  20          2HO*        A  20  28.836  23.770  19.425
  211    H1*    A  20           H1*        A  20  27.203  25.461  19.058
  212    H8     A  20           H8         A  20  26.077  25.070  15.357
  213   1H6     A  20          1H6         A  20  20.620  23.489  17.741
  214   2H6     A  20          2H6         A  20  21.536  23.740  16.272
  215    H2     A  20           H2         A  20  23.451  24.235  21.159
  216   1H5*    C  21          1H5*        C  21  32.396  22.093  19.242
  217   2H5*    C  21          2H5*        C  21  33.574  22.705  18.070
  218    H4*    C  21           H4*        C  21  31.569  20.615  17.772
  219    H3*    C  21           H3*        C  21  34.007  21.359  16.178
  220    H2*    C  21           H2*        C  21  33.038  20.726  14.203
  221   2HO*    C  21          2HO*        C  21  32.296  18.741  13.945
  222    H1*    C  21           H1*        C  21  30.323  20.386  15.287
  223   1H4     C  21          1H4         C  21  30.738  23.901   9.779
  224   2H4     C  21          2H4         C  21  29.439  24.753  10.582
  225    H5     C  21           H5         C  21  28.800  24.340  12.863
  226    H6     C  21           H6         C  21  29.258  23.006  14.866
  227   1H5*    G  22          1H5*        G  22  32.873  19.762  19.425
  228   2H5*    G  22          2H5*        G  22  33.922  18.727  20.414
  229    H4*    G  22           H4*        G  22  32.218  18.164  21.739
  230    H3*    G  22           H3*        G  22  30.736  17.318  19.214
  231    H2*    G  22           H2*        G  22  28.713  17.542  20.320
  232   2HO*    G  22          2HO*        G  22  28.446  16.801  22.287
  233    H1*    G  22           H1*        G  22  29.505  19.442  22.288
  234    H8     G  22           H8         G  22  27.965  21.466  21.843
  235    H1     G  22           H1         G  22  27.396  20.040  15.629
  236   1H2     G  22          1H2         G  22  28.715  18.343  15.108
  237   2H2     G  22          2H2         G  22  29.745  17.556  16.284
  238   1H5*    G  23          1H5*        G  23  30.201  12.342  19.117
  239   2H5*    G  23          2H5*        G  23  30.756  13.640  18.044
  240    H4*    G  23           H4*        G  23  29.016  14.330  20.391
  241    H3*    G  23           H3*        G  23  28.032  12.966  17.870
  242    H2*    G  23           H2*        G  23  26.211  14.462  17.789
  243   2HO*    G  23          2HO*        G  23  25.394  15.424  19.514
  244    H1*    G  23           H1*        G  23  27.567  16.737  18.479
  245    H8     G  23           H8         G  23  30.091  15.140  16.350
  246    H1     G  23           H1         G  23  25.119  17.176  12.877
  247   1H2     G  23          1H2         G  23  23.403  17.643  14.210
  248   2H2     G  23          2H2         G  23  23.487  17.457  15.947
  249   1H5*    U  24          1H5*        U  24  24.208  12.121  19.669
  250   2H5*    U  24          2H5*        U  24  23.909  10.545  18.913
  251    H4*    U  24           H4*        U  24  22.500  12.652  18.218
  252    H3*    U  24           H3*        U  24  23.649  10.723  16.157
  253    H2*    U  24           H2*        U  24  22.378  11.961  14.572
  254   2HO*    U  24          2HO*        U  24  21.059  13.158  16.804
  255    H1*    U  24           H1*        U  24  22.889  14.440  15.749
  256    H3     U  24           H3         U  24  24.679  13.858  11.473
  257    H5     U  24           H5         U  24  27.726  13.033  14.267
  258    H6     U  24           H6         U  24  26.038  13.051  16.013
  259   1H5*    A  25          1H5*        A  25  19.555   8.833  16.340
