*HEADER    RNA                                     05-APR-01   1IE2              
*TITLE     SOLUTION STRUCTURE OF AN IN VITRO SELECTED RNA WHICH IS               
*TITLE    2 SEQUENCE SPECIFICALLY RECOGNIZED BY RBD12 OF HAMSTER                 
*TITLE    3 NUCLEOLIN.SNRE (ANTI)                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*CP*CP*GP*AP*AP*AP*UP*CP*CP*CP*GP*AP*AP*GP*UP*AP*GP          
*COMPND   4 *GP*CP*C)-3';                                                        
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: IN VITRO SELECTED RNA APTAMER WHICH IS                
*COMPND   8 BOUND BY RBD12 OF HAMSTER NUCLEOLIN.                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: IN VITRO SELECTION USING MILLIGAN TEMPLATES.          
*KEYWDS    EUCARYOTIC LOOP E MOTIF A FORM RNA FLEXIBLE LOOPS                     
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    P.BOUVET, F.H.-T.ALLAIN, L.D.FINGER, T.DIECKMANN, J.FEIGON            
*REVDAT   1   20-JUN-01 1IE2    0                                                
!RNA only
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assi ( resid 1 and name H2'  ) ( resid 1 and name H8  ) 3.00 3.00 0.00
assi ( resid 1 and name H3'  ) ( resid 1 and name H8  ) 4.00 4.00 0.00
assi ( resid 1 and name H5'*  ) ( resid 1 and name H8  ) 5.00 5.00 0.00
assi ( resid 1 and name H8  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
assi ( resid 1 and name H1'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 1 and name H2'  ) ( resid 2 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 1 and name H3'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 2 and name H1'  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
assi ( resid 2 and name H1'  ) ( resid 3 and name H5  ) 5.50 5.50 0.00
assi ( resid 2 and name H1'  ) ( resid 3 and name H6  ) 5.00 5.00 0.00
assi ( resid 2 and name H1'  ) ( resid 3 and name H1'  ) 5.50 5.50 0.00
assi ( resid 2 and name H2'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 2 and name H2'  ) ( resid 3 and name H6  ) 3.00 3.00 0.00
assi ( resid 2 and name H2'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 2 and name H3'  ) ( resid 2 and name H8  ) 4.00 4.00 0.00
assi ( resid 2 and name H3'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 2 and name H3'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 2 and name H4'  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
assi ( resid 2 and name H5'*  ) ( resid 2 and name H8  ) 5.00 5.00 0.00
assi ( resid 2 and name H8   ) ( resid 3 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 3 and name H6   ) ( resid 4 and name H6  ) 5.50 5.50 0.00 !728
assi ( resid 3 and name H1'  ) ( resid 3 and name H5  ) 5.50 5.50 0.00
assi ( resid 3 and name H1'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H1'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H1'  ) 3.00 3.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H2'  ) ( resid 3 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H2'  ) ( resid 4 and name H6  ) 3.00 3.00 0.00
assi ( resid 3 and name H2'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H3'  ) ( resid 3 and name H6  ) 4.00 4.00 0.00
assi ( resid 3 and name H3'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 3 and name H3'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 3 and name H5'*  ) ( resid 3 and name H6  ) 5.00 5.00 0.00 !728
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assi ( resid 4 and name H1'  ) ( resid 4 and name H6  ) 4.00 4.00 0.00
assi ( resid 4 and name H1'  ) ( resid 5 and name H8  ) 5.00 5.00 0.00
assi ( resid 4 and name H1'  ) ( resid 5 and name H1'  ) 5.50 5.50 0.00
assi ( resid 4 and name H1'  ) ( resid 5 and name H2'  ) 5.50 5.50 0.00
assi ( resid 4 and name H2'  ) ( resid 4 and name H6  ) 5.00 5.00 0.00
assi ( resid 4 and name H2'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 4 and name H2'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 4 and name H3'  ) ( resid 4 and name H6  ) 4.00 4.00 0.00
assi ( resid 4 and name H3'  ) ( resid 4 and name H5  ) 5.00 5.00 0.00
assi ( resid 4 and name H3'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 4 and name H4'  ) ( resid 4 and name H6  ) 5.50 5.50 0.00
assi ( resid 4 and name H5'*  ) ( resid 4 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 5 and name H8  ) ( resid 6 and name H8  ) 7.00 7.00 0.00 !217
assi ( resid 5 and name H1'  ) ( resid 5 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 5 and name H1'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00 
assi ( resid 5 and name H1'  ) ( resid 6 and name H1'  ) 5.50 5.50 0.00
assi ( resid 5 and name H1'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 5 and name H2'  ) ( resid 5 and name H8  ) 4.00 4.00 0.00
assi ( resid 5 and name H2'  ) ( resid 6 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 5 and name H3'  ) ( resid 5 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 5 and name H4'  ) ( resid 5 and name H8  ) 5.00 5.00 0.00
assi ( resid 5 and name H5'*  ) ( resid 5 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 6 and name H1'  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 6 and name H2'  ) 5.00 5.00 0.00
assi ( resid 6 and name H2  ) ( resid 7 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 6 and name H2  ) ( resid 7 and name H8  ) 5.50 5.50 0.00 !217
assi ( resid 6 and name H2  ) ( resid 7 and name H1'  ) 3.00 3.00 0.00 !504
assi ( resid 6 and name H2  ) ( resid 7 and name H2'  ) 5.00 5.00 0.00 !504
assi ( resid 6 and name H2  ) ( resid 18 and name H2  ) 4.50 4.50 0.00
assi ( resid 6 and name H2  ) ( resid 18 and name H1'  ) 5.00 5.00 0.00
assi ( resid 6 and name H8  ) ( resid 7 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H8  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 6 and name H8  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 6 and name H1'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H1'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 
assi ( resid 6 and name H1'  ) ( resid 7 and name H1'  ) 5.50 5.50 0.00
assi ( resid 6 and name H1'  ) ( resid 18 and name H2  ) 4.00 4.00 0.00 !728
assi ( resid 6 and name H2'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H2'  ) ( resid 7 and name H8  ) 3.00 3.00 0.00 !504
assi ( resid 6 and name H2'  ) ( resid 7 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 6 and name H2'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00
assi ( resid 6 and name H3'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00 !217
assi ( resid 6 and name H3'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 6 and name H4'  ) ( resid 6 and name H8  ) 5.00 5.00 0.00
assi ( resid 6 and name H4'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 6 and name H5'*  ) ( resid 6 and name H8  ) 3.50 3.50 0.00 !728
assi ( resid 6 and name H5'*  ) ( resid 15 and name H2  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 7 and name H2  ) ( resid 8 and name H8  ) 5.50 5.50 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H1'  ) 4.50 4.50 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H2'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 8 and name H4'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H8  ) ( resid 8 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 7 and name H2  ) ( resid 18 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H1'  ) ( resid 7 and name H2  ) 5.00 5.00 0.00
assi ( resid 7 and name H1'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00
assi ( resid 7 and name H1'  ) ( resid 8 and name H8  ) 5.00 5.00 0.00
!assi ( resid 7 and name H1'  ) ( resid 8 and name H1'  ) 5.50 5.50 0.00 !728
!assi ( resid 7 and name H1'  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 7 and name H2'  ) ( resid 7 and name H2  ) 6.00 6.00 0.00 !728
assi ( resid 7 and name H2'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 7 and name H2'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00
assi ( resid 7 and name H3'  ) ( resid 7 and name H8  ) 4.00 4.00 0.00 !504
assi ( resid 7 and name H3'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00
assi ( resid 7 and name H4'  ) ( resid 7 and name H8  ) 5.00 5.00 0.00
assi ( resid 7 and name H5'*  ) ( resid 7 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 9 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 10 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 13 and name H1'  ) 6.00 6.00 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2  ) ( resid 14 and name H1'  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 14 and name H4'  ) 5.50 5.50 0.00 !728
!assi ( resid 8 and name H2  ) ( resid 15 and name H8  ) 5.50 5.50 0.00 !728
assi ( resid 8 and name H8  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H8  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H8  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H1'  ) ( resid 8 and name H2  ) 5.00 5.00 0.00
assi ( resid 8 and name H1'  ) ( resid 8 and name H8  ) 4.00 4.00 0.00
assi ( resid 8 and name H1'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00
assi ( resid 8 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2'  ) ( resid 8 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H2'  ) ( resid 14 and name H2  ) 3.00 3.00 0.00 !728
assi ( resid 8 and name H2'  ) ( resid 8 and name H8  ) 3.00 3.00 0.00
assi ( resid 8 and name H2'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H2'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H3'  ) ( resid 8 and name H8  ) 3.50 3.50 0.00 !504
assi ( resid 8 and name H3'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H3'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 8 and name H3'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 8 and name H4'  ) ( resid 8 and name H8  ) 5.00 5.00 0.00
assi ( resid 8 and name H5'*  ) ( resid 8 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H6  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H6  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 9 and name H5  ) ( resid 10 and name H6  ) 6.00 6.00 0.00 !728
assi ( resid 9 and name H5  ) ( resid 14 and name H2  ) 7.00 7.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 9 and name H5  ) 5.50 5.50 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 9 and name H6  ) 3.50 3.50 0.00 !728
!assi ( resid 9 and name H1'  ) ( resid 10 and name H1'  ) 6.00 6.00 0.00 !407
!assi ( resid 9 and name H1'  ) ( resid 10 and name H4'  ) 5.00 5.00 0.00 !407
!assi ( resid 9 and name H1'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H2'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H2'  ) ( resid 9 and name H6  ) 3.00 3.00 0.00 !728
!assi ( resid 9 and name H2'  ) ( resid 10 and name H5  ) 4.00 4.00 0.00 !728
!assi ( resid 9 and name H2'  ) ( resid 10 and name H6  ) 3.00 3.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 9 and name H6  ) 4.00 4.00 0.00 !504
assi ( resid 9 and name H3'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 9 and name H3'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H4'  ) ( resid 9 and name H6  ) 5.00 5.00 0.00
!assi ( resid 9 and name H4'  ) ( resid 9 and name H5  ) 5.00 5.00 0.00 !728
!assi ( resid 9 and name H4'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
!assi ( resid 9 and name H5'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
assi ( resid 9 and name H5'*  ) ( resid 9 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 9 and name H5'*  ) ( resid 9 and name H5  ) 6.00 6.00 0.00 !728
!assi ( resid 9 and name H5''  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
!assi ( resid 10 and name H5  ) ( resid 11 and name H5  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H5  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 10 and name H6  ) ( resid 11 and name H5  ) 4.00 4.00 0.00 !728over
!assi ( resid 10 and name H1'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H1'  ) ( resid 10 and name H6  ) 3.50 3.50 0.00 !728
!assi ( resid 10 and name H1'  ) ( resid 11 and name H5  ) 7.00 3.50 0.00 !728
assi ( resid 10 and name H1'  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728 
!assi ( resid 10 and name H1'  ) ( resid 11 and name H1'  ) 7.00 7.00 0.00 !728 
assi ( resid 10 and name H2'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H2'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
!assi ( resid 10 and name H2'  ) ( resid 11 and name H2'  ) 5.00 5.00 0.00 !225
!assi ( resid 10 and name H2'  ) ( resid 11 and name H3'  ) 5.00 5.00 0.00 !225
assi ( resid 10 and name H2'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H2'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 10 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 10 and name H3'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728 
!assi ( resid 10 and name H4'  ) ( resid 10 and name H5  ) 5.50 5.50 0.00 !217
assi ( resid 10 and name H5'*  ) ( resid 10 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 10 and name H5'*  ) ( resid 10 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H6  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H5  ) ( resid 12 and name H6  ) 6.00 6.00 0.00 !728 
assi ( resid 11 and name H6  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H6  ) ( resid 13 and name H1'  ) 7.00 7.00 0.00 !728 
assi ( resid 11 and name H5  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728 
assi ( resid 11 and name H1'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728 
!assi ( resid 11 and name H2'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 11 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 11 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H3'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 11 and name H4'  ) ( resid 12 and name H6  ) 7.00 7.00 0.00 !728
assi ( resid 11 and name H5'*  ) ( resid 11 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H5'*  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 11 and name H1'  ) ( resid 12 and name H5'*  ) 6.00 6.00 0.00 !728 
assi ( resid 12 and name H1'  ) ( resid 12 and name H5  ) 6.00 6.00 0.00 !728
assi ( resid 12 and name H1'  ) ( resid 12 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 12 and name H1'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 12 and name H1'  ) ( resid 13 and name H3'  ) 5.50 5.50 0.00 !223
!assi ( resid 12 and name H1'  ) ( resid 13 and name H4'  ) 5.50 5.50 0.00 !223
assi ( resid 12 and name H1'  ) ( resid 13 and name H5'*  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 12 and name H6  ) 3.50 3.50 0.00 !728
assi ( resid 12 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 12 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H3'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H4'  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
!assi ( resid 12 and name H4'  ) ( resid 13 and name H1'  ) 7.00 7.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H2'  ) 6.00 6.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H3'  ) 6.00 6.00 0.00 !219
!assi ( resid 12 and name H4'  ) ( resid 13 and name H4'  ) 5.00 5.00 0.00 !219
assi ( resid 12 and name H5'*  ) ( resid 12 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H5'*  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 12 and name H5'*  ) ( resid 13 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 13 and name H8  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H8  ) ( resid 14 and name H2'  ) 7.00 7.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 13 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H1'  ) ( resid 14 and name H2'  ) 7.00 7.00 0.00 !728
assi ( resid 13 and name H2'  ) ( resid 13 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 13 and name H2'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H3'  ) ( resid 13 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H3'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 13 and name H5'*  ) ( resid 14 and name H8  ) 6.00 6.00 0.00 !728
!assi ( resid 14 and name H8  ) ( resid 15 and name H8  ) 6.00 6.00 0.00 !728 over
assi ( resid 14 and name H2  ) ( resid 15 and name H8  ) 6.00 6.00 0.00 !728
assi ( resid 14 and name H1'  ) ( resid 14 and name H2  ) 5.00 5.00 0.00 !728
!assi ( resid 14 and name H1'  ) ( resid 15 and name H2  ) 5.50 5.50 0.00
assi ( resid 14 and name H1'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !401
assi ( resid 14 and name H1'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !401
assi ( resid 14 and name H2'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 14 and name H2'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
!assi ( resid 14 and name H2'  ) ( resid 15 and name H3'  ) 5.00 5.00 0.00 !505
assi ( resid 14 and name H3'  ) ( resid 14 and name H8  ) 4.00 4.00 0.00 !505
assi ( resid 14 and name H3'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 14 and name H3'  ) ( resid 15 and name H1'  ) 6.00 6.00 0.00 !728
assi ( resid 14 and name H4'  ) ( resid 14 and name H8  ) 5.00 5.00 0.00
assi ( resid 14 and name H5'*  ) ( resid 14 and name H8  ) 5.00 5.00 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 16 and name H1'  ) 6.00 6.00 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 16 and name H2'  ) 5.50 5.50 0.00
assi ( resid 15 and name H2  ) ( resid 17 and name H5  ) 5.50 5.50 0.00 !728
!assi ( resid 15 and name H2  ) ( resid 17 and name H6  ) 6.00 6.00 0.00 !728
!assi ( resid 15 and name H8  ) ( resid 16 and name H1'  ) 6.50 6.50 0.00 !505
assi ( resid 15 and name H8  ) ( resid 17 and name H5  ) 6.00 6.00 0.00 !428
assi ( resid 15 and name H8  ) ( resid 17 and name H1'  ) 3.00 3.00 0.00 !505 short
assi ( resid 15 and name H8  ) ( resid 17 and name H2'  ) 5.00 5.00 0.00 !505 
assi ( resid 15 and name H1'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !402
assi ( resid 15 and name H1'  ) ( resid 15 and name H2  ) 5.00 5.00 0.00 !405
assi ( resid 15 and name H1'  ) ( resid 16 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H1'  ) ( resid 16 and name H4'  ) 3.00 3.00 0.00 !505
assi ( resid 15 and name H1'  ) ( resid 16 and name H5'*  ) 6.00 6.00 0.00 !728
assi ( resid 15 and name H1'  ) ( resid 17 and name H5  ) 3.50 3.50 0.00  !505
assi ( resid 15 and name H1'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !406
assi ( resid 15 and name H1'  ) ( resid 17 and name H1'  ) 5.00 5.00 0.00 !505
assi ( resid 15 and name H2'  ) ( resid 15 and name H2  ) 7.00 7.00 0.00 !728
assi ( resid 15 and name H2'  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H3'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H4'  ) ( resid 17 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 15 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 15 and name H5'*  ) ( resid 17 and name H1'  ) 3.00 3.00 0.00 !728
assi ( resid 16 and name H8  ) ( resid 17 and name H5  ) 6.00 6.00 0.00
assi ( resid 16 and name H1'  ) ( resid 16 and name H8  ) 4.00 4.00 0.00 !405
!assi ( resid 16 and name H1'  ) ( resid 17 and name H5  ) 2.50 2.50 0.00 !728
assi ( resid 16 and name H1'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !405
!assi ( resid 16 and name H1'  ) ( resid 17 and name H1'  ) 6.50 6.50 0.00
assi ( resid 16 and name H2'  ) ( resid 16 and name H8  ) 3.50 3.50 0.00
!assi ( resid 16 and name H2'  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H3'  ) ( resid 16 and name H8  ) 5.00 5.00 0.00
assi ( resid 16 and name H3'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H4'  ) ( resid 16 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H4'  ) ( resid 17 and name H6  ) 3.50 3.50 0.00 !406
assi ( resid 16 and name H4'  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H5'*  ) ( resid 16 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H1'  ) ( resid 17 and name H5  ) 5.50 5.50 0.00 !220
assi ( resid 17 and name H1'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !508
assi ( resid 17 and name H1'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 17 and name H2'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H2'  ) ( resid 18 and name H8  ) 3.00 3.00 0.00 !728
assi ( resid 17 and name H3'  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H3'  ) ( resid 18 and name H8  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H4'  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H5'*  ) ( resid 17 and name H6  ) 4.00 4.00 0.00 !728
assi ( resid 17 and name H6  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H2  ) ( resid 19 and name H1'  ) 4.00 4.00 0.00 !728
assi ( resid 18 and name H2  ) ( resid 19 and name H4'  ) 5.00 5.00 0.00 !406
!assi ( resid 18 and name H2  ) ( resid 19 and name H3'  ) 6.00 6.00 0.00 !406
assi ( resid 18 and name H8  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 18 and name H1'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 18 and name H1'  ) ( resid 18 and name H2  ) 5.50 5.50 0.00
assi ( resid 18 and name H1'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 18 and name H2'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !505
assi ( resid 18 and name H2'  ) ( resid 18 and name H2  ) 6.00 6.00 0.00 !505
assi ( resid 18 and name H2'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 18 and name H3'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H3'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 18 and name H4'  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 18 and name H4'  ) ( resid 19 and name H8  ) 5.50 5.50 0.00
assi ( resid 18 and name H5'*  ) ( resid 18 and name H8  ) 5.00 5.00 0.00 !406
assi ( resid 19 and name H8  ) ( resid 20 and name H8  ) 5.50 5.50 0.00
assi ( resid 19 and name H1'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00
assi ( resid 19 and name H1'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00
assi ( resid 19 and name H2'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00
assi ( resid 19 and name H2'  ) ( resid 20 and name H8  ) 3.00 3.00 0.00
assi ( resid 19 and name H3'  ) ( resid 19 and name H8  ) 3.50 3.50 0.00
assi ( resid 19 and name H3'  ) ( resid 20 and name H8  ) 3.50 3.50 0.00
assi ( resid 19 and name H4'  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 19 and name H5'*  ) ( resid 19 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 20 and name H8  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H8  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H1'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00 !407
assi ( resid 20 and name H1'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00
assi ( resid 20 and name H1'  ) ( resid 21 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 20 and name H2'  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H2'  ) ( resid 21 and name H6  ) 3.00 3.00 0.00 !407 free
assi ( resid 20 and name H2'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H3'  ) ( resid 20 and name H8  ) 4.00 4.00 0.00 !407
assi ( resid 20 and name H3'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H3'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !407 free
assi ( resid 20 and name H4'  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 20 and name H5'*  ) ( resid 20 and name H8  ) 5.00 5.00 0.00 !407
assi ( resid 21 and name H5  ) ( resid 22 and name H5  ) 5.00 5.00 0.00
assi ( resid 21 and name H1'  ) ( resid 21 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 21 and name H1'  ) ( resid 21 and name H5  ) 5.00 5.00 0.00 !728
assi ( resid 21 and name H1'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 21 and name H1'  ) ( resid 22 and name H5  ) 5.00 5.00 0.00
assi ( resid 21 and name H2'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H2'  ) ( resid 22 and name H6  ) 3.00 3.00 0.00 !407 free
assi ( resid 21 and name H3'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H3'  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H4'  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 21 and name H5'*  ) ( resid 21 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 22 and name H1'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H2'  ) ( resid 22 and name H5  ) 6.00 6.00 0.00
assi ( resid 22 and name H2'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H3'  ) ( resid 22 and name H5  ) 6.00 6.00 0.00
assi ( resid 22 and name H3'  ) ( resid 22 and name H6  ) 4.00 4.00 0.00 !407 free
assi ( resid 22 and name H4'  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free
assi ( resid 22 and name H5'*  ) ( resid 22 and name H6  ) 5.00 5.00 0.00 !407 free

!RNA only NOE from H2O spectrum
assi ( resid 1 and name H1  ) ( resid 2 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 1 and name H1  ) ( resid 22 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 1 and name H1  ) ( resid 22 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 3 and name H1'  ) 5.00 5.00 0.00 !728
assi ( resid 2 and name H1  ) ( resid 20 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 2 and name H1  ) ( resid 21 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 21 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 22 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 2 and name H1  ) ( resid 22 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 3 and name H2'  ) 6.00 6.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 4 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 4 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 21 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 20 and name H1  ) ( resid 19 and name H1  ) 5.00 5.00 0.00 !728
assi ( resid 19 and name H1  ) ( resid 4 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 4 and name H5  ) 6.00 6.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 4 and name H2'  ) 6.00 6.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 20 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 19 and name H1  ) ( resid 5 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 16 and name H1'  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 17 and name H5  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 17 and name H6  ) 5.00 5.00 0.00 !405
assi ( resid 5 and name H1  ) ( resid 19 and name H1  ) 6.00 6.00 0.00 !405
assi ( resid 16 and name H1  ) ( resid 5 and name H2'  ) 4.00 4.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 5 and name H3'  ) 4.00 4.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 5 and name H8  ) 5.00 5.00 0.00 !728
assi ( resid 16 and name H1  ) ( resid 15 and name H2  ) 5.00 5.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 6 and name H8  ) 3.50 3.50 0.00 !728
assi ( resid 17 and name H3  ) ( resid 6 and name HN'*  ) 4.00 4.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H2  ) 6.00 6.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H8  ) 5.00 5.00 0.00 !405
assi ( resid 17 and name H3  ) ( resid 15 and name H5'*  ) 6.00 6.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 17 and name H2'  ) 6.00 6.00 0.00 !728
assi ( resid 17 and name H3  ) ( resid 18 and name H1'  ) 5.00 5.00 0.00 !405

!Hbond RNA
assi ( resid 1 and name N1  ) ( resid 22 and name N3  ) 3.30 3.30 0.00
assi ( resid 1 and name O6  ) ( resid 22 and name HN''  ) 2.30 2.30 0.00
assi ( resid 1 and name O6  ) ( resid 22 and name N4  ) 3.30 3.30 0.00
assi ( resid 1 and name HN''  ) ( resid 22 and name O2  ) 2.30 2.30 0.00
assi ( resid 1 and name N2  ) ( resid 22 and name O2  ) 3.30 3.30 0.00
assi ( resid 2 and name H1  ) ( resid 21 and name N3  ) 2.30 2.30 0.00
assi ( resid 2 and name N1  ) ( resid 21 and name N3  ) 3.30 3.30 0.00
assi ( resid 2 and name O6  ) ( resid 21 and name HN''  ) 2.30 2.30 0.00
assi ( resid 2 and name O6  ) ( resid 21 and name N4  ) 3.30 3.30 0.00
assi ( resid 2 and name HN''  ) ( resid 21 and name O2  ) 2.30 2.30 0.00
assi ( resid 2 and name N2  ) ( resid 21 and name O2  ) 3.30 3.30 0.00
assi ( resid 3 and name N3  ) ( resid 20 and name H1  ) 2.30 2.30 0.00
assi ( resid 3 and name N3  ) ( resid 20 and name N1  ) 3.30 3.30 0.00
assi ( resid 3 and name HN''  ) ( resid 20 and name O6  ) 2.30 2.30 0.00
assi ( resid 3 and name N4  ) ( resid 20 and name O6  ) 3.30 3.30 0.00
assi ( resid 3 and name O2  ) ( resid 20 and name HN''  ) 2.30 2.30 0.00
assi ( resid 3 and name O2  ) ( resid 20 and name N2  ) 3.30 3.30 0.00
assi ( resid 4 and name N3  ) ( resid 19 and name H1  ) 2.30 2.30 0.00
assi ( resid 4 and name N3  ) ( resid 19 and name N1  ) 3.30 3.30 0.00
assi ( resid 4 and name HN''  ) ( resid 19 and name O6  ) 2.30 2.30 0.00
assi ( resid 4 and name N4  ) ( resid 19 and name O6  ) 3.30 3.30 0.00
assi ( resid 4 and name O2  ) ( resid 19 and name HN''  ) 2.30 2.30 0.00
assi ( resid 4 and name O2  ) ( resid 19 and name N2  ) 3.30 3.30 0.00
assi ( resid 5 and name N3  ) ( resid 18 and name HN'  ) 2.30 2.30 0.00
assi ( resid 5 and name N3  ) ( resid 18 and name N6  ) 3.30 3.30 0.00
assi ( resid 5 and name HN'  ) ( resid 18 and name N7  ) 2.30 2.30 0.00
assi ( resid 5 and name N2  ) ( resid 18 and name N7  ) 3.30 3.30 0.00
assi ( resid 6 and name N7  ) ( resid 17 and name H3  ) 2.30 2.30 0.00
assi ( resid 6 and name N7  ) ( resid 17 and name N3  ) 3.30 3.30 0.00
assi ( resid 6 and name HN'  ) ( resid 17 and name O2  ) 2.30 2.30 0.00
assi ( resid 6 and name N6  ) ( resid 17 and name O2  ) 3.30 3.30 0.00
assi ( resid 16 and name HN'  ) ( resid 17 and name O4  ) 2.30 2.30 0.00
assi ( resid 16 and name N2  ) ( resid 17 and name O4  ) 3.30 3.30 0.00
assi ( resid 7 and name N7  ) ( resid 15 and name HN'  ) 2.30 2.30 0.00
assi ( resid 7 and name N7  ) ( resid 15 and name N6  ) 3.30 3.30 0.00
assi ( resid 7 and name HN'  ) ( resid 15 and name N7  ) 2.30 2.30 0.00
assi ( resid 7 and name N6  ) ( resid 15 and name N7  ) 3.30 3.30 0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -9.148 -19.481 -12.349
    2   2H5*    G   1          2H5*        G   1 -10.281 -18.391 -11.526
    3    H4*    G   1           H4*        G   1  -8.442 -19.264 -10.045
    4    H3*    G   1           H3*        G   1  -9.001 -16.349 -10.518
    5    H2*    G   1           H2*        G   1  -6.914 -15.690  -9.805
    6   2HO*    G   1          2HO*        G   1  -6.650 -17.597  -7.783
    7    H1*    G   1           H1*        G   1  -5.872 -18.437  -9.363
    8    H8     G   1           H8         G   1  -5.714 -16.254 -12.523
    9    H1     G   1           H1         G   1  -0.361 -16.245  -9.060
   10   1H2     G   1          1H2         G   1  -2.218 -18.106  -6.771
   11   2H2     G   1          2H2         G   1  -0.687 -17.361  -7.170
   12    H5T    G   1           H5T        G   1  -8.533 -16.775 -12.409
   13   1H5*    G   2          1H5*        G   2  -9.819 -14.474  -5.566
   14   2H5*    G   2          2H5*        G   2  -8.564 -14.444  -6.821
   15    H4*    G   2           H4*        G   2  -8.371 -15.796  -4.101
   16    H3*    G   2           H3*        G   2  -7.339 -13.202  -5.262
   17    H2*    G   2           H2*        G   2  -5.222 -13.515  -4.258
   18   2HO*    G   2          2HO*        G   2  -5.558 -15.775  -2.824
   19    H1*    G   2           H1*        G   2  -4.940 -16.191  -4.670
   20    H8     G   2           H8         G   2  -6.477 -14.831  -7.792
   21    H1     G   2           H1         G   2  -0.251 -13.515  -7.359
   22   1H2     G   2          1H2         G   2  -0.567 -14.587  -4.059
   23   2H2     G   2          2H2         G   2   0.478 -13.958  -5.313
   24   1H5*    C   3          1H5*        C   3  -6.073 -13.033  -1.411
   25   2H5*    C   3          2H5*        C   3  -6.257 -11.426  -0.680
   26    H4*    C   3           H4*        C   3  -3.859 -12.250  -0.913
   27    H3*    C   3           H3*        C   3  -4.917  -9.630  -1.951
   28    H2*    C   3           H2*        C   3  -3.124  -9.313  -3.364
   29   2HO*    C   3          2HO*        C   3  -0.983  -9.653  -2.559
   30    H1*    C   3           H1*        C   3  -1.876 -11.958  -2.887
   31   1H4     C   3          1H4         C   3  -2.778 -11.028  -9.364
   32   2H4     C   3          2H4         C   3  -1.087 -10.678  -9.077
   33    H5     C   3           H5         C   3  -4.348 -11.506  -7.588
   34    H6     C   3           H6         C   3  -4.642 -11.662  -5.170
   35   1H5*    C   4          1H5*        C   4   0.235 -10.674  -0.627
   36   2H5*    C   4          2H5*        C   4   0.606 -10.104   1.014
   37    H4*    C   4           H4*        C   4   1.901  -8.564  -0.024
   38    H3*    C   4           H3*        C   4  -0.926  -7.541  -0.419
   39    H2*    C   4           H2*        C   4  -0.356  -6.169  -2.119
   40   2HO*    C   4          2HO*        C   4   2.114  -5.430  -1.893
   41    H1*    C   4           H1*        C   4   2.314  -7.258  -2.629
   42   1H4     C   4          1H4         C   4  -1.970  -7.506  -7.678
   43   2H4     C   4          2H4         C   4  -0.373  -7.312  -8.368
   44    H5     C   4           H5         C   4  -2.362  -7.701  -5.290
   45    H6     C   4           H6         C   4  -1.322  -7.823  -3.107
   46   1H5*    G   5          1H5*        G   5   4.144  -4.559   0.665
   47   2H5*    G   5          2H5*        G   5   2.514  -4.079   0.154
   48    H4*    G   5           H4*        G   5   4.929  -4.726  -1.543
   49    H3*    G   5           H3*        G   5   2.900  -2.477  -1.300
   50    H2*    G   5           H2*        G   5   3.185  -1.994  -3.593
   51   2HO*    G   5          2HO*        G   5   5.516  -3.654  -3.548
   52    H1*    G   5           H1*        G   5   3.517  -4.613  -4.490
   53    H8     G   5           H8         G   5   0.560  -4.185  -2.142
   54    H1     G   5           H1         G   5  -0.764  -2.448  -8.128
   55   1H2     G   5          1H2         G   5   2.657  -2.813  -8.672
   56   2H2     G   5          2H2         G   5   1.089  -2.406  -9.336
   57   1H5*    A   6          1H5*        A   6   6.431   1.480  -1.727
   58   2H5*    A   6          2H5*        A   6   5.918   1.411  -3.426
   59    H4*    A   6           H4*        A   6   7.681  -0.588  -1.959
   60    H3*    A   6           H3*        A   6   8.129   1.584  -4.008
   61    H2*    A   6           H2*        A   6   9.581   0.227  -5.269
   62   2HO*    A   6          2HO*        A   6  10.246  -1.891  -4.191
   63    H1*    A   6           H1*        A   6   8.336  -2.209  -4.931
   64    H8     A   6           H8         A   6   5.391  -0.408  -5.794
   65   1H6     A   6          1H6         A   6   6.027   0.468 -10.494
   66   2H6     A   6          2H6         A   6   7.425   0.407 -11.544
   67    H2     A   6           H2         A   6  10.918  -0.810  -8.988
   68   1H5*    A   7          1H5*        A   7  12.371   2.001  -2.255
   69   2H5*    A   7          2H5*        A   7  12.758   3.579  -2.969
   70    H4*    A   7           H4*        A   7  13.559   1.198  -4.023
   71    H3*    A   7           H3*        A   7  13.104   3.945  -5.140
   72    H2*    A   7           H2*        A   7  12.994   3.229  -7.347
   73   2HO*    A   7          2HO*        A   7  14.060   1.108  -7.883
   74    H1*    A   7           H1*        A   7  12.259   0.521  -6.970
   75    H8     A   7           H8         A   7   9.528   2.399  -5.498
   76   1H6     A   7          1H6         A   7   6.868   3.304  -9.428
   77   2H6     A   7          2H6         A   7   7.237   3.298 -11.140
   78    H2     A   7           H2         A   7  11.549   2.100 -11.554
   79   1H5*    A   8          1H5*        A   8  14.825   2.483  -8.803
   80   2H5*    A   8          2H5*        A   8  16.404   3.296  -8.858
   81    H4*    A   8           H4*        A   8  15.281   4.375 -10.582
   82    H3*    A   8           H3*        A   8  15.353   5.836  -8.036
   83    H2*    A   8           H2*        A   8  13.246   6.724  -8.104
   84   2HO*    A   8          2HO*        A   8  13.237   7.617 -10.694
   85    H1*    A   8           H1*        A   8  12.524   5.840 -10.837
   86    H8     A   8           H8         A   8  12.003   5.186  -7.060
   87   1H6     A   8          1H6         A   8   7.172   5.162  -7.066
   88   2H6     A   8          2H6         A   8   5.978   5.306  -8.336
   89    H2     A   8           H2         A   8   8.235   5.805 -12.191
   90   1H5*    U   9          1H5*        U   9  16.040  10.024 -10.798
   91   2H5*    U   9          2H5*        U   9  14.993   8.821 -10.020
   92    H4*    U   9           H4*        U   9  14.208   9.997 -12.685
   93    H3*    U   9           H3*        U   9  14.492  11.511 -10.192
   94    H2*    U   9           H2*        U   9  12.301  11.652  -9.548
   95   2HO*    U   9          2HO*        U   9  11.543  11.834 -12.290
   96    H1*    U   9           H1*        U   9  10.983   9.903 -11.350
   97    H3     U   9           H3         U   9   9.017   8.039  -7.805
   98    H5     U   9           H5         U   9  12.892   8.909  -6.399
   99    H6     U   9           H6         U   9  13.414   9.749  -8.624
  100   1H5*    C  10          1H5*        C  10  13.995  16.256 -10.959
  101   2H5*    C  10          2H5*        C  10  12.951  15.866  -9.580
  102    H4*    C  10           H4*        C  10  12.262  16.239 -12.398
  103    H3*    C  10           H3*        C  10  10.838  16.197  -9.725
  104    H2*    C  10           H2*        C  10   8.771  15.689 -10.764
  105   2HO*    C  10          2HO*        C  10   8.397  16.025 -12.926
  106    H1*    C  10           H1*        C  10   9.653  13.824 -12.518
  107   1H4     C  10          1H4         C  10   9.639  11.139  -6.460
  108   2H4     C  10          2H4         C  10   8.226  10.509  -7.276
  109    H5     C  10           H5         C  10  11.101  12.790  -7.436
  110    H6     C  10           H6         C  10  11.545  14.142  -9.442
  111   1H5*    C  11          1H5*        C  11   8.259  19.156  -7.681
  112   2H5*    C  11          2H5*        C  11   9.969  18.725  -7.482
  113    H4*    C  11           H4*        C  11   9.335  16.306  -7.795
  114    H3*    C  11           H3*        C  11   6.779  17.490  -8.535
  115    H2*    C  11           H2*        C  11   5.406  16.838  -6.690
  116   2HO*    C  11          2HO*        C  11   7.092  15.060  -5.474
  117    H1*    C  11           H1*        C  11   7.030  17.050  -4.655
  118   1H4     C  11          1H4         C  11   5.845  23.225  -6.498
  119   2H4     C  11          2H4         C  11   7.059  23.404  -5.252
  120    H5     C  11           H5         C  11   5.158  21.073  -7.352
  121    H6     C  11           H6         C  11   5.521  18.707  -7.307
  122   1H5*    C  12          1H5*        C  12   3.955  17.410 -10.218
  123   2H5*    C  12          2H5*        C  12   4.651  17.208  -8.606
  124    H4*    C  12           H4*        C  12   2.671  15.201  -9.649
  125    H3*    C  12           H3*        C  12   2.106  18.023  -9.149
  126    H2*    C  12           H2*        C  12   1.103  17.893  -7.089
  127   2HO*    C  12          2HO*        C  12  -0.619  16.568  -6.796
  128    H1*    C  12           H1*        C  12   1.533  15.184  -6.323
  129   1H4     C  12          1H4         C  12   4.909  19.585  -2.690
  130   2H4     C  12          2H4         C  12   4.477  18.261  -1.631
  131    H5     C  12           H5         C  12   4.389  19.619  -5.038
  132    H6     C  12           H6         C  12   3.302  18.413  -6.881
  133   1H5*    G  13          1H5*        G  13  -1.782  13.961  -8.871
  134   2H5*    G  13          2H5*        G  13  -0.264  14.763  -8.423
  135    H4*    G  13           H4*        G  13  -0.818  14.466 -11.345
  136    H3*    G  13           H3*        G  13  -0.532  12.152  -9.439
  137    H2*    G  13           H2*        G  13   1.192  11.165 -10.675
  138   2HO*    G  13          2HO*        G  13   0.774  11.003 -12.738
  139    H1*    G  13           H1*        G  13   2.413  13.440 -11.719
  140    H8     G  13           H8         G  13   1.768  13.592  -7.971
  141    H1     G  13           H1         G  13   7.153  10.547  -9.500
  142   1H2     G  13          1H2         G  13   6.037  10.858 -12.784
  143   2H2     G  13          2H2         G  13   7.304  10.333 -11.699
  144   1H5*    A  14          1H5*        A  14  -0.654   8.060 -12.235
  145   2H5*    A  14          2H5*        A  14   0.187   8.875 -10.902
  146    H4*    A  14           H4*        A  14   1.244   9.012 -13.733
  147    H3*    A  14           H3*        A  14   1.069   6.641 -12.042
  148    H2*    A  14           H2*        A  14   3.224   6.507 -11.277
  149   2HO*    A  14          2HO*        A  14   3.817   5.824 -13.396
  150    H1*    A  14           H1*        A  14   4.372   8.931 -12.263
  151    H8     A  14           H8         A  14   1.887   9.221  -9.417
  152   1H6     A  14          1H6         A  14   4.979   8.951  -5.716
  153   2H6     A  14          2H6         A  14   6.678   8.549  -5.604
  154    H2     A  14           H2         A  14   8.100   7.738  -9.792
  155   1H5*    A  15          1H5*        A  15   1.487   4.319 -12.179
  156   2H5*    A  15          2H5*        A  15   0.269   3.290 -12.961
  157    H4*    A  15           H4*        A  15  -1.196   3.412 -11.166
  158    H3*    A  15           H3*        A  15  -0.802   6.118 -11.071
  159    H2*    A  15           H2*        A  15   1.388   6.029 -10.031
  160   2HO*    A  15          2HO*        A  15  -0.357   5.877  -7.775
  161    H1*    A  15           H1*        A  15   0.393   3.907  -8.136
  162    H8     A  15           H8         A  15   3.310   4.237 -10.696
  163   1H6     A  15          1H6         A  15   6.909   3.260  -7.620
  164   2H6     A  15          2H6         A  15   6.968   3.022  -5.887
  165    H2     A  15           H2         A  15   2.764   3.420  -4.368
  166   1H5*    G  16          1H5*        G  16  -4.776   4.146  -9.551
  167   2H5*    G  16          2H5*        G  16  -5.133   3.901  -7.830
  168    H4*    G  16           H4*        G  16  -2.417   3.416  -9.130
  169    H3*    G  16           H3*        G  16  -4.809   1.737  -9.051
  170    H2*    G  16           H2*        G  16  -4.284   0.686  -7.030
  171   2HO*    G  16          2HO*        G  16  -3.487  -1.094  -7.857
  172    H1*    G  16           H1*        G  16  -1.376   1.470  -7.288
  173    H8     G  16           H8         G  16  -4.427   1.690  -4.889
  174    H1     G  16           H1         G  16   1.048  -0.048  -2.123
  175   1H2     G  16          1H2         G  16   2.409   0.274  -5.315
  176   2H2     G  16          2H2         G  16   2.676  -0.103  -3.627
  177   1H5*    U  17          1H5*        U  17  -1.628  -1.389 -12.681
  178   2H5*    U  17          2H5*        U  17  -1.079  -0.526 -11.229
  179    H4*    U  17           H4*        U  17  -0.667   0.525 -14.052
  180    H3*    U  17           H3*        U  17   0.920  -1.459 -12.437
  181    H2*    U  17           H2*        U  17   2.953  -0.320 -12.763
  182   2HO*    U  17          2HO*        U  17   2.528   1.662 -14.410
  183    H1*    U  17           H1*        U  17   2.102   2.251 -12.561
  184    H3     U  17           H3         U  17   4.670   0.486  -9.107
  185    H5     U  17           H5         U  17   0.666   0.626  -7.823
  186    H6     U  17           H6         U  17   0.026   1.087 -10.120
  187   1H5*    A  18          1H5*        A  18   3.866  -0.607 -14.796
  188   2H5*    A  18          2H5*        A  18   4.000  -1.938 -15.963
  189    H4*    A  18           H4*        A  18   6.197  -1.614 -15.086
  190    H3*    A  18           H3*        A  18   4.698  -3.996 -13.994
  191    H2*    A  18           H2*        A  18   6.367  -4.470 -12.425
  192   2HO*    A  18          2HO*        A  18   8.498  -3.130 -12.892
  193    H1*    A  18           H1*        A  18   7.314  -1.883 -11.944
  194    H8     A  18           H8         A  18   3.569  -2.098 -11.609
  195   1H6     A  18          1H6         A  18   3.283  -3.436  -6.979
  196   2H6     A  18          2H6         A  18   4.473  -3.982  -5.819
  197    H2     A  18           H2         A  18   8.433  -4.022  -7.926
  198   1H5*    G  19          1H5*        G  19   8.864  -5.055 -14.253
  199   2H5*    G  19          2H5*        G  19   8.958  -6.799 -14.571
  200    H4*    G  19           H4*        G  19   9.860  -5.995 -12.305
  201    H3*    G  19           H3*        G  19   7.848  -8.215 -12.730
  202    H2*    G  19           H2*        G  19   7.608  -8.529 -10.411
  203   2HO*    G  19          2HO*        G  19   9.243  -7.145  -9.071
  204    H1*    G  19           H1*        G  19   7.756  -5.908  -9.597
  205    H8     G  19           H8         G  19   5.623  -6.527 -12.709
  206    H1     G  19           H1         G  19   2.463  -7.145  -7.209
  207   1H2     G  19          1H2         G  19   5.606  -6.865  -5.725
  208   2H2     G  19          2H2         G  19   3.880  -7.051  -5.503
  209   1H5*    G  20          1H5*        G  20   9.234 -11.928  -9.999
  210   2H5*    G  20          2H5*        G  20   7.488 -11.631 -10.127
  211    H4*    G  20           H4*        G  20   9.519 -10.106  -8.464
  212    H3*    G  20           H3*        G  20   7.312 -12.065  -7.935
  213    H2*    G  20           H2*        G  20   6.393 -10.792  -6.159
  214   2HO*    G  20          2HO*        G  20   8.769 -10.391  -5.465
  215    H1*    G  20           H1*        G  20   6.730  -8.306  -7.144
  216    H8     G  20           H8         G  20   5.587  -9.275 -10.249
  217    H1     G  20           H1         G  20   0.915 -10.312  -6.040
  218   1H2     G  20          1H2         G  20   3.451 -10.171  -3.651
  219   2H2     G  20          2H2         G  20   1.747 -10.390  -3.984
  220   1H5*    C  21          1H5*        C  21   8.593 -15.134  -4.080
  221   2H5*    C  21          2H5*        C  21   7.541 -15.763  -5.364
  222    H4*    C  21           H4*        C  21   7.011 -13.587  -3.349
  223    H3*    C  21           H3*        C  21   5.626 -16.054  -4.405
  224    H2*    C  21           H2*        C  21   3.571 -15.025  -4.389
  225   2HO*    C  21          2HO*        C  21   2.937 -13.690  -2.694
  226    H1*    C  21           H1*        C  21   4.550 -12.283  -4.116
  227   1H4     C  21          1H4         C  21   1.673 -12.376  -9.980
  228   2H4     C  21          2H4         C  21   0.344 -12.982  -9.017
  229    H5     C  21           H5         C  21   3.892 -12.026  -9.095
  230    H6     C  21           H6         C  21   5.314 -12.222  -7.141
  231   1H5*    C  22          1H5*        C  22   5.913 -19.604  -3.376
  232   2H5*    C  22          2H5*        C  22   6.305 -18.066  -4.162
  233    H4*    C  22           H4*        C  22   3.686 -18.252  -2.710
  234    H3*    C  22           H3*        C  22   4.344 -19.656  -5.319
  235    H2*    C  22           H2*        C  22   2.281 -19.029  -6.139
  236   2HO*    C  22          2HO*        C  22   1.020 -18.366  -3.767
  237    H1*    C  22           H1*        C  22   1.955 -16.786  -4.314
  238   1H4     C  22          1H4         C  22   2.966 -14.391 -10.361
  239   2H4     C  22          2H4         C  22   1.340 -15.028 -10.472
  240    H5     C  22           H5         C  22   4.392 -14.738  -8.449
  241    H6     C  22           H6         C  22   4.557 -15.748  -6.224
  242    H3T    C  22           H3T        C  22   3.932 -21.264  -3.999
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -11.090 -15.843 -11.879
    2   2H5*    G   1          2H5*        G   1  -9.688 -15.384 -12.867
    3    H4*    G   1           H4*        G   1  -9.506 -17.273 -10.492
    4    H3*    G   1           H3*        G   1  -9.518 -14.271 -10.621
    5    H2*    G   1           H2*        G   1  -7.375 -14.085  -9.800
    6   2HO*    G   1          2HO*        G   1  -8.608 -15.620  -7.890
    7    H1*    G   1           H1*        G   1  -6.834 -17.002  -9.694
    8    H8     G   1           H8         G   1  -6.232 -14.526 -12.569
    9    H1     G   1           H1         G   1  -1.038 -15.814  -9.104
   10   1H2     G   1          1H2         G   1  -3.227 -17.602  -7.066
   11   2H2     G   1          2H2         G   1  -1.588 -17.063  -7.357
   12    H5T    G   1           H5T        G   1 -11.201 -17.541 -13.067
   13   1H5*    G   2          1H5*        G   2 -10.428 -15.403  -5.537
   14   2H5*    G   2          2H5*        G   2 -10.225 -13.700  -5.075
   15    H4*    G   2           H4*        G   2  -8.683 -15.708  -4.091
   16    H3*    G   2           H3*        G   2  -8.159 -12.769  -4.578
   17    H2*    G   2           H2*        G   2  -5.883 -13.023  -4.179
   18   2HO*    G   2          2HO*        G   2  -6.358 -13.984  -2.074
   19    H1*    G   2           H1*        G   2  -5.620 -15.777  -4.833
   20    H8     G   2           H8         G   2  -6.840 -13.684  -7.701
   21    H1     G   2           H1         G   2  -0.517 -13.375  -6.929
   22   1H2     G   2          1H2         G   2  -1.121 -14.956  -3.883
   23   2H2     G   2          2H2         G   2   0.057 -14.297  -4.995
   24   1H5*    C   3          1H5*        C   3  -5.935 -11.693   0.149
   25   2H5*    C   3          2H5*        C   3  -5.900 -10.698  -1.320
   26    H4*    C   3           H4*        C   3  -3.855 -12.702  -0.337
   27    H3*    C   3           H3*        C   3  -3.955  -9.756  -0.961
   28    H2*    C   3           H2*        C   3  -2.055  -9.822  -2.266
   29   2HO*    C   3          2HO*        C   3  -0.216 -10.912  -1.558
   30    H1*    C   3           H1*        C   3  -1.791 -12.731  -2.444
   31   1H4     C   3          1H4         C   3  -2.648 -10.122  -8.447
   32   2H4     C   3          2H4         C   3  -0.914 -10.090  -8.212
   33    H5     C   3           H5         C   3  -4.202 -10.765  -6.716
   34    H6     C   3           H6         C   3  -4.430 -11.459  -4.390
   35   1H5*    C   4          1H5*        C   4   0.572 -10.436   0.094
   36   2H5*    C   4          2H5*        C   4   0.508  -9.430   1.557
   37    H4*    C   4           H4*        C   4   2.260  -8.434   0.391
   38    H3*    C   4           H3*        C   4  -0.379  -7.099  -0.207
   39    H2*    C   4           H2*        C   4   0.359  -6.050  -2.068
   40   2HO*    C   4          2HO*        C   4   1.757  -4.771  -0.661
   41    H1*    C   4           H1*        C   4   2.913  -7.444  -2.366
   42   1H4     C   4          1H4         C   4  -1.364  -7.654  -7.423
   43   2H4     C   4          2H4         C   4   0.235  -7.459  -8.108
   44    H5     C   4           H5         C   4  -1.766  -7.828  -5.036
   45    H6     C   4           H6         C   4  -0.731  -7.903  -2.842
   46   1H5*    G   5          1H5*        G   5   4.310  -6.787  -0.804
   47   2H5*    G   5          2H5*        G   5   5.469  -5.792   0.094
   48    H4*    G   5           H4*        G   5   5.791  -5.061  -2.103
   49    H3*    G   5           H3*        G   5   3.692  -3.270  -0.815
   50    H2*    G   5           H2*        G   5   3.583  -2.072  -2.837
   51   2HO*    G   5          2HO*        G   5   5.325  -1.715  -4.067
   52    H1*    G   5           H1*        G   5   4.371  -4.242  -4.538
   53    H8     G   5           H8         G   5   1.247  -4.099  -2.262
   54    H1     G   5           H1         G   5   0.151  -2.548  -8.342
   55   1H2     G   5          1H2         G   5   3.602  -2.851  -8.721
   56   2H2     G   5          2H2         G   5   2.060  -2.489  -9.466
   57   1H5*    A   6          1H5*        A   6   6.501   1.158  -1.826
   58   2H5*    A   6          2H5*        A   6   5.793   0.748  -3.401
   59    H4*    A   6           H4*        A   6   8.022  -0.835  -2.060
   60    H3*    A   6           H3*        A   6   8.056   1.485  -4.005
   61    H2*    A   6           H2*        A   6   9.779   0.450  -5.253
   62   2HO*    A   6          2HO*        A   6  10.773  -1.548  -4.262
   63    H1*    A   6           H1*        A   6   8.907  -2.161  -5.047
   64    H8     A   6           H8         A   6   5.752  -0.733  -5.954
   65   1H6     A   6          1H6         A   6   6.427   0.484 -10.579
   66   2H6     A   6          2H6         A   6   7.855   0.657 -11.575
   67    H2     A   6           H2         A   6  11.388  -0.280  -8.963
   68   1H5*    A   7          1H5*        A   7  11.986   1.752  -2.432
   69   2H5*    A   7          2H5*        A   7  12.674   3.369  -2.685
   70    H4*    A   7           H4*        A   7  13.286   1.422  -4.346
   71    H3*    A   7           H3*        A   7  12.615   4.303  -4.930
   72    H2*    A   7           H2*        A   7  12.475   3.936  -7.218
   73   2HO*    A   7          2HO*        A   7  13.845   1.544  -7.400
   74    H1*    A   7           H1*        A   7  11.996   1.119  -7.190
   75    H8     A   7           H8         A   7   9.083   2.483  -5.627
   76   1H6     A   7          1H6         A   7   6.445   3.699  -9.485
   77   2H6     A   7          2H6         A   7   6.866   4.033 -11.153
   78    H2     A   7           H2         A   7  11.302   3.432 -11.531
   79   1H5*    A   8          1H5*        A   8  14.445   3.801  -8.942
   80   2H5*    A   8          2H5*        A   8  15.932   4.743  -8.693
   81    H4*    A   8           H4*        A   8  14.752   6.151 -10.115
   82    H3*    A   8           H3*        A   8  14.560   6.830  -7.260
   83    H2*    A   8           H2*        A   8  12.389   7.521  -7.213
   84   2HO*    A   8          2HO*        A   8  13.652   9.334  -8.654
   85    H1*    A   8           H1*        A   8  11.801   7.317 -10.089
   86    H8     A   8           H8         A   8  11.299   5.715  -6.595
   87   1H6     A   8          1H6         A   8   6.520   5.092  -6.873
   88   2H6     A   8          2H6         A   8   5.353   5.343  -8.152
   89    H2     A   8           H2         A   8   7.638   6.858 -11.717
   90   1H5*    U   9          1H5*        U   9  12.633   7.009 -12.063
   91   2H5*    U   9          2H5*        U   9  14.011   7.941 -12.672
   92    H4*    U   9           H4*        U   9  12.111   8.800 -13.819
   93    H3*    U   9           H3*        U   9  13.342  10.512 -11.732
   94    H2*    U   9           H2*        U   9  11.467  11.684 -11.117
   95   2HO*    U   9          2HO*        U   9   9.942  12.030 -13.133
   96    H1*    U   9           H1*        U   9   9.406  10.266 -12.510
   97    H3     U   9           H3         U   9   7.140  10.779  -8.686
   98    H5     U   9           H5         U   9  10.972   9.582  -7.397
   99    H6     U   9           H6         U   9  11.636   9.494  -9.731
  100   1H5*    C  10          1H5*        C  10  12.542  15.336 -15.052
  101   2H5*    C  10          2H5*        C  10  12.149  14.742 -13.425
  102    H4*    C  10           H4*        C  10  10.425  14.621 -15.923
  103    H3*    C  10           H3*        C  10  10.287  16.050 -13.252
  104    H2*    C  10           H2*        C  10   7.952  15.735 -13.162
  105   2HO*    C  10          2HO*        C  10   7.046  14.717 -15.303
  106    H1*    C  10           H1*        C  10   7.839  13.204 -14.232
  107   1H4     C  10          1H4         C  10   9.139  12.978  -7.745
  108   2H4     C  10          2H4         C  10   7.400  12.847  -7.890
  109    H5     C  10           H5         C  10  10.596  13.321  -9.638
  110    H6     C  10           H6         C  10  10.696  13.583 -12.076
  111   1H5*    C  11          1H5*        C  11   6.204  18.524 -14.409
  112   2H5*    C  11          2H5*        C  11   6.617  18.963 -12.740
  113    H4*    C  11           H4*        C  11   5.743  16.174 -13.592
  114    H3*    C  11           H3*        C  11   4.117  18.548 -13.250
  115    H2*    C  11           H2*        C  11   3.275  18.288 -11.054
  116   2HO*    C  11          2HO*        C  11   3.755  15.670 -10.562
  117    H1*    C  11           H1*        C  11   5.171  16.939  -9.770
  118   1H4     C  11          1H4         C  11   7.090  23.187 -10.013
  119   2H4     C  11          2H4         C  11   8.354  22.380  -9.111
  120    H5     C  11           H5         C  11   5.306  21.993 -11.107
  121    H6     C  11           H6         C  11   4.363  19.860 -11.634
  122   1H5*    C  12          1H5*        C  12  -0.378  17.761 -12.030
  123   2H5*    C  12          2H5*        C  12   1.107  18.419 -11.312
  124    H4*    C  12           H4*        C  12  -0.617  16.163 -10.248
  125    H3*    C  12           H3*        C  12  -0.429  19.030  -9.665
  126    H2*    C  12           H2*        C  12   0.575  18.931  -7.602
  127   2HO*    C  12          2HO*        C  12  -1.176  18.253  -6.501
  128    H1*    C  12           H1*        C  12   1.221  16.148  -7.361
  129   1H4     C  12          1H4         C  12   6.434  20.236  -7.638
  130   2H4     C  12          2H4         C  12   6.824  18.986  -6.479
  131    H5     C  12           H5         C  12   4.360  20.310  -8.855
  132    H6     C  12           H6         C  12   2.216  19.198  -9.240
  133   1H5*    G  13          1H5*        G  13  -3.567  14.619 -10.914
  134   2H5*    G  13          2H5*        G  13  -2.245  14.339  -9.757
  135    H4*    G  13           H4*        G  13  -2.377  13.746 -12.696
  136    H3*    G  13           H3*        G  13  -1.307  12.403 -10.184
  137    H2*    G  13           H2*        G  13   0.277  11.233 -11.520
  138   2HO*    G  13          2HO*        G  13   0.121  11.497 -13.902
  139    H1*    G  13           H1*        G  13   1.018  13.331 -13.097
  140    H8     G  13           H8         G  13   0.393  14.442  -9.511
  141    H1     G  13           H1         G  13   6.082  11.727 -10.357
  142   1H2     G  13          1H2         G  13   4.927  11.040 -13.566
  143   2H2     G  13          2H2         G  13   6.251  10.975 -12.425
  144   1H5*    A  14          1H5*        A  14  -0.962   9.848 -13.717
  145   2H5*    A  14          2H5*        A  14  -1.270   8.193 -13.163
  146    H4*    A  14           H4*        A  14   1.099   8.923 -14.170
  147    H3*    A  14           H3*        A  14   0.218   6.855 -12.262
  148    H2*    A  14           H2*        A  14   1.992   7.006 -10.801
  149   2HO*    A  14          2HO*        A  14   3.215   5.700 -12.082
  150    H1*    A  14           H1*        A  14   3.571   9.031 -12.190
  151    H8     A  14           H8         A  14   0.847   9.936  -9.723
  152   1H6     A  14          1H6         A  14   3.519  10.226  -5.696
  153   2H6     A  14          2H6         A  14   5.176   9.797  -5.333
  154    H2     A  14           H2         A  14   6.984   8.232  -9.133
  155   1H5*    A  15          1H5*        A  15   1.323   3.998 -12.136
  156   2H5*    A  15          2H5*        A  15   0.382   2.905 -13.169
  157    H4*    A  15           H4*        A  15  -1.386   2.778 -11.650
  158    H3*    A  15           H3*        A  15  -1.233   5.480 -11.338
  159    H2*    A  15           H2*        A  15   0.729   5.554  -9.991
  160   2HO*    A  15          2HO*        A  15  -0.110   5.418  -7.678
  161    H1*    A  15           H1*        A  15  -0.093   3.203  -8.341
  162    H8     A  15           H8         A  15   2.851   4.259 -10.690
  163   1H6     A  15          1H6         A  15   6.439   3.232  -7.628
  164   2H6     A  15          2H6         A  15   6.475   2.702  -5.962
  165    H2     A  15           H2         A  15   2.207   2.235  -4.648
  166   1H5*    G  16          1H5*        G  16  -5.408   2.104  -8.951
  167   2H5*    G  16          2H5*        G  16  -4.459   3.432  -8.252
  168    H4*    G  16           H4*        G  16  -2.544   2.350  -9.790
  169    H3*    G  16           H3*        G  16  -4.614   0.389 -10.037
  170    H2*    G  16           H2*        G  16  -4.257  -0.605  -7.923
  171   2HO*    G  16          2HO*        G  16  -2.907  -1.770  -9.855
  172    H1*    G  16           H1*        G  16  -1.335   0.192  -8.040
  173    H8     G  16           H8         G  16  -4.489  -0.012  -5.802
  174    H1     G  16           H1         G  16   1.011  -1.167  -2.787
  175   1H2     G  16          1H2         G  16   2.488  -0.453  -5.861
  176   2H2     G  16          2H2         G  16   2.712  -0.894  -4.184
  177   1H5*    U  17          1H5*        U  17  -0.548  -2.046 -13.400
  178   2H5*    U  17          2H5*        U  17  -0.312  -1.212 -11.851
  179    H4*    U  17           H4*        U  17   0.093   0.142 -14.541
  180    H3*    U  17           H3*        U  17   1.929  -1.633 -12.943
  181    H2*    U  17           H2*        U  17   3.719  -0.094 -13.049
  182   2HO*    U  17          2HO*        U  17   3.423   0.337 -15.331
  183    H1*    U  17           H1*        U  17   2.358   2.212 -12.658
  184    H3     U  17           H3         U  17   4.952   0.468  -9.171
  185    H5     U  17           H5         U  17   0.883   0.039  -8.206
  186    H6     U  17           H6         U  17   0.362   0.573 -10.515
  187   1H5*    A  18          1H5*        A  18   4.764  -0.736 -14.910
  188   2H5*    A  18          2H5*        A  18   5.039  -1.878 -16.241
  189    H4*    A  18           H4*        A  18   7.168  -1.810 -15.342
  190    H3*    A  18           H3*        A  18   5.596  -3.958 -13.886
  191    H2*    A  18           H2*        A  18   7.435  -4.359 -12.458
  192   2HO*    A  18          2HO*        A  18   8.829  -3.544 -14.654
  193    H1*    A  18           H1*        A  18   8.266  -1.746 -12.143
  194    H8     A  18           H8         A  18   4.506  -1.916 -11.896
  195   1H6     A  18          1H6         A  18   4.067  -3.203  -7.262
  196   2H6     A  18          2H6         A  18   5.220  -3.708  -6.047
  197    H2     A  18           H2         A  18   9.252  -3.771  -8.021
  198   1H5*    G  19          1H5*        G  19   9.612  -5.648 -14.106
  199   2H5*    G  19          2H5*        G  19   9.297  -7.390 -14.237
  200    H4*    G  19           H4*        G  19  10.430  -6.479 -12.067
  201    H3*    G  19           H3*        G  19   8.131  -8.445 -12.268
  202    H2*    G  19           H2*        G  19   7.998  -8.566  -9.908
  203   2HO*    G  19          2HO*        G  19  10.546  -8.399  -9.961
  204    H1*    G  19           H1*        G  19   8.353  -5.916  -9.356
  205    H8     G  19           H8         G  19   6.200  -6.315 -12.435
  206    H1     G  19           H1         G  19   2.962  -7.155  -7.002
  207   1H2     G  19          1H2         G  19   6.098  -7.064  -5.484
  208   2H2     G  19          2H2         G  19   4.368  -7.231  -5.288
  209   1H5*    G  20          1H5*        G  20   8.590 -12.434  -9.946
  210   2H5*    G  20          2H5*        G  20   7.926 -10.846 -10.382
  211    H4*    G  20           H4*        G  20   9.803 -10.813  -8.089
  212    H3*    G  20           H3*        G  20   7.338 -12.550  -8.085
  213    H2*    G  20           H2*        G  20   6.606 -11.630  -6.000
  214   2HO*    G  20          2HO*        G  20   8.157 -11.368  -4.595
  215    H1*    G  20           H1*        G  20   7.236  -9.056  -6.442
  216    H8     G  20           H8         G  20   5.935  -9.150  -9.634
  217    H1     G  20           H1         G  20   1.265 -10.646  -5.561
  218   1H2     G  20          1H2         G  20   3.850 -11.354  -3.334
  219   2H2     G  20          2H2         G  20   2.126 -11.312  -3.630
  220   1H5*    C  21          1H5*        C  21   8.927 -15.613  -5.204
  221   2H5*    C  21          2H5*        C  21   7.664 -16.735  -5.745
  222    H4*    C  21           H4*        C  21   7.454 -14.595  -3.843
  223    H3*    C  21           H3*        C  21   5.624 -16.722  -4.993
  224    H2*    C  21           H2*        C  21   3.730 -15.521  -4.373
  225   2HO*    C  21          2HO*        C  21   4.923 -13.910  -2.444
  226    H1*    C  21           H1*        C  21   4.994 -12.945  -4.104
  227   1H4     C  21          1H4         C  21   1.454 -12.031  -9.456
  228   2H4     C  21          2H4         C  21   0.198 -12.664  -8.416
  229    H5     C  21           H5         C  21   3.799 -12.025  -8.848
  230    H6     C  21           H6         C  21   5.410 -12.682  -7.176
  231   1H5*    C  22          1H5*        C  22   4.240 -16.936  -2.464
  232   2H5*    C  22          2H5*        C  22   3.701 -18.295  -1.460
  233    H4*    C  22           H4*        C  22   1.899 -18.394  -2.814
  234    H3*    C  22           H3*        C  22   4.114 -19.508  -4.523
  235    H2*    C  22           H2*        C  22   3.028 -18.981  -6.451
  236   2HO*    C  22          2HO*        C  22   0.659 -19.486  -6.530
  237    H1*    C  22           H1*        C  22   0.750 -17.681  -5.000
  238   1H4     C  22          1H4         C  22   2.638 -14.127 -10.275
  239   2H4     C  22          2H4         C  22   0.936 -14.488 -10.472
  240    H5     C  22           H5         C  22   3.949 -14.928  -8.409
  241    H6     C  22           H6         C  22   3.912 -16.229  -6.337
  242    H3T    C  22           H3T        C  22   3.153 -20.949  -3.147
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  -9.374 -14.755 -13.908
    2   2H5*    G   1          2H5*        G   1 -10.592 -13.901 -12.937
    3    H4*    G   1           H4*        G   1  -9.388 -15.368 -11.456
    4    H3*    G   1           H3*        G   1  -8.878 -12.417 -11.232
    5    H2*    G   1           H2*        G   1  -6.863 -12.711 -10.159
    6   2HO*    G   1          2HO*        G   1  -6.961 -14.525  -8.421
    7    H1*    G   1           H1*        G   1  -6.950 -15.689 -10.251
    8    H8     G   1           H8         G   1  -5.305 -13.226 -12.696
    9    H1     G   1           H1         G   1  -1.262 -15.834  -8.511
   10   1H2     G   1          1H2         G   1  -4.118 -17.252  -7.107
   11   2H2     G   1          2H2         G   1  -2.382 -17.052  -7.036
   12    H5T    G   1           H5T        G   1  -8.523 -12.917 -14.377
   13   1H5*    G   2          1H5*        G   2 -10.432 -12.597  -6.093
   14   2H5*    G   2          2H5*        G   2  -9.300 -11.233  -6.161
   15    H4*    G   2           H4*        G   2  -9.041 -13.690  -4.709
   16    H3*    G   2           H3*        G   2  -7.406 -11.164  -5.085
   17    H2*    G   2           H2*        G   2  -5.510 -12.215  -4.172
   18   2HO*    G   2          2HO*        G   2  -5.791 -14.322  -3.079
   19    H1*    G   2           H1*        G   2  -5.873 -14.739  -5.212
   20    H8     G   2           H8         G   2  -6.485 -12.392  -8.022
   21    H1     G   2           H1         G   2  -0.281 -12.932  -6.647
   22   1H2     G   2          1H2         G   2  -1.377 -14.467  -3.719
   23   2H2     G   2          2H2         G   2  -0.022 -13.951  -4.698
   24   1H5*    C   3          1H5*        C   3  -5.893 -11.791  -0.019
   25   2H5*    C   3          2H5*        C   3  -5.536 -10.134  -0.537
   26    H4*    C   3           H4*        C   3  -3.741 -12.393  -0.282
   27    H3*    C   3           H3*        C   3  -3.516  -9.421  -0.847
   28    H2*    C   3           H2*        C   3  -1.463  -9.716  -1.871
   29   2HO*    C   3          2HO*        C   3  -0.197 -11.722  -1.120
   30    H1*    C   3           H1*        C   3  -1.678 -12.578  -2.336
   31   1H4     C   3          1H4         C   3  -1.867  -9.304  -8.063
   32   2H4     C   3          2H4         C   3  -0.161  -9.568  -7.776
   33    H5     C   3           H5         C   3  -3.575  -9.846  -6.445
   34    H6     C   3           H6         C   3  -4.009 -10.703  -4.207
   35   1H5*    C   4          1H5*        C   4   0.759 -10.303   0.175
   36   2H5*    C   4          2H5*        C   4   0.786  -9.379   1.691
   37    H4*    C   4           H4*        C   4   2.484  -8.305   0.552
   38    H3*    C   4           H3*        C   4  -0.158  -6.984  -0.063
   39    H2*    C   4           H2*        C   4   0.596  -5.919  -1.911
   40   2HO*    C   4          2HO*        C   4   2.291  -4.993  -0.186
   41    H1*    C   4           H1*        C   4   3.151  -7.298  -2.199
   42   1H4     C   4          1H4         C   4  -1.070  -7.528  -7.299
   43   2H4     C   4          2H4         C   4   0.539  -7.325  -7.960
   44    H5     C   4           H5         C   4  -1.506  -7.680  -4.908
   45    H6     C   4           H6         C   4  -0.493  -7.762  -2.702
   46   1H5*    G   5          1H5*        G   5   4.541  -6.374  -0.675
   47   2H5*    G   5          2H5*        G   5   5.644  -5.374   0.288
   48    H4*    G   5           H4*        G   5   5.933  -4.333  -1.740
   49    H3*    G   5           H3*        G   5   3.405  -3.075  -0.599
   50    H2*    G   5           H2*        G   5   3.265  -1.779  -2.562
   51   2HO*    G   5          2HO*        G   5   5.149  -1.540  -3.943
   52    H1*    G   5           H1*        G   5   4.452  -3.676  -4.303
   53    H8     G   5           H8         G   5   1.348  -3.931  -1.987
   54    H1     G   5           H1         G   5  -0.015  -3.125  -8.154
   55   1H2     G   5          1H2         G   5   3.438  -3.006  -8.594
   56   2H2     G   5          2H2         G   5   1.852  -2.903  -9.324
   57   1H5*    A   6          1H5*        A   6   6.769   1.583  -1.932
   58   2H5*    A   6          2H5*        A   6   5.717   0.301  -2.567
   59    H4*    A   6           H4*        A   6   8.410  -0.704  -2.060
   60    H3*    A   6           H3*        A   6   8.083   1.807  -3.726
   61    H2*    A   6           H2*        A   6   9.492   0.910  -5.381
   62   2HO*    A   6          2HO*        A   6  11.190  -0.236  -4.870
   63    H1*    A   6           H1*        A   6   8.763  -1.768  -5.098
   64    H8     A   6           H8         A   6   5.507  -0.527  -5.666
   65   1H6     A   6          1H6         A   6   5.707   0.711 -10.348
   66   2H6     A   6          2H6         A   6   7.036   1.047 -11.434
   67    H2     A   6           H2         A   6  10.824   0.536  -9.046
   68   1H5*    A   7          1H5*        A   7  13.453   1.981  -2.809
   69   2H5*    A   7          2H5*        A   7  11.771   2.545  -2.785
   70    H4*    A   7           H4*        A   7  13.232   1.334  -5.162
   71    H3*    A   7           H3*        A   7  12.662   4.129  -4.248
   72    H2*    A   7           H2*        A   7  11.326   4.566  -5.975
   73   2HO*    A   7          2HO*        A   7  12.231   4.327  -8.138
   74    H1*    A   7           H1*        A   7  11.761   1.986  -7.365
   75    H8     A   7           H8         A   7   8.890   3.180  -5.208
   76   1H6     A   7          1H6         A   7   5.496   3.471  -8.627
   77   2H6     A   7          2H6         A   7   5.574   3.515 -10.374