  260   2H5*    A  25          2H5*        A  25  19.754   7.198  15.681
  261    H4*    A  25           H4*        A  25  18.671   9.048  14.203
  262    H3*    A  25           H3*        A  25  20.892   7.240  13.212
  263    H2*    A  25           H2*        A  25  20.568   8.219  11.085
  264   2HO*    A  25          2HO*        A  25  18.278   9.636  11.920
  265    H1*    A  25           H1*        A  25  20.088  10.803  12.044
  266    H8     A  25           H8         A  25  23.082   9.848  13.944
  267   1H6     A  25          1H6         A  25  26.440  10.585   8.805
  268   2H6     A  25          2H6         A  25  26.497  10.383  10.542
  269    H2     A  25           H2         A  25  22.101  10.560   7.633
  270   1H5*    C  26          1H5*        C  26  17.505   5.583  10.791
  271   2H5*    C  26          2H5*        C  26  17.979   3.907  10.456
  272    H4*    C  26           H4*        C  26  17.768   5.547   8.472
  273    H3*    C  26           H3*        C  26  20.228   3.819   8.887
  274    H2*    C  26           H2*        C  26  20.969   4.611   6.781
  275   2HO*    C  26          2HO*        C  26  18.571   4.488   6.036
  276    H1*    C  26           H1*        C  26  20.167   7.234   7.173
  277   1H4     C  26          1H4         C  26  26.379   6.869   8.649
  278   2H4     C  26          2H4         C  26  25.951   6.549  10.315
  279    H5     C  26           H5         C  26  23.679   6.219  11.054
  280    H6     C  26           H6         C  26  21.331   6.109  10.352
  281   1H5*    C  27          1H5*        C  27  18.649   2.412   5.407
  282   2H5*    C  27          2H5*        C  27  18.704   0.663   5.130
  283    H4*    C  27           H4*        C  27  19.951   1.894   3.404
  284    H3*    C  27           H3*        C  27  21.797   0.325   5.269
  285    H2*    C  27           H2*        C  27  23.498   0.835   3.649
  286   2HO*    C  27          2HO*        C  27  22.686   0.649   1.665
  287    H1*    C  27           H1*        C  27  22.669   3.457   3.366
  288   1H4     C  27          1H4         C  27  27.435   3.246   7.640
  289   2H4     C  27          2H4         C  27  26.267   3.015   8.922
  290    H5     C  27           H5         C  27  23.901   2.763   8.522
  291    H6     C  27           H6         C  27  22.158   2.610   6.802
  292   1H5*    U  28          1H5*        U  28  23.795  -3.970   3.900
  293   2H5*    U  28          2H5*        U  28  23.710  -2.862   5.282
  294    H4*    U  28           H4*        U  28  25.472  -2.342   2.871
  295    H3*    U  28           H3*        U  28  26.038  -3.807   5.441
  296    H2*    U  28           H2*        U  28  28.235  -2.924   5.440
  297   2HO*    U  28          2HO*        U  28  28.638  -3.385   3.193
  298    H1*    U  28           H1*        U  28  27.506  -0.425   4.429
  299    H3     U  28           H3         U  28  29.247  -0.015   8.670
  300    H5     U  28           H5         U  28  25.144  -0.838   9.177
  301    H6     U  28           H6         U  28  25.011  -1.299   6.797
  302   1H5*    U  29          1H5*        U  29  29.073  -6.359   1.738
  303   2H5*    U  29          2H5*        U  29  28.829  -5.864   3.424
  304    H4*    U  29           H4*        U  29  31.216  -5.285   1.654
  305    H3*    U  29           H3*        U  29  30.903  -6.895   4.192
  306    H2*    U  29           H2*        U  29  33.085  -6.239   4.820
  307   2HO*    U  29          2HO*        U  29  34.336  -4.960   3.180
  308    H1*    U  29           H1*        U  29  32.909  -3.622   4.001
  309    H3     U  29           H3         U  29  32.951  -3.554   8.567