   78    H2     A   7           H2         A   7   9.896   3.128 -11.501
   79   1H5*    A   8          1H5*        A   8  13.248   2.514  -8.775
   80   2H5*    A   8          2H5*        A   8  14.791   2.438  -9.639
   81    H4*    A   8           H4*        A   8  13.943   4.048 -10.966
   82    H3*    A   8           H3*        A   8  14.878   5.433  -8.513
   83    H2*    A   8           H2*        A   8  13.105   6.831  -8.302
   84   2HO*    A   8          2HO*        A   8  13.043   7.753 -10.889
   85    H1*    A   8           H1*        A   8  11.909   6.158 -10.959
   86    H8     A   8           H8         A   8  11.479   5.968  -7.128
   87   1H6     A   8          1H6         A   8   7.153   8.134  -6.899
   88   2H6     A   8          2H6         A   8   6.051   8.723  -8.124
   89    H2     A   8           H2         A   8   7.927   7.772 -12.111
   90   1H5*    U   9          1H5*        U   9  15.405   9.530 -12.241
   91   2H5*    U   9          2H5*        U   9  14.670   8.584 -10.937
   92    H4*    U   9           H4*        U   9  13.239   8.545 -13.560
   93    H3*    U   9           H3*        U   9  13.909  11.089 -12.230
   94    H2*    U   9           H2*        U   9  11.863  11.590 -11.316
   95   2HO*    U   9          2HO*        U   9  11.067  10.784 -13.874
   96    H1*    U   9           H1*        U   9  10.388   9.180 -11.673
   97    H3     U   9           H3         U   9   9.231  10.016  -7.435
   98    H5     U   9           H5         U   9  13.444  10.088  -7.331
   99    H6     U   9           H6         U   9  13.417   9.777  -9.735
  100   1H5*    C  10          1H5*        C  10  12.216  14.709 -15.156
  101   2H5*    C  10          2H5*        C  10  11.756  15.188 -13.511
  102    H4*    C  10           H4*        C  10  10.053  14.455 -15.726
  103    H3*    C  10           H3*        C  10   9.705  15.506 -12.903
  104    H2*    C  10           H2*        C  10   7.430  14.896 -12.911
  105   2HO*    C  10          2HO*        C  10   7.652  15.404 -15.540
  106    H1*    C  10           H1*        C  10   7.664  12.473 -14.131
  107   1H4     C  10          1H4         C  10   9.478  12.090  -7.777
  108   2H4     C  10          2H4         C  10   7.753  11.803  -7.780
  109    H5     C  10           H5         C  10  10.713  12.723  -9.751
  110    H6     C  10           H6         C  10  10.571  13.129 -12.158
  111   1H5*    C  11          1H5*        C  11   6.015  18.275 -12.742
  112   2H5*    C  11          2H5*        C  11   6.685  17.950 -11.132
  113    H4*    C  11           H4*        C  11   5.134  16.051 -12.927
  114    H3*    C  11           H3*        C  11   4.520  17.659 -10.515
  115    H2*    C  11           H2*        C  11   3.979  15.910  -9.060
  116   2HO*    C  11          2HO*        C  11   3.845  13.676 -10.329
  117    H1*    C  11           H1*        C  11   5.767  14.020  -9.718
  118   1H4     C  11          1H4         C  11   8.599  18.343  -5.717
  119   2H4     C  11          2H4         C  11   9.769  18.504  -7.007
  120    H5     C  11           H5         C  11   6.556  17.089  -5.943
  121    H6     C  11           H6         C  11   5.222  15.676  -7.413
  122   1H5*    C  12          1H5*        C  12   2.022  14.561  -9.568
  123   2H5*    C  12          2H5*        C  12   0.815  14.938 -10.815
  124    H4*    C  12           H4*        C  12  -0.609  14.176  -9.188
  125    H3*    C  12           H3*        C  12  -0.281  17.089  -9.044
  126    H2*    C  12           H2*        C  12  -0.587  17.427  -6.784
  127   2HO*    C  12          2HO*        C  12  -2.069  16.133  -5.588
  128    H1*    C  12           H1*        C  12  -0.106  14.933  -5.654
  129   1H4     C  12          1H4         C  12   5.308  18.754  -5.464
  130   2H4     C  12          2H4         C  12   4.831  18.448  -3.810
  131    H5     C  12           H5         C  12   4.078  17.934  -7.364
  132    H6     C  12           H6         C  12   2.115  16.663  -8.089
  133   1H5*    G  13          1H5*        G  13  -3.020  12.099  -7.603
  134   2H5*    G  13          2H5*        G  13  -1.294  11.971  -7.210
  135    H4*    G  13           H4*        G  13  -2.638  12.067  -9.911
  136    H3*    G  13           H3*        G  13  -0.732  10.253  -8.431
  137    H2*    G  13           H2*        G  13   0.508   9.797 -10.401
  138   2HO*    G  13          2HO*        G  13  -0.318  10.578 -12.479
  139    H1*    G  13           H1*        G  13   0.652  12.282 -11.406
  140    H8     G  13           H8         G  13   0.726  12.683  -7.674
  141    H1     G  13           H1         G  13   6.311  10.686 -10.006
  142   1H2     G  13          1H2         G  13   4.543  10.175 -12.965
  143   2H2     G  13          2H2         G  13   6.079  10.098 -12.131
  144   1H5*    A  14          1H5*        A  14  -1.409   8.921 -12.360
  145   2H5*    A  14          2H5*        A  14  -1.649   7.165 -12.398
  146    H4*    A  14           H4*        A  14   0.314   8.253 -13.780
  147    H3*    A  14           H3*        A  14   0.027   5.688 -12.360
  148    H2*    A  14           H2*        A  14   2.186   5.413 -11.659
  149   2HO*    A  14          2HO*        A  14   2.885   4.899 -13.709
  150    H1*    A  14           H1*        A  14   3.376   7.923 -12.362
  151    H8     A  14           H8         A  14   1.083   7.995  -9.379
  152   1H6     A  14          1H6         A  14   4.133   6.480  -5.963
  153   2H6     A  14          2H6         A  14   5.758   5.832  -6.012
  154    H2     A  14           H2         A  14   6.963   5.668 -10.346
  155   1H5*    A  15          1H5*        A  15   0.783   3.519 -12.251
  156   2H5*    A  15          2H5*        A  15  -0.060   2.257 -13.178
  157    H4*    A  15           H4*        A  15  -1.875   2.193 -11.675
  158    H3*    A  15           H3*        A  15  -1.785   4.911 -11.482
  159    H2*    A  15           H2*        A  15   0.252   5.024 -10.206
  160   2HO*    A  15          2HO*        A  15  -1.773   5.848  -9.027
  161    H1*    A  15           H1*        A  15  -0.720   2.777  -8.437
  162    H8     A  15           H8         A  15   2.402   3.348 -10.653
  163   1H6     A  15          1H6         A  15   5.733   3.118  -7.158
  164   2H6     A  15          2H6         A  15   5.630   2.972  -5.416
  165    H2     A  15           H2         A  15   1.267   2.747  -4.385
  166   1H5*    G  16          1H5*        G  16  -5.700   1.027 -10.315
  167   2H5*    G  16          2H5*        G  16  -5.878   1.346  -8.577
  168    H4*    G  16           H4*        G  16  -3.111   1.460  -9.730
  169    H3*    G  16           H3*        G  16  -4.794  -0.916 -10.012
  170    H2*    G  16           H2*        G  16  -4.253  -1.829  -7.936
  171   2HO*    G  16          2HO*        G  16  -2.755  -2.883  -9.445
  172    H1*    G  16           H1*        G  16  -1.766  -0.124  -7.732
  173    H8     G  16           H8         G  16  -5.071  -0.820  -5.805
  174    H1     G  16           H1         G  16   0.246  -1.401  -2.335
  175   1H2     G  16          1H2         G  16   1.900  -0.628  -5.304
  176   2H2     G  16          2H2         G  16   2.025  -1.025  -3.605
  177   1H5*    U  17          1H5*        U  17  -0.758  -2.595 -13.884
  178   2H5*    U  17          2H5*        U  17  -0.317  -2.220 -12.206
  179    H4*    U  17           H4*        U  17   0.081  -0.456 -14.651
  180    H3*    U  17           H3*        U  17   1.859  -2.143 -12.892
  181    H2*    U  17           H2*        U  17   3.525  -0.482 -12.804
  182   2HO*    U  17          2HO*        U  17   2.802  -0.043 -15.277
  183    H1*    U  17           H1*        U  17   1.936   1.740 -12.625
  184    H3     U  17           H3         U  17   4.447   0.369  -8.902
  185    H5     U  17           H5         U  17   0.371  -0.374  -8.181
  186    H6     U  17           H6         U  17  -0.042   0.043 -10.534
  187   1H5*    A  18          1H5*        A  18   4.352  -1.270 -15.015
  188   2H5*    A  18          2H5*        A  18   5.027  -2.250 -16.332
  189    H4*    A  18           H4*        A  18   6.982  -1.792 -15.214
  190    H3*    A  18           H3*        A  18   5.748  -4.218 -13.872
  191    H2*    A  18           H2*        A  18   7.470  -4.221 -12.270
  192   2HO*    A  18          2HO*        A  18   8.885  -2.727 -14.232
  193    H1*    A  18           H1*        A  18   7.851  -1.455 -12.097
  194    H8     A  18           H8         A  18   4.208  -2.291 -11.764
  195   1H6     A  18          1H6         A  18   4.046  -3.243  -7.031
  196   2H6     A  18          2H6         A  18   5.284  -3.475  -5.818
  197    H2     A  18           H2         A  18   9.243  -3.064  -7.892
  198   1H5*    G  19          1H5*        G  19   9.660  -4.759 -13.735
  199   2H5*    G  19          2H5*        G  19  10.161  -6.423 -14.101
  200    H4*    G  19           H4*        G  19  10.809  -5.784 -11.806
  201    H3*    G  19           H3*        G  19   8.690  -7.932 -12.192
  202    H2*    G  19           H2*        G  19   8.606  -8.226  -9.845
  203   2HO*    G  19          2HO*        G  19  10.341  -6.683  -8.724
  204    H1*    G  19           H1*        G  19   8.754  -5.580  -9.142
  205    H8     G  19           H8         G  19   6.517  -6.188 -12.166
  206    H1     G  19           H1         G  19   3.580  -6.951  -6.566
  207   1H2     G  19          1H2         G  19   6.770  -6.695  -5.203
  208   2H2     G  19          2H2         G  19   5.060  -6.930  -4.920
  209   1H5*    G  20          1H5*        G  20  11.257  -9.312  -8.533
  210   2H5*    G  20          2H5*        G  20  11.318 -11.024  -9.001
  211    H4*    G  20           H4*        G  20  10.177 -10.480  -6.764
  212    H3*    G  20           H3*        G  20   8.963 -12.132  -8.994
  213    H2*    G  20           H2*        G  20   6.918 -12.143  -7.973
  214   2HO*    G  20          2HO*        G  20   7.222 -11.917  -5.395
  215    H1*    G  20           H1*        G  20   7.503 -10.046  -5.995
  216    H8     G  20           H8         G  20   6.656  -9.030  -9.531
  217    H1     G  20           H1         G  20   1.489 -10.173  -5.967
  218   1H2     G  20          1H2         G  20   3.763 -11.368  -3.611
  219   2H2     G  20          2H2         G  20   2.091 -11.084  -4.035
  220   1H5*    C  21          1H5*        C  21   8.505 -16.233  -4.619
  221   2H5*    C  21          2H5*        C  21   7.463 -16.012  -6.039
  222    H4*    C  21           H4*        C  21   7.140 -14.791  -3.274
  223    H3*    C  21           H3*        C  21   5.596 -16.740  -5.001
  224    H2*    C  21           H2*        C  21   3.559 -15.766  -4.374
  225   2HO*    C  21          2HO*        C  21   3.368 -15.873  -2.267
  226    H1*    C  21           H1*        C  21   4.614 -13.224  -3.566
  227   1H4     C  21          1H4         C  21   1.647 -11.742  -9.127
  228   2H4     C  21          2H4         C  21   0.285 -12.275  -8.171
  229    H5     C  21           H5         C  21   3.945 -11.990  -8.414
  230    H6     C  21           H6         C  21   5.406 -12.838  -6.661
  231   1H5*    C  22          1H5*        C  22   5.022 -20.545  -4.861
  232   2H5*    C  22          2H5*        C  22   5.511 -18.894  -5.290
  233    H4*    C  22           H4*        C  22   3.187 -19.174  -3.426
  234    H3*    C  22           H3*        C  22   3.191 -20.021  -6.334
  235    H2*    C  22           H2*        C  22   1.202 -18.917  -6.694
  236   2HO*    C  22          2HO*        C  22  -0.406 -19.231  -5.365
  237    H1*    C  22           H1*        C  22   1.452 -17.052  -4.508
  238   1H4     C  22          1H4         C  22   2.603 -13.787 -10.100
  239   2H4     C  22          2H4         C  22   0.889 -14.121 -10.215
  240    H5     C  22           H5         C  22   4.016 -14.708  -8.367
  241    H6     C  22           H6         C  22   4.084 -16.128  -6.393
  242    H3T    C  22           H3T        C  22   1.578 -21.455  -5.401
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  -9.660 -19.057 -11.596
    2   2H5*    G   1          2H5*        G   1 -10.977 -18.630 -10.484
    3    H4*    G   1           H4*        G   1  -9.332 -18.619  -8.916
    4    H3*    G   1           H3*        G   1  -9.199 -15.952 -10.289
    5    H2*    G   1           H2*        G   1  -6.971 -15.675  -9.823
    6   2HO*    G   1          2HO*        G   1  -8.054 -16.145  -7.303
    7    H1*    G   1           H1*        G   1  -6.687 -18.278  -8.394
    8    H8     G   1           H8         G   1  -5.940 -17.474 -12.060
    9    H1     G   1           H1         G   1  -0.813 -17.309  -8.274
   10   1H2     G   1          1H2         G   1  -3.109 -17.739  -5.689
   11   2H2     G   1          2H2         G   1  -1.442 -17.514  -6.158
   12    H5T    G   1           H5T        G   1 -10.854 -16.536 -11.132
   13   1H5*    G   2          1H5*        G   2  -9.693 -16.026  -5.611
   14   2H5*    G   2          2H5*        G   2 -10.088 -14.468  -4.857
   15    H4*    G   2           H4*        G   2  -8.046 -15.621  -3.899
   16    H3*    G   2           H3*        G   2  -8.092 -12.822  -5.001
   17    H2*    G   2           H2*        G   2  -5.819 -12.726  -5.246
   18   2HO*    G   2          2HO*        G   2  -4.505 -13.132  -3.509
   19    H1*    G   2           H1*        G   2  -5.272 -15.526  -4.498
   20    H8     G   2           H8         G   2  -6.134 -14.565  -8.054
   21    H1     G   2           H1         G   2   0.099 -14.099  -6.758
   22   1H2     G   2          1H2         G   2  -0.871 -14.669  -3.456
   23   2H2     G   2          2H2         G   2   0.436 -14.348  -4.574
   24   1H5*    C   3          1H5*        C   3  -5.578 -13.254  -1.095
   25   2H5*    C   3          2H5*        C   3  -5.712 -11.702  -0.244
   26    H4*    C   3           H4*        C   3  -3.336 -12.522  -0.708
   27    H3*    C   3           H3*        C   3  -4.452  -9.816  -1.382
   28    H2*    C   3           H2*        C   3  -2.832  -9.370  -2.944
   29   2HO*    C   3          2HO*        C   3  -0.552 -10.096  -2.261
   30    H1*    C   3           H1*        C   3  -1.482 -12.009  -2.748
   31   1H4     C   3          1H4         C   3  -2.811 -10.301  -9.015
   32   2H4     C   3          2H4         C   3  -1.070 -10.248  -8.858
   33    H5     C   3           H5         C   3  -4.291 -10.774  -7.168
   34    H6     C   3           H6         C   3  -4.417 -11.208  -4.764
   35   1H5*    C   4          1H5*        C   4   0.516 -11.010  -1.069
   36   2H5*    C   4          2H5*        C   4   1.363 -10.814   0.479
   37    H4*    C   4           H4*        C   4   2.400  -8.987  -0.304
   38    H3*    C   4           H3*        C   4  -0.463  -8.062  -0.585
   39    H2*    C   4           H2*        C   4  -0.043  -6.677  -2.312
   40   2HO*    C   4          2HO*        C   4   2.297  -5.690  -2.227
   41    H1*    C   4           H1*        C   4   2.685  -7.569  -2.912
   42   1H4     C   4          1H4         C   4  -1.749  -8.016  -7.819
   43   2H4     C   4          2H4         C   4  -0.202  -7.657  -8.558
   44    H5     C   4           H5         C   4  -2.031  -8.310  -5.427
   45    H6     C   4           H6         C   4  -0.903  -8.401  -3.288
   46   1H5*    G   5          1H5*        G   5   4.688  -5.034   0.031
   47   2H5*    G   5          2H5*        G   5   3.034  -4.468  -0.269
   48    H4*    G   5           H4*        G   5   5.184  -5.214  -2.251
   49    H3*    G   5           H3*        G   5   3.245  -2.914  -1.804
   50    H2*    G   5           H2*        G   5   3.297  -2.456  -4.119
   51   2HO*    G   5          2HO*        G   5   5.035  -2.819  -5.318
   52    H1*    G   5           H1*        G   5   3.445  -5.092  -5.004
   53    H8     G   5           H8         G   5   0.786  -4.643  -2.365
   54    H1     G   5           H1         G   5  -1.131  -2.768  -8.146
   55   1H2     G   5          1H2         G   5   2.238  -3.013  -9.003
   56   2H2     G   5          2H2         G   5   0.609  -2.637  -9.516
   57   1H5*    A   6          1H5*        A   6   5.864   0.786  -3.391
   58   2H5*    A   6          2H5*        A   6   4.974  -0.730  -3.629
   59    H4*    A   6           H4*        A   6   7.436  -1.482  -2.461
   60    H3*    A   6           H3*        A   6   7.756   0.822  -4.406
   61    H2*    A   6           H2*        A   6   9.496  -0.317  -5.541
   62   2HO*    A   6          2HO*        A   6   9.534  -2.460  -3.703
   63    H1*    A   6           H1*        A   6   8.389  -2.792  -5.604
   64    H8     A   6           H8         A   6   5.335  -1.006  -6.231
   65   1H6     A   6          1H6         A   6   5.976   0.647 -10.721
   66   2H6     A   6          2H6         A   6   7.382   0.799 -11.751
   67    H2     A   6           H2         A   6  10.886  -0.761  -9.411
   68   1H5*    A   7          1H5*        A   7  11.433   0.286  -2.858
   69   2H5*    A   7          2H5*        A   7  12.477   1.691  -2.553
   70    H4*    A   7           H4*        A   7  13.295   0.262  -4.430
   71    H3*    A   7           H3*        A   7  12.549   3.158  -4.779
   72    H2*    A   7           H2*        A   7  12.756   3.079  -7.109
   73   2HO*    A   7          2HO*        A   7  14.600   1.041  -6.497
   74    H1*    A   7           H1*        A   7  12.083   0.412  -7.578
   75    H8     A   7           H8         A   7   9.365   1.841  -5.525
   76   1H6     A   7          1H6         A   7   6.574   3.599  -9.032
   77   2H6     A   7          2H6         A   7   6.865   3.994 -10.710
   78    H2     A   7           H2         A   7  11.142   2.935 -11.568
   79   1H5*    A   8          1H5*        A   8  14.780   2.681  -8.251
   80   2H5*    A   8          2H5*        A   8  16.145   3.801  -8.059
   81    H4*    A   8           H4*        A   8  14.877   4.554  -9.957
   82    H3*    A   8           H3*        A   8  15.005   6.134  -7.490
   83    H2*    A   8           H2*        A   8  12.892   7.026  -7.530
   84   2HO*    A   8          2HO*        A   8  13.517   8.617  -8.917
   85    H1*    A   8           H1*        A   8  11.942   5.892 -10.057
   86    H8     A   8           H8         A   8  11.895   4.926  -6.295
   87   1H6     A   8          1H6         A   8   7.089   4.928  -5.753
   88   2H6     A   8          2H6         A   8   5.769   5.308  -6.836
   89    H2     A   8           H2         A   8   7.618   6.425 -10.787
   90   1H5*    U   9          1H5*        U   9  15.659  10.757  -9.206
   91   2H5*    U   9          2H5*        U   9  14.752  10.897  -7.692
   92    H4*    U   9           H4*        U   9  13.817  10.929 -10.519
   93    H3*    U   9           H3*        U   9  13.603  12.592  -8.161
   94    H2*    U   9           H2*        U   9  11.408  12.407  -7.640
   95   2HO*    U   9          2HO*        U   9  10.054  12.240  -9.890
   96    H1*    U   9           H1*        U   9  10.401  10.420  -9.374
   97    H3     U   9           H3         U   9   8.596   9.442  -5.345
   98    H5     U   9           H5         U   9  12.751   8.938  -4.813
   99    H6     U   9           H6         U   9  13.036   9.780  -7.080
  100   1H5*    C  10          1H5*        C  10  14.314  12.686 -12.005
  101   2H5*    C  10          2H5*        C  10  15.257  13.635 -13.172
  102    H4*    C  10           H4*        C  10  13.345  14.680 -14.058
  103    H3*    C  10           H3*        C  10  12.090  14.018 -11.379
  104    H2*    C  10           H2*        C  10   9.980  13.786 -12.375
  105   2HO*    C  10          2HO*        C  10   9.524  14.694 -14.443
  106    H1*    C  10           H1*        C  10  10.797  12.752 -14.831
  107   1H4     C  10          1H4         C  10   9.820   7.806 -10.575
  108   2H4     C  10          2H4         C  10   8.339   7.939 -11.496
  109    H5     C  10           H5         C  10  11.668   9.328 -10.829
  110    H6     C  10           H6         C  10  12.416  11.397 -11.898
  111   1H5*    C  11          1H5*        C  11   7.586  16.585 -12.645
  112   2H5*    C  11          2H5*        C  11   8.615  17.996 -12.962
  113    H4*    C  11           H4*        C  11   9.102  18.082 -10.477
  114    H3*    C  11           H3*        C  11   7.713  15.560 -10.523
  115    H2*    C  11           H2*        C  11   5.615  16.064  -9.720
  116   2HO*    C  11          2HO*        C  11   6.272  18.307  -8.228
  117    H1*    C  11           H1*        C  11   5.329  18.757  -9.992
  118   1H4     C  11          1H4         C  11   2.686  15.470 -14.958
  119   2H4     C  11          2H4         C  11   2.058  17.098 -15.088
  120    H5     C  11           H5         C  11   4.341  14.841 -13.313
  121    H6     C  11           H6         C  11   5.892  15.597 -11.670
  122   1H5*    C  12          1H5*        C  12   7.972  15.051  -6.473
  123   2H5*    C  12          2H5*        C  12   6.655  15.565  -7.547
  124    H4*    C  12           H4*        C  12   6.661  15.353  -4.529
  125    H3*    C  12           H3*        C  12   5.561  13.831  -6.726
  126    H2*    C  12           H2*        C  12   3.344  14.451  -6.698
  127   2HO*    C  12          2HO*        C  12   3.076  14.914  -3.988
  128    H1*    C  12           H1*        C  12   3.250  16.564  -4.880
  129   1H4     C  12          1H4         C  12   2.440  18.623 -11.120
  130   2H4     C  12          2H4         C  12   1.786  19.874 -10.086
  131    H5     C  12           H5         C  12   3.572  16.672 -10.276
  132    H6     C  12           H6         C  12   4.254  15.456  -8.269
  133   1H5*    G  13          1H5*        G  13   1.885  13.149  -5.166
  134   2H5*    G  13          2H5*        G  13   1.629  11.450  -5.612
  135    H4*    G  13           H4*        G  13   0.730  13.381  -7.181
  136    H3*    G  13           H3*        G  13   1.985  10.746  -7.833
  137    H2*    G  13           H2*        G  13   2.246  11.242 -10.133
  138   2HO*    G  13          2HO*        G  13   0.053  12.752  -9.670
  139    H1*    G  13           H1*        G  13   3.127  13.772  -9.948
  140    H8     G  13           H8         G  13   4.484  12.029  -6.960
  141    H1     G  13           H1         G  13   7.478  10.245 -12.302
  142   1H2     G  13          1H2         G  13   5.039  12.107 -13.932
  143   2H2     G  13          2H2         G  13   6.498  11.146 -14.060
  144   1H5*    A  14          1H5*        A  14   0.244  10.877 -11.984
  145   2H5*    A  14          2H5*        A  14  -0.154   9.151 -11.894
  146    H4*    A  14           H4*        A  14   1.880   9.996 -13.366
  147    H3*    A  14           H3*        A  14   1.347   7.511 -11.883
  148    H2*    A  14           H2*        A  14   3.510   6.899 -11.343
  149   2HO*    A  14          2HO*        A  14   5.183   7.157 -12.761
  150    H1*    A  14           H1*        A  14   4.915   9.256 -11.400
  151    H8     A  14           H8         A  14   1.617   8.959  -9.457
  152   1H6     A  14          1H6         A  14   3.471   7.945  -5.114
  153   2H6     A  14          2H6         A  14   5.107   7.713  -4.540
  154    H2     A  14           H2         A  14   7.803   8.051  -8.130
  155   1H5*    A  15          1H5*        A  15   1.786   4.804 -11.987
  156   2H5*    A  15          2H5*        A  15   0.593   3.961 -13.003
  157    H4*    A  15           H4*        A  15  -1.079   4.088 -11.371
  158    H3*    A  15           H3*        A  15  -0.378   6.677 -10.926
  159    H2*    A  15           H2*        A  15   1.693   6.207  -9.797
  160   2HO*    A  15          2HO*        A  15   1.306   6.704  -7.650
  161    H1*    A  15           H1*        A  15   0.327   4.067  -8.158
  162    H8     A  15           H8         A  15   3.473   4.533 -10.424
  163   1H6     A  15          1H6         A  15   6.715   2.712  -7.338
  164   2H6     A  15          2H6         A  15   6.602   2.116  -5.697
  165    H2     A  15           H2         A  15   2.280   2.405  -4.502
  166   1H5*    G  16          1H5*        G  16  -5.021   3.733  -8.892
  167   2H5*    G  16          2H5*        G  16  -3.762   4.693  -8.090
  168    H4*    G  16           H4*        G  16  -2.146   3.266  -9.642
  169    H3*    G  16           H3*        G  16  -4.707   1.948 -10.083
  170    H2*    G  16           H2*        G  16  -4.502   0.387  -8.372
  171   2HO*    G  16          2HO*        G  16  -2.172  -0.757  -9.231
  172    H1*    G  16           H1*        G  16  -1.525   0.780  -8.132
  173    H8     G  16           H8         G  16  -4.915   0.771  -6.267
  174    H1     G  16           H1         G  16   0.008  -1.407  -2.849
  175   1H2     G  16          1H2         G  16   1.911  -0.586  -5.654
  176   2H2     G  16          2H2         G  16   1.884  -1.220  -4.023
  177   1H5*    U  17          1H5*        U  17  -1.314  -0.689 -13.275
  178   2H5*    U  17          2H5*        U  17  -1.280   0.392 -11.867
  179    H4*    U  17           H4*        U  17  -0.320   1.512 -14.469
  180    H3*    U  17           H3*        U  17   0.996  -0.789 -13.026
  181    H2*    U  17           H2*        U  17   3.107   0.267 -13.079
  182   2HO*    U  17          2HO*        U  17   2.160   1.243 -15.393
  183    H1*    U  17           H1*        U  17   2.343   2.830 -12.593
  184    H3     U  17           H3         U  17   4.715   0.549  -9.308
  185    H5     U  17           H5         U  17   0.657   0.575  -8.192
  186    H6     U  17           H6         U  17   0.129   1.393 -10.417
  187   1H5*    A  18          1H5*        A  18   4.650  -1.733 -16.953
  188   2H5*    A  18          2H5*        A  18   4.014  -3.126 -16.054
  189    H4*    A  18           H4*        A  18   6.468  -1.649 -15.629
  190    H3*    A  18           H3*        A  18   5.151  -4.140 -14.490
  191    H2*    A  18           H2*        A  18   6.659  -4.109 -12.693
  192   2HO*    A  18          2HO*        A  18   8.517  -2.364 -13.138
  193    H1*    A  18           H1*        A  18   7.005  -1.319 -12.523
  194    H8     A  18           H8         A  18   3.377  -1.909 -12.317
  195   1H6     A  18          1H6         A  18   2.939  -3.294  -7.715
  196   2H6     A  18          2H6         A  18   4.096  -3.791  -6.498
  197    H2     A  18           H2         A  18   8.159  -3.558  -8.395
  198   1H5*    G  19          1H5*        G  19   8.705  -4.474 -14.470
  199   2H5*    G  19          2H5*        G  19   9.801  -5.844 -14.741
  200    H4*    G  19           H4*        G  19   9.894  -5.376 -12.392
  201    H3*    G  19           H3*        G  19   8.128  -7.737 -13.110
  202    H2*    G  19           H2*        G  19   7.678  -8.088 -10.833
  203   2HO*    G  19          2HO*        G  19   9.378  -6.229  -9.728
  204    H1*    G  19           H1*        G  19   7.661  -5.429 -10.048
  205    H8     G  19           H8         G  19   5.508  -6.081 -13.091
  206    H1     G  19           H1         G  19   2.642  -7.350  -7.534
  207   1H2     G  19          1H2         G  19   5.813  -6.904  -6.165
  208   2H2     G  19          2H2         G  19   4.122  -7.250  -5.885
  209   1H5*    G  20          1H5*        G  20  10.670 -10.488 -10.638
  210   2H5*    G  20          2H5*        G  20   9.429  -9.380 -11.246
  211    H4*    G  20           H4*        G  20   9.789  -9.641  -8.264
  212    H3*    G  20           H3*        G  20   8.816 -11.772 -10.144
  213    H2*    G  20           H2*        G  20   6.720 -11.821  -9.254
  214   2HO*    G  20          2HO*        G  20   7.400 -11.375  -6.597
  215    H1*    G  20           H1*        G  20   7.146  -9.588  -7.339
  216    H8     G  20           H8         G  20   5.883  -9.062 -10.853
  217    H1     G  20           H1         G  20   1.190 -10.399  -6.758
  218   1H2     G  20          1H2         G  20   3.762 -10.969  -4.478
  219   2H2     G  20          2H2         G  20   2.040 -10.952  -4.788
  220   1H5*    C  21          1H5*        C  21   9.191 -12.656  -4.202
  221   2H5*    C  21          2H5*        C  21   9.181 -14.397  -4.547
  222    H4*    C  21           H4*        C  21   7.074 -12.937  -3.468
  223    H3*    C  21           H3*        C  21   7.398 -15.663  -4.696
  224    H2*    C  21           H2*        C  21   5.241 -15.670  -5.509
  225   2HO*    C  21          2HO*        C  21   4.003 -14.524  -3.309
  226    H1*    C  21           H1*        C  21   4.607 -12.977  -4.370
  227   1H4     C  21          1H4         C  21   2.091 -13.099 -10.396
  228   2H4     C  21          2H4         C  21   0.750 -13.550  -9.366
  229    H5     C  21           H5         C  21   4.340 -12.807  -9.557
  230    H6     C  21           H6         C  21   5.795 -12.953  -7.637
  231   1H5*    C  22          1H5*        C  22   5.372 -17.478  -1.140
  232   2H5*    C  22          2H5*        C  22   5.084 -16.708  -2.715
  233    H4*    C  22           H4*        C  22   2.925 -17.187  -0.622
  234    H3*    C  22           H3*        C  22   3.834 -18.788  -3.032
  235    H2*    C  22           H2*        C  22   1.607 -19.368  -3.478
  236   2HO*    C  22          2HO*        C  22   0.224 -19.688  -1.906
  237    H1*    C  22           H1*        C  22   0.485 -16.920  -2.775
  238   1H4     C  22          1H4         C  22   2.439 -16.763  -9.108
  239   2H4     C  22          2H4         C  22   0.704 -16.989  -9.131
  240    H5     C  22           H5         C  22   3.740 -16.720  -7.076
  241    H6     C  22           H6         C  22   3.651 -16.869  -4.628
  242    H3T    C  22           H3T        C  22   4.158 -20.153  -1.450
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -9.921 -17.613 -12.445
    2   2H5*    G   1          2H5*        G   1 -10.395 -15.905 -12.542
    3    H4*    G   1           H4*        G   1 -10.217 -16.839 -10.189
    4    H3*    G   1           H3*        G   1  -8.681 -14.418 -11.164
    5    H2*    G   1           H2*        G   1  -7.606 -14.199  -9.101
    6   2HO*    G   1          2HO*        G   1  -9.900 -14.773  -8.114
    7    H1*    G   1           H1*        G   1  -7.361 -16.878  -8.439
    8    H8     G   1           H8         G   1  -6.492 -15.114 -11.775
    9    H1     G   1           H1         G   1  -1.511 -16.411  -8.015
   10   1H2     G   1          1H2         G   1  -3.911 -17.644  -5.807
   11   2H2     G   1          2H2         G   1  -2.219 -17.355  -6.135
   12    H5T    G   1           H5T        G   1  -7.910 -17.116 -13.030
   13   1H5*    G   2          1H5*        G   2  -9.142 -11.635  -6.801
   14   2H5*    G   2          2H5*        G   2  -8.179 -12.332  -8.117
   15    H4*    G   2           H4*        G   2  -8.858 -14.042  -5.730
   16    H3*    G   2           H3*        G   2  -6.899 -11.729  -5.794
   17    H2*    G   2           H2*        G   2  -5.285 -13.044  -4.690
   18   2HO*    G   2          2HO*        G   2  -7.529 -14.232  -3.645
   19    H1*    G   2           H1*        G   2  -5.834 -15.471  -5.869
   20    H8     G   2           H8         G   2  -5.703 -13.220  -8.721
   21    H1     G   2           H1         G   2   0.092 -13.915  -6.157
   22   1H2     G   2          1H2         G   2  -1.613 -15.301  -3.452
   23   2H2     G   2          2H2         G   2  -0.077 -14.835  -4.147
   24   1H5*    C   3          1H5*        C   3  -6.075 -12.540  -1.400
   25   2H5*    C   3          2H5*        C   3  -5.678 -10.841  -1.067
   26    H4*    C   3           H4*        C   3  -3.818 -12.837  -1.283
   27    H3*    C   3           H3*        C   3  -3.761  -9.849  -1.603
   28    H2*    C   3           H2*        C   3  -1.903  -9.872  -2.967
   29   2HO*    C   3          2HO*        C   3  -1.062 -11.587  -0.926
   30    H1*    C   3           H1*        C   3  -1.730 -12.791  -3.307
   31   1H4     C   3          1H4         C   3  -2.232  -9.920  -9.215
   32   2H4     C   3          2H4         C   3  -0.510  -9.936  -8.903
   33    H5     C   3           H5         C   3  -3.877 -10.557  -7.564
   34    H6     C   3           H6         C   3  -4.225 -11.307  -5.278
   35   1H5*    C   4          1H5*        C   4   0.956 -10.330  -0.323
   36   2H5*    C   4          2H5*        C   4   0.581  -9.307   1.081
   37    H4*    C   4           H4*        C   4   2.187  -8.027  -0.038
   38    H3*    C   4           H3*        C   4  -0.624  -7.225  -0.779
   39    H2*    C   4           H2*        C   4   0.019  -6.047  -2.606
   40   2HO*    C   4          2HO*        C   4   1.196  -4.655  -0.978
   41    H1*    C   4           H1*        C   4   2.788  -6.985  -2.759
   42   1H4     C   4          1H4         C   4  -1.027  -7.975  -8.078
   43   2H4     C   4          2H4         C   4   0.599  -7.666  -8.654
   44    H5     C   4           H5         C   4  -1.602  -8.028  -5.711
   45    H6     C   4           H6         C   4  -0.736  -7.908  -3.452
   46   1H5*    G   5          1H5*        G   5   5.064  -6.471  -0.975
   47   2H5*    G   5          2H5*        G   5   4.679  -4.972  -0.111
   48    H4*    G   5           H4*        G   5   5.440  -5.008  -2.700
   49    H3*    G   5           H3*        G   5   3.425  -3.155  -1.351
   50    H2*    G   5           H2*        G   5   3.209  -2.071  -3.411
   51   2HO*    G   5          2HO*        G   5   5.858  -2.487  -3.478
   52    H1*    G   5           H1*        G   5   3.947  -4.353  -5.013
   53    H8     G   5           H8         G   5   0.856  -4.027  -2.721
   54    H1     G   5           H1         G   5  -0.306  -2.863  -8.873
   55   1H2     G   5          1H2         G   5   3.148  -3.108  -9.258
   56   2H2     G   5          2H2         G   5   1.594  -2.838 -10.013
   57   1H5*    A   6          1H5*        A   6   5.974   1.339  -2.751
   58   2H5*    A   6          2H5*        A   6   5.462   0.632  -4.297
   59    H4*    A   6           H4*        A   6   7.702  -0.496  -2.578
   60    H3*    A   6           H3*        A   6   7.713   1.636  -4.712
   61    H2*    A   6           H2*        A   6   9.580   0.653  -5.796
   62   2HO*    A   6          2HO*        A   6   9.918  -0.638  -3.295
   63    H1*    A   6           H1*        A   6   8.847  -1.950  -5.629
   64    H8     A   6           H8         A   6   5.553  -0.686  -6.321
   65   1H6     A   6          1H6         A   6   5.901   0.650 -10.948
   66   2H6     A   6          2H6         A   6   7.259   0.919 -12.016
   67    H2     A   6           H2         A   6  10.977   0.094  -9.626
   68   1H5*    A   7          1H5*        A   7  13.347   2.683  -3.512
   69   2H5*    A   7          2H5*        A   7  12.189   3.929  -4.014
   70    H4*    A   7           H4*        A   7  13.496   1.775  -5.612
   71    H3*    A   7           H3*        A   7  12.669   4.656  -5.962
   72    H2*    A   7           H2*        A   7  12.029   4.336  -8.160
   73   2HO*    A   7          2HO*        A   7  13.228   3.064  -9.554
   74    H1*    A   7           H1*        A   7  11.860   1.447  -8.128
   75    H8     A   7           H8         A   7   9.097   2.740  -6.163
   76   1H6     A   7          1H6         A   7   5.799   3.281  -9.658
   77   2H6     A   7          2H6         A   7   5.924   3.438 -11.396
   78    H2     A   7           H2         A   7  10.275   3.147 -12.425
   79   1H5*    A   8          1H5*        A   8  14.307   7.179  -8.355
   80   2H5*    A   8          2H5*        A   8  12.769   6.398  -7.953
   81    H4*    A   8           H4*        A   8  13.932   6.456 -10.744
   82    H3*    A   8           H3*        A   8  12.935   8.664  -9.309
   83    H2*    A   8           H2*        A   8  10.689   8.311  -9.356
   84   2HO*    A   8          2HO*        A   8  11.425   9.391 -11.662
   85    H1*    A   8           H1*        A   8  10.496   6.490 -11.637
   86    H8     A   8           H8         A   8  10.664   6.098  -7.857
   87   1H6     A   8          1H6         A   8   5.926   5.146  -7.175
   88   2H6     A   8          2H6         A   8   4.572   5.066  -8.280
   89    H2     A   8           H2         A   8   6.194   5.999 -12.394
   90   1H5*    U   9          1H5*        U   9  13.953   7.422 -14.324
   91   2H5*    U   9          2H5*        U   9  14.893   8.509 -15.359
   92    H4*    U   9           H4*        U   9  13.132   9.982 -15.663
   93    H3*    U   9           H3*        U   9  12.680   9.584 -12.893
   94    H2*    U   9           H2*        U   9  10.732   8.330 -12.769
   95   2HO*    U   9          2HO*        U   9   8.951   9.259 -13.465
   96    H1*    U   9           H1*        U   9  10.068   7.638 -15.340
   97    H3     U   9           H3         U   9  11.331   3.319 -15.329
   98    H5     U   9           H5         U   9  13.168   4.904 -11.902
   99    H6     U   9           H6         U   9  12.374   7.114 -12.566
  100   1H5*    C  10          1H5*        C  10  12.051  15.348 -14.863
  101   2H5*    C  10          2H5*        C  10  12.140  14.389 -13.372
  102    H4*    C  10           H4*        C  10   9.731  15.115 -15.038
  103    H3*    C  10           H3*        C  10  10.675  15.469 -12.220
  104    H2*    C  10           H2*        C  10   8.727  14.750 -11.219
  105   2HO*    C  10          2HO*        C  10   6.681  14.908 -12.309
  106    H1*    C  10           H1*        C  10   7.699  12.989 -13.090
  107   1H4     C  10          1H4         C  10  11.725  10.077  -8.702
  108   2H4     C  10          2H4         C  10  10.280  10.410  -7.774
  109    H5     C  10           H5         C  10  12.023  10.825 -10.975
  110    H6     C  10           H6         C  10  10.982  11.944 -12.867
  111   1H5*    C  11          1H5*        C  11   9.080  18.717  -9.619
  112   2H5*    C  11          2H5*        C  11  10.062  17.451  -8.854
  113    H4*    C  11           H4*        C  11   7.157  17.349  -9.700
  114    H3*    C  11           H3*        C  11   8.679  17.329  -7.155
  115    H2*    C  11           H2*        C  11   7.928  15.267  -6.327
  116   2HO*    C  11          2HO*        C  11   5.939  14.848  -8.237
  117    H1*    C  11           H1*        C  11   7.832  13.747  -8.524
  118   1H4     C  11          1H4         C  11  14.039  13.947  -6.473
  119   2H4     C  11          2H4         C  11  14.363  14.468  -8.111
  120    H5     C  11           H5         C  11  11.816  13.747  -5.570
  121    H6     C  11           H6         C  11   9.433  13.905  -6.058
  122   1H5*    C  12          1H5*        C  12   5.248  15.559  -6.084
  123   2H5*    C  12          2H5*        C  12   4.180  16.759  -5.328
  124    H4*    C  12           H4*        C  12   3.886  14.794  -4.052
  125    H3*    C  12           H3*        C  12   5.395  16.996  -2.831
  126    H2*    C  12           H2*        C  12   6.773  15.801  -1.431
  127   2HO*    C  12          2HO*        C  12   4.747  15.142  -0.337
  128    H1*    C  12           H1*        C  12   6.551  13.154  -2.362
  129   1H4     C  12          1H4         C  12  12.202  15.927  -4.413
  130   2H4     C  12          2H4         C  12  12.636  14.626  -3.327
  131    H5     C  12           H5         C  12   9.918  16.547  -4.884
  132    H6     C  12           H6         C  12   7.568  16.100  -4.359
  133   1H5*    G  13          1H5*        G  13   0.723  14.173  -3.083
  134   2H5*    G  13          2H5*        G  13   2.257  13.278  -3.127
  135    H4*    G  13           H4*        G  13   0.195  13.659  -5.259
  136    H3*    G  13           H3*        G  13   1.898  11.433  -4.152
  137    H2*    G  13           H2*        G  13   2.231  10.451  -6.258
  138   2HO*    G  13          2HO*        G  13   0.160  12.116  -7.311
  139    H1*    G  13           H1*        G  13   2.471  12.688  -7.809
  140    H8     G  13           H8         G  13   4.128  12.646  -4.313
  141    H1     G  13           H1         G  13   7.877  10.645  -9.047
  142   1H2     G  13          1H2         G  13   5.069  11.083 -11.056
  143   2H2     G  13          2H2         G  13   6.765  10.663 -10.960
  144   1H5*    A  14          1H5*        A  14   0.099   7.168  -6.041
  145   2H5*    A  14          2H5*        A  14   1.422   8.279  -5.633
  146    H4*    A  14           H4*        A  14   0.067   8.648  -8.278
  147    H3*    A  14           H3*        A  14   1.245   6.095  -7.519
  148    H2*    A  14           H2*        A  14   3.351   6.345  -8.332
  149   2HO*    A  14          2HO*        A  14   2.757   7.484 -10.755
  150    H1*    A  14           H1*        A  14   3.152   8.927  -9.632
  151    H8     A  14           H8         A  14   3.835   8.683  -5.894
  152   1H6     A  14          1H6         A  14   8.678   8.566  -6.086
  153   2H6     A  14          2H6         A  14   9.810   8.468  -7.415
  154    H2     A  14           H2         A  14   7.355   8.234 -11.189
  155   1H5*    A  15          1H5*        A  15   1.575   5.325 -10.653
  156   2H5*    A  15          2H5*        A  15   1.776   5.052 -12.396
  157    H4*    A  15           H4*        A  15  -0.406   4.012 -12.541
  158    H3*    A  15           H3*        A  15  -1.328   5.627 -10.599
  159    H2*    A  15           H2*        A  15  -0.033   4.918  -8.762
  160   2HO*    A  15          2HO*        A  15  -2.430   4.025  -8.691
  161    H1*    A  15           H1*        A  15  -0.025   2.039  -9.294
  162    H8     A  15           H8         A  15   3.061   3.930 -10.456
  163   1H6     A  15          1H6         A  15   5.925   2.935  -6.727
  164   2H6     A  15          2H6         A  15   5.620   2.362  -5.101
  165    H2     A  15           H2         A  15   1.197   1.684  -4.761
  166   1H5*    G  16          1H5*        G  16  -4.917   1.881 -11.242
  167   2H5*    G  16          2H5*        G  16  -5.348   1.586  -9.545
  168    H4*    G  16           H4*        G  16  -2.489   1.960 -10.497
  169    H3*    G  16           H3*        G  16  -4.138  -0.286 -11.071
  170    H2*    G  16           H2*        G  16  -4.183  -1.101  -8.840
  171   2HO*    G  16          2HO*        G  16  -2.925  -2.811  -8.981
  172    H1*    G  16           H1*        G  16  -1.380  -0.002  -8.463
  173    H8     G  16           H8         G  16  -4.837  -0.337  -6.715
  174    H1     G  16           H1         G  16   0.223  -1.337  -2.960
  175   1H2     G  16          1H2         G  16   2.082  -0.592  -5.816
  176   2H2     G  16          2H2         G  16   2.087  -1.004  -4.116
  177   1H5*    U  17          1H5*        U  17  -1.538   0.552 -13.940
  178   2H5*    U  17          2H5*        U  17  -0.950  -0.657 -15.099
  179    H4*    U  17           H4*        U  17   0.493   1.286 -15.229
  180    H3*    U  17           H3*        U  17   1.626  -1.192 -13.908
  181    H2*    U  17           H2*        U  17   3.632  -0.082 -13.405
  182   2HO*    U  17          2HO*        U  17   3.941   2.099 -14.531
  183    H1*    U  17           H1*        U  17   2.619   2.491 -12.998
  184    H3     U  17           H3         U  17   4.894   0.573  -9.412
  185    H5     U  17           H5         U  17   0.780  -0.012  -8.805
  186    H6     U  17           H6         U  17   0.406   0.696 -11.096
  187   1H5*    A  18          1H5*        A  18   4.764  -3.681 -16.478
  188   2H5*    A  18          2H5*        A  18   4.202  -3.883 -14.805
  189    H4*    A  18           H4*        A  18   6.804  -2.759 -15.830
  190    H3*    A  18           H3*        A  18   5.895  -4.841 -13.829
  191    H2*    A  18           H2*        A  18   7.726  -4.370 -12.417
  192   2HO*    A  18          2HO*        A  18   9.020  -2.551 -14.066
  193    H1*    A  18           H1*        A  18   7.765  -1.644 -12.669
  194    H8     A  18           H8         A  18   4.165  -2.252 -12.434
  195   1H6     A  18          1H6         A  18   3.656  -3.239  -7.737
  196   2H6     A  18          2H6         A  18   4.798  -3.563  -6.451
  197    H2     A  18           H2         A  18   8.894  -3.485  -8.296
  198   1H5*    G  19          1H5*        G  19   9.519  -5.305 -13.880
  199   2H5*    G  19          2H5*        G  19  10.244  -6.904 -14.146
  200    H4*    G  19           H4*        G  19  10.965  -6.156 -11.981
  201    H3*    G  19           H3*        G  19   8.854  -8.320 -12.016
  202    H2*    G  19           H2*        G  19   8.669  -8.289  -9.660
  203   2HO*    G  19          2HO*        G  19  10.279  -6.771  -8.533
  204    H1*    G  19           H1*        G  19   8.710  -5.612  -9.269
  205    H8     G  19           H8         G  19   6.879  -6.410 -12.497
  206    H1     G  19           H1         G  19   3.272  -7.114  -7.292
  207   1H2     G  19          1H2         G  19   6.250  -6.661  -5.544
  208   2H2     G  19          2H2         G  19   4.529  -6.962  -5.472
  209   1H5*    G  20          1H5*        G  20  10.977  -8.587  -8.318
  210   2H5*    G  20          2H5*        G  20  11.560 -10.263  -8.224
  211    H4*    G  20           H4*        G  20  10.162  -9.627  -6.256
  212    H3*    G  20           H3*        G  20   9.381 -11.834  -8.158
  213    H2*    G  20           H2*        G  20   7.239 -11.926  -7.369
  214   2HO*    G  20          2HO*        G  20   8.649 -12.105  -5.055
  215    H1*    G  20           H1*        G  20   7.371  -9.522  -5.681
  216    H8     G  20           H8         G  20   6.672  -9.089  -9.344
  217    H1     G  20           H1         G  20   1.459 -10.603  -5.981
  218   1H2     G  20          1H2         G  20   3.695 -11.225  -3.389
  219   2H2     G  20          2H2         G  20   2.031 -11.211  -3.931
  220   1H5*    C  21          1H5*        C  21   9.067 -14.094  -3.419
  221   2H5*    C  21          2H5*        C  21   8.819 -15.624  -4.281
  222    H4*    C  21           H4*        C  21   6.967 -14.360  -2.623
  223    H3*    C  21           H3*        C  21   6.886 -16.585  -4.651
  224    H2*    C  21           H2*        C  21   4.665 -16.221  -5.146
  225   2HO*    C  21          2HO*        C  21   4.565 -16.247  -2.337
  226    H1*    C  21           H1*        C  21   4.373 -13.812  -3.435
  227   1H4     C  21          1H4         C  21   2.201 -12.216  -9.378
  228   2H4     C  21          2H4         C  21   0.768 -12.810  -8.568
  229    H5     C  21           H5         C  21   4.404 -12.324  -8.392
  230    H6     C  21           H6         C  21   5.715 -13.086  -6.509
  231   1H5*    C  22          1H5*        C  22   4.239 -20.137  -1.509
  232   2H5*    C  22          2H5*        C  22   4.054 -20.184  -3.273
  233    H4*    C  22           H4*        C  22   2.064 -19.600  -1.187
  234    H3*    C  22           H3*        C  22   2.069 -20.397  -4.115
  235    H2*    C  22           H2*        C  22  -0.197 -19.807  -4.260
  236   2HO*    C  22          2HO*        C  22  -0.227 -19.582  -1.408
  237    H1*    C  22           H1*        C  22  -0.036 -17.530  -2.697
  238   1H4     C  22          1H4         C  22   1.865 -15.773  -8.756
  239   2H4     C  22          2H4         C  22   0.123 -15.886  -8.876
  240    H5     C  22           H5         C  22   3.100 -16.447  -6.800
  241    H6     C  22           H6         C  22   2.932 -17.384  -4.539
  242    H3T    C  22           H3T        C  22   0.439 -21.707  -2.371
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -9.208 -17.613 -13.253
    2   2H5*    G   1          2H5*        G   1  -9.226 -15.839 -13.173
    3    H4*    G   1           H4*        G   1  -8.652 -17.471 -11.051
    4    H3*    G   1           H3*        G   1  -8.047 -14.609 -11.737
    5    H2*    G   1           H2*        G   1  -6.160 -14.539 -10.444
    6   2HO*    G   1          2HO*        G   1  -6.355 -15.599  -8.250
    7    H1*    G   1           H1*        G   1  -6.207 -17.386  -9.627
    8    H8     G   1           H8         G   1  -4.561 -15.831 -12.708
    9    H1     G   1           H1         G   1  -0.597 -16.610  -7.780
   10   1H2     G   1          1H2         G   1  -3.470 -17.538  -6.034
   11   2H2     G   1          2H2         G   1  -1.743 -17.262  -5.994
   12    H5T    G   1           H5T        G   1  -7.926 -16.932 -14.881
   13   1H5*    G   2          1H5*        G   2  -9.581 -12.573  -6.697
   14   2H5*    G   2          2H5*        G   2  -8.071 -12.549  -7.630
   15    H4*    G   2           H4*        G   2  -8.702 -14.170  -5.143
   16    H3*    G   2           H3*        G   2  -6.905 -11.848  -5.842
   17    H2*    G   2           H2*        G   2  -5.121 -12.731  -4.581
   18   2HO*    G   2          2HO*        G   2  -6.769 -14.729  -3.429
   19    H1*    G   2           H1*        G   2  -5.424 -15.375  -5.128
   20    H8     G   2           H8         G   2  -5.924 -13.759  -8.404
   21    H1     G   2           H1         G   2   0.180 -13.514  -6.554
   22   1H2     G   2          1H2         G   2  -1.051 -14.434  -3.433
   23   2H2     G   2          2H2         G   2   0.339 -14.009  -4.406
   24   1H5*    C   3          1H5*        C   3  -5.749 -12.060  -0.146
   25   2H5*    C   3          2H5*        C   3  -5.998 -10.444  -0.834
   26    H4*    C   3           H4*        C   3  -3.587 -12.093  -0.782
   27    H3*    C   3           H3*        C   3  -4.323  -9.205  -1.249
   28    H2*    C   3           H2*        C   3  -2.762  -8.959  -2.917
   29   2HO*    C   3          2HO*        C   3  -0.733 -10.524  -1.944
   30    H1*    C   3           H1*        C   3  -1.864 -11.802  -2.866
   31   1H4     C   3          1H4         C   3  -3.079  -9.871  -9.075
   32   2H4     C   3          2H4         C   3  -1.336  -9.914  -8.926
   33    H5     C   3           H5         C   3  -4.574 -10.291  -7.218
   34    H6     C   3           H6         C   3  -4.706 -10.674  -4.807
   35   1H5*    C   4          1H5*        C   4   0.858 -11.069  -0.729
   36   2H5*    C   4          2H5*        C   4   1.453 -10.648   0.890
   37    H4*    C   4           H4*        C   4   2.707  -9.078  -0.130
   38    H3*    C   4           H3*        C   4  -0.089  -7.941  -0.290
   39    H2*    C   4           H2*        C   4   0.368  -6.582  -2.032
   40   2HO*    C   4          2HO*        C   4   2.885  -5.898  -1.961
   41    H1*    C   4           H1*        C   4   2.982  -7.688  -2.750
   42   1H4     C   4          1H4         C   4  -1.681  -7.798  -7.460
   43   2H4     C   4          2H4         C   4  -0.148  -7.517  -8.260
   44    H5     C   4           H5         C   4  -1.884  -8.072  -5.050
   45    H6     C   4           H6         C   4  -0.673  -8.260  -2.964
   46   1H5*    G   5          1H5*        G   5   5.048  -4.994   0.460
   47   2H5*    G   5          2H5*        G   5   3.379  -4.533   0.069
   48    H4*    G   5           H4*        G   5   5.700  -5.055  -1.794
   49    H3*    G   5           H3*        G   5   3.656  -2.861  -1.319
   50    H2*    G   5           H2*        G   5   3.702  -2.298  -3.601
   51   2HO*    G   5          2HO*        G   5   5.827  -3.895  -4.384
   52    H1*    G   5           H1*        G   5   4.100  -4.861  -4.643
   53    H8     G   5           H8         G   5   1.298  -4.603  -2.084
   54    H1     G   5           H1         G   5  -0.518  -2.872  -7.935
   55   1H2     G   5          1H2         G   5   2.876  -3.029  -8.708
   56   2H2     G   5          2H2         G   5   1.249  -2.707  -9.264
   57   1H5*    A   6          1H5*        A   6   6.351   0.635  -3.400
   58   2H5*    A   6          2H5*        A   6   5.674  -0.999  -3.263
   59    H4*    A   6           H4*        A   6   8.358  -1.468  -2.828
   60    H3*    A   6           H3*        A   6   8.053   0.882  -4.738
   61    H2*    A   6           H2*        A   6   9.860  -0.043  -6.008
   62   2HO*    A   6          2HO*        A   6  11.395  -0.981  -4.892
   63    H1*    A   6           H1*        A   6   8.955  -2.619  -5.946
   64    H8     A   6           H8         A   6   5.751  -1.069  -6.486
   65   1H6     A   6          1H6         A   6   6.120   0.588 -11.003
   66   2H6     A   6          2H6         A   6   7.474   0.821 -12.084
   67    H2     A   6           H2         A   6  11.160  -0.451  -9.851
   68   1H5*    A   7          1H5*        A   7  13.149   1.568  -3.040
   69   2H5*    A   7          2H5*        A   7  11.489   1.903  -3.571
   70    H4*    A   7           H4*        A   7  13.520   0.306  -5.184
   71    H3*    A   7           H3*        A   7  12.809   3.252  -5.164
   72    H2*    A   7           H2*        A   7  12.720   3.294  -7.504
   73   2HO*    A   7          2HO*        A   7  14.377   0.962  -7.463
   74    H1*    A   7           H1*        A   7  12.119   0.546  -7.936
   75    H8     A   7           H8         A   7   9.398   2.050  -5.950
   76   1H6     A   7          1H6         A   7   6.517   3.387  -9.568
   77   2H6     A   7          2H6         A   7   6.796   3.686 -11.270
   78    H2     A   7           H2         A   7  11.149   2.844 -12.036
   79   1H5*    A   8          1H5*        A   8  14.839   2.860  -8.938
   80   2H5*    A   8          2H5*        A   8  16.127   4.077  -8.817
   81    H4*    A   8           H4*        A   8  14.636   4.728 -10.605
   82    H3*    A   8           H3*        A   8  14.927   6.312  -8.165
   83    H2*    A   8           H2*        A   8  12.758   6.967  -7.929
   84   2HO*    A   8          2HO*        A   8  11.967   8.380  -9.507
   85    H1*    A   8           H1*        A   8  11.838   5.966 -10.514
   86    H8     A   8           H8         A   8  11.770   5.187  -6.927
   87   1H6     A   8          1H6         A   8   6.956   4.946  -6.287
   88   2H6     A   8          2H6         A   8   5.618   5.174  -7.390
   89    H2     A   8           H2         A   8   7.393   6.073 -11.425
   90   1H5*    U   9          1H5*        U   9  13.084   8.536 -13.718
   91   2H5*    U   9          2H5*        U   9  14.588   9.322 -13.192
   92    H4*    U   9           H4*        U   9  13.431  11.208 -12.785
   93    H3*    U   9           H3*        U   9  12.879   9.639 -10.534
   94    H2*    U   9           H2*        U   9  10.615   9.125 -10.618
   95   2HO*    U   9          2HO*        U   9   9.124  10.851 -10.771
   96    H1*    U   9           H1*        U   9   9.627  10.212 -12.941
   97    H3     U   9           H3         U   9   9.251   6.372 -15.286
   98    H5     U   9           H5         U   9  11.916   5.386 -12.164
   99    H6     U   9           H6         U   9  11.862   7.735 -11.486
  100   1H5*    C  10          1H5*        C  10  14.832  14.200  -8.304
  101   2H5*    C  10          2H5*        C  10  13.860  13.337  -7.099
  102    H4*    C  10           H4*        C  10  13.031  15.322  -9.039
  103    H3*    C  10           H3*        C  10  11.915  13.974  -6.600
  104    H2*    C  10           H2*        C  10   9.708  14.086  -7.288
  105   2HO*    C  10          2HO*        C  10  10.315  16.490  -7.922
  106    H1*    C  10           H1*        C  10   9.937  13.912 -10.024
  107   1H4     C  10          1H4         C  10   9.723   7.933  -7.179
  108   2H4     C  10          2H4         C  10   8.056   8.463  -7.180
  109    H5     C  10           H5         C  10  11.555   9.365  -7.841
  110    H6     C  10           H6         C  10  12.173  11.523  -8.773
  111   1H5*    C  11          1H5*        C  11   8.854  16.740  -4.765
  112   2H5*    C  11          2H5*        C  11   8.928  15.307  -3.719
  113    H4*    C  11           H4*        C  11   7.923  15.472  -6.579
  114    H3*    C  11           H3*        C  11   6.630  15.507  -3.974
  115    H2*    C  11           H2*        C  11   5.707  13.361  -3.870
  116   2HO*    C  11          2HO*        C  11   5.625  12.583  -6.449
  117    H1*    C  11           H1*        C  11   7.215  11.877  -5.567
  118   1H4     C  11          1H4         C  11   9.602  11.579   0.510
  119   2H4     C  11          2H4         C  11  10.364  10.266  -0.362
  120    H5     C  11           H5         C  11   8.175  13.200  -0.569
  121    H6     C  11           H6         C  11   7.250  13.988  -2.628
  122   1H5*    C  12          1H5*        C  12   3.680  13.208  -4.749
  123   2H5*    C  12          2H5*        C  12   3.110  14.238  -6.080
  124    H4*    C  12           H4*        C  12   0.991  14.114  -5.361
  125    H3*    C  12           H3*        C  12   2.217  15.382  -3.029
  126    H2*    C  12           H2*        C  12   1.254  14.190  -1.303
  127   2HO*    C  12          2HO*        C  12  -0.859  14.936  -2.111
  128    H1*    C  12           H1*        C  12   0.447  11.817  -2.449
  129   1H4     C  12          1H4         C  12   6.599  11.359   0.003
  130   2H4     C  12          2H4         C  12   5.705   9.967   0.569
  131    H5     C  12           H5         C  12   5.651  13.043  -1.432
  132    H6     C  12           H6         C  12   3.639  13.771  -2.617
  133   1H5*    G  13          1H5*        G  13  -2.522  13.062  -5.528
  134   2H5*    G  13          2H5*        G  13  -1.456  11.707  -5.108
  135    H4*    G  13           H4*        G  13  -1.324  13.609  -7.415
  136    H3*    G  13           H3*        G  13  -0.894  10.656  -6.899
  137    H2*    G  13           H2*        G  13   0.750  10.519  -8.555
  138   2HO*    G  13          2HO*        G  13   0.882  12.211 -10.206
  139    H1*    G  13           H1*        G  13   1.776  13.116  -8.406
  140    H8     G  13           H8         G  13   1.518  11.052  -5.192
  141    H1     G  13           H1         G  13   7.028  10.358  -8.310
  142   1H2     G  13          1H2         G  13   5.502  12.232 -10.820
  143   2H2     G  13          2H2         G  13   6.942  11.411 -10.259
  144   1H5*    A  14          1H5*        A  14  -1.456   8.662 -11.524
  145   2H5*    A  14          2H5*        A  14  -0.488   8.148 -10.130
  146    H4*    A  14           H4*        A  14   0.433   9.607 -12.622
  147    H3*    A  14           H3*        A  14   0.566   6.872 -11.586
  148    H2*    A  14           H2*        A  14   2.808   6.700 -11.142
  149   2HO*    A  14          2HO*        A  14   4.274   8.025 -12.638
  150    H1*    A  14           H1*        A  14   3.718   9.341 -11.214
  151    H8     A  14           H8         A  14   1.089   8.329  -8.625
  152   1H6     A  14          1H6         A  14   4.086   7.086  -5.046
  153   2H6     A  14          2H6         A  14   5.826   6.927  -4.948
  154    H2     A  14           H2         A  14   7.464   7.971  -9.008
  155   1H5*    A  15          1H5*        A  15   1.187   4.483 -12.027
  156   2H5*    A  15          2H5*        A  15   0.044   3.586 -13.051
  157    H4*    A  15           H4*        A  15  -1.499   3.323 -11.336
  158    H3*    A  15           H3*        A  15  -1.277   5.967 -10.759
  159    H2*    A  15           H2*        A  15   0.928   5.823  -9.755
  160   2HO*    A  15          2HO*        A  15   0.379   6.610  -7.866
  161    H1*    A  15           H1*        A  15   0.042   3.410  -8.178
  162    H8     A  15           H8         A  15   2.911   4.367 -10.648
  163   1H6     A  15          1H6         A  15   6.602   3.000  -7.856
  164   2H6     A  15          2H6         A  15   6.710   2.429  -6.206
  165    H2     A  15           H2         A  15   2.510   2.252  -4.615
  166   1H5*    G  16          1H5*        G  16  -5.283   3.179  -9.631
  167   2H5*    G  16          2H5*        G  16  -5.484   2.845  -7.900
  168    H4*    G  16           H4*        G  16  -2.755   2.773  -9.235
  169    H3*    G  16           H3*        G  16  -4.956   0.936  -9.716
  170    H2*    G  16           H2*        G  16  -4.583  -0.377  -7.809
  171   2HO*    G  16          2HO*        G  16  -2.984  -1.134  -9.838
  172    H1*    G  16           H1*        G  16  -1.692   0.518  -7.723
  173    H8     G  16           H8         G  16  -4.888   0.121  -5.551
  174    H1     G  16           H1         G  16   0.535  -1.669  -2.714
  175   1H2     G  16          1H2         G  16   2.050  -0.732  -5.712
  176   2H2     G  16          2H2         G  16   2.248  -1.358  -4.090
  177   1H5*    U  17          1H5*        U  17  -1.821  -0.820 -14.333
  178   2H5*    U  17          2H5*        U  17  -1.138  -1.036 -12.709
  179    H4*    U  17           H4*        U  17  -0.446   1.065 -14.782
  180    H3*    U  17           H3*        U  17   0.976  -1.211 -13.381
  181    H2*    U  17           H2*        U  17   2.969   0.044 -13.236
  182   2HO*    U  17          2HO*        U  17   3.311   1.906 -14.521
  183    H1*    U  17           H1*        U  17   1.893   2.520 -12.731
  184    H3     U  17           H3         U  17   4.430   0.382  -9.422
  185    H5     U  17           H5         U  17   0.362   0.108  -8.383
  186    H6     U  17           H6         U  17  -0.183   0.884 -10.616
  187   1H5*    A  18          1H5*        A  18   4.200  -0.277 -15.436
  188   2H5*    A  18          2H5*        A  18   4.462  -1.599 -16.591
  189    H4*    A  18           H4*        A  18   6.488  -1.383 -15.323
  190    H3*    A  18           H3*        A  18   4.741  -3.716 -14.482
  191    H2*    A  18           H2*        A  18   6.305  -4.277 -12.828
  192   2HO*    A  18          2HO*        A  18   8.326  -2.633 -13.933
  193    H1*    A  18           H1*        A  18   7.321  -1.668 -12.362
  194    H8     A  18           H8         A  18   3.585  -2.033 -11.882
  195   1H6     A  18          1H6         A  18   3.545  -3.447  -7.256
  196   2H6     A  18          2H6         A  18   4.809  -3.909  -6.140
  197    H2     A  18           H2         A  18   8.682  -3.704  -8.395
  198   1H5*    G  19          1H5*        G  19   9.026  -5.495 -14.856
  199   2H5*    G  19          2H5*        G  19   8.589  -7.216 -14.819
  200    H4*    G  19           H4*        G  19   9.789  -5.992 -12.742
  201    H3*    G  19           H3*        G  19   7.674  -8.179 -12.757
  202    H2*    G  19           H2*        G  19   7.820  -8.216 -10.368
  203   2HO*    G  19          2HO*        G  19  10.248  -6.917 -10.871
  204    H1*    G  19           H1*        G  19   7.749  -5.530 -10.044
  205    H8     G  19           H8         G  19   5.516  -6.293 -12.971
  206    H1     G  19           H1         G  19   2.706  -7.266  -7.329
  207   1H2     G  19          1H2         G  19   5.934  -7.000  -6.032
  208   2H2     G  19          2H2         G  19   4.232  -7.254  -5.713
  209   1H5*    G  20          1H5*        G  20  10.162  -8.002  -8.684
  210   2H5*    G  20          2H5*        G  20  11.064  -9.528  -8.608
  211    H4*    G  20           H4*        G  20   9.417  -9.459  -6.815
  212    H3*    G  20           H3*        G  20   9.092 -11.427  -9.065
  213    H2*    G  20           H2*        G  20   6.857 -11.734  -8.649
  214   2HO*    G  20          2HO*        G  20   7.032 -11.669  -5.868
  215    H1*    G  20           H1*        G  20   6.769  -9.798  -6.376
  216    H8     G  20           H8         G  20   5.921  -9.161 -10.061
  217    H1     G  20           H1         G  20   0.845 -10.349  -6.385
  218   1H2     G  20          1H2         G  20   3.191 -10.932  -3.879
  219   2H2     G  20          2H2         G  20   1.504 -10.874  -4.336
  220   1H5*    C  21          1H5*        C  21   8.590 -12.072  -3.055
  221   2H5*    C  21          2H5*        C  21   8.800 -13.823  -3.254
  222    H4*    C  21           H4*        C  21   6.514 -12.694  -2.337
  223    H3*    C  21           H3*        C  21   7.113 -15.250  -3.805
  224    H2*    C  21           H2*        C  21   4.994 -15.361  -4.710
  225   2HO*    C  21          2HO*        C  21   4.079 -14.624  -2.101
  226    H1*    C  21           H1*        C  21   4.075 -12.819  -3.446
  227   1H4     C  21          1H4         C  21   2.181 -12.506  -9.676
  228   2H4     C  21          2H4         C  21   0.740 -12.973  -8.801
  229    H5     C  21           H5         C  21   4.353 -12.346  -8.627
  230    H6     C  21           H6         C  21   5.623 -12.645  -6.594
  231   1H5*    C  22          1H5*        C  22   4.723 -19.000  -1.348
  232   2H5*    C  22          2H5*        C  22   4.539 -18.269  -2.956
  233    H4*    C  22           H4*        C  22   2.489 -18.431  -0.724
  234    H3*    C  22           H3*        C  22   2.774 -19.494  -3.538
  235    H2*    C  22           H2*        C  22   0.463 -19.279  -3.916
  236   2HO*    C  22          2HO*        C  22  -0.859 -18.530  -1.994
  237    H1*    C  22           H1*        C  22   0.144 -16.826  -2.766
  238   1H4     C  22          1H4         C  22   2.944 -15.758  -8.638
  239   2H4     C  22          2H4         C  22   1.240 -15.958  -8.986
  240    H5     C  22           H5         C  22   3.893 -16.101  -6.454
  241    H6     C  22           H6         C  22   3.416 -16.721  -4.128
  242    H3T    C  22           H3T        C  22   1.245 -20.683  -1.517
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1 -10.239 -14.895 -13.160
    2   2H5*    G   1          2H5*        G   1 -10.298 -13.238 -12.526
    3    H4*    G   1           H4*        G   1  -9.553 -15.286 -10.989
    4    H3*    G   1           H3*        G   1  -8.656 -12.419 -11.070
    5    H2*    G   1           H2*        G   1  -6.641 -12.865 -10.093
    6   2HO*    G   1          2HO*        G   1  -7.520 -14.832  -8.332
    7    H1*    G   1           H1*        G   1  -7.008 -15.805  -9.940
    8    H8     G   1           H8         G   1  -5.448 -13.725 -12.753
    9    H1     G   1           H1         G   1  -1.187 -16.234  -8.732
   10   1H2     G   1          1H2         G   1  -3.973 -17.217  -6.883
   11   2H2     G   1          2H2         G   1  -2.230 -17.201  -7.031
   12    H5T    G   1           H5T        G   1  -9.101 -13.830 -14.617
   13   1H5*    G   2          1H5*        G   2 -10.022 -14.302  -6.812
   14   2H5*    G   2          2H5*        G   2 -10.062 -13.008  -5.596
   15    H4*    G   2           H4*        G   2  -8.684 -15.093  -5.007
   16    H3*    G   2           H3*        G   2  -7.632 -12.246  -4.926
   17    H2*    G   2           H2*        G   2  -5.522 -13.020  -4.310
   18   2HO*    G   2          2HO*        G   2  -6.342 -15.596  -3.575
   19    H1*    G   2           H1*        G   2  -5.693 -15.613  -5.468
   20    H8     G   2           H8         G   2  -6.027 -12.858  -7.998
   21    H1     G   2           H1         G   2   0.032 -14.091  -6.414
   22   1H2     G   2          1H2         G   2  -1.354 -15.951  -3.813
   23   2H2     G   2          2H2         G   2   0.096 -15.379  -4.610
   24   1H5*    C   3          1H5*        C   3  -5.810 -12.000  -0.062
   25   2H5*    C   3          2H5*        C   3  -5.607 -10.861  -1.408
   26    H4*    C   3           H4*        C   3  -3.818 -13.161  -0.584
   27    H3*    C   3           H3*        C   3  -3.596 -10.169  -0.876
   28    H2*    C   3           H2*        C   3  -1.651 -10.301  -2.112
   29   2HO*    C   3          2HO*        C   3  -1.073 -12.126  -0.080
   30    H1*    C   3           H1*        C   3  -1.679 -13.200  -2.557
   31   1H4     C   3          1H4         C   3  -1.814  -9.993  -8.317
   32   2H4     C   3          2H4         C   3  -0.107 -10.111  -7.947
   33    H5     C   3           H5         C   3  -3.546 -10.660  -6.773
   34    H6     C   3           H6         C   3  -4.015 -11.531  -4.550
   35   1H5*    C   4          1H5*        C   4   0.880 -10.966  -0.170
   36   2H5*    C   4          2H5*        C   4   0.869 -10.194   1.428
   37    H4*    C   4           H4*        C   4   2.366  -8.806   0.386
   38    H3*    C   4           H3*        C   4  -0.429  -7.799  -0.117
   39    H2*    C   4           H2*        C   4   0.120  -6.546  -1.910
   40   2HO*    C   4          2HO*        C   4   1.326  -5.199  -0.371
   41    H1*    C   4           H1*        C   4   2.863  -7.510  -2.290
   42   1H4     C   4          1H4         C   4  -1.273  -8.158  -7.425
   43   2H4     C   4          2H4         C   4   0.314  -7.814  -8.082
   44    H5     C   4           H5         C   4  -1.704  -8.337  -5.035
   45    H6     C   4           H6         C   4  -0.704  -8.336  -2.833
   46   1H5*    G   5          1H5*        G   5   4.600  -4.635   0.778
   47   2H5*    G   5          2H5*        G   5   2.934  -4.183   0.369
   48    H4*    G   5           H4*        G   5   5.285  -4.673  -1.447
   49    H3*    G   5           H3*        G   5   3.071  -2.612  -1.140
   50    H2*    G   5           H2*        G   5   3.226  -2.123  -3.434
   51   2HO*    G   5          2HO*        G   5   5.693  -3.558  -3.550
   52    H1*    G   5           H1*        G   5   3.833  -4.699  -4.336
   53    H8     G   5           H8         G   5   0.864  -4.490  -1.976
   54    H1     G   5           H1         G   5  -0.645  -3.068  -7.997
   55   1H2     G   5          1H2         G   5   2.797  -3.061  -8.534
   56   2H2     G   5          2H2         G   5   1.196  -2.852  -9.210
   57   1H5*    A   6          1H5*        A   6   6.429   1.391  -2.643
   58   2H5*    A   6          2H5*        A   6   5.374   0.006  -2.986
   59    H4*    A   6           H4*        A   6   7.907  -1.114  -2.447
   60    H3*    A   6           H3*        A   6   8.128   1.496  -3.978
   61    H2*    A   6           H2*        A   6   9.553   0.478  -5.545
   62   2HO*    A   6          2HO*        A   6   9.954  -1.915  -4.185
   63    H1*    A   6           H1*        A   6   8.450  -2.086  -5.513
   64    H8     A   6           H8         A   6   5.444  -0.347  -6.205
   65   1H6     A   6          1H6         A   6   6.053   0.951 -10.820
   66   2H6     A   6          2H6         A   6   7.462   1.080 -11.848
   67    H2     A   6           H2         A   6  11.006  -0.121  -9.353
   68   1H5*    A   7          1H5*        A   7  13.559   2.754  -2.511
   69   2H5*    A   7          2H5*        A   7  12.175   3.686  -3.116
   70    H4*    A   7           H4*        A   7  13.593   1.349  -4.425
   71    H3*    A   7           H3*        A   7  13.042   4.255  -5.071
   72    H2*    A   7           H2*        A   7  12.699   3.745  -7.318
   73   2HO*    A   7          2HO*        A   7  13.752   1.299  -7.644
   74    H1*    A   7           H1*        A   7  12.025   0.977  -6.991