  310    H5     U  29           H5         U  29  28.947  -4.354   7.524
  311    H6     U  29           H6         U  29  29.668  -4.619   5.220
  312   1H5*    U  30          1H5*        U  30  33.804 -10.359   4.806
  313   2H5*    U  30          2H5*        U  30  33.048  -9.666   6.255
  314    H4*    U  30           H4*        U  30  35.665  -8.891   4.942
  315    H3*    U  30           H3*        U  30  34.891 -10.039   7.622
  316    H2*    U  30           H2*        U  30  36.469  -8.699   8.748
  317   2HO*    U  30          2HO*        U  30  37.857  -9.019   6.508
  318    H1*    U  30           H1*        U  30  36.126  -6.384   7.350
  319    H3     U  30           H3         U  30  34.276  -6.279  11.629
  320    H5     U  30           H5         U  30  31.168  -7.192   8.932
  321    H6     U  30           H6         U  30  32.846  -7.523   7.211
  322   1H5*    G  31          1H5*        G  31  38.619 -12.791   7.818
  323   2H5*    G  31          2H5*        G  31  37.704 -14.122   8.556
  324    H4*    G  31           H4*        G  31  39.461 -12.774   9.974
  325    H3*    G  31           H3*        G  31  36.714 -13.615  10.930
  326    H2*    G  31           H2*        G  31  37.185 -12.600  13.012
  327   2HO*    G  31          2HO*        G  31  39.696 -13.301  12.420
  328    H1*    G  31           H1*        G  31  38.456 -10.365  12.021
  329    H8     G  31           H8         G  31  35.589 -10.848   9.691
  330    H1     G  31           H1         G  31  33.709  -8.593  15.383
  331   1H2     G  31          1H2         G  31  35.360  -8.774  16.856
  332   2H2     G  31          2H2         G  31  36.922  -9.441  16.440
  333   1H5*    U  32          1H5*        U  32  39.125 -15.690  13.969
  334   2H5*    U  32          2H5*        U  32  38.207 -17.159  14.353
  335    H4*    U  32           H4*        U  32  38.545 -15.306  16.178
  336    H3*    U  32           H3*        U  32  35.933 -16.727  15.616
  337    H2*    U  32           H2*        U  32  34.947 -15.470  17.338
  338   2HO*    U  32          2HO*        U  32  36.945 -15.953  18.690
  339    H1*    U  32           H1*        U  32  36.436 -13.120  16.950
  340    H3     U  32           H3         U  32  31.892 -12.393  16.457
  341    H5     U  32           H5         U  32  33.368 -13.463  12.656
  342    H6     U  32           H6         U  32  35.464 -14.078  13.714
  343   1H5*    G  33          1H5*        G  33  34.929 -19.544  19.449
  344   2H5*    G  33          2H5*        G  33  33.499 -19.114  18.489
  345    H4*    G  33           H4*        G  33  34.474 -18.008  21.071
  346    H3*    G  33           H3*        G  33  31.710 -18.529  19.844
  347    H2*    G  33           H2*        G  33  30.819 -16.807  21.206
  348   2HO*    G  33          2HO*        G  33  32.344 -17.563  23.020
  349    H1*    G  33           H1*        G  33  32.742 -14.970  20.787
  350    H8     G  33           H8         G  33  32.892 -16.576  17.489
  351    H1     G  33           H1         G  33  27.368 -13.428  18.239
  352   1H2     G  33          1H2         G  33  27.081 -12.886  20.374
  353   2H2     G  33          2H2         G  33  28.248 -13.294  21.611
  354   1H5*    C  34          1H5*        C  34  30.262 -18.712  23.640
  355   2H5*    C  34          2H5*        C  34  29.512 -20.308  23.833
  356    H4*    C  34           H4*        C  34  27.916 -18.476  24.287
  357    H3*    C  34           H3*        C  34  27.354 -20.188  21.844
  358    H2*    C  34           H2*        C  34  25.413 -18.940  21.444
  359   2HO*    C  34          2HO*        C  34  24.315 -18.846  23.288