   75    H8     A   7           H8         A   7   9.336   2.703  -5.377
   76   1H6     A   7          1H6         A   7   6.515   3.746  -9.161
   77   2H6     A   7          2H6         A   7   6.829   3.867 -10.879
   78    H2     A   7           H2         A   7  11.159   2.884 -11.500
   79   1H5*    A   8          1H5*        A   8  14.103   3.178  -8.956
   80   2H5*    A   8          2H5*        A   8  15.735   3.825  -9.225
   81    H4*    A   8           H4*        A   8  14.625   5.230 -10.646
   82    H3*    A   8           H3*        A   8  14.772   6.365  -7.936
   83    H2*    A   8           H2*        A   8  12.693   7.333  -7.876
   84   2HO*    A   8          2HO*        A   8  13.947   8.517 -10.020
   85    H1*    A   8           H1*        A   8  11.864   6.712 -10.646
   86    H8     A   8           H8         A   8  11.422   5.852  -6.896
   87   1H6     A   8          1H6         A   8   6.590   5.690  -6.872
   88   2H6     A   8          2H6         A   8   5.385   5.822  -8.133
   89    H2     A   8           H2         A   8   7.615   6.421 -11.996
   90   1H5*    U   9          1H5*        U   9  15.743  11.740 -10.416
   91   2H5*    U   9          2H5*        U   9  14.648  10.990  -9.240
   92    H4*    U   9           H4*        U   9  14.279  11.060 -12.264
   93    H3*    U   9           H3*        U   9  13.426  12.828 -10.066
   94    H2*    U   9           H2*        U   9  11.209  12.259 -10.008
   95   2HO*    U   9          2HO*        U   9  11.546  12.896 -12.632
   96    H1*    U   9           H1*        U   9  11.043  10.086 -11.790
   97    H3     U   9           H3         U   9   8.154   8.839  -8.590
   98    H5     U   9           H5         U   9  11.614   9.880  -6.427
   99    H6     U   9           H6         U   9  12.651  10.468  -8.537
  100   1H5*    C  10          1H5*        C  10  13.922  17.299 -11.847
  101   2H5*    C  10          2H5*        C  10  12.745  17.304 -10.518
  102    H4*    C  10           H4*        C  10  12.236  17.172 -13.335
  103    H3*    C  10           H3*        C  10  10.587  17.215 -10.787
  104    H2*    C  10           H2*        C  10   8.676  16.467 -11.961
  105   2HO*    C  10          2HO*        C  10   9.218  16.103 -14.435
  106    H1*    C  10           H1*        C  10   9.827  14.454 -13.286
  107   1H4     C  10          1H4         C  10   9.345  13.503  -6.723
  108   2H4     C  10          2H4         C  10   7.757  13.135  -7.363
  109    H5     C  10           H5         C  10  11.181  14.246  -8.122
  110    H6     C  10           H6         C  10  11.839  14.881 -10.390
  111   1H5*    C  11          1H5*        C  11   6.543  19.404 -11.591
  112   2H5*    C  11          2H5*        C  11   6.743  19.034  -9.863
  113    H4*    C  11           H4*        C  11   6.185  17.066 -12.114
  114    H3*    C  11           H3*        C  11   4.482  18.500 -10.238
  115    H2*    C  11           H2*        C  11   3.922  16.781  -8.686
  116   2HO*    C  11          2HO*        C  11   4.479  15.067 -10.891
  117    H1*    C  11           H1*        C  11   6.089  15.233  -8.652
  118   1H4     C  11          1H4         C  11   7.396  20.443  -4.911
  119   2H4     C  11          2H4         C  11   8.815  19.431  -4.758
  120    H5     C  11           H5         C  11   5.616  19.960  -6.470
  121    H6     C  11           H6         C  11   4.833  18.533  -8.216
  122   1H5*    C  12          1H5*        C  12   2.266  15.405  -9.056
  123   2H5*    C  12          2H5*        C  12   1.850  15.100 -10.754
  124    H4*    C  12           H4*        C  12  -0.366  14.977 -10.319
  125    H3*    C  12           H3*        C  12   0.058  17.564  -9.202
  126    H2*    C  12           H2*        C  12  -0.458  17.329  -6.970
  127   2HO*    C  12          2HO*        C  12  -2.670  17.197  -7.527
  128    H1*    C  12           H1*        C  12  -0.736  14.617  -6.498
  129   1H4     C  12          1H4         C  12   5.227  16.980  -4.824
  130   2H4     C  12          2H4         C  12   4.903  15.624  -3.766
  131    H5     C  12           H5         C  12   3.719  17.682  -6.567
  132    H6     C  12           H6         C  12   1.612  17.204  -7.709
  133   1H5*    G  13          1H5*        G  13  -3.368  12.803  -8.893
  134   2H5*    G  13          2H5*        G  13  -1.816  12.529  -8.078
  135    H4*    G  13           H4*        G  13  -2.485  12.482 -10.984
  136    H3*    G  13           H3*        G  13  -0.584  11.049  -9.088
  137    H2*    G  13           H2*        G  13   0.789  10.490 -10.947
  138   2HO*    G  13          2HO*        G  13  -0.268  11.417 -13.102
  139    H1*    G  13           H1*        G  13   0.681  12.913 -12.195
  140    H8     G  13           H8         G  13   0.887  12.689  -8.333
  141    H1     G  13           H1         G  13   6.476  13.204 -11.275
  142   1H2     G  13          1H2         G  13   4.623  13.248 -14.199
  143   2H2     G  13          2H2         G  13   6.200  13.366 -13.447
  144   1H5*    A  14          1H5*        A  14  -1.285   9.344 -12.919
  145   2H5*    A  14          2H5*        A  14  -1.456   7.580 -12.861
  146    H4*    A  14           H4*        A  14   0.184   8.510 -14.593
  147    H3*    A  14           H3*        A  14   0.516   6.251 -12.733
  148    H2*    A  14           H2*        A  14   2.816   6.256 -12.519
  149   2HO*    A  14          2HO*        A  14   2.639   6.389 -15.121
  150    H1*    A  14           H1*        A  14   3.541   8.837 -13.179
  151    H8     A  14           H8         A  14   0.832   8.180 -10.524
  152   1H6     A  14          1H6         A  14   3.695   8.194  -6.629
  153   2H6     A  14          2H6         A  14   5.425   8.353  -6.422
  154    H2     A  14           H2         A  14   7.206   8.668 -10.540
  155   1H5*    A  15          1H5*        A  15   1.003   4.135 -12.447
  156   2H5*    A  15          2H5*        A  15  -0.070   2.860 -13.059
  157    H4*    A  15           H4*        A  15  -1.628   3.169 -11.314
  158    H3*    A  15           H3*        A  15  -1.205   5.882 -11.486
  159    H2*    A  15           H2*        A  15   0.948   5.894 -10.426
  160   2HO*    A  15          2HO*        A  15   0.566   6.503  -8.218
  161    H1*    A  15           H1*        A  15  -0.041   3.893  -8.384
  162    H8     A  15           H8         A  15   2.929   4.411 -10.866
  163   1H6     A  15          1H6         A  15   6.502   3.467  -7.756
  164   2H6     A  15          2H6         A  15   6.536   3.130  -6.039
  165    H2     A  15           H2         A  15   2.272   3.132  -4.624
  166   1H5*    G  16          1H5*        G  16  -5.485   2.696  -9.478
  167   2H5*    G  16          2H5*        G  16  -5.384   3.205  -7.782
  168    H4*    G  16           H4*        G  16  -2.763   2.808  -9.123
  169    H3*    G  16           H3*        G  16  -4.740   0.712  -9.446
  170    H2*    G  16           H2*        G  16  -4.476  -0.158  -7.273
  171   2HO*    G  16          2HO*        G  16  -1.932  -0.920  -8.325
  172    H1*    G  16           H1*        G  16  -1.643   0.917  -7.217
  173    H8     G  16           H8         G  16  -4.892   0.796  -5.086
  174    H1     G  16           H1         G  16   0.459  -0.675  -1.945
  175   1H2     G  16          1H2         G  16   2.039  -0.109  -5.001
  176   2H2     G  16          2H2         G  16   2.201  -0.544  -3.314
  177   1H5*    U  17          1H5*        U  17  -2.117  -0.438 -13.495
  178   2H5*    U  17          2H5*        U  17  -1.086  -1.869 -13.296
  179    H4*    U  17           H4*        U  17  -0.189   0.300 -14.538
  180    H3*    U  17           H3*        U  17   1.241  -1.566 -12.625
  181    H2*    U  17           H2*        U  17   3.189  -0.228 -12.745
  182   2HO*    U  17          2HO*        U  17   3.247   1.545 -14.340
  183    H1*    U  17           H1*        U  17   1.979   2.228 -12.673
  184    H3     U  17           H3         U  17   4.414   0.685  -8.989
  185    H5     U  17           H5         U  17   0.321   0.483  -8.057
  186    H6     U  17           H6         U  17  -0.148   0.942 -10.392
  187   1H5*    A  18          1H5*        A  18   3.852  -1.191 -15.004
  188   2H5*    A  18          2H5*        A  18   4.402  -2.475 -16.098
  189    H4*    A  18           H4*        A  18   6.381  -1.771 -15.020
  190    H3*    A  18           H3*        A  18   5.185  -4.228 -13.699
  191    H2*    A  18           H2*        A  18   6.890  -4.212 -12.078
  192   2HO*    A  18          2HO*        A  18   8.523  -3.895 -13.834
  193    H1*    A  18           H1*        A  18   7.243  -1.448 -11.886
  194    H8     A  18           H8         A  18   3.606  -2.168 -11.551
  195   1H6     A  18          1H6         A  18   3.415  -3.426  -6.893
  196   2H6     A  18          2H6         A  18   4.643  -3.771  -5.695
  197    H2     A  18           H2         A  18   8.612  -3.380  -7.750
  198   1H5*    G  19          1H5*        G  19  10.790  -5.919 -13.814
  199   2H5*    G  19          2H5*        G  19   9.495  -7.128 -13.912
  200    H4*    G  19           H4*        G  19  10.642  -5.808 -11.557
  201    H3*    G  19           H3*        G  19   8.838  -8.190 -12.121
  202    H2*    G  19           H2*        G  19   8.327  -8.274  -9.829
  203   2HO*    G  19          2HO*        G  19   9.544  -7.126  -8.256
  204    H1*    G  19           H1*        G  19   8.369  -5.519  -9.389
  205    H8     G  19           H8         G  19   6.203  -6.331 -12.342
  206    H1     G  19           H1         G  19   3.308  -7.319  -6.746
  207   1H2     G  19          1H2         G  19   6.479  -6.898  -5.382
  208   2H2     G  19          2H2         G  19   4.782  -7.214  -5.101
  209   1H5*    G  20          1H5*        G  20  11.187 -10.830  -9.537
  210   2H5*    G  20          2H5*        G  20   9.941  -9.725 -10.144
  211    H4*    G  20           H4*        G  20  10.291 -10.080  -7.164
  212    H3*    G  20           H3*        G  20   9.195 -12.070  -9.145
  213    H2*    G  20           H2*        G  20   7.148 -12.133  -8.150
  214   2HO*    G  20          2HO*        G  20   7.573 -11.705  -5.550
  215    H1*    G  20           H1*        G  20   7.602  -9.918  -6.266
  216    H8     G  20           H8         G  20   6.458  -9.128  -9.754
  217    H1     G  20           H1         G  20   1.652 -10.780  -5.899
  218   1H2     G  20          1H2         G  20   4.171 -11.663  -3.661
  219   2H2     G  20          2H2         G  20   2.456 -11.576  -3.992
  220   1H5*    C  21          1H5*        C  21   9.081 -14.404  -4.580
  221   2H5*    C  21          2H5*        C  21   9.011 -15.989  -5.372
  222    H4*    C  21           H4*        C  21   7.089 -15.138  -3.699
  223    H3*    C  21           H3*        C  21   7.033 -16.935  -6.105
  224    H2*    C  21           H2*        C  21   4.809 -16.517  -6.528
  225   2HO*    C  21          2HO*        C  21   4.059 -16.486  -3.820
  226    H1*    C  21           H1*        C  21   4.478 -14.588  -4.285
  227   1H4     C  21          1H4         C  21   1.936 -11.807  -9.622
  228   2H4     C  21          2H4         C  21   0.551 -12.488  -8.798
  229    H5     C  21           H5         C  21   4.207 -12.184  -8.891
  230    H6     C  21           H6         C  21   5.637 -13.285  -7.287
  231   1H5*    C  22          1H5*        C  22   3.253 -17.058  -2.022
  232   2H5*    C  22          2H5*        C  22   3.520 -18.549  -1.094
  233    H4*    C  22           H4*        C  22   1.599 -19.229  -2.120
  234    H3*    C  22           H3*        C  22   3.713 -19.543  -4.272
  235    H2*    C  22           H2*        C  22   2.080 -20.118  -5.806
  236   2HO*    C  22          2HO*        C  22   0.932 -21.750  -5.066
  237    H1*    C  22           H1*        C  22  -0.077 -18.726  -4.511
  238   1H4     C  22          1H4         C  22   2.213 -15.688  -9.950
  239   2H4     C  22          2H4         C  22   0.467 -15.578  -9.985
  240    H5     C  22           H5         C  22   3.428 -16.784  -8.188
  241    H6     C  22           H6         C  22   3.241 -17.971  -6.047
  242    H3T    C  22           H3T        C  22   2.612 -21.028  -2.227
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1 -11.164 -14.162 -12.477
    2   2H5*    G   1          2H5*        G   1  -9.643 -13.800 -13.318
    3    H4*    G   1           H4*        G   1  -9.989 -15.262 -10.676
    4    H3*    G   1           H3*        G   1  -9.049 -12.535 -11.520
    5    H2*    G   1           H2*        G   1  -6.982 -12.796 -10.558
    6   2HO*    G   1          2HO*        G   1  -7.796 -14.231  -8.320
    7    H1*    G   1           H1*        G   1  -7.425 -15.592  -9.657
    8    H8     G   1           H8         G   1  -5.927 -14.331 -12.953
    9    H1     G   1           H1         G   1  -1.598 -15.951  -8.564
   10   1H2     G   1          1H2         G   1  -4.358 -16.354  -6.467
   11   2H2     G   1          2H2         G   1  -2.618 -16.412  -6.643
   12    H5T    G   1           H5T        G   1  -9.727 -16.410 -12.909
   13   1H5*    G   2          1H5*        G   2 -10.116 -13.464  -6.913
   14   2H5*    G   2          2H5*        G   2 -10.184 -11.947  -5.993
   15    H4*    G   2           H4*        G   2  -8.778 -13.759  -4.925
   16    H3*    G   2           H3*        G   2  -7.663 -11.038  -5.674
   17    H2*    G   2           H2*        G   2  -5.551 -11.667  -4.883
   18   2HO*    G   2          2HO*        G   2  -5.364 -12.787  -3.096
   19    H1*    G   2           H1*        G   2  -5.673 -14.399  -5.475
   20    H8     G   2           H8         G   2  -6.458 -12.189  -8.450
   21    H1     G   2           H1         G   2  -0.207 -12.940  -7.412
   22   1H2     G   2          1H2         G   2  -1.200 -14.393  -4.402
   23   2H2     G   2          2H2         G   2   0.121 -13.928  -5.452
   24   1H5*    C   3          1H5*        C   3  -5.769 -12.099  -1.067
   25   2H5*    C   3          2H5*        C   3  -5.662 -10.343  -0.831
   26    H4*    C   3           H4*        C   3  -3.502 -12.037  -1.081
   27    H3*    C   3           H3*        C   3  -3.946  -9.079  -1.381
   28    H2*    C   3           H2*        C   3  -2.221  -8.845  -2.885
   29   2HO*    C   3          2HO*        C   3  -0.190 -10.191  -2.214
   30    H1*    C   3           H1*        C   3  -1.524 -11.751  -2.918
   31   1H4     C   3          1H4         C   3  -1.808  -9.329  -9.074
   32   2H4     C   3          2H4         C   3  -0.107  -9.556  -8.738
   33    H5     C   3           H5         C   3  -3.538  -9.682  -7.428
   34    H6     C   3           H6         C   3  -3.993 -10.251  -5.098
   35   1H5*    C   4          1H5*        C   4   0.874 -11.096  -0.958
   36   2H5*    C   4          2H5*        C   4   1.547 -11.129   0.683
   37    H4*    C   4           H4*        C   4   2.840  -9.374   0.162
   38    H3*    C   4           H3*        C   4   0.103  -8.112  -0.110
   39    H2*    C   4           H2*        C   4   0.777  -6.530  -1.579
   40   2HO*    C   4          2HO*        C   4   2.299  -5.909   0.311
   41    H1*    C   4           H1*        C   4   3.402  -7.644  -2.223
   42   1H4     C   4          1H4         C   4  -0.771  -7.022  -7.326
   43   2H4     C   4          2H4         C   4   0.852  -6.873  -7.965
   44    H5     C   4           H5         C   4  -1.230  -7.450  -4.974
   45    H6     C   4           H6         C   4  -0.248  -7.917  -2.815
   46   1H5*    G   5          1H5*        G   5   5.126  -5.418   1.621
   47   2H5*    G   5          2H5*        G   5   3.497  -4.911   1.135
   48    H4*    G   5           H4*        G   5   6.030  -5.002  -0.470
   49    H3*    G   5           H3*        G   5   3.643  -3.140  -0.155
   50    H2*    G   5           H2*        G   5   4.220  -2.199  -2.262
   51   2HO*    G   5          2HO*        G   5   6.218  -2.599  -3.250
   52    H1*    G   5           H1*        G   5   4.829  -4.590  -3.512
   53    H8     G   5           H8         G   5   1.733  -4.593  -1.226
   54    H1     G   5           H1         G   5   0.478  -2.691  -7.173
   55   1H2     G   5          1H2         G   5   3.927  -2.852  -7.633
   56   2H2     G   5          2H2         G   5   2.361  -2.494  -8.325
   57   1H5*    A   6          1H5*        A   6   6.238   1.120  -1.890
   58   2H5*    A   6          2H5*        A   6   5.474   0.229  -3.222
   59    H4*    A   6           H4*        A   6   8.108  -0.695  -2.050
   60    H3*    A   6           H3*        A   6   7.632   1.585  -3.974
   61    H2*    A   6           H2*        A   6   9.465   0.836  -5.289
   62   2HO*    A   6          2HO*        A   6  10.927   0.475  -3.572
   63    H1*    A   6           H1*        A   6   8.992  -1.856  -5.123
   64    H8     A   6           H8         A   6   5.594  -0.697  -5.653
   65   1H6     A   6          1H6         A   6   5.667   0.340 -10.367
   66   2H6     A   6          2H6         A   6   6.962   0.574 -11.520
   67    H2     A   6           H2         A   6  10.818  -0.011  -9.284
   68   1H5*    A   7          1H5*        A   7  13.255   3.294  -2.572
   69   2H5*    A   7          2H5*        A   7  11.991   4.347  -3.236
   70    H4*    A   7           H4*        A   7  13.373   1.986  -4.492
   71    H3*    A   7           H3*        A   7  12.602   4.814  -5.264
   72    H2*    A   7           H2*        A   7  12.261   4.170  -7.470
   73   2HO*    A   7          2HO*        A   7  13.921   1.884  -7.076
   74    H1*    A   7           H1*        A   7  11.792   1.385  -7.001
   75    H8     A   7           H8         A   7   9.010   2.939  -5.420
   76   1H6     A   7          1H6         A   7   6.069   3.619  -9.199
   77   2H6     A   7          2H6         A   7   6.356   3.736 -10.920
   78    H2     A   7           H2         A   7  10.758   3.159 -11.564
   79   1H5*    A   8          1H5*        A   8  13.676   3.639  -9.113
   80   2H5*    A   8          2H5*        A   8  15.265   4.364  -9.439
   81    H4*    A   8           H4*        A   8  14.058   5.647 -10.890
   82    H3*    A   8           H3*        A   8  14.267   6.907  -8.274
   83    H2*    A   8           H2*        A   8  12.104   7.559  -8.006
   84   2HO*    A   8          2HO*        A   8  12.350   8.773 -10.557
   85    H1*    A   8           H1*        A   8  11.173   7.022 -10.770
   86    H8     A   8           H8         A   8  10.960   6.083  -7.040
   87   1H6     A   8          1H6         A   8   6.131   5.505  -6.899
   88   2H6     A   8          2H6         A   8   4.896   5.562  -8.137
   89    H2     A   8           H2         A   8   6.998   6.463 -12.023
   90   1H5*    U   9          1H5*        U   9  13.959  11.441  -8.876
   91   2H5*    U   9          2H5*        U   9  13.372   9.796  -9.163
   92    H4*    U   9           H4*        U   9  13.729  11.218 -11.682
   93    H3*    U   9           H3*        U   9  12.691  12.911  -9.605
   94    H2*    U   9           H2*        U   9  10.444  12.559  -9.693
   95   2HO*    U   9          2HO*        U   9  10.631  12.511 -12.536
   96    H1*    U   9           H1*        U   9  10.037  10.522 -11.574
   97    H3     U   9           H3         U   9   7.709   8.381  -8.442
   98    H5     U   9           H5         U   9  10.909  10.035  -6.261
   99    H6     U   9           H6         U   9  11.742  10.941  -8.351
  100   1H5*    C  10          1H5*        C  10  11.454  17.267 -11.376
  101   2H5*    C  10          2H5*        C  10  10.131  16.838 -10.274
  102    H4*    C  10           H4*        C  10  10.183  16.812 -13.175
  103    H3*    C  10           H3*        C  10   8.114  16.530 -10.976
  104    H2*    C  10           H2*        C  10   6.593  15.503 -12.479
  105   2HO*    C  10          2HO*        C  10   6.579  16.349 -14.427
  106    H1*    C  10           H1*        C  10   8.314  13.820 -13.682
  107   1H4     C  10          1H4         C  10   7.141  11.613  -7.552
  108   2H4     C  10          2H4         C  10   6.078  10.701  -8.600
  109    H5     C  10           H5         C  10   8.542  13.407  -8.336
  110    H6     C  10           H6         C  10   9.238  14.699 -10.299
  111   1H5*    C  11          1H5*        C  11   5.957  16.262 -10.572
  112   2H5*    C  11          2H5*        C  11   4.645  17.179 -11.341
  113    H4*    C  11           H4*        C  11   5.420  17.165  -8.406
  114    H3*    C  11           H3*        C  11   3.593  15.616  -9.951
  115    H2*    C  11           H2*        C  11   1.619  16.767  -9.924
  116   2HO*    C  11          2HO*        C  11   2.347  17.079  -7.261
  117    H1*    C  11           H1*        C  11   2.207  19.348  -9.263
  118   1H4     C  11          1H4         C  11   2.806  18.859 -15.767
  119   2H4     C  11          2H4         C  11   4.169  19.907 -15.442
  120    H5     C  11           H5         C  11   1.548  17.768 -14.030
  121    H6     C  11           H6         C  11   1.273  17.463 -11.659
  122   1H5*    C  12          1H5*        C  12   1.181  14.684  -9.423
  123   2H5*    C  12          2H5*        C  12   0.596  15.854  -8.215
  124    H4*    C  12           H4*        C  12  -0.588  13.140  -8.053
  125    H3*    C  12           H3*        C  12  -0.518  14.488 -10.598
  126    H2*    C  12           H2*        C  12  -2.434  15.712 -10.649
  127   2HO*    C  12          2HO*        C  12  -4.328  14.534  -9.386
  128    H1*    C  12           H1*        C  12  -3.425  15.677  -8.077
  129   1H4     C  12          1H4         C  12   0.152  21.099  -9.486
  130   2H4     C  12          2H4         C  12  -1.022  21.576  -8.279
  131    H5     C  12           H5         C  12   0.388  18.834 -10.281
  132    H6     C  12           H6         C  12  -0.500  16.563 -10.127
  133   1H5*    G  13          1H5*        G  13  -3.710  13.538 -11.448
  134   2H5*    G  13          2H5*        G  13  -4.658  12.337 -12.335
  135    H4*    G  13           H4*        G  13  -2.766  12.677 -13.701
  136    H3*    G  13           H3*        G  13  -2.373  10.255 -11.924
  137    H2*    G  13           H2*        G  13  -0.259   9.919 -12.924
  138   2HO*    G  13          2HO*        G  13   0.194  10.550 -14.998
  139    H1*    G  13           H1*        G  13   0.251  12.652 -13.528
  140    H8     G  13           H8         G  13  -0.229  12.046  -9.848
  141    H1     G  13           H1         G  13   5.638  10.639 -11.889
  142   1H2     G  13          1H2         G  13   4.270  10.939 -15.079
  143   2H2     G  13          2H2         G  13   5.694  10.646 -14.106
  144   1H5*    A  14          1H5*        A  14  -1.911   6.571 -11.961
  145   2H5*    A  14          2H5*        A  14  -1.638   8.291 -11.717
  146    H4*    A  14           H4*        A  14  -0.642   7.520 -14.324
  147    H3*    A  14           H3*        A  14  -0.243   5.446 -12.372
  148    H2*    A  14           H2*        A  14   1.724   6.069 -11.400
  149   2HO*    A  14          2HO*        A  14   3.363   5.547 -12.614
  150    H1*    A  14           H1*        A  14   2.526   8.350 -12.930
  151    H8     A  14           H8         A  14  -0.119   8.867 -10.285
  152   1H6     A  14          1H6         A  14   2.709   9.715  -6.473
  153   2H6     A  14          2H6         A  14   4.438   9.620  -6.215
  154    H2     A  14           H2         A  14   6.269   8.264 -10.090
  155   1H5*    A  15          1H5*        A  15   0.790   3.155 -12.134
  156   2H5*    A  15          2H5*        A  15  -0.075   1.825 -12.932
  157    H4*    A  15           H4*        A  15  -1.751   1.763 -11.307
  158    H3*    A  15           H3*        A  15  -1.915   4.464 -11.406
  159    H2*    A  15           H2*        A  15   0.191   4.919 -10.317
  160   2HO*    A  15          2HO*        A  15  -0.547   5.095  -7.906
  161    H1*    A  15           H1*        A  15  -0.402   2.860  -8.207
  162    H8     A  15           H8         A  15   2.385   3.762 -10.786
  163   1H6     A  15          1H6         A  15   6.126   3.385  -7.755
  164   2H6     A  15          2H6         A  15   6.247   3.084  -6.036
  165    H2     A  15           H2         A  15   2.063   2.558  -4.504
  166   1H5*    G  16          1H5*        G  16  -5.627   1.174  -8.260
  167   2H5*    G  16          2H5*        G  16  -4.756   2.625  -7.725
  168    H4*    G  16           H4*        G  16  -2.813   1.536  -9.221
  169    H3*    G  16           H3*        G  16  -4.745  -0.579  -9.215
  170    H2*    G  16           H2*        G  16  -4.247  -1.326  -7.023
  171   2HO*    G  16          2HO*        G  16  -3.036  -3.068  -7.315
  172    H1*    G  16           H1*        G  16  -1.398  -0.349  -7.381
  173    H8     G  16           H8         G  16  -4.383  -0.568  -4.925
  174    H1     G  16           H1         G  16   1.367  -1.087  -2.213
  175   1H2     G  16          1H2         G  16   2.584  -0.552  -5.436
  176   2H2     G  16          2H2         G  16   2.950  -0.840  -3.750
  177   1H5*    U  17          1H5*        U  17  -0.591  -3.147 -12.374
  178   2H5*    U  17          2H5*        U  17  -0.325  -2.057 -10.997
  179    H4*    U  17           H4*        U  17  -0.138  -1.189 -13.909
  180    H3*    U  17           H3*        U  17   1.902  -2.421 -12.058
  181    H2*    U  17           H2*        U  17   3.529  -0.780 -12.590
  182   2HO*    U  17          2HO*        U  17   1.914   0.496 -14.513
  183    H1*    U  17           H1*        U  17   1.972   1.406 -12.448
  184    H3     U  17           H3         U  17   4.753   0.282  -8.853
  185    H5     U  17           H5         U  17   0.758  -0.350  -7.721
  186    H6     U  17           H6         U  17   0.140  -0.076 -10.052
  187   1H5*    A  18          1H5*        A  18   5.280  -1.221 -15.043
  188   2H5*    A  18          2H5*        A  18   5.497  -2.931 -15.470
  189    H4*    A  18           H4*        A  18   7.546  -1.804 -14.489
  190    H3*    A  18           H3*        A  18   6.281  -4.290 -13.306
  191    H2*    A  18           H2*        A  18   7.842  -4.304 -11.557
  192   2HO*    A  18          2HO*        A  18   9.442  -2.995 -13.470
  193    H1*    A  18           H1*        A  18   8.297  -1.528 -11.374
  194    H8     A  18           H8         A  18   4.663  -1.988 -11.032
  195   1H6     A  18          1H6         A  18   4.355  -3.370  -6.415
  196   2H6     A  18          2H6         A  18   5.542  -3.879  -5.239
  197    H2     A  18           H2         A  18   9.516  -3.846  -7.298
  198   1H5*    G  19          1H5*        G  19   9.897  -4.772 -13.208
  199   2H5*    G  19          2H5*        G  19  10.773  -6.204 -13.790
  200    H4*    G  19           H4*        G  19  11.272  -6.060 -11.463
  201    H3*    G  19           H3*        G  19   9.190  -8.123 -12.204
  202    H2*    G  19           H2*        G  19   8.789  -8.657  -9.955
  203   2HO*    G  19          2HO*        G  19  10.517  -8.874  -8.766
  204    H1*    G  19           H1*        G  19   9.053  -6.153  -8.843
  205    H8     G  19           H8         G  19   7.034  -6.275 -12.088
  206    H1     G  19           H1         G  19   3.599  -7.221  -6.805
  207   1H2     G  19          1H2         G  19   6.694  -7.387  -5.204
  208   2H2     G  19          2H2         G  19   4.951  -7.448  -5.056
  209   1H5*    G  20          1H5*        G  20  10.251 -12.302 -10.388
  210   2H5*    G  20          2H5*        G  20   8.508 -11.996 -10.528
  211    H4*    G  20           H4*        G  20  10.409 -11.218  -8.314
  212    H3*    G  20           H3*        G  20   7.803 -12.729  -8.589
  213    H2*    G  20           H2*        G  20   7.080 -11.924  -6.454
  214   2HO*    G  20          2HO*        G  20   9.119 -10.476  -5.566
  215    H1*    G  20           H1*        G  20   7.948  -9.380  -6.690
  216    H8     G  20           H8         G  20   6.735  -9.279  -9.963
  217    H1     G  20           H1         G  20   1.825 -10.295  -6.027
  218   1H2     G  20          1H2         G  20   4.254 -11.252  -3.723
  219   2H2     G  20          2H2         G  20   2.554 -11.028  -4.069
  220   1H5*    C  21          1H5*        C  21   8.825 -13.687  -5.527
  221   2H5*    C  21          2H5*        C  21   8.978 -15.191  -4.598
  222    H4*    C  21           H4*        C  21   6.938 -14.222  -3.861
  223    H3*    C  21           H3*        C  21   6.646 -16.490  -5.814
  224    H2*    C  21           H2*        C  21   4.512 -15.863  -6.415
  225   2HO*    C  21          2HO*        C  21   3.049 -15.256  -4.559
  226    H1*    C  21           H1*        C  21   4.465 -13.439  -4.684
  227   1H4     C  21          1H4         C  21   2.350 -11.547 -10.560
  228   2H4     C  21          2H4         C  21   0.886 -12.061  -9.750
  229    H5     C  21           H5         C  21   4.556 -11.830  -9.587
  230    H6     C  21           H6         C  21   5.816 -12.744  -7.765
  231   1H5*    C  22          1H5*        C  22   3.569 -19.957  -2.731
  232   2H5*    C  22          2H5*        C  22   3.514 -19.330  -4.391
  233    H4*    C  22           H4*        C  22   1.729 -18.618  -2.049
  234    H3*    C  22           H3*        C  22   1.402 -19.771  -4.826
  235    H2*    C  22           H2*        C  22  -0.699 -18.762  -5.043
  236   2HO*    C  22          2HO*        C  22  -0.985 -19.328  -2.543
  237    H1*    C  22           H1*        C  22  -0.087 -16.380  -3.777
  238   1H4     C  22          1H4         C  22   1.897 -15.749 -10.026
  239   2H4     C  22          2H4         C  22   0.156 -15.613 -10.126
  240    H5     C  22           H5         C  22   3.063 -16.343  -8.002
  241    H6     C  22           H6         C  22   2.803 -16.954  -5.639
  242    H3T    C  22           H3T        C  22   0.157 -20.254  -2.292
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  -8.896 -13.913 -13.510
    2   2H5*    G   1          2H5*        G   1  -9.924 -15.317 -13.162
    3    H4*    G   1           H4*        G   1  -9.550 -15.082 -10.778
    4    H3*    G   1           H3*        G   1  -8.413 -12.403 -11.587
    5    H2*    G   1           H2*        G   1  -6.579 -12.642 -10.256
    6   2HO*    G   1          2HO*        G   1  -7.172 -14.247  -8.268
    7    H1*    G   1           H1*        G   1  -6.855 -15.497  -9.713
    8    H8     G   1           H8         G   1  -5.587 -13.724 -12.888
    9    H1     G   1           H1         G   1  -0.975 -15.635  -8.930
   10   1H2     G   1          1H2         G   1  -3.596 -16.593  -6.840
   11   2H2     G   1          2H2         G   1  -1.867 -16.473  -7.078
   12    H5T    G   1           H5T        G   1 -10.416 -12.581 -12.640
   13   1H5*    G   2          1H5*        G   2 -10.478 -13.765  -6.034
   14   2H5*    G   2          2H5*        G   2 -10.108 -12.075  -5.633
   15    H4*    G   2           H4*        G   2  -8.763 -14.232  -4.608
   16    H3*    G   2           H3*        G   2  -7.926 -11.347  -5.083
   17    H2*    G   2           H2*        G   2  -5.745 -11.875  -4.520
   18   2HO*    G   2          2HO*        G   2  -6.011 -14.277  -3.271
   19    H1*    G   2           H1*        G   2  -5.867 -14.680  -5.109
   20    H8     G   2           H8         G   2  -6.305 -12.430  -8.094
   21    H1     G   2           H1         G   2  -0.194 -13.297  -6.492
   22   1H2     G   2          1H2         G   2  -1.474 -14.629  -3.541
   23   2H2     G   2          2H2         G   2  -0.058 -14.222  -4.485
   24   1H5*    C   3          1H5*        C   3  -6.104 -11.359  -0.011
   25   2H5*    C   3          2H5*        C   3  -5.654  -9.881  -0.882
   26    H4*    C   3           H4*        C   3  -4.066 -12.331  -0.329
   27    H3*    C   3           H3*        C   3  -3.601  -9.366  -0.647
   28    H2*    C   3           H2*        C   3  -1.660  -9.663  -1.847
   29   2HO*    C   3          2HO*        C   3  -0.759 -12.029  -0.784
   30    H1*    C   3           H1*        C   3  -1.883 -12.567  -2.219
   31   1H4     C   3          1H4         C   3  -1.600  -9.592  -8.099
   32   2H4     C   3          2H4         C   3   0.073  -9.925  -7.704
   33    H5     C   3           H5         C   3  -3.415  -9.935  -6.547
   34    H6     C   3           H6         C   3  -4.018 -10.665  -4.298
   35   1H5*    C   4          1H5*        C   4   0.752 -10.508   0.286
   36   2H5*    C   4          2H5*        C   4   0.822  -9.510   1.752
   37    H4*    C   4           H4*        C   4   2.432  -8.450   0.471
   38    H3*    C   4           H3*        C   4  -0.275  -7.227  -0.126
   39    H2*    C   4           H2*        C   4   0.483  -6.144  -1.972
   40   2HO*    C   4          2HO*        C   4   2.865  -5.475  -1.933
   41    H1*    C   4           H1*        C   4   3.028  -7.567  -2.236
   42   1H4     C   4          1H4         C   4  -1.180  -7.683  -7.355
   43   2H4     C   4          2H4         C   4   0.434  -7.531  -8.015
   44    H5     C   4           H5         C   4  -1.621  -7.849  -4.975
   45    H6     C   4           H6         C   4  -0.620  -7.957  -2.766
   46   1H5*    G   5          1H5*        G   5   4.356  -6.763  -0.661
   47   2H5*    G   5          2H5*        G   5   5.510  -5.762   0.237
   48    H4*    G   5           H4*        G   5   5.827  -5.003  -1.942
   49    H3*    G   5           H3*        G   5   3.686  -3.262  -0.654
   50    H2*    G   5           H2*        G   5   3.482  -2.097  -2.669
   51   2HO*    G   5          2HO*        G   5   5.955  -1.918  -2.628
   52    H1*    G   5           H1*        G   5   4.330  -4.213  -4.400
   53    H8     G   5           H8         G   5   1.265  -4.147  -2.028
   54    H1     G   5           H1         G   5  -0.068  -2.930  -8.138
   55   1H2     G   5          1H2         G   5   3.386  -3.066  -8.597
   56   2H2     G   5          2H2         G   5   1.808  -2.846  -9.322
   57   1H5*    A   6          1H5*        A   6   6.515   1.175  -2.000
   58   2H5*    A   6          2H5*        A   6   5.890   0.655  -3.580
   59    H4*    A   6           H4*        A   6   8.101  -0.751  -2.031
   60    H3*    A   6           H3*        A   6   8.142   1.380  -4.174
   61    H2*    A   6           H2*        A   6   9.875   0.251  -5.340
   62   2HO*    A   6          2HO*        A   6  10.163  -1.333  -2.973
   63    H1*    A   6           H1*        A   6   8.959  -2.296  -5.080
   64    H8     A   6           H8         A   6   5.742  -0.851  -5.729
   65   1H6     A   6          1H6         A   6   6.021   0.268 -10.403
   66   2H6     A   6          2H6         A   6   7.360   0.450 -11.515
   67    H2     A   6           H2         A   6  11.105  -0.466  -9.202
   68   1H5*    A   7          1H5*        A   7  12.024   1.330  -3.096
   69   2H5*    A   7          2H5*        A   7  12.867   2.891  -3.179
   70    H4*    A   7           H4*        A   7  13.425   1.179  -5.013
   71    H3*    A   7           H3*        A   7  12.640   4.057  -5.410
   72    H2*    A   7           H2*        A   7  12.350   3.829  -7.698
   73   2HO*    A   7          2HO*        A   7  14.153   3.183  -8.594
   74    H1*    A   7           H1*        A   7  11.986   1.003  -7.841
   75    H8     A   7           H8         A   7   9.125   2.166  -5.992
   76   1H6     A   7          1H6         A   7   6.206   3.408  -9.630
   77   2H6     A   7          2H6         A   7   6.501   3.829 -11.303
   78    H2     A   7           H2         A   7  10.917   3.485 -11.970
   79   1H5*    A   8          1H5*        A   8  15.417   6.437  -7.598
   80   2H5*    A   8          2H5*        A   8  13.860   6.266  -6.763
   81    H4*    A   8           H4*        A   8  14.386   6.640  -9.724
   82    H3*    A   8           H3*        A   8  13.323   8.238  -7.493
   83    H2*    A   8           H2*        A   8  11.138   8.144  -8.069
   84   2HO*    A   8          2HO*        A   8  12.186   9.768  -9.754
   85    H1*    A   8           H1*        A   8  11.416   6.784 -10.666
   86    H8     A   8           H8         A   8  10.711   5.754  -7.050
   87   1H6     A   8          1H6         A   8   5.920   5.141  -7.398
   88   2H6     A   8          2H6         A   8   4.782   5.382  -8.705
   89    H2     A   8           H2         A   8   7.164   6.803 -12.255
   90   1H5*    U   9          1H5*        U   9  11.079   8.667 -11.602
   91   2H5*    U   9          2H5*        U   9  12.056   8.707 -13.080
   92    H4*    U   9           H4*        U   9  10.840  10.421 -13.865
   93    H3*    U   9           H3*        U   9  12.038  11.668 -11.488
   94    H2*    U   9           H2*        U   9  10.220  12.822 -10.703
   95   2HO*    U   9          2HO*        U   9   9.806  14.389 -12.043
   96    H1*    U   9           H1*        U   9   8.098  11.770 -12.283
   97    H3     U   9           H3         U   9   6.206  11.991  -8.218
   98    H5     U   9           H5         U   9   9.563   9.513  -7.646
   99    H6     U   9           H6         U   9  10.138   9.879  -9.982
  100   1H5*    C  10          1H5*        C  10  11.512  12.911 -15.326
  101   2H5*    C  10          2H5*        C  10  12.245  14.035 -16.491
  102    H4*    C  10           H4*        C  10  10.292  15.289 -16.709
  103    H3*    C  10           H3*        C  10   9.684  14.338 -13.891
  104    H2*    C  10           H2*        C  10   7.378  14.449 -14.321
  105   2HO*    C  10          2HO*        C  10   7.964  16.648 -15.499
  106    H1*    C  10           H1*        C  10   7.449  13.770 -17.032
  107   1H4     C  10          1H4         C  10   6.705   8.357 -13.326
  108   2H4     C  10          2H4         C  10   5.127   8.716 -13.989
  109    H5     C  10           H5         C  10   8.628   9.748 -13.690
  110    H6     C  10           H6         C  10   9.427  11.862 -14.631
  111   1H5*    C  11          1H5*        C  11   6.345  14.990 -12.237
  112   2H5*    C  11          2H5*        C  11   6.130  16.412 -13.275
  113    H4*    C  11           H4*        C  11   7.224  17.174 -10.680
  114    H3*    C  11           H3*        C  11   5.340  15.061 -10.401
  115    H2*    C  11           H2*        C  11   3.269  16.065 -10.514
  116   2HO*    C  11          2HO*        C  11   4.545  17.809  -8.694
  117    H1*    C  11           H1*        C  11   3.680  18.696 -11.196
  118   1H4     C  11          1H4         C  11   1.962  14.997 -16.320
  119   2H4     C  11          2H4         C  11   1.492  16.633 -16.720
  120    H5     C  11           H5         C  11   3.140  14.444 -14.283
  121    H6     C  11           H6         C  11   4.172  15.266 -12.278
  122   1H5*    C  12          1H5*        C  12   3.369  15.013  -8.472
  123   2H5*    C  12          2H5*        C  12   3.220  16.632  -7.767
  124    H4*    C  12           H4*        C  12   2.648  14.955  -5.616
  125    H3*    C  12           H3*        C  12   2.216  13.365  -7.945
  126    H2*    C  12           H2*        C  12   0.028  13.781  -8.532
  127   2HO*    C  12          2HO*        C  12  -0.787  13.996  -5.834
  128    H1*    C  12           H1*        C  12  -0.828  15.830  -6.878
  129   1H4     C  12          1H4         C  12   0.497  17.838 -13.044
  130   2H4     C  12          2H4         C  12  -0.661  18.969 -12.380
  131    H5     C  12           H5         C  12   1.467  16.041 -11.763
  132    H6     C  12           H6         C  12   1.520  14.929  -9.583
  133   1H5*    G  13          1H5*        G  13  -1.819  11.749  -7.110
  134   2H5*    G  13          2H5*        G  13  -1.412  10.289  -8.035
  135    H4*    G  13           H4*        G  13  -2.606  12.517  -9.107
  136    H3*    G  13           H3*        G  13  -0.964  10.269 -10.261
  137    H2*    G  13           H2*        G  13  -0.708  11.356 -12.325
  138   2HO*    G  13          2HO*        G  13  -2.499  13.416 -11.514
  139    H1*    G  13           H1*        G  13  -0.130  13.795 -11.425
  140    H8     G  13           H8         G  13   1.394  11.706  -8.880
  141    H1     G  13           H1         G  13   4.390  11.063 -14.459
  142   1H2     G  13          1H2         G  13   1.713  12.832 -15.765
  143   2H2     G  13          2H2         G  13   3.265  12.070 -16.054
  144   1H5*    A  14          1H5*        A  14  -1.326   9.684 -13.538
  145   2H5*    A  14          2H5*        A  14  -1.607   7.936 -13.580
  146    H4*    A  14           H4*        A  14   0.804   8.735 -13.994
  147    H3*    A  14           H3*        A  14  -0.202   6.503 -12.355
  148    H2*    A  14           H2*        A  14   1.244   6.815 -10.633
  149   2HO*    A  14          2HO*        A  14   3.456   6.315 -11.134
  150    H1*    A  14           H1*        A  14   3.035   8.672 -12.110
  151    H8     A  14           H8         A  14   0.508   9.207  -9.309
  152   1H6     A  14          1H6         A  14   3.589   9.481  -5.575
  153   2H6     A  14          2H6         A  14   5.318   9.250  -5.448
  154    H2     A  14           H2         A  14   6.789   8.200  -9.563
  155   1H5*    A  15          1H5*        A  15   0.838   4.790 -11.590
  156   2H5*    A  15          2H5*        A  15   1.091   3.270 -12.438
  157    H4*    A  15           H4*        A  15  -1.395   2.790 -11.831
  158    H3*    A  15           H3*        A  15  -1.515   5.282 -10.836
  159    H2*    A  15           H2*        A  15   0.420   5.204  -9.434
  160   2HO*    A  15          2HO*        A  15  -1.900   4.462  -8.015
  161    H1*    A  15           H1*        A  15  -0.195   2.514  -8.310
  162    H8     A  15           H8         A  15   2.566   3.933 -10.685
  163   1H6     A  15          1H6         A  15   6.334   2.835  -7.857
  164   2H6     A  15          2H6         A  15   6.464   2.210  -6.228
  165    H2     A  15           H2         A  15   2.284   1.531  -4.748
  166   1H5*    G  16          1H5*        G  16  -4.925   0.847 -10.650
  167   2H5*    G  16          2H5*        G  16  -5.453   0.965  -8.959
  168    H4*    G  16           H4*        G  16  -2.581   1.520  -9.728
  169    H3*    G  16           H3*        G  16  -3.912  -1.054  -9.999
  170    H2*    G  16           H2*        G  16  -3.632  -1.668  -7.754
  171   2HO*    G  16          2HO*        G  16  -2.014  -2.941  -8.649
  172    H1*    G  16           H1*        G  16  -1.310   0.262  -7.517
  173    H8     G  16           H8         G  16  -4.671  -0.181  -5.644
  174    H1     G  16           H1         G  16   0.534  -1.215  -2.098
  175   1H2     G  16          1H2         G  16   2.275  -0.683  -5.071
  176   2H2     G  16          2H2         G  16   2.346  -1.015  -3.356
  177   1H5*    U  17          1H5*        U  17  -1.575  -0.010 -12.254
  178   2H5*    U  17          2H5*        U  17  -1.699  -0.920 -13.773
  179    H4*    U  17           H4*        U  17   0.052   0.364 -14.434
  180    H3*    U  17           H3*        U  17   1.312  -1.744 -12.654
  181    H2*    U  17           H2*        U  17   3.398  -0.615 -12.767
  182   2HO*    U  17          2HO*        U  17   2.549   1.320 -14.602
  183    H1*    U  17           H1*        U  17   2.501   1.920 -12.544
  184    H3     U  17           H3         U  17   4.824   0.354  -8.914
  185    H5     U  17           H5         U  17   0.745  -0.147  -8.060
  186    H6     U  17           H6         U  17   0.276   0.357 -10.386
  187   1H5*    A  18          1H5*        A  18   5.030  -2.652 -16.466
  188   2H5*    A  18          2H5*        A  18   4.750  -4.108 -15.492
  189    H4*    A  18           H4*        A  18   6.981  -2.320 -15.400
  190    H3*    A  18           H3*        A  18   6.103  -4.833 -13.958
  191    H2*    A  18           H2*        A  18   7.581  -4.439 -12.197
  192   2HO*    A  18          2HO*        A  18   9.162  -2.462 -13.220
  193    H1*    A  18           H1*        A  18   7.685  -1.620 -12.301
  194    H8     A  18           H8         A  18   4.127  -2.474 -11.933
  195   1H6     A  18          1H6         A  18   3.881  -3.374  -7.204
  196   2H6     A  18          2H6         A  18   5.093  -3.662  -5.976
  197    H2     A  18           H2         A  18   9.091  -3.364  -7.991
  198   1H5*    G  19          1H5*        G  19   9.810  -5.181 -13.555
  199   2H5*    G  19          2H5*        G  19  10.522  -6.759 -13.948
  200    H4*    G  19           H4*        G  19  10.814  -6.391 -11.576
  201    H3*    G  19           H3*        G  19   8.622  -8.357 -12.323
  202    H2*    G  19           H2*        G  19   8.260  -8.775 -10.025
  203   2HO*    G  19          2HO*        G  19  10.539  -7.244  -9.309
  204    H1*    G  19           H1*        G  19   8.587  -6.188  -9.151
  205    H8     G  19           H8         G  19   6.442  -6.485 -12.280
  206    H1     G  19           H1         G  19   3.283  -7.440  -6.824
  207   1H2     G  19          1H2         G  19   6.431  -7.346  -5.351
  208   2H2     G  19          2H2         G  19   4.701  -7.496  -5.131
  209   1H5*    G  20          1H5*        G  20  10.762 -11.638 -10.074
  210   2H5*    G  20          2H5*        G  20   9.714 -10.310 -10.606
  211    H4*    G  20           H4*        G  20  10.133 -10.652  -7.650
  212    H3*    G  20           H3*        G  20   8.736 -12.622  -9.463
  213    H2*    G  20           H2*        G  20   6.788 -12.489  -8.275
  214   2HO*    G  20          2HO*        G  20   8.573 -12.477  -6.078
  215    H1*    G  20           H1*        G  20   7.542 -10.164  -6.627
  216    H8     G  20           H8         G  20   6.294  -9.456 -10.066
  217    H1     G  20           H1         G  20   1.518 -10.538  -5.984
  218   1H2     G  20          1H2         G  20   4.028 -11.585  -3.806
  219   2H2     G  20          2H2         G  20   2.318 -11.346  -4.080
  220   1H5*    C  21          1H5*        C  21   8.333 -16.561  -5.348
  221   2H5*    C  21          2H5*        C  21   7.201 -15.880  -6.535
  222    H4*    C  21           H4*        C  21   7.510 -14.976  -3.643
  223    H3*    C  21           H3*        C  21   5.607 -16.848  -5.051
  224    H2*    C  21           H2*        C  21   3.723 -15.855  -4.048
  225   2HO*    C  21          2HO*        C  21   4.415 -16.112  -1.921
  226    H1*    C  21           H1*        C  21   4.743 -13.274  -3.660
  227   1H4     C  21          1H4         C  21   1.527 -12.347  -9.176
  228   2H4     C  21          2H4         C  21   0.218 -12.808  -8.112
  229    H5     C  21           H5         C  21   3.841 -12.547  -8.580
  230    H6     C  21           H6         C  21   5.414 -13.210  -6.844
  231   1H5*    C  22          1H5*        C  22   3.740 -20.232  -2.639
  232   2H5*    C  22          2H5*        C  22   3.812 -20.555  -4.382
  233    H4*    C  22           H4*        C  22   1.905 -18.926  -2.851
  234    H3*    C  22           H3*        C  22   2.075 -20.142  -5.626
  235    H2*    C  22           H2*        C  22   0.364 -18.776  -6.320
  236   2HO*    C  22          2HO*        C  22  -1.161 -19.424  -4.775
  237    H1*    C  22           H1*        C  22   0.803 -16.707  -4.361
  238   1H4     C  22          1H4         C  22   3.000 -14.616 -10.210
  239   2H4     C  22          2H4         C  22   1.276 -14.719 -10.491
  240    H5     C  22           H5         C  22   4.052 -15.375  -8.176
  241    H6     C  22           H6         C  22   3.692 -16.483  -6.028
  242    H3T    C  22           H3T        C  22   0.829 -20.665  -3.190
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1 -10.018 -15.852 -12.383
    2   2H5*    G   1          2H5*        G   1  -8.470 -15.787 -13.251
    3    H4*    G   1           H4*        G   1  -8.736 -17.374 -10.688
    4    H3*    G   1           H3*        G   1  -8.611 -14.383 -11.018
    5    H2*    G   1           H2*        G   1  -6.664 -14.182  -9.819
    6   2HO*    G   1          2HO*        G   1  -7.093 -16.388  -8.149
    7    H1*    G   1           H1*        G   1  -6.010 -17.034  -9.647
    8    H8     G   1           H8         G   1  -5.464 -14.549 -12.547
    9    H1     G   1           H1         G   1  -0.276 -15.704  -9.028
   10   1H2     G   1          1H2         G   1  -2.434 -17.560  -7.017
   11   2H2     G   1          2H2         G   1  -0.803 -16.994  -7.302
   12    H5T    G   1           H5T        G   1 -10.307 -17.777 -13.117
   13   1H5*    G   2          1H5*        G   2  -9.981 -13.248  -5.630
   14   2H5*    G   2          2H5*        G   2  -8.541 -12.905  -6.610
   15    H4*    G   2           H4*        G   2  -8.837 -14.832  -4.294
   16    H3*    G   2           H3*        G   2  -7.235 -12.352  -4.927
   17    H2*    G   2           H2*        G   2  -5.310 -13.218  -3.874
   18   2HO*    G   2          2HO*        G   2  -6.219 -15.545  -2.822
   19    H1*    G   2           H1*        G   2  -5.500 -15.824  -4.660
   20    H8     G   2           H8         G   2  -6.420 -13.876  -7.675
   21    H1     G   2           H1         G   2  -0.154 -13.671  -6.526
   22   1H2     G   2          1H2         G   2  -0.986 -14.962  -3.405
   23   2H2     G   2          2H2         G   2   0.271 -14.398  -4.482
   24   1H5*    C   3          1H5*        C   3  -5.522 -11.749   0.168
   25   2H5*    C   3          2H5*        C   3  -5.586 -10.359  -0.933
   26    H4*    C   3           H4*        C   3  -3.399 -12.292  -0.434
   27    H3*    C   3           H3*        C   3  -3.704  -9.417  -1.336
   28    H2*    C   3           H2*        C   3  -1.863  -9.576  -2.717
   29   2HO*    C   3          2HO*        C   3  -0.508 -11.577  -1.338
   30    H1*    C   3           H1*        C   3  -1.601 -12.488  -2.651
   31   1H4     C   3          1H4         C   3  -2.805 -10.412  -8.797
   32   2H4     C   3          2H4         C   3  -1.064 -10.325  -8.647
   33    H5     C   3           H5         C   3  -4.265 -10.918  -6.934
   34    H6     C   3           H6         C   3  -4.361 -11.414  -4.550
   35   1H5*    C   4          1H5*        C   4  -0.320  -9.844  -0.260
   36   2H5*    C   4          2H5*        C   4   0.827  -9.869   1.092
   37    H4*    C   4           H4*        C   4   1.951  -8.052   0.319
   38    H3*    C   4           H3*        C   4  -0.831  -6.976  -0.225
   39    H2*    C   4           H2*        C   4  -0.172  -5.790  -2.029
   40   2HO*    C   4          2HO*        C   4   2.454  -5.305  -1.499
   41    H1*    C   4           H1*        C   4   2.465  -7.029  -2.368
   42   1H4     C   4          1H4         C   4  -1.710  -7.455  -7.489
   43   2H4     C   4          2H4         C   4  -0.097  -7.296  -8.149
   44    H5     C   4           H5         C   4  -2.162  -7.502  -5.104
   45    H6     C   4           H6         C   4  -1.172  -7.513  -2.892
   46   1H5*    G   5          1H5*        G   5   4.399  -4.143   0.653
   47   2H5*    G   5          2H5*        G   5   2.801  -3.575   0.132
   48    H4*    G   5           H4*        G   5   5.146  -4.476  -1.538
   49    H3*    G   5           H3*        G   5   3.211  -2.132  -1.464
   50    H2*    G   5           H2*        G   5   3.529  -1.827  -3.782
   51   2HO*    G   5          2HO*        G   5   5.841  -1.978  -3.690
   52    H1*    G   5           H1*        G   5   3.718  -4.513  -4.483
   53    H8     G   5           H8         G   5   0.802  -3.837  -2.172
   54    H1     G   5           H1         G   5  -0.431  -2.241  -8.216
   55   1H2     G   5          1H2         G   5   2.984  -2.721  -8.716
   56   2H2     G   5          2H2         G   5   1.441  -2.273  -9.404
   57   1H5*    A   6          1H5*        A   6   6.171   1.420  -2.806
   58   2H5*    A   6          2H5*        A   6   5.212  -0.068  -2.931
   59    H4*    A   6           H4*        A   6   7.737  -0.925  -2.032
   60    H3*    A   6           H3*        A   6   7.976   1.386  -3.983
   61    H2*    A   6           H2*        A   6   9.583   0.196  -5.231
   62   2HO*    A   6          2HO*        A   6  10.011  -1.040  -2.769
   63    H1*    A   6           H1*        A   6   8.509  -2.341  -4.972
   64    H8     A   6           H8         A   6   5.490  -0.721  -5.959
   65   1H6     A   6          1H6         A   6   6.299   0.307 -10.601
   66   2H6     A   6          2H6         A   6   7.749   0.376 -11.577
   67    H2     A   6           H2         A   6  11.181  -0.716  -8.882
   68   1H5*    A   7          1H5*        A   7  12.122   1.998  -2.270
   69   2H5*    A   7          2H5*        A   7  12.448   3.637  -2.872
   70    H4*    A   7           H4*        A   7  13.388   1.428  -4.095
   71    H3*    A   7           H3*        A   7  12.588   4.147  -5.103
   72    H2*    A   7           H2*        A   7  12.549   3.477  -7.333
   73   2HO*    A   7          2HO*        A   7  14.004   1.136  -7.133
   74    H1*    A   7           H1*        A   7  12.128   0.691  -6.998
   75    H8     A   7           H8         A   7   9.245   2.338  -5.482
   76   1H6     A   7          1H6         A   7   6.434   2.917  -9.360
   77   2H6     A   7          2H6         A   7   6.762   2.899 -11.081
   78    H2     A   7           H2         A   7  11.141   2.073 -11.579
   79   1H5*    A   8          1H5*        A   8  14.549   2.959  -8.544
   80   2H5*    A   8          2H5*        A   8  15.884   4.119  -8.692
   81    H4*    A   8           H4*        A   8  14.499   4.528 -10.571
   82    H3*    A   8           H3*        A   8  14.549   6.481  -8.406
   83    H2*    A   8           H2*        A   8  12.330   6.996  -8.347
   84   2HO*    A   8          2HO*        A   8  11.508   8.044 -10.241
   85    H1*    A   8           H1*        A   8  11.630   5.610 -10.826
   86    H8     A   8           H8         A   8  11.381   5.342  -7.175
   87   1H6     A   8          1H6         A   8   6.554   4.857  -6.767
   88   2H6     A   8          2H6         A   8   5.278   4.842  -7.964
   89    H2     A   8           H2         A   8   7.267   5.274 -11.984
   90   1H5*    U   9          1H5*        U   9  12.938   7.636 -14.358
   91   2H5*    U   9          2H5*        U   9  14.404   8.553 -13.952
   92    H4*    U   9           H4*        U   9  13.199  10.449 -14.055
   93    H3*    U   9           H3*        U   9  12.645   9.495 -11.510
   94    H2*    U   9           H2*        U   9  10.447   8.727 -11.540
   95   2HO*    U   9          2HO*        U   9   8.819  10.251 -12.020
   96    H1*    U   9           H1*        U   9   9.431   9.309 -14.047
   97    H3     U   9           H3         U   9   9.316   5.120 -15.743
   98    H5     U   9           H5         U   9  11.814   4.769 -12.355
   99    H6     U   9           H6         U   9  11.641   7.190 -12.074
  100   1H5*    C  10          1H5*        C  10  14.187  14.568 -10.497
  101   2H5*    C  10          2H5*        C  10  13.374  13.934  -9.057
  102    H4*    C  10           H4*        C  10  12.237  15.340 -11.295
  103    H3*    C  10           H3*        C  10  11.359  14.373  -8.594
  104    H2*    C  10           H2*        C  10   9.149  14.025  -9.181
  105   2HO*    C  10          2HO*        C  10   8.948  15.272 -11.591
  106    H1*    C  10           H1*        C  10   9.337  13.337 -11.835
  107   1H4     C  10          1H4         C  10  10.110   8.114  -7.837
  108   2H4     C  10          2H4         C  10   8.382   8.386  -7.853
  109    H5     C  10           H5         C  10  11.681   9.611  -8.876
  110    H6     C  10           H6         C  10  11.942  11.596 -10.261
  111   1H5*    C  11          1H5*        C  11   8.304  14.863  -7.309
  112   2H5*    C  11          2H5*        C  11   8.471  16.139  -8.525
  113    H4*    C  11           H4*        C  11   8.421  17.417  -5.965
  114    H3*    C  11           H3*        C  11   6.903  15.008  -5.753
  115    H2*    C  11           H2*        C  11   4.791  15.538  -6.584
  116   2HO*    C  11          2HO*        C  11   5.165  18.118  -5.402
  117    H1*    C  11           H1*        C  11   5.026  17.930  -7.864
  118   1H4     C  11          1H4         C  11   5.995  12.958 -12.028
  119   2H4     C  11          2H4         C  11   5.624  14.345 -13.027
  120    H5     C  11           H5         C  11   6.177  13.102  -9.625
  121    H6     C  11           H6         C  11   6.205  14.520  -7.710
  122   1H5*    C  12          1H5*        C  12   4.244  14.819  -4.609
  123   2H5*    C  12          2H5*        C  12   3.391  16.369  -4.720
  124    H4*    C  12           H4*        C  12   2.764  14.992  -2.221
  125    H3*    C  12           H3*        C  12   3.014  13.176  -4.391
  126    H2*    C  12           H2*        C  12   1.024  13.313  -5.549
  127   2HO*    C  12          2HO*        C  12  -0.914  13.672  -3.868
  128    H1*    C  12           H1*        C  12  -0.382  15.434  -4.510
  129   1H4     C  12          1H4         C  12   2.999  17.079  -9.966
  130   2H4     C  12          2H4         C  12   1.697  18.235  -9.810
  131    H5     C  12           H5         C  12   3.459  15.380  -8.317
  132    H6     C  12           H6         C  12   2.761  14.418  -6.177
  133   1H5*    G  13          1H5*        G  13  -0.895  10.979  -4.305
  134   2H5*    G  13          2H5*        G  13  -0.015   9.643  -5.064
  135    H4*    G  13           H4*        G  13  -1.366  11.729  -6.372
  136    H3*    G  13           H3*        G  13   0.344   9.420  -7.149
  137    H2*    G  13           H2*        G  13   1.308  10.384  -9.037
  138   2HO*    G  13          2HO*        G  13  -0.162  11.207 -10.327
  139    H1*    G  13           H1*        G  13   1.587  12.965  -8.338
  140    H8     G  13           H8         G  13   2.381  11.299  -5.211
  141    H1     G  13           H1         G  13   6.857  10.092  -9.544
  142   1H2     G  13          1H2         G  13   4.624  11.467 -11.815
  143   2H2     G  13          2H2         G  13   6.216  10.796 -11.526
  144   1H5*    A  14          1H5*        A  14  -0.669  10.265 -11.790
  145   2H5*    A  14          2H5*        A  14  -0.960   8.517 -11.874
  146    H4*    A  14           H4*        A  14   1.197   9.653 -12.997
  147    H3*    A  14           H3*        A  14   0.592   6.969 -11.926
  148    H2*    A  14           H2*        A  14   2.632   6.505 -11.000
  149   2HO*    A  14          2HO*        A  14   4.451   7.471 -12.618
  150    H1*    A  14           H1*        A  14   4.033   8.965 -11.531
  151    H8     A  14           H8         A  14   1.607   8.306  -8.609
  152   1H6     A  14          1H6         A  14   4.933   7.284  -5.244
  153   2H6     A  14          2H6         A  14   6.668   7.072  -5.315
  154    H2     A  14           H2         A  14   7.876   7.643  -9.604
  155   1H5*    A  15          1H5*        A  15   1.594   4.236 -12.252
  156   2H5*    A  15          2H5*        A  15   0.550   3.369 -13.397
  157    H4*    A  15           H4*        A  15  -1.139   3.078 -11.861
  158    H3*    A  15           H3*        A  15  -1.069   5.761 -11.403
  159    H2*    A  15           H2*        A  15   0.895   5.782 -10.017
  160   2HO*    A  15          2HO*        A  15  -0.415   5.205  -7.757
  161    H1*    A  15           H1*        A  15  -0.052   3.356  -8.515
  162    H8     A  15           H8         A  15   3.112   4.063 -10.676
  163   1H6     A  15          1H6         A  15   6.370   3.048  -7.229
  164   2H6     A  15          2H6         A  15   6.233   2.759  -5.509
  165    H2     A  15           H2         A  15   1.873   2.999  -4.481
  166   1H5*    G  16          1H5*        G  16  -5.498   2.790  -8.833
  167   2H5*    G  16          2H5*        G  16  -4.437   4.037  -8.149
  168    H4*    G  16           H4*        G  16  -2.605   2.746  -9.615
  169    H3*    G  16           H3*        G  16  -4.849   1.002  -9.908
  170    H2*    G  16           H2*        G  16  -4.675  -0.006  -7.784
  171   2HO*    G  16          2HO*        G  16  -2.934  -1.179  -9.592
  172    H1*    G  16           H1*        G  16  -1.689   0.480  -7.754
  173    H8     G  16           H8         G  16  -4.973   0.637  -5.716
  174    H1     G  16           H1         G  16   0.206  -0.835  -2.303
  175   1H2     G  16          1H2         G  16   1.933  -0.358  -5.294
  176   2H2     G  16          2H2         G  16   2.011  -0.751  -3.591
  177   1H5*    U  17          1H5*        U  17  -1.571  -1.281 -14.075
  178   2H5*    U  17          2H5*        U  17  -0.942  -1.253 -12.415
  179    H4*    U  17           H4*        U  17  -0.121   0.474 -14.769
  180    H3*    U  17           H3*        U  17   1.203  -1.586 -12.980
  181    H2*    U  17           H2*        U  17   3.244  -0.375 -13.054
  182   2HO*    U  17          2HO*        U  17   3.673   1.163 -14.614
  183    H1*    U  17           H1*        U  17   2.227   2.136 -12.809
  184    H3     U  17           H3         U  17   4.527   0.330  -9.169
  185    H5     U  17           H5         U  17   0.405   0.187  -8.342
  186    H6     U  17           H6         U  17  -0.005   0.696 -10.679
  187   1H5*    A  18          1H5*        A  18   4.728  -1.018 -15.563
  188   2H5*    A  18          2H5*        A  18   4.754  -2.641 -16.280
  189    H4*    A  18           H4*        A  18   6.924  -2.115 -15.241
  190    H3*    A  18           H3*        A  18   5.196  -4.281 -13.996
  191    H2*    A  18           H2*        A  18   6.838  -4.654 -12.350
  192   2HO*    A  18          2HO*        A  18   8.997  -3.486 -12.768
  193    H1*    A  18           H1*        A  18   7.746  -2.022 -12.093
  194    H8     A  18           H8         A  18   4.002  -2.111 -11.874
  195   1H6     A  18          1H6         A  18   3.493  -3.204  -7.203
  196   2H6     A  18          2H6         A  18   4.617  -3.710  -5.963
  197    H2     A  18           H2         A  18   8.649  -4.018  -7.904
  198   1H5*    G  19          1H5*        G  19   9.071  -5.323 -13.863
  199   2H5*    G  19          2H5*        G  19   9.407  -7.018 -14.269
  200    H4*    G  19           H4*        G  19  10.202  -6.446 -11.994
  201    H3*    G  19           H3*        G  19   7.973  -8.465 -12.365
  202    H2*    G  19           H2*        G  19   7.845  -8.775 -10.016
  203   2HO*    G  19          2HO*        G  19   9.633  -7.394  -8.827
  204    H1*    G  19           H1*        G  19   8.104  -6.168  -9.261
  205    H8     G  19           H8         G  19   5.992  -6.695 -12.406
  206    H1     G  19           H1         G  19   2.687  -7.157  -6.973
  207   1H2     G  19          1H2         G  19   5.800  -6.948  -5.419
  208   2H2     G  19          2H2         G  19   4.065  -7.083  -5.236
  209   1H5*    G  20          1H5*        G  20   8.174 -12.440 -10.601
  210   2H5*    G  20          2H5*        G  20   7.748 -10.751 -10.937
  211    H4*    G  20           H4*        G  20   9.546 -11.125  -8.610
  212    H3*    G  20           H3*        G  20   6.759 -12.339  -8.710
  213    H2*    G  20           H2*        G  20   6.539 -11.671  -6.371
  214   2HO*    G  20          2HO*        G  20   9.304 -11.107  -6.654
  215    H1*    G  20           H1*        G  20   7.185  -9.162  -6.851
  216    H8     G  20           H8         G  20   5.780  -9.371 -10.086
  217    H1     G  20           H1         G  20   1.219 -10.508  -5.784
  218   1H2     G  20          1H2         G  20   3.867 -11.032  -3.575
  219   2H2     G  20          2H2         G  20   2.136 -11.016  -3.824
  220   1H5*    C  21          1H5*        C  21   8.853 -15.216  -4.513
  221   2H5*    C  21          2H5*        C  21   8.032 -15.036  -6.077
  222    H4*    C  21           H4*        C  21   7.231 -13.598  -3.512
  223    H3*    C  21           H3*        C  21   6.187 -16.127  -4.851
  224    H2*    C  21           H2*        C  21   3.996 -15.422  -4.408
  225   2HO*    C  21          2HO*        C  21   5.147 -14.836  -2.042
  226    H1*    C  21           H1*        C  21   4.676 -12.630  -4.019
  227   1H4     C  21          1H4         C  21   1.184 -12.316  -9.445
  228   2H4     C  21          2H4         C  21  -0.022 -12.882  -8.311
  229    H5     C  21           H5         C  21   3.559 -12.209  -8.909
  230    H6     C  21           H6         C  21   5.220 -12.711  -7.246
  231   1H5*    C  22          1H5*        C  22   5.851 -19.913  -3.881
  232   2H5*    C  22          2H5*        C  22   6.180 -18.363  -4.681
  233    H4*    C  22           H4*        C  22   3.797 -18.506  -2.864
  234    H3*    C  22           H3*        C  22   4.075 -19.905  -5.535
  235    H2*    C  22           H2*        C  22   2.047 -19.088  -6.232
  236   2HO*    C  22          2HO*        C  22   0.583 -18.354  -4.261
  237    H1*    C  22           H1*        C  22   1.924 -16.891  -4.332
  238   1H4     C  22          1H4         C  22   2.795 -14.295 -10.303
  239   2H4     C  22          2H4         C  22   1.120 -14.802 -10.345
  240    H5     C  22           H5         C  22   4.295 -14.851  -8.503
  241    H6     C  22           H6         C  22   4.519 -15.996  -6.354
  242    H3T    C  22           H3T        C  22   2.444 -20.423  -3.247
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  -6.042 -20.895 -12.954
    2   2H5*    G   1          2H5*        G   1  -6.972 -22.221 -12.229
    3    H4*    G   1           H4*        G   1  -6.829 -21.327 -10.085
    4    H3*    G   1           H3*        G   1  -6.680 -18.680 -11.524
    5    H2*    G   1           H2*        G   1  -4.961 -17.908 -10.284
    6   2HO*    G   1          2HO*        G   1  -5.063 -18.397  -7.886
    7    H1*    G   1           H1*        G   1  -4.496 -20.387  -8.742
    8    H8     G   1           H8         G   1  -3.067 -19.376 -12.151
    9    H1     G   1           H1         G   1   0.741 -17.961  -7.246
   10   1H2     G   1          1H2         G   1  -1.903 -19.080  -5.269
   11   2H2     G   1          2H2         G   1  -0.293 -18.401  -5.331
   12    H5T    G   1           H5T        G   1  -8.637 -20.583 -11.852
   13   1H5*    G   2          1H5*        G   2  -8.623 -18.598  -6.055
   14   2H5*    G   2          2H5*        G   2  -7.909 -17.542  -7.294
   15    H4*    G   2           H4*        G   2  -6.686 -18.574  -4.733
   16    H3*    G   2           H3*        G   2  -7.065 -15.896  -6.109
   17    H2*    G   2           H2*        G   2  -4.987 -15.163  -5.377
   18   2HO*    G   2          2HO*        G   2  -5.124 -15.272  -3.225
   19    H1*    G   2           H1*        G   2  -3.772 -17.718  -4.946
   20    H8     G   2           H8         G   2  -4.748 -16.741  -8.495
   21    H1     G   2           H1         G   2   0.928 -14.473  -6.647
   22   1H2     G   2          1H2         G   2   0.041 -15.697  -3.511
   23   2H2     G   2          2H2         G   2   1.223 -14.853  -4.486
   24   1H5*    C   3          1H5*        C   3  -6.665 -13.434  -1.110
   25   2H5*    C   3          2H5*        C   3  -6.466 -12.471  -2.585
   26    H4*    C   3           H4*        C   3  -4.410 -13.516  -0.681
   27    H3*    C   3           H3*        C   3  -4.981 -10.987  -2.209
   28    H2*    C   3           H2*        C   3  -2.770 -10.609  -2.769
   29   2HO*    C   3          2HO*        C   3  -2.212 -12.004  -0.346
   30    H1*    C   3           H1*        C   3  -1.708 -13.207  -2.574
   31   1H4     C   3          1H4         C   3  -2.962 -11.815  -8.890
   32   2H4     C   3          2H4         C   3  -1.345 -11.206  -8.616
   33    H5     C   3           H5         C   3  -4.364 -12.669  -7.119
   34    H6     C   3           H6         C   3  -4.520 -13.139  -4.734
   35   1H5*    C   4          1H5*        C   4  -0.884 -10.205   0.012
   36   2H5*    C   4          2H5*        C   4  -1.543  -8.934   1.062
   37    H4*    C   4           H4*        C   4   0.432  -8.069  -0.053
   38    H3*    C   4           H3*        C   4  -2.283  -7.034  -0.846
   39    H2*    C   4           H2*        C   4  -1.584  -6.101  -2.779
   40   2HO*    C   4          2HO*        C   4  -0.338  -4.612  -1.349
   41    H1*    C   4           H1*        C   4   1.116  -7.223  -2.859
   42   1H4     C   4          1H4         C   4  -2.946  -8.070  -8.024
   43   2H4     C   4          2H4         C   4  -1.379  -7.636  -8.671
   44    H5     C   4           H5         C   4  -3.377  -8.270  -5.641
   45    H6     C   4           H6         C   4  -2.385  -8.275  -3.429
   46   1H5*    G   5          1H5*        G   5   2.410  -6.418  -1.311
   47   2H5*    G   5          2H5*        G   5   3.420  -5.190  -0.531
   48    H4*    G   5           H4*        G   5   3.713  -4.875  -2.879
   49    H3*    G   5           H3*        G   5   1.705  -2.877  -1.747
   50    H2*    G   5           H2*        G   5   1.699  -1.867  -3.876
   51   2HO*    G   5          2HO*        G   5   4.263  -2.349  -3.786
   52    H1*    G   5           H1*        G   5   2.180  -4.261  -5.343
   53    H8     G   5           H8         G   5  -0.810  -4.075  -2.972
   54    H1     G   5           H1         G   5  -2.064  -1.750  -8.761
   55   1H2     G   5          1H2         G   5   1.335  -2.183  -9.347
   56   2H2     G   5          2H2         G   5  -0.216  -1.656  -9.962
   57   1H5*    A   6          1H5*        A   6   5.613   1.014  -2.525
   58   2H5*    A   6          2H5*        A   6   5.239   0.738  -4.239
   59    H4*    A   6           H4*        A   6   6.584  -1.206  -2.325
   60    H3*    A   6           H3*        A   6   7.539   0.621  -4.518
   61    H2*    A   6           H2*        A   6   8.899  -1.070  -5.496
   62   2HO*    A   6          2HO*        A   6   8.373  -3.071  -3.647
   63    H1*    A   6           H1*        A   6   7.152  -3.091  -5.446
   64    H8     A   6           H8         A   6   4.632  -0.574  -5.945
   65   1H6     A   6          1H6         A   6   5.349   0.723 -10.536
   66   2H6     A   6          2H6         A   6   6.672   0.479 -11.656
   67    H2     A   6           H2         A   6   9.830  -1.839  -9.456
   68   1H5*    A   7          1H5*        A   7  12.951  -1.241  -2.907
   69   2H5*    A   7          2H5*        A   7  12.701   0.465  -3.327
   70    H4*    A   7           H4*        A   7  12.852  -1.924  -5.076
   71    H3*    A   7           H3*        A   7  13.396   1.055  -5.276
   72    H2*    A   7           H2*        A   7  12.994   1.013  -7.564