  360    H1*    C  34           H1*        C  34  26.391 -16.479  22.373
  361   1H4     C  34          1H4         C  34  26.213 -16.207  15.999
  362   2H4     C  34          2H4         C  34  27.796 -16.947  15.923
  363    H5     C  34           H5         C  34  28.966 -17.765  17.872
  364    H6     C  34           H6         C  34  28.854 -18.065  20.304
  365   1H5*    G  35          1H5*        G  35  23.536 -21.468  23.217
  366   2H5*    G  35          2H5*        G  35  23.603 -23.145  22.639
  367    H4*    G  35           H4*        G  35  22.043 -21.422  21.442
  368    H3*    G  35           H3*        G  35  23.900 -23.321  19.987
  369    H2*    G  35           H2*        G  35  23.059 -22.490  17.951
  370   2HO*    G  35          2HO*        G  35  20.802 -22.584  18.798
  371    H1*    G  35           H1*        G  35  22.801 -19.833  18.779
  372    H8     G  35           H8         G  35  26.180 -20.866  19.929
  373    H1     G  35           H1         G  35  25.933 -20.113  13.577
  374   1H2     G  35          1H2         G  35  23.827 -19.952  12.913
  375   2H2     G  35          2H2         G  35  22.480 -20.033  14.027
  376   1H5*    C  36          1H5*        C  36  19.505 -24.963  18.900
  377   2H5*    C  36          2H5*        C  36  19.926 -26.641  18.502
  378    H4*    C  36           H4*        C  36  18.695 -25.179  16.731
  379    H3*    C  36           H3*        C  36  21.139 -26.878  16.109
  380    H2*    C  36           H2*        C  36  20.857 -26.255  13.827
  381   2HO*    C  36          2HO*        C  36  18.672 -24.634  14.061
  382    H1*    C  36           H1*        C  36  20.443 -23.604  14.330
  383   1H4     C  36          1H4         C  36  26.761 -24.359  13.641
  384   2H4     C  36          2H4         C  36  26.910 -24.558  15.373
  385    H5     C  36           H5         C  36  25.011 -24.681  16.855
  386    H6     C  36           H6         C  36  22.564 -24.649  16.992
  387   1H5*    C  37          1H5*        C  37  18.328 -29.890  14.357
  388   2H5*    C  37          2H5*        C  37  19.250 -31.400  14.495
  389    H4*    C  37           H4*        C  37  19.055 -30.149  12.180
  390    H3*    C  37           H3*        C  37  21.669 -31.339  13.237
  391    H2*    C  37           H2*        C  37  22.640 -30.692  11.166
  392   2HO*    C  37          2HO*        C  37  21.182 -31.333   9.656
  393    H1*    C  37           H1*        C  37  21.329 -28.256  10.990
  394   1H4     C  37          1H4         C  37  27.276 -27.655  13.454
  395   2H4     C  37          2H4         C  37  26.533 -27.459  15.026
  396    H5     C  37           H5         C  37  24.161 -27.626  15.392
  397    H6     C  37           H6         C  37  22.000 -28.176  14.370
  398   1H5*    C  38          1H5*        C  38  20.909 -32.409   8.132
  399   2H5*    C  38          2H5*        C  38  20.695 -34.035   8.816
  400    H4*    C  38           H4*        C  38  22.251 -33.936   6.846
  401    H3*    C  38           H3*        C  38  23.111 -34.970   9.531
  402    H2*    C  38           H2*        C  38  25.326 -35.194   8.883
  403   2HO*    C  38          2HO*        C  38  24.226 -35.929   6.585
  404    H1*    C  38           H1*        C  38  25.505 -33.043   7.133
  405   1H4     C  38          1H4         C  38  28.241 -30.761  12.386
  406   2H4     C  38          2H4         C  38  26.723 -30.804  13.255
  407    H5     C  38           H5         C  38  24.684 -31.676  12.305
  408    H6     C  38           H6         C  38  23.664 -32.687  10.317
  409    H3T    C  38           H3T        C  38  23.386 -36.658   7.542