   73   2HO*    A   7          2HO*        A   7  13.323  -1.731  -7.946
   74    H1*    A   7           H1*        A   7  11.428  -1.409  -7.622
   75    H8     A   7           H8         A   7   9.395   0.986  -5.843
   76   1H6     A   7          1H6         A   7   7.192   3.175  -9.544
   77   2H6     A   7          2H6         A   7   7.582   3.311 -11.247
   78    H2     A   7           H2         A   7  11.383   1.010 -11.918
   79   1H5*    A   8          1H5*        A   8  14.426   0.066  -9.377
   80   2H5*    A   8          2H5*        A   8  16.195   0.232  -9.387
   81    H4*    A   8           H4*        A   8  15.665   2.044 -10.703
   82    H3*    A   8           H3*        A   8  15.937   2.764  -7.864
   83    H2*    A   8           H2*        A   8  14.242   4.297  -7.760
   84   2HO*    A   8          2HO*        A   8  14.414   5.948  -9.656
   85    H1*    A   8           H1*        A   8  13.537   4.308 -10.634
   86    H8     A   8           H8         A   8  12.508   3.214  -7.071
   87   1H6     A   8          1H6         A   8   7.899   4.682  -7.257
   88   2H6     A   8          2H6         A   8   6.921   5.378  -8.530
   89    H2     A   8           H2         A   8   9.531   5.658 -12.179
   90   1H5*    U   9          1H5*        U   9  18.049   7.183  -9.497
   91   2H5*    U   9          2H5*        U   9  16.652   6.183  -9.048
   92    H4*    U   9           H4*        U   9  16.499   7.943 -11.491
   93    H3*    U   9           H3*        U   9  16.890   8.909  -8.753
   94    H2*    U   9           H2*        U   9  14.751   9.567  -8.243
   95   2HO*    U   9          2HO*        U   9  13.951  10.281 -10.808
   96    H1*    U   9           H1*        U   9  13.224   8.519 -10.386
   97    H3     U   9           H3         U   9  10.526   6.556  -7.419
   98    H5     U   9           H5         U   9  14.303   6.361  -5.558
   99    H6     U   9           H6         U   9  15.238   7.412  -7.543
  100   1H5*    C  10          1H5*        C  10  17.994  13.728  -9.287
  101   2H5*    C  10          2H5*        C  10  16.880  13.745  -7.905
  102    H4*    C  10           H4*        C  10  16.345  14.404 -10.657
  103    H3*    C  10           H3*        C  10  14.794  14.398  -8.040
  104    H2*    C  10           H2*        C  10  12.779  14.692  -9.269
  105   2HO*    C  10          2HO*        C  10  12.804  15.135 -11.518
  106    H1*    C  10           H1*        C  10  13.239  12.793 -11.120
  107   1H4     C  10          1H4         C  10  11.966   9.986  -5.233
  108   2H4     C  10          2H4         C  10  10.437  10.016  -6.082
  109    H5     C  10           H5         C  10  13.989  10.956  -6.125
  110    H6     C  10           H6         C  10  14.968  12.170  -8.019
  111   1H5*    C  11          1H5*        C  11  12.986  18.052  -6.296
  112   2H5*    C  11          2H5*        C  11  12.152  16.486  -6.164
  113    H4*    C  11           H4*        C  11  12.665  18.035  -8.713
  114    H3*    C  11           H3*        C  11  10.514  18.067  -6.776
  115    H2*    C  11           H2*        C  11   8.941  16.655  -7.701
  116   2HO*    C  11          2HO*        C  11  10.068  17.400 -10.208
  117    H1*    C  11           H1*        C  11  10.343  14.905  -9.207
  118   1H4     C  11          1H4         C  11  10.282  12.561  -3.093
  119   2H4     C  11          2H4         C  11  11.948  12.202  -3.487
  120    H5     C  11           H5         C  11   8.870  13.931  -4.476
  121    H6     C  11           H6         C  11   8.702  15.189  -6.525
  122   1H5*    C  12          1H5*        C  12   7.265  19.296  -6.954
  123   2H5*    C  12          2H5*        C  12   7.533  18.119  -8.248
  124    H4*    C  12           H4*        C  12   5.451  20.324  -8.302
  125    H3*    C  12           H3*        C  12   5.425  17.690  -7.107
  126    H2*    C  12           H2*        C  12   4.464  16.388  -8.705
  127   2HO*    C  12          2HO*        C  12   2.999  18.396  -9.972
  128    H1*    C  12           H1*        C  12   4.626  17.735 -11.034
  129   1H4     C  12          1H4         C  12   9.707  13.566 -10.269
  130   2H4     C  12          2H4         C  12   9.607  13.925 -11.978
  131    H5     C  12           H5         C  12   8.382  14.718  -8.592
  132    H6     C  12           H6         C  12   6.519  16.244  -8.248
  133   1H5*    G  13          1H5*        G  13   1.115  16.149  -8.322
  134   2H5*    G  13          2H5*        G  13   1.645  14.820  -7.273
  135    H4*    G  13           H4*        G  13   2.182  15.243 -10.091
  136    H3*    G  13           H3*        G  13   2.752  13.050  -8.064
  137    H2*    G  13           H2*        G  13   4.257  12.062  -9.643
  138   2HO*    G  13          2HO*        G  13   4.205  12.490 -11.784
  139    H1*    G  13           H1*        G  13   5.480  14.404 -10.421
  140    H8     G  13           H8         G  13   4.870  14.822  -6.826
  141    H1     G  13           H1         G  13   9.646  10.737  -7.939
  142   1H2     G  13          1H2         G  13   8.602  10.925 -11.257
  143   2H2     G  13          2H2         G  13   9.764  10.300 -10.108
  144   1H5*    A  14          1H5*        A  14   1.245  10.148 -11.294
  145   2H5*    A  14          2H5*        A  14   2.362  11.088 -10.285
  146    H4*    A  14           H4*        A  14   3.379  10.406 -12.996
  147    H3*    A  14           H3*        A  14   2.298   8.298 -11.249
  148    H2*    A  14           H2*        A  14   4.262   7.496 -10.392
  149   2HO*    A  14          2HO*        A  14   4.742   7.415 -13.125
  150    H1*    A  14           H1*        A  14   6.166   9.288 -11.627
  151    H8     A  14           H8         A  14   4.133  10.223  -8.520
  152   1H6     A  14          1H6         A  14   7.434   9.070  -5.177
  153   2H6     A  14          2H6         A  14   8.981   8.259  -5.262
  154    H2     A  14           H2         A  14   9.652   7.195  -9.577
  155   1H5*    A  15          1H5*        A  15   2.230   5.650 -11.539
  156   2H5*    A  15          2H5*        A  15   0.790   5.029 -12.373
  157    H4*    A  15           H4*        A  15  -0.576   5.293 -10.515
  158    H3*    A  15           H3*        A  15   0.524   7.790 -10.160
  159    H2*    A  15           H2*        A  15   2.564   7.092  -9.132
  160   2HO*    A  15          2HO*        A  15   2.351   7.613  -7.016
  161    H1*    A  15           H1*        A  15   1.128   4.977  -7.541
  162    H8     A  15           H8         A  15   4.042   4.960 -10.144
  163   1H6     A  15          1H6         A  15   7.276   2.703  -7.359
  164   2H6     A  15          2H6         A  15   7.284   2.232  -5.674
  165    H2     A  15           H2         A  15   3.326   3.464  -3.954
  166   1H5*    G  16          1H5*        G  16  -4.437   5.947  -7.589
  167   2H5*    G  16          2H5*        G  16  -3.126   6.822  -6.773
  168    H4*    G  16           H4*        G  16  -1.638   5.238  -8.364
  169    H3*    G  16           H3*        G  16  -4.252   4.101  -8.713
  170    H2*    G  16           H2*        G  16  -4.259   2.934  -6.654
  171   2HO*    G  16          2HO*        G  16  -2.428   1.082  -7.325
  172    H1*    G  16           H1*        G  16  -1.235   2.750  -6.790
  173    H8     G  16           H8         G  16  -4.214   3.505  -4.418
  174    H1     G  16           H1         G  16   0.571   0.205  -1.795
  175   1H2     G  16          1H2         G  16   2.077   0.519  -4.927
  176   2H2     G  16          2H2         G  16   2.195  -0.081  -3.288
  177   1H5*    U  17          1H5*        U  17  -2.431   2.779 -13.051
  178   2H5*    U  17          2H5*        U  17  -1.993   1.070 -13.239
  179    H4*    U  17           H4*        U  17  -0.395   3.003 -14.120
  180    H3*    U  17           H3*        U  17   0.282   0.364 -12.796
  181    H2*    U  17           H2*        U  17   2.579   0.912 -12.778
  182   2HO*    U  17          2HO*        U  17   3.197   2.938 -14.021
  183    H1*    U  17           H1*        U  17   2.373   3.592 -12.216
  184    H3     U  17           H3         U  17   4.334   0.779  -9.056
  185    H5     U  17           H5         U  17   0.456   1.761  -7.758
  186    H6     U  17           H6         U  17   0.019   2.645  -9.974
  187   1H5*    A  18          1H5*        A  18   2.764   0.487 -15.311
  188   2H5*    A  18          2H5*        A  18   2.925  -0.614 -16.695
  189    H4*    A  18           H4*        A  18   5.014  -0.784 -15.620
  190    H3*    A  18           H3*        A  18   3.124  -3.004 -14.814
  191    H2*    A  18           H2*        A  18   4.636  -3.811 -13.227
  192   2HO*    A  18          2HO*        A  18   6.812  -2.366 -14.316
  193    H1*    A  18           H1*        A  18   5.992  -1.398 -12.645
  194    H8     A  18           H8         A  18   2.248  -1.304 -12.122
  195   1H6     A  18          1H6         A  18   2.064  -2.884  -7.570
  196   2H6     A  18          2H6         A  18   3.268  -3.539  -6.482
  197    H2     A  18           H2         A  18   7.126  -3.725  -8.769
  198   1H5*    G  19          1H5*        G  19   7.779  -6.462 -15.516
  199   2H5*    G  19          2H5*        G  19   6.074  -6.850 -15.217
  200    H4*    G  19           H4*        G  19   8.118  -5.665 -13.340
  201    H3*    G  19           H3*        G  19   6.011  -7.864 -13.267
  202    H2*    G  19           H2*        G  19   6.046  -7.647 -10.892
  203   2HO*    G  19          2HO*        G  19   7.618  -6.041  -9.991
  204    H1*    G  19           H1*        G  19   5.996  -4.930 -10.853
  205    H8     G  19           H8         G  19   3.800  -5.806 -13.693
  206    H1     G  19           H1         G  19   0.940  -6.922  -8.100
  207   1H2     G  19          1H2         G  19   4.088  -6.384  -6.721
  208   2H2     G  19          2H2         G  19   2.404  -6.773  -6.452
  209   1H5*    G  20          1H5*        G  20   8.937  -7.942 -10.521
  210   2H5*    G  20          2H5*        G  20   9.397  -9.456  -9.717
  211    H4*    G  20           H4*        G  20   8.404  -7.564  -8.252
  212    H3*    G  20           H3*        G  20   7.351 -10.421  -8.262
  213    H2*    G  20           H2*        G  20   6.001  -9.769  -6.387
  214   2HO*    G  20          2HO*        G  20   7.318  -7.265  -6.232
  215    H1*    G  20           H1*        G  20   5.472  -7.212  -7.348
  216    H8     G  20           H8         G  20   4.357  -8.609 -10.278
  217    H1     G  20           H1         G  20   0.675 -10.899  -5.639
  218   1H2     G  20          1H2         G  20   3.241  -9.992  -3.498
  219   2H2     G  20          2H2         G  20   1.645 -10.695  -3.691
  220   1H5*    C  21          1H5*        C  21   8.584 -10.137  -4.937
  221   2H5*    C  21          2H5*        C  21   9.291 -11.397  -3.907
  222    H4*    C  21           H4*        C  21   6.890 -11.154  -3.455
  223    H3*    C  21           H3*        C  21   7.988 -13.696  -4.629
  224    H2*    C  21           H2*        C  21   5.923 -14.325  -5.452
  225   2HO*    C  21          2HO*        C  21   5.614 -14.706  -3.017
  226    H1*    C  21           H1*        C  21   4.557 -11.892  -4.358
  227   1H4     C  21          1H4         C  21   2.058 -12.633 -10.324
  228   2H4     C  21          2H4         C  21   1.035 -13.658  -9.343
  229    H5     C  21           H5         C  21   4.060 -11.579  -9.472
  230    H6     C  21           H6         C  21   5.521 -11.315  -7.583
  231   1H5*    C  22          1H5*        C  22   3.545 -13.470  -1.380
  232   2H5*    C  22          2H5*        C  22   3.888 -14.037   0.268
  233    H4*    C  22           H4*        C  22   2.887 -15.969  -0.346
  234    H3*    C  22           H3*        C  22   5.470 -16.095  -1.927
  235    H2*    C  22           H2*        C  22   4.694 -17.914  -3.109
  236   2HO*    C  22          2HO*        C  22   3.079 -19.336  -2.190
  237    H1*    C  22           H1*        C  22   1.879 -17.400  -2.675
  238   1H4     C  22          1H4         C  22   3.888 -16.309  -8.903
  239   2H4     C  22          2H4         C  22   2.312 -17.064  -8.985
  240    H5     C  22           H5         C  22   4.979 -15.756  -6.828
  241    H6     C  22           H6         C  22   4.831 -15.886  -4.380
  242    H3T    C  22           H3T        C  22   4.689 -16.715   0.538
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1 -10.521 -16.506 -12.744
    2   2H5*    G   1          2H5*        G   1 -11.391 -15.030 -12.279
    3    H4*    G   1           H4*        G   1 -10.287 -15.843 -10.303
    4    H3*    G   1           H3*        G   1  -9.118 -13.402 -11.615
    5    H2*    G   1           H2*        G   1  -7.107 -13.614 -10.562
    6   2HO*    G   1          2HO*        G   1  -8.231 -12.919  -8.629
    7    H1*    G   1           H1*        G   1  -7.682 -16.198  -9.245
    8    H8     G   1           H8         G   1  -6.237 -15.528 -12.739
    9    H1     G   1           H1         G   1  -1.829 -16.697  -8.284
   10   1H2     G   1          1H2         G   1  -4.520 -16.718  -6.071
   11   2H2     G   1          2H2         G   1  -2.791 -16.864  -6.294
   12    H5T    G   1           H5T        G   1 -10.329 -14.590 -14.154
   13   1H5*    G   2          1H5*        G   2 -10.469 -14.024  -5.712
   14   2H5*    G   2          2H5*        G   2  -9.996 -12.327  -5.488
   15    H4*    G   2           H4*        G   2  -8.517 -14.564  -4.709
   16    H3*    G   2           H3*        G   2  -7.932 -11.615  -5.067
   17    H2*    G   2           H2*        G   2  -5.668 -11.997  -5.179
   18   2HO*    G   2          2HO*        G   2  -5.079 -12.649  -3.246
   19    H1*    G   2           H1*        G   2  -5.819 -14.908  -5.485
   20    H8     G   2           H8         G   2  -6.451 -12.878  -8.575
   21    H1     G   2           H1         G   2  -0.224 -13.574  -7.339
   22   1H2     G   2          1H2         G   2  -1.296 -14.795  -4.255
   23   2H2     G   2          2H2         G   2   0.051 -14.402  -5.299
   24   1H5*    C   3          1H5*        C   3  -5.638 -12.197  -0.241
   25   2H5*    C   3          2H5*        C   3  -5.245 -10.516  -0.653
   26    H4*    C   3           H4*        C   3  -3.477 -12.765  -0.496
   27    H3*    C   3           H3*        C   3  -3.240  -9.815  -1.168
   28    H2*    C   3           H2*        C   3  -1.186 -10.159  -2.199
   29   2HO*    C   3          2HO*        C   3  -0.655 -12.654  -1.043
   30    H1*    C   3           H1*        C   3  -1.487 -12.930  -2.836
   31   1H4     C   3          1H4         C   3  -2.374  -9.185  -8.204
   32   2H4     C   3          2H4         C   3  -0.652  -9.486  -8.154
   33    H5     C   3           H5         C   3  -3.877  -9.837  -6.434
   34    H6     C   3           H6         C   3  -4.059 -10.925  -4.252
   35   1H5*    C   4          1H5*        C   4   1.420 -10.915  -0.247
   36   2H5*    C   4          2H5*        C   4   1.332  -9.905   1.210
   37    H4*    C   4           H4*        C   4   3.026  -8.881  -0.073
   38    H3*    C   4           H3*        C   4   0.335  -7.553  -0.282
   39    H2*    C   4           H2*        C   4   0.843  -6.408  -2.163
   40   2HO*    C   4          2HO*        C   4   3.257  -5.710  -2.274
   41    H1*    C   4           H1*        C   4   3.421  -7.687  -2.749
   42   1H4     C   4          1H4         C   4  -1.106  -7.484  -7.559
   43   2H4     C   4          2H4         C   4   0.469  -7.303  -8.309
   44    H5     C   4           H5         C   4  -1.390  -7.780  -5.137
   45    H6     C   4           H6         C   4  -0.246  -8.086  -3.041
   46   1H5*    G   5          1H5*        G   5   4.010  -6.468  -0.444
   47   2H5*    G   5          2H5*        G   5   5.319  -5.759   0.522
   48    H4*    G   5           H4*        G   5   6.112  -4.947  -1.444
   49    H3*    G   5           H3*        G   5   3.705  -3.165  -0.941
   50    H2*    G   5           H2*        G   5   4.025  -2.168  -3.054
   51   2HO*    G   5          2HO*        G   5   5.963  -1.944  -3.937
   52    H1*    G   5           H1*        G   5   4.796  -4.426  -4.454
   53    H8     G   5           H8         G   5   1.772  -4.418  -2.030
   54    H1     G   5           H1         G   5   0.247  -2.995  -8.039
   55   1H2     G   5          1H2         G   5   3.674  -3.136  -8.632
   56   2H2     G   5          2H2         G   5   2.072  -2.847  -9.275
   57   1H5*    A   6          1H5*        A   6   6.838   1.115  -1.626
   58   2H5*    A   6          2H5*        A   6   6.155   1.080  -3.264
   59    H4*    A   6           H4*        A   6   8.459  -0.569  -2.166
   60    H3*    A   6           H3*        A   6   8.105   1.556  -4.305
   61    H2*    A   6           H2*        A   6   9.832   0.526  -5.578
   62   2HO*    A   6          2HO*        A   6  10.922  -1.394  -4.542
   63    H1*    A   6           H1*        A   6   9.030  -2.055  -5.195
   64    H8     A   6           H8         A   6   5.750  -0.778  -5.759
   65   1H6     A   6          1H6         A   6   5.867   0.457 -10.433
   66   2H6     A   6          2H6         A   6   7.174   0.693 -11.573
   67    H2     A   6           H2         A   6  11.001  -0.065  -9.344
   68   1H5*    A   7          1H5*        A   7  13.236   2.440  -2.992
   69   2H5*    A   7          2H5*        A   7  11.544   2.752  -3.426
   70    H4*    A   7           H4*        A   7  13.487   1.154  -5.145
   71    H3*    A   7           H3*        A   7  12.836   4.093  -4.998
   72    H2*    A   7           H2*        A   7  12.345   4.236  -7.252
   73   2HO*    A   7          2HO*        A   7  14.387   2.263  -7.535
   74    H1*    A   7           H1*        A   7  12.119   1.383  -7.786
   75    H8     A   7           H8         A   7   9.200   2.554  -5.916
   76   1H6     A   7          1H6         A   7   6.315   3.782  -9.591
   77   2H6     A   7          2H6         A   7   6.622   4.142 -11.276
   78    H2     A   7           H2         A   7  11.026   3.645 -11.938
   79   1H5*    A   8          1H5*        A   8  15.437   6.954  -7.265
   80   2H5*    A   8          2H5*        A   8  13.825   6.761  -6.551
   81    H4*    A   8           H4*        A   8  14.589   6.720  -9.486
   82    H3*    A   8           H3*        A   8  13.369   8.634  -7.628
   83    H2*    A   8           H2*        A   8  11.213   8.502  -8.347
   84   2HO*    A   8          2HO*        A   8  10.747   9.010 -10.469
   85    H1*    A   8           H1*        A   8  11.462   6.581 -10.493
   86    H8     A   8           H8         A   8  11.088   5.990  -6.744
   87   1H6     A   8          1H6         A   8   6.283   5.272  -6.679
   88   2H6     A   8          2H6         A   8   5.044   5.445  -7.903
   89    H2     A   8           H2         A   8   7.122   6.796 -11.667
   90   1H5*    U   9          1H5*        U   9  13.573  11.673 -11.416
   91   2H5*    U   9          2H5*        U   9  12.929  10.779 -10.038
   92    H4*    U   9           H4*        U   9  11.277  11.409 -12.509
   93    H3*    U   9           H3*        U   9  12.195  13.240 -10.427
   94    H2*    U   9           H2*        U   9  10.275  13.442  -9.198
   95   2HO*    U   9          2HO*        U   9   9.172  13.790 -11.775
   96    H1*    U   9           H1*        U   9   8.485  11.561 -10.449
   97    H3     U   9           H3         U   9   7.584  11.406  -5.983
   98    H5     U   9           H5         U   9  11.623  10.236  -6.354
   99    H6     U   9           H6         U   9  11.417  10.652  -8.732
  100   1H5*    C  10          1H5*        C  10  10.273  17.072 -11.622
  101   2H5*    C  10          2H5*        C  10  10.147  15.294 -11.577
  102    H4*    C  10           H4*        C  10   9.641  17.072 -13.995
  103    H3*    C  10           H3*        C  10   7.908  15.628 -11.985
  104    H2*    C  10           H2*        C  10   6.472  14.864 -13.645
  105   2HO*    C  10          2HO*        C  10   5.893  16.133 -15.251
  106    H1*    C  10           H1*        C  10   8.293  14.597 -15.742
  107   1H4     C  10          1H4         C  10   7.547   9.081 -12.149
  108   2H4     C  10          2H4         C  10   6.042   9.194 -13.032
  109    H5     C  10           H5         C  10   9.242  10.787 -12.235
  110    H6     C  10           H6         C  10   9.861  12.963 -13.072
  111   1H5*    C  11          1H5*        C  11   7.332  16.013  -9.771
  112   2H5*    C  11          2H5*        C  11   6.409  16.870 -11.018
  113    H4*    C  11           H4*        C  11   6.777  18.047  -8.261
  114    H3*    C  11           H3*        C  11   5.364  15.609  -8.828
  115    H2*    C  11           H2*        C  11   3.188  16.296  -9.212
  116   2HO*    C  11          2HO*        C  11   3.570  18.499  -7.452
  117    H1*    C  11           H1*        C  11   3.315  18.964  -9.729
  118   1H4     C  11          1H4         C  11   3.487  15.497 -15.272
  119   2H4     C  11          2H4         C  11   3.124  17.140 -15.753
  120    H5     C  11           H5         C  11   4.021  14.897 -12.996
  121    H6     C  11           H6         C  11   4.409  15.668 -10.762
  122   1H5*    C  12          1H5*        C  12   2.767  15.393  -7.264
  123   2H5*    C  12          2H5*        C  12   2.518  16.825  -6.247
  124    H4*    C  12           H4*        C  12   1.527  14.920  -4.589
  125    H3*    C  12           H3*        C  12   1.792  13.528  -7.082
  126    H2*    C  12           H2*        C  12  -0.270  13.768  -8.081
  127   2HO*    C  12          2HO*        C  12  -1.022  13.051  -5.506
  128    H1*    C  12           H1*        C  12  -1.604  15.688  -6.634
  129   1H4     C  12          1H4         C  12   1.084  18.175 -12.149
  130   2H4     C  12          2H4         C  12  -0.168  19.294 -11.656
  131    H5     C  12           H5         C  12   1.733  16.262 -10.842
  132    H6     C  12           H6         C  12   1.304  14.985  -8.799
  133   1H5*    G  13          1H5*        G  13  -2.096  11.334  -7.189
  134   2H5*    G  13          2H5*        G  13  -1.300  10.131  -8.223
  135    H4*    G  13           H4*        G  13  -2.653  12.416  -9.094
  136    H3*    G  13           H3*        G  13  -0.823  10.382 -10.332
  137    H2*    G  13           H2*        G  13  -0.240  11.740 -12.141
  138   2HO*    G  13          2HO*        G  13  -1.955  13.861 -11.626
  139    H1*    G  13           H1*        G  13   0.080  14.079 -10.908
  140    H8     G  13           H8         G  13   1.332  11.902  -8.353
  141    H1     G  13           H1         G  13   4.960  11.433 -13.569
  142   1H2     G  13          1H2         G  13   2.361  13.145 -15.131
  143   2H2     G  13          2H2         G  13   3.947  12.418 -15.275
  144   1H5*    A  14          1H5*        A  14  -0.931  10.092 -13.314
  145   2H5*    A  14          2H5*        A  14  -1.232   8.394 -13.710
  146    H4*    A  14           H4*        A  14   1.189   9.006 -13.833
  147    H3*    A  14           H3*        A  14   0.015   6.806 -12.262
  148    H2*    A  14           H2*        A  14   1.372   7.061 -10.457
  149   2HO*    A  14          2HO*        A  14   3.088   6.287 -12.530
  150    H1*    A  14           H1*        A  14   3.306   8.870 -11.813
  151    H8     A  14           H8         A  14   0.622   9.394  -9.132
  152   1H6     A  14          1H6         A  14   3.455   9.300  -5.212
  153   2H6     A  14          2H6         A  14   5.165   9.006  -4.985
  154    H2     A  14           H2         A  14   6.905   8.262  -9.066
  155   1H5*    A  15          1H5*        A  15   0.948   5.115 -11.369
  156   2H5*    A  15          2H5*        A  15   1.307   3.604 -12.181
  157    H4*    A  15           H4*        A  15  -1.240   3.093 -11.704
  158    H3*    A  15           H3*        A  15  -1.355   5.567 -10.656
  159    H2*    A  15           H2*        A  15   0.491   5.466  -9.166
  160   2HO*    A  15          2HO*        A  15  -0.469   5.611  -7.276
  161    H1*    A  15           H1*        A  15  -0.055   2.724  -8.159
  162    H8     A  15           H8         A  15   2.670   4.135 -10.561
  163   1H6     A  15          1H6         A  15   6.456   3.258  -7.697
  164   2H6     A  15          2H6         A  15   6.606   2.730  -6.037
  165    H2     A  15           H2         A  15   2.441   2.055  -4.502
  166   1H5*    G  16          1H5*        G  16  -5.458   1.761  -8.722
  167   2H5*    G  16          2H5*        G  16  -4.497   3.136  -8.142
  168    H4*    G  16           H4*        G  16  -2.531   1.914  -9.410
  169    H3*    G  16           H3*        G  16  -4.632  -0.003  -9.792
  170    H2*    G  16           H2*        G  16  -4.428  -1.011  -7.668
  171   2HO*    G  16          2HO*        G  16  -2.517  -1.998  -9.419
  172    H1*    G  16           H1*        G  16  -1.511  -0.208  -7.557
  173    H8     G  16           H8         G  16  -4.830  -0.419  -5.587
  174    H1     G  16           H1         G  16   0.414  -1.423  -2.099
  175   1H2     G  16          1H2         G  16   2.131  -0.745  -5.055
  176   2H2     G  16          2H2         G  16   2.221  -1.143  -3.354
  177   1H5*    U  17          1H5*        U  17  -0.697  -2.272 -13.306
  178   2H5*    U  17          2H5*        U  17  -0.257  -1.586 -11.729
  179    H4*    U  17           H4*        U  17   0.177  -0.274 -14.442
  180    H3*    U  17           H3*        U  17   1.930  -1.870 -12.577
  181    H2*    U  17           H2*        U  17   3.719  -0.315 -12.769
  182   2HO*    U  17          2HO*        U  17   3.910   0.228 -14.850
  183    H1*    U  17           H1*        U  17   2.333   1.955 -12.569
  184    H3     U  17           H3         U  17   4.698   0.334  -8.843
  185    H5     U  17           H5         U  17   0.571  -0.030  -8.124
  186    H6     U  17           H6         U  17   0.194   0.444 -10.474
  187   1H5*    A  18          1H5*        A  18   4.221  -1.435 -15.372
  188   2H5*    A  18          2H5*        A  18   4.856  -2.687 -16.459
  189    H4*    A  18           H4*        A  18   6.766  -1.644 -15.480
  190    H3*    A  18           H3*        A  18   6.028  -4.351 -14.386
  191    H2*    A  18           H2*        A  18   7.552  -4.221 -12.631
  192   2HO*    A  18          2HO*        A  18   9.343  -2.506 -12.946
  193    H1*    A  18           H1*        A  18   7.749  -1.413 -12.352
  194    H8     A  18           H8         A  18   4.204  -2.233 -11.873
  195   1H6     A  18          1H6         A  18   4.218  -3.597  -7.251
  196   2H6     A  18          2H6         A  18   5.494  -4.017  -6.129
  197    H2     A  18           H2         A  18   9.357  -3.702  -8.375
  198   1H5*    G  19          1H5*        G  19  10.386  -7.256 -14.574
  199   2H5*    G  19          2H5*        G  19   8.644  -7.439 -14.288
  200    H4*    G  19           H4*        G  19  10.756  -6.346 -12.409
  201    H3*    G  19           H3*        G  19   8.818  -8.668 -12.473
  202    H2*    G  19           H2*        G  19   8.402  -8.464 -10.176
  203   2HO*    G  19          2HO*        G  19  10.359  -6.624  -9.536
  204    H1*    G  19           H1*        G  19   8.647  -5.714  -9.926
  205    H8     G  19           H8         G  19   6.333  -6.208 -12.754
  206    H1     G  19           H1         G  19   3.536  -7.237  -7.129
  207   1H2     G  19          1H2         G  19   6.775  -7.331  -5.873
  208   2H2     G  19          2H2         G  19   5.061  -7.458  -5.544
  209   1H5*    G  20          1H5*        G  20  10.601  -9.259  -9.343
  210   2H5*    G  20          2H5*        G  20  11.497 -10.770  -9.092
  211    H4*    G  20           H4*        G  20   9.983 -10.801  -7.305
  212    H3*    G  20           H3*        G  20   8.961 -12.333  -9.690
  213    H2*    G  20           H2*        G  20   6.799 -12.313  -8.932
  214   2HO*    G  20          2HO*        G  20   7.549 -12.506  -6.216
  215    H1*    G  20           H1*        G  20   7.314 -10.541  -6.609
  216    H8     G  20           H8         G  20   6.456  -9.198 -10.051
  217    H1     G  20           H1         G  20   1.346 -10.411  -6.435
  218   1H2     G  20          1H2         G  20   3.632 -11.839  -4.231
  219   2H2     G  20          2H2         G  20   1.960 -11.464  -4.585
  220   1H5*    C  21          1H5*        C  21   8.824 -14.389  -4.018
  221   2H5*    C  21          2H5*        C  21   8.525 -16.003  -4.692
  222    H4*    C  21           H4*        C  21   6.659 -14.368  -3.415
  223    H3*    C  21           H3*        C  21   6.570 -16.897  -5.040
  224    H2*    C  21           H2*        C  21   4.514 -16.382  -5.926
  225   2HO*    C  21          2HO*        C  21   2.973 -15.546  -4.033
  226    H1*    C  21           H1*        C  21   4.280 -13.868  -4.308
  227   1H4     C  21          1H4         C  21   1.880 -12.422 -10.198
  228   2H4     C  21          2H4         C  21   0.469 -12.865  -9.262
  229    H5     C  21           H5         C  21   4.136 -12.657  -9.350
  230    H6     C  21           H6         C  21   5.517 -13.418  -7.514
  231   1H5*    C  22          1H5*        C  22   3.758 -18.266  -1.215
  232   2H5*    C  22          2H5*        C  22   3.999 -18.021  -2.957
  233    H4*    C  22           H4*        C  22   1.419 -17.914  -1.372
  234    H3*    C  22           H3*        C  22   2.484 -19.417  -3.781
  235    H2*    C  22           H2*        C  22   0.305 -19.606  -4.614
  236   2HO*    C  22          2HO*        C  22  -0.538 -20.218  -2.451
  237    H1*    C  22           H1*        C  22  -0.580 -17.091  -3.792
  238   1H4     C  22          1H4         C  22   2.312 -16.747  -9.748
  239   2H4     C  22          2H4         C  22   0.594 -16.556 -10.015
  240    H5     C  22           H5         C  22   3.275 -17.145  -7.578
  241    H6     C  22           H6         C  22   2.794 -17.498  -5.199
  242    H3T    C  22           H3T        C  22   2.093 -20.039  -1.287
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  -8.931 -14.799 -13.181
    2   2H5*    G   1          2H5*        G   1  -9.001 -16.524 -13.591
    3    H4*    G   1           H4*        G   1  -8.765 -17.017 -11.111
    4    H3*    G   1           H3*        G   1  -8.639 -14.016 -11.053
    5    H2*    G   1           H2*        G   1  -6.529 -13.985 -10.158
    6   2HO*    G   1          2HO*        G   1  -6.238 -15.684  -8.330
    7    H1*    G   1           H1*        G   1  -6.208 -16.943 -10.105
    8    H8     G   1           H8         G   1  -5.141 -14.494 -12.836
    9    H1     G   1           H1         G   1  -0.469 -16.051  -8.789
   10   1H2     G   1          1H2         G   1  -2.999 -17.658  -7.004
   11   2H2     G   1          2H2         G   1  -1.305 -17.239  -7.107
   12    H5T    G   1           H5T        G   1 -10.955 -16.645 -12.824
   13   1H5*    G   2          1H5*        G   2  -9.731 -15.529  -6.121
   14   2H5*    G   2          2H5*        G   2  -9.810 -13.834  -5.601
   15    H4*    G   2           H4*        G   2  -8.190 -15.509  -4.369
   16    H3*    G   2           H3*        G   2  -7.630 -12.659  -5.253
   17    H2*    G   2           H2*        G   2  -5.428 -12.841  -4.513
   18   2HO*    G   2          2HO*        G   2  -6.576 -14.026  -2.479
   19    H1*    G   2           H1*        G   2  -5.127 -15.641  -4.801
   20    H8     G   2           H8         G   2  -5.964 -13.853  -8.019
   21    H1     G   2           H1         G   2   0.239 -13.665  -6.526
   22   1H2     G   2          1H2         G   2  -0.790 -14.869  -3.424
   23   2H2     G   2          2H2         G   2   0.535 -14.335  -4.434
   24   1H5*    C   3          1H5*        C   3  -5.470 -13.123  -0.864
   25   2H5*    C   3          2H5*        C   3  -5.703 -11.391  -0.552
   26    H4*    C   3           H4*        C   3  -3.266 -12.524  -0.901
   27    H3*    C   3           H3*        C   3  -4.346  -9.758  -1.378
   28    H2*    C   3           H2*        C   3  -2.781  -9.307  -3.012
   29   2HO*    C   3          2HO*        C   3  -1.365  -9.339  -0.913
   30    H1*    C   3           H1*        C   3  -1.465 -11.993  -2.775
   31   1H4     C   3          1H4         C   3  -2.239 -10.464  -9.162
   32   2H4     C   3          2H4         C   3  -0.525 -10.309  -8.853
   33    H5     C   3           H5         C   3  -3.855 -10.928  -7.435
   34    H6     C   3           H6         C   3  -4.183 -11.247  -5.041
   35   1H5*    C   4          1H5*        C   4   0.960 -10.830  -0.853
   36   2H5*    C   4          2H5*        C   4   1.506 -10.432   0.788
   37    H4*    C   4           H4*        C   4   2.495  -8.593  -0.049
   38    H3*    C   4           H3*        C   4  -0.417  -7.917  -0.452
   39    H2*    C   4           H2*        C   4  -0.011  -6.445  -2.140
   40   2HO*    C   4          2HO*        C   4   2.281  -5.357  -1.963
   41    H1*    C   4           H1*        C   4   2.756  -7.175  -2.700
   42   1H4     C   4          1H4         C   4  -1.530  -7.989  -7.685
   43   2H4     C   4          2H4         C   4   0.026  -7.628  -8.402
   44    H5     C   4           H5         C   4  -1.871  -8.162  -5.293
   45    H6     C   4           H6         C   4  -0.798  -8.165  -3.124
   46   1H5*    G   5          1H5*        G   5   5.187  -6.822  -0.957
   47   2H5*    G   5          2H5*        G   5   4.768  -5.422   0.048
   48    H4*    G   5           H4*        G   5   5.265  -5.271  -2.625
   49    H3*    G   5           H3*        G   5   3.385  -3.586  -0.912
   50    H2*    G   5           H2*        G   5   2.870  -2.381  -2.851
   51   2HO*    G   5          2HO*        G   5   4.623  -1.643  -3.792
   52    H1*    G   5           H1*        G   5   3.524  -4.525  -4.678
   53    H8     G   5           H8         G   5   0.670  -4.385  -2.074
   54    H1     G   5           H1         G   5  -1.098  -2.973  -8.032
   55   1H2     G   5          1H2         G   5   2.303  -3.181  -8.761
   56   2H2     G   5          2H2         G   5   0.682  -2.888  -9.350
   57   1H5*    A   6          1H5*        A   6   6.211   0.977  -1.766
   58   2H5*    A   6          2H5*        A   6   5.396   0.543  -3.282
   59    H4*    A   6           H4*        A   6   7.525  -1.170  -1.941
   60    H3*    A   6           H3*        A   6   7.717   1.022  -4.038
   61    H2*    A   6           H2*        A   6   9.340  -0.270  -5.206
   62   2HO*    A   6          2HO*        A   6  10.735  -1.217  -3.913
   63    H1*    A   6           H1*        A   6   8.121  -2.701  -4.946
   64    H8     A   6           H8         A   6   5.145  -0.817  -5.693
   65   1H6     A   6          1H6         A   6   5.706   0.169 -10.379
   66   2H6     A   6          2H6         A   6   7.081   0.111 -11.459
   67    H2     A   6           H2         A   6  10.587  -1.294  -9.026
   68   1H5*    A   7          1H5*        A   7  11.533   0.684  -2.459
   69   2H5*    A   7          2H5*        A   7  12.590   2.111  -2.469
   70    H4*    A   7           H4*        A   7  13.184   0.332  -4.170
   71    H3*    A   7           H3*        A   7  12.604   3.217  -4.848
   72    H2*    A   7           H2*        A   7  12.739   2.803  -7.146
   73   2HO*    A   7          2HO*        A   7  13.914   0.277  -6.986
   74    H1*    A   7           H1*        A   7  11.937   0.105  -7.175
   75    H8     A   7           H8         A   7   9.210   1.859  -5.500
   76   1H6     A   7          1H6         A   7   6.608   3.239  -9.332
   77   2H6     A   7          2H6         A   7   7.007   3.428 -11.027
   78    H2     A   7           H2         A   7  11.308   2.242 -11.526
   79   1H5*    A   8          1H5*        A   8  14.431   2.197  -8.500
   80   2H5*    A   8          2H5*        A   8  16.027   2.973  -8.500
   81    H4*    A   8           H4*        A   8  14.938   4.144 -10.190
   82    H3*    A   8           H3*        A   8  15.116   5.511  -7.619
   83    H2*    A   8           H2*        A   8  13.017   6.415  -7.550
   84   2HO*    A   8          2HO*        A   8  12.922   7.487 -10.055
   85    H1*    A   8           H1*        A   8  12.179   5.744 -10.308
   86    H8     A   8           H8         A   8  11.763   4.806  -6.580
   87   1H6     A   8          1H6         A   8   6.914   4.818  -6.489
   88   2H6     A   8          2H6         A   8   5.702   5.114  -7.716
   89    H2     A   8           H2         A   8   7.919   5.949 -11.547
   90   1H5*    U   9          1H5*        U   9  15.589  10.437  -8.616
   91   2H5*    U   9          2H5*        U   9  14.499   9.068  -8.331
   92    H4*    U   9           H4*        U   9  14.518  10.454 -11.013
   93    H3*    U   9           H3*        U   9  13.755  11.677  -8.463
   94    H2*    U   9           H2*        U   9  11.477  11.607  -8.636
   95   2HO*    U   9          2HO*        U   9  12.100  12.870 -10.853
   96    H1*    U   9           H1*        U   9  11.017   9.870 -10.804
   97    H3     U   9           H3         U   9   8.363   7.559  -8.076
   98    H5     U   9           H5         U   9  11.638   8.525  -5.608
   99    H6     U   9           H6         U   9  12.600   9.696  -7.506
  100   1H5*    C  10          1H5*        C  10  13.474  16.451  -8.809
  101   2H5*    C  10          2H5*        C  10  12.041  15.927  -7.903
  102    H4*    C  10           H4*        C  10  12.285  16.652 -10.712
  103    H3*    C  10           H3*        C  10  10.051  16.122  -8.723
  104    H2*    C  10           H2*        C  10   8.516  15.911 -10.521
  105   2HO*    C  10          2HO*        C  10   8.832  16.869 -12.407
  106    H1*    C  10           H1*        C  10  10.012  14.286 -12.058
  107   1H4     C  10          1H4         C  10   7.869  10.987  -6.709
  108   2H4     C  10          2H4         C  10   6.722  10.623  -7.978
  109    H5     C  10           H5         C  10   9.721  12.507  -7.004
  110    H6     C  10           H6         C  10  10.814  14.056  -8.555
  111   1H5*    C  11          1H5*        C  11   7.111  19.215  -7.635
  112   2H5*    C  11          2H5*        C  11   6.651  17.497  -7.582
  113    H4*    C  11           H4*        C  11   7.451  19.080 -10.039
  114    H3*    C  11           H3*        C  11   4.912  18.654  -8.765
  115    H2*    C  11           H2*        C  11   4.081  16.758  -9.774
  116   2HO*    C  11          2HO*        C  11   5.255  17.932 -12.023
  117    H1*    C  11           H1*        C  11   6.193  15.412 -10.791
  118   1H4     C  11          1H4         C  11   5.408  13.507  -4.556
  119   2H4     C  11          2H4         C  11   7.155  13.555  -4.610
  120    H5     C  11           H5         C  11   4.018  14.344  -6.339
  121    H6     C  11           H6         C  11   3.974  15.364  -8.519
  122   1H5*    C  12          1H5*        C  12   2.129  17.483  -9.664
  123   2H5*    C  12          2H5*        C  12   2.866  17.856 -11.230
  124    H4*    C  12           H4*        C  12   0.423  19.388 -10.898
  125    H3*    C  12           H3*        C  12   0.134  16.890  -9.634
  126    H2*    C  12           H2*        C  12   0.163  15.313 -11.284
  127   2HO*    C  12          2HO*        C  12  -1.288  15.773 -13.181
  128    H1*    C  12           H1*        C  12   0.401  16.581 -13.678
  129   1H4     C  12          1H4         C  12   6.162  13.876 -11.869
  130   2H4     C  12          2H4         C  12   6.292  14.229 -13.578
  131    H5     C  12           H5         C  12   4.284  14.578 -10.510
  132    H6     C  12           H6         C  12   2.064  15.580 -10.555
  133   1H5*    G  13          1H5*        G  13  -3.079  13.692 -10.415
  134   2H5*    G  13          2H5*        G  13  -1.571  14.452  -9.893
  135    H4*    G  13           H4*        G  13  -2.041  13.946 -12.837
  136    H3*    G  13           H3*        G  13  -1.484  11.870 -10.725
  137    H2*    G  13           H2*        G  13   0.356  10.970 -11.909
  138   2HO*    G  13          2HO*        G  13  -0.691  12.361 -14.180
  139    H1*    G  13           H1*        G  13   1.421  13.292 -12.960
  140    H8     G  13           H8         G  13   0.307  13.715  -9.398
  141    H1     G  13           H1         G  13   6.239  11.476  -9.933
  142   1H2     G  13          1H2         G  13   5.532  11.271 -13.333
  143   2H2     G  13          2H2         G  13   6.718  11.098 -12.055
  144   1H5*    A  14          1H5*        A  14  -0.955   7.687 -12.641
  145   2H5*    A  14          2H5*        A  14  -0.175   8.861 -11.564
  146    H4*    A  14           H4*        A  14   0.883   8.438 -14.358
  147    H3*    A  14           H3*        A  14   0.805   6.423 -12.240
  148    H2*    A  14           H2*        A  14   2.959   6.532 -11.495
  149   2HO*    A  14          2HO*        A  14   4.665   6.414 -12.957
  150    H1*    A  14           H1*        A  14   4.011   8.777 -12.858
  151    H8     A  14           H8         A  14   1.434   9.447 -10.167
  152   1H6     A  14          1H6         A  14   4.378   9.725  -6.347
  153   2H6     A  14          2H6         A  14   6.084   9.401  -6.127
  154    H2     A  14           H2         A  14   7.681   8.045 -10.105
  155   1H5*    A  15          1H5*        A  15   1.155   4.095 -12.059
  156   2H5*    A  15          2H5*        A  15  -0.001   2.949 -12.775
  157    H4*    A  15           H4*        A  15  -1.597   3.316 -11.086
  158    H3*    A  15           H3*        A  15  -1.032   5.976 -11.154
  159    H2*    A  15           H2*        A  15   1.161   5.816 -10.171
  160   2HO*    A  15          2HO*        A  15  -0.850   6.334  -8.263
  161    H1*    A  15           H1*        A  15   0.111   3.918  -8.078
  162    H8     A  15           H8         A  15   3.019   4.286 -10.675
  163   1H6     A  15          1H6         A  15   6.578   2.849  -7.713
  164   2H6     A  15          2H6         A  15   6.613   2.400  -6.022
  165    H2     A  15           H2         A  15   2.404   2.673  -4.502
  166   1H5*    G  16          1H5*        G  16  -5.194   3.218  -7.938
  167   2H5*    G  16          2H5*        G  16  -4.128   4.577  -7.529
  168    H4*    G  16           H4*        G  16  -2.255   3.119  -8.625
  169    H3*    G  16           H3*        G  16  -4.512   1.306  -8.857
  170    H2*    G  16           H2*        G  16  -4.205   0.329  -6.737
  171   2HO*    G  16          2HO*        G  16  -2.486  -1.258  -6.819
  172    H1*    G  16           H1*        G  16  -1.291   1.158  -6.808
  173    H8     G  16           H8         G  16  -4.417   1.292  -4.498
  174    H1     G  16           H1         G  16   0.972  -0.621  -1.674
  175   1H2     G  16          1H2         G  16   2.397  -0.220  -4.833
  176   2H2     G  16          2H2         G  16   2.631  -0.647  -3.153
  177   1H5*    U  17          1H5*        U  17  -2.299  -0.322 -13.088
  178   2H5*    U  17          2H5*        U  17  -1.265  -1.745 -12.860
  179    H4*    U  17           H4*        U  17  -0.457   0.444 -14.211
  180    H3*    U  17           H3*        U  17   1.054  -1.570 -12.531
  181    H2*    U  17           H2*        U  17   3.050  -0.304 -12.732
  182   2HO*    U  17          2HO*        U  17   2.182   1.688 -14.403
  183    H1*    U  17           H1*        U  17   1.988   2.187 -12.443
  184    H3     U  17           H3         U  17   4.539   0.305  -8.981
  185    H5     U  17           H5         U  17   0.519   0.495  -7.792
  186    H6     U  17           H6         U  17  -0.059   1.008 -10.091
  187   1H5*    A  18          1H5*        A  18   3.310  -1.251 -15.272
  188   2H5*    A  18          2H5*        A  18   3.783  -2.494 -16.448
  189    H4*    A  18           H4*        A  18   5.833  -1.904 -15.471
  190    H3*    A  18           H3*        A  18   4.631  -4.319 -14.081
  191    H2*    A  18           H2*        A  18   6.442  -4.368 -12.571
  192   2HO*    A  18          2HO*        A  18   7.984  -4.061 -14.393
  193    H1*    A  18           H1*        A  18   6.829  -1.629 -12.320
  194    H8     A  18           H8         A  18   3.172  -2.331 -11.961
  195   1H6     A  18          1H6         A  18   3.041  -3.523  -7.285
  196   2H6     A  18          2H6         A  18   4.286  -3.886  -6.111
  197    H2     A  18           H2         A  18   8.226  -3.586  -8.243
  198   1H5*    G  19          1H5*        G  19  10.176  -6.174 -14.474
  199   2H5*    G  19          2H5*        G  19   8.819  -7.316 -14.422
  200    H4*    G  19           H4*        G  19  10.160  -5.905 -12.231
  201    H3*    G  19           H3*        G  19   8.259  -8.265 -12.534
  202    H2*    G  19           H2*        G  19   7.877  -8.161 -10.196
  203   2HO*    G  19          2HO*        G  19   9.299  -7.309  -8.796
  204    H1*    G  19           H1*        G  19   7.851  -5.411  -9.975
  205    H8     G  19           H8         G  19   5.814  -6.438 -12.963
  206    H1     G  19           H1         G  19   2.682  -7.151  -7.454
  207   1H2     G  19          1H2         G  19   5.793  -6.602  -5.978
  208   2H2     G  19          2H2         G  19   4.093  -6.950  -5.753
  209   1H5*    G  20          1H5*        G  20   8.588 -11.816 -10.351
  210   2H5*    G  20          2H5*        G  20   8.197 -10.184 -10.924
  211    H4*    G  20           H4*        G  20   9.945 -10.030  -8.612
  212    H3*    G  20           H3*        G  20   7.581 -11.914  -8.411
  213    H2*    G  20           H2*        G  20   6.991 -10.942  -6.294
  214   2HO*    G  20          2HO*        G  20   8.985  -9.086  -6.089
  215    H1*    G  20           H1*        G  20   7.288  -8.377  -6.978
  216    H8     G  20           H8         G  20   5.939  -9.012 -10.140
  217    H1     G  20           H1         G  20   1.482 -10.409  -5.812
  218   1H2     G  20          1H2         G  20   4.104 -10.488  -3.537
  219   2H2     G  20          2H2         G  20   2.383 -10.658  -3.826
  220   1H5*    C  21          1H5*        C  21   8.288 -11.754  -3.064
  221   2H5*    C  21          2H5*        C  21   8.847 -13.377  -3.523
  222    H4*    C  21           H4*        C  21   6.306 -12.867  -2.784
  223    H3*    C  21           H3*        C  21   7.513 -14.886  -4.673
  224    H2*    C  21           H2*        C  21   5.517 -15.143  -5.805
  225   2HO*    C  21          2HO*        C  21   3.604 -15.082  -3.990
  226    H1*    C  21           H1*        C  21   4.101 -13.108  -4.143
  227   1H4     C  21          1H4         C  21   2.538 -12.044 -10.402
  228   2H4     C  21          2H4         C  21   1.082 -12.655  -9.651
  229    H5     C  21           H5         C  21   4.646 -11.915  -9.236
  230    H6     C  21           H6         C  21   5.825 -12.286  -7.180
  231   1H5*    C  22          1H5*        C  22   2.788 -15.456  -1.995
  232   2H5*    C  22          2H5*        C  22   2.894 -16.614  -0.653
  233    H4*    C  22           H4*        C  22   1.990 -18.191  -1.980
  234    H3*    C  22           H3*        C  22   4.461 -17.604  -3.644
  235    H2*    C  22           H2*        C  22   3.584 -18.913  -5.361
  236   2HO*    C  22          2HO*        C  22   2.577 -20.723  -4.935
  237    H1*    C  22           H1*        C  22   0.851 -18.355  -4.802
  238   1H4     C  22          1H4         C  22   3.356 -14.708  -9.733
  239   2H4     C  22          2H4         C  22   1.643 -14.889 -10.040
  240    H5     C  22           H5         C  22   4.442 -15.569  -7.758
  241    H6     C  22           H6         C  22   4.119 -16.812  -5.666
  242    H3T    C  22           H3T        C  22   5.179 -19.209  -2.469
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1 -10.950 -16.244 -11.977
    2   2H5*    G   1          2H5*        G   1  -9.254 -15.962 -12.418
    3    H4*    G   1           H4*        G   1 -10.258 -17.161  -9.804
    4    H3*    G   1           H3*        G   1  -9.284 -14.417 -10.635
    5    H2*    G   1           H2*        G   1  -8.017 -14.206  -8.674
    6   2HO*    G   1          2HO*        G   1  -8.902 -16.391  -7.266
    7    H1*    G   1           H1*        G   1  -7.315 -16.888  -8.317
    8    H8     G   1           H8         G   1  -6.977 -14.608 -11.446
    9    H1     G   1           H1         G   1  -1.525 -15.781  -8.355
   10   1H2     G   1          1H2         G   1  -3.519 -17.619  -6.166
   11   2H2     G   1          2H2         G   1  -1.917 -17.054  -6.583
   12    H5T    G   1           H5T        G   1  -9.996 -17.882 -13.326
   13   1H5*    G   2          1H5*        G   2  -9.761 -12.060  -6.082
   14   2H5*    G   2          2H5*        G   2  -8.851 -12.500  -7.541
   15    H4*    G   2           H4*        G   2  -8.920 -14.430  -5.228
   16    H3*    G   2           H3*        G   2  -7.475 -11.770  -5.316
   17    H2*    G   2           H2*        G   2  -5.483 -12.759  -4.610
   18   2HO*    G   2          2HO*        G   2  -5.929 -13.818  -2.799
   19    H1*    G   2           H1*        G   2  -5.856 -15.327  -5.676
   20    H8     G   2           H8         G   2  -6.145 -13.068  -8.544
   21    H1     G   2           H1         G   2  -0.113 -13.526  -6.527
   22   1H2     G   2          1H2         G   2  -1.506 -14.920  -3.657
   23   2H2     G   2          2H2         G   2  -0.059 -14.411  -4.498
   24   1H5*    C   3          1H5*        C   3  -5.764 -11.838  -0.239
   25   2H5*    C   3          2H5*        C   3  -5.462 -10.558  -1.431
   26    H4*    C   3           H4*        C   3  -3.814 -13.000  -0.790
   27    H3*    C   3           H3*        C   3  -3.404 -10.018  -1.032
   28    H2*    C   3           H2*        C   3  -1.468 -10.270  -2.258
   29   2HO*    C   3          2HO*        C   3  -0.993 -11.972  -0.166
   30    H1*    C   3           H1*        C   3  -1.710 -13.151  -2.739
   31   1H4     C   3          1H4         C   3  -1.530  -9.876  -8.450
   32   2H4     C   3          2H4         C   3   0.159 -10.018  -8.020
   33    H5     C   3           H5         C   3  -3.327 -10.533  -6.969
   34    H6     C   3           H6         C   3  -3.882 -11.393  -4.770
   35   1H5*    C   4          1H5*        C   4   0.980 -11.047  -0.477
   36   2H5*    C   4          2H5*        C   4   1.068 -10.337   1.148
   37    H4*    C   4           H4*        C   4   2.570  -8.954   0.108
   38    H3*    C   4           H3*        C   4  -0.207  -7.850  -0.321
   39    H2*    C   4           H2*        C   4   0.360  -6.564  -2.079
   40   2HO*    C   4          2HO*        C   4   2.930  -5.902  -1.647
   41    H1*    C   4           H1*        C   4   3.063  -7.613  -2.514
   42   1H4     C   4          1H4         C   4  -1.111  -7.859  -7.651
   43   2H4     C   4          2H4         C   4   0.493  -7.550  -8.290
   44    H5     C   4           H5         C   4  -1.547  -8.156  -5.260
   45    H6     C   4           H6         C   4  -0.539  -8.297  -3.065
   46   1H5*    G   5          1H5*        G   5   4.895  -4.840   0.612
   47   2H5*    G   5          2H5*        G   5   3.242  -4.358   0.186
   48    H4*    G   5           H4*        G   5   5.597  -4.909  -1.618
   49    H3*    G   5           H3*        G   5   3.478  -2.752  -1.291
   50    H2*    G   5           H2*        G   5   3.682  -2.235  -3.580
   51   2HO*    G   5          2HO*        G   5   5.491  -2.941  -4.812
   52    H1*    G   5           H1*        G   5   4.107  -4.822  -4.517
   53    H8     G   5           H8         G   5   1.195  -4.537  -2.098
   54    H1     G   5           H1         G   5  -0.345  -2.812  -8.035
   55   1H2     G   5          1H2         G   5   3.083  -2.951  -8.636
   56   2H2     G   5          2H2         G   5   1.484  -2.635  -9.272
   57   1H5*    A   6          1H5*        A   6   6.122   0.754  -3.446
   58   2H5*    A   6          2H5*        A   6   5.424  -0.865  -3.251
   59    H4*    A   6           H4*        A   6   8.026  -1.443  -2.761
   60    H3*    A   6           H3*        A   6   8.004   1.060  -4.485
   61    H2*    A   6           H2*        A   6   9.737   0.124  -5.811
   62   2HO*    A   6          2HO*        A   6  11.002  -1.581  -5.110
   63    H1*    A   6           H1*        A   6   8.797  -2.453  -5.877
   64    H8     A   6           H8         A   6   5.657  -0.913  -6.583
   65   1H6     A   6          1H6         A   6   6.294   0.808 -11.040
   66   2H6     A   6          2H6         A   6   7.713   1.092 -12.023
   67    H2     A   6           H2         A   6  11.267  -0.118  -9.551
   68   1H5*    A   7          1H5*        A   7  11.803   0.999  -2.887
   69   2H5*    A   7          2H5*        A   7  12.599   2.536  -2.491
   70    H4*    A   7           H4*        A   7  13.636   1.513  -4.473
   71    H3*    A   7           H3*        A   7  12.056   4.081  -4.812
   72    H2*    A   7           H2*        A   7  12.501   4.075  -7.124
   73   2HO*    A   7          2HO*        A   7  14.214   2.745  -7.990
   74    H1*    A   7           H1*        A   7  12.494   1.307  -7.529
   75    H8     A   7           H8         A   7   9.418   2.253  -5.647
   76   1H6     A   7          1H6         A   7   6.514   3.327  -9.362
   77   2H6     A   7          2H6         A   7   6.822   3.646 -11.056
   78    H2     A   7           H2         A   7  11.252   3.239 -11.691
   79   1H5*    A   8          1H5*        A   8  15.006   4.549  -7.516
   80   2H5*    A   8          2H5*        A   8  15.727   6.156  -7.299
   81    H4*    A   8           H4*        A   8  14.754   5.955  -9.527
   82    H3*    A   8           H3*        A   8  13.903   7.932  -7.536
   83    H2*    A   8           H2*        A   8  11.676   7.938  -7.962
   84   2HO*    A   8          2HO*        A   8  12.656   9.275  -9.826
   85    H1*    A   8           H1*        A   8  11.663   6.207 -10.338
   86    H8     A   8           H8         A   8  11.178   5.736  -6.636
   87   1H6     A   8          1H6         A   8   6.325   5.185  -6.766
   88   2H6     A   8          2H6         A   8   5.169   5.273  -8.076
   89    H2     A   8           H2         A   8   7.528   6.147 -11.835
   90   1H5*    U   9          1H5*        U   9  15.034   7.888 -12.848
   91   2H5*    U   9          2H5*        U   9  16.223   9.047 -13.462
   92    H4*    U   9           H4*        U   9  14.718  10.812 -13.474
   93    H3*    U   9           H3*        U   9  13.931   9.861 -10.942
   94    H2*    U   9           H2*        U   9  11.858   8.841 -11.265
   95   2HO*    U   9          2HO*        U   9  10.259  10.100 -11.873
   96    H1*    U   9           H1*        U   9  11.378   8.812 -13.938
   97    H3     U   9           H3         U   9  12.618   4.584 -15.023
   98    H5     U   9           H5         U   9  13.637   5.000 -10.971
   99    H6     U   9           H6         U   9  13.175   7.383 -11.143
  100   1H5*    C  10          1H5*        C  10  14.334  15.287 -10.311
  101   2H5*    C  10          2H5*        C  10  13.147  14.882  -9.058
  102    H4*    C  10           H4*        C  10  12.630  15.809 -11.684
  103    H3*    C  10           H3*        C  10  11.021  14.885  -9.314
  104    H2*    C  10           H2*        C  10   9.147  14.352 -10.567
  105   2HO*    C  10          2HO*        C  10   9.980  16.479 -12.031
  106    H1*    C  10           H1*        C  10  10.280  13.431 -12.885
  107   1H4     C  10          1H4         C  10  10.085   8.760  -8.182
  108   2H4     C  10          2H4         C  10   8.479   8.743  -8.875
  109    H5     C  10           H5         C  10  11.766  10.380  -8.800
  110    H6     C  10           H6         C  10  12.295  12.236 -10.259
  111   1H5*    C  11          1H5*        C  11   8.388  17.897  -7.158
  112   2H5*    C  11          2H5*        C  11   8.026  16.539  -8.236
  113    H4*    C  11           H4*        C  11   6.711  19.258  -8.116
  114    H3*    C  11           H3*        C  11   5.998  16.625  -7.243
  115    H2*    C  11           H2*        C  11   4.729  15.805  -8.959
  116   2HO*    C  11          2HO*        C  11   3.308  18.044  -9.610
  117    H1*    C  11           H1*        C  11   4.715  17.945 -10.796
  118   1H4     C  11          1H4         C  11   7.383  12.485 -13.190
  119   2H4     C  11          2H4         C  11   6.783  13.388 -14.562
  120    H5     C  11           H5         C  11   7.236  13.331 -10.909
  121    H6     C  11           H6         C  11   6.667  15.169  -9.505
  122   1H5*    C  12          1H5*        C  12   3.215  15.948  -7.391
  123   2H5*    C  12          2H5*        C  12   1.526  16.425  -7.440
  124    H4*    C  12           H4*        C  12   0.939  14.843  -5.998
  125    H3*    C  12           H3*        C  12   2.828  16.308  -4.345
  126    H2*    C  12           H2*        C  12   4.035  14.637  -3.433
  127   2HO*    C  12          2HO*        C  12   2.867  12.691  -2.688
  128    H1*    C  12           H1*        C  12   3.146  12.330  -4.813
  129   1H4     C  12          1H4         C  12   9.216  14.191  -6.618
  130   2H4     C  12          2H4         C  12   9.485  13.105  -5.273
  131    H5     C  12           H5         C  12   6.993  14.924  -7.297
  132    H6     C  12           H6         C  12   4.655  14.696  -6.919
  133   1H5*    G  13          1H5*        G  13  -1.288  12.319  -5.775
  134   2H5*    G  13          2H5*        G  13   0.474  12.139  -5.762
  135    H4*    G  13           H4*        G  13  -1.244  13.299  -7.997
  136    H3*    G  13           H3*        G  13   0.360  10.746  -7.632
  137    H2*    G  13           H2*        G  13   0.942  10.796  -9.942
  138   2HO*    G  13          2HO*        G  13  -1.263  11.526 -10.560
  139    H1*    G  13           H1*        G  13   1.582  13.428 -10.084
  140    H8     G  13           H8         G  13   2.394  11.925  -6.725
  141    H1     G  13           H1         G  13   6.915  10.776 -11.019
  142   1H2     G  13          1H2         G  13   4.708  12.166 -13.305
  143   2H2     G  13          2H2         G  13   6.294  11.483 -13.001
  144   1H5*    A  14          1H5*        A  14  -1.325  10.221 -11.957
  145   2H5*    A  14          2H5*        A  14  -1.497   8.463 -11.804
  146    H4*    A  14           H4*        A  14   0.320   9.600 -13.431
  147    H3*    A  14           H3*        A  14   0.094   6.998 -12.078
  148    H2*    A  14           H2*        A  14   2.284   6.654 -11.541
  149   2HO*    A  14          2HO*        A  14   3.471   6.280 -13.234
  150    H1*    A  14           H1*        A  14   3.486   9.139 -12.339
  151    H8     A  14           H8         A  14   1.350   8.525  -9.179
  152   1H6     A  14          1H6         A  14   5.014   7.846  -6.091
  153   2H6     A  14          2H6         A  14   6.751   7.796  -6.299
  154    H2     A  14           H2         A  14   7.541   8.363 -10.693
  155   1H5*    A  15          1H5*        A  15   1.118   4.393 -12.271
  156   2H5*    A  15          2H5*        A  15   0.085   3.334 -13.256
  157    H4*    A  15           H4*        A  15  -1.530   3.126 -11.570
  158    H3*    A  15           H3*        A  15  -1.364   5.797 -11.129
  159    H2*    A  15           H2*        A  15   0.830   5.763 -10.121
  160   2HO*    A  15          2HO*        A  15   0.381   5.816  -7.761
  161    H1*    A  15           H1*        A  15   0.000   3.411  -8.416
  162    H8     A  15           H8         A  15   2.908   4.375 -10.874
  163   1H6     A  15          1H6         A  15   6.556   3.120  -7.974
  164   2H6     A  15          2H6         A  15   6.635   2.565  -6.317
  165    H2     A  15           H2         A  15   2.404   2.282  -4.836
  166   1H5*    G  16          1H5*        G  16  -5.456   2.438  -8.751
  167   2H5*    G  16          2H5*        G  16  -4.405   3.515  -7.811
  168    H4*    G  16           H4*        G  16  -2.648   2.697  -9.715
  169    H3*    G  16           H3*        G  16  -4.814   0.906 -10.142
  170    H2*    G  16           H2*        G  16  -4.469  -0.369  -8.179
  171   2HO*    G  16          2HO*        G  16  -2.461  -1.249 -10.010
  172    H1*    G  16           H1*        G  16  -1.491   0.155  -8.369
  173    H8     G  16           H8         G  16  -4.541  -0.194  -6.029
  174    H1     G  16           H1         G  16   1.056  -1.619  -3.329
  175   1H2     G  16          1H2         G  16   2.422  -0.617  -6.375
  176   2H2     G  16          2H2         G  16   2.706  -1.223  -4.758
  177   1H5*    U  17          1H5*        U  17  -1.689  -0.329 -14.901
  178   2H5*    U  17          2H5*        U  17  -1.135  -0.820 -13.288
  179    H4*    U  17           H4*        U  17  -0.166   1.507 -14.977
  180    H3*    U  17           H3*        U  17   1.019  -1.061 -13.890
  181    H2*    U  17           H2*        U  17   3.057   0.015 -13.431
  182   2HO*    U  17          2HO*        U  17   2.540   1.186 -15.742
  183    H1*    U  17           H1*        U  17   2.096   2.574 -12.894
  184    H3     U  17           H3         U  17   4.706   0.512  -9.664
  185    H5     U  17           H5         U  17   0.675   0.034  -8.578
  186    H6     U  17           H6         U  17   0.066   0.822 -10.792
  187   1H5*    A  18          1H5*        A  18   3.904  -3.018 -15.434
  188   2H5*    A  18          2H5*        A  18   3.536  -2.469 -13.786
  189    H4*    A  18           H4*        A  18   6.109  -1.799 -15.260
  190    H3*    A  18           H3*        A  18   5.326  -4.183 -13.595
  191    H2*    A  18           H2*        A  18   7.271  -4.055 -12.273
  192   2HO*    A  18          2HO*        A  18   8.265  -2.676 -14.519
  193    H1*    A  18           H1*        A  18   7.501  -1.341 -12.042
  194    H8     A  18           H8         A  18   3.871  -1.978 -11.674
  195   1H6     A  18          1H6         A  18   3.689  -3.387  -7.056
  196   2H6     A  18          2H6         A  18   4.919  -3.828  -5.892
  197    H2     A  18           H2         A  18   8.869  -3.522  -7.984
  198   1H5*    G  19          1H5*        G  19  10.333  -5.708 -13.998
  199   2H5*    G  19          2H5*        G  19   9.325  -7.168 -13.902
  200    H4*    G  19           H4*        G  19  10.839  -6.015 -11.826
  201    H3*    G  19           H3*        G  19   8.746  -8.196 -12.041
  202    H2*    G  19           H2*        G  19   8.536  -8.272  -9.688
  203   2HO*    G  19          2HO*        G  19  10.933  -6.717  -9.641
  204    H1*    G  19           H1*        G  19   8.598  -5.598  -9.189
  205    H8     G  19           H8         G  19   6.611  -6.143 -12.350
  206    H1     G  19           H1         G  19   3.252  -7.247  -7.051
  207   1H2     G  19          1H2         G  19   6.331  -7.037  -5.431
  208   2H2     G  19          2H2         G  19   4.607  -7.304  -5.293
  209   1H5*    G  20          1H5*        G  20  11.199  -9.280  -8.235
  210   2H5*    G  20          2H5*        G  20  11.279 -11.028  -8.537
  211    H4*    G  20           H4*        G  20  10.077 -10.221  -6.383
  212    H3*    G  20           H3*        G  20   9.061 -12.235  -8.397
  213    H2*    G  20           H2*        G  20   6.954 -12.192  -7.531
  214   2HO*    G  20          2HO*        G  20   7.266 -13.195  -5.641
  215    H1*    G  20           H1*        G  20   7.328  -9.862  -5.777
  216    H8     G  20           H8         G  20   6.650  -9.155  -9.378
  217    H1     G  20           H1         G  20   1.311 -10.543  -6.182
  218   1H2     G  20          1H2         G  20   3.467 -11.494  -3.614
  219   2H2     G  20          2H2         G  20   1.818 -11.348  -4.177
  220   1H5*    C  21          1H5*        C  21   8.650 -15.686  -4.311
  221   2H5*    C  21          2H5*        C  21   7.465 -16.308  -5.475
  222    H4*    C  21           H4*        C  21   7.050 -14.772  -2.981
  223    H3*    C  21           H3*        C  21   5.517 -16.750  -4.685
  224    H2*    C  21           H2*        C  21   3.455 -15.837  -4.033
  225   2HO*    C  21          2HO*        C  21   3.991 -14.327  -1.906
  226    H1*    C  21           H1*        C  21   4.330 -13.237  -3.391
  227   1H4     C  21          1H4         C  21   1.769 -12.145  -9.215
  228   2H4     C  21          2H4         C  21   0.359 -12.673  -8.325
  229    H5     C  21           H5         C  21   4.021 -12.307  -8.342
  230    H6     C  21           H6         C  21   5.376 -13.027  -6.452
  231   1H5*    C  22          1H5*        C  22   5.370 -20.686  -4.179
  232   2H5*    C  22          2H5*        C  22   5.022 -19.829  -5.694
  233    H4*    C  22           H4*        C  22   3.655 -19.540  -3.004
  234    H3*    C  22           H3*        C  22   2.890 -20.297  -5.824
  235    H2*    C  22           H2*        C  22   0.873 -19.219  -5.674
  236   2HO*    C  22          2HO*        C  22   0.957 -19.198  -2.833
  237    H1*    C  22           H1*        C  22   1.565 -17.302  -3.684
  238   1H4     C  22          1H4         C  22   1.779 -14.359  -9.566
  239   2H4     C  22          2H4         C  22   0.079 -14.748  -9.429
  240    H5     C  22           H5         C  22   3.442 -15.137  -7.997
  241    H6     C  22           H6         C  22   3.826 -16.435  -5.977
  242    H3T    C  22           H3T        C  22   2.446 -22.059  -4.758
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  -9.198 -16.037 -13.761
    2   2H5*    G   1          2H5*        G   1 -10.218 -14.871 -12.892
    3    H4*    G   1           H4*        G   1  -9.122 -16.445 -11.335
    4    H3*    G   1           H3*        G   1  -8.560 -13.497 -11.256
    5    H2*    G   1           H2*        G   1  -6.589 -13.754 -10.120
    6   2HO*    G   1          2HO*        G   1  -7.987 -15.699  -8.556
    7    H1*    G   1           H1*        G   1  -6.645 -16.720 -10.067
    8    H8     G   1           H8         G   1  -5.077 -14.431 -12.695
    9    H1     G   1           H1         G   1  -0.959 -16.538  -8.318
   10   1H2     G   1          1H2         G   1  -3.782 -17.796  -6.719
   11   2H2     G   1          2H2         G   1  -2.044 -17.600  -6.708
   12    H5T    G   1           H5T        G   1  -8.435 -13.397 -13.037
   13   1H5*    G   2          1H5*        G   2  -9.740 -12.575  -5.956
   14   2H5*    G   2          2H5*        G   2  -8.281 -12.541  -6.969
   15    H4*    G   2           H4*        G   2  -8.965 -14.568  -4.806
   16    H3*    G   2           H3*        G   2  -7.113 -12.199  -5.009
   17    H2*    G   2           H2*        G   2  -5.321 -13.368  -4.046
   18   2HO*    G   2          2HO*        G   2  -5.909 -15.565  -3.063
   19    H1*    G   2           H1*        G   2  -5.761 -15.869  -5.081
   20    H8     G   2           H8         G   2  -6.183 -13.635  -7.977
   21    H1     G   2           H1         G   2  -0.062 -14.136  -6.255
   22   1H2     G   2          1H2         G   2  -1.323 -15.546  -3.327
   23   2H2     G   2          2H2         G   2   0.086 -15.047  -4.237
   24   1H5*    C   3          1H5*        C   3  -5.386 -12.220  -0.222
   25   2H5*    C   3          2H5*        C   3  -5.220 -10.764  -1.219
   26    H4*    C   3           H4*        C   3  -3.302 -12.964  -0.737
   27    H3*    C   3           H3*        C   3  -3.235 -10.029  -1.477
   28    H2*    C   3           H2*        C   3  -1.365 -10.297  -2.785
   29   2HO*    C   3          2HO*        C   3  -0.348 -12.541  -1.459
   30    H1*    C   3           H1*        C   3  -1.405 -13.193  -2.991
   31   1H4     C   3          1H4         C   3  -2.351 -10.290  -8.843
   32   2H4     C   3          2H4         C   3  -0.615 -10.256  -8.640
   33    H5     C   3           H5         C   3  -3.866 -11.041  -7.106
   34    H6     C   3           H6         C   3  -4.032 -11.835  -4.814
   35   1H5*    C   4          1H5*        C   4   0.167 -10.673  -0.516
   36   2H5*    C   4          2H5*        C   4   1.333 -10.880   0.801
   37    H4*    C   4           H4*        C   4   2.454  -8.976   0.273
   38    H3*    C   4           H3*        C   4  -0.314  -7.832  -0.103
   39    H2*    C   4           H2*        C   4   0.243  -6.542  -1.861
   40   2HO*    C   4          2HO*        C   4   1.767  -5.511  -0.162
   41    H1*    C   4           H1*        C   4   2.912  -7.641  -2.368
   42   1H4     C   4          1H4         C   4  -1.428  -7.928  -7.372
   43   2H4     C   4          2H4         C   4   0.152  -7.663  -8.080
   44    H5     C   4           H5         C   4  -1.786  -8.130  -4.975
   45    H6     C   4           H6         C   4  -0.715  -8.235  -2.810
   46   1H5*    G   5          1H5*        G   5   4.839  -4.905   0.751
   47   2H5*    G   5          2H5*        G   5   3.193  -4.403   0.318
   48    H4*    G   5           H4*        G   5   5.529  -5.040  -1.487
   49    H3*    G   5           H3*        G   5   3.509  -2.797  -1.144
   50    H2*    G   5           H2*        G   5   3.680  -2.299  -3.439
   51   2HO*    G   5          2HO*        G   5   5.484  -2.639  -4.583
   52    H1*    G   5           H1*        G   5   4.010  -4.906  -4.376
   53    H8     G   5           H8         G   5   1.147  -4.545  -1.924
   54    H1     G   5           H1         G   5  -0.408  -2.667  -7.810
   55   1H2     G   5          1H2         G   5   3.000  -2.941  -8.472
   56   2H2     G   5          2H2         G   5   1.404  -2.558  -9.078
   57   1H5*    A   6          1H5*        A   6   6.405   0.775  -2.904
   58   2H5*    A   6          2H5*        A   6   5.556  -0.783  -2.888
   59    H4*    A   6           H4*        A   6   8.177  -1.509  -2.324
   60    H3*    A   6           H3*        A   6   8.164   0.908  -4.166
   61    H2*    A   6           H2*        A   6   9.791  -0.158  -5.532
   62   2HO*    A   6          2HO*        A   6  11.297  -1.163  -4.428
   63    H1*    A   6           H1*        A   6   8.733  -2.675  -5.475
   64    H8     A   6           H8         A   6   5.624  -0.963  -5.942
   65   1H6     A   6          1H6         A   6   5.955   0.543 -10.522
   66   2H6     A   6          2H6         A   6   7.295   0.684 -11.638
   67    H2     A   6           H2         A   6  10.975  -0.655  -9.436
   68   1H5*    A   7          1H5*        A   7  12.415   1.011  -3.124
   69   2H5*    A   7          2H5*        A   7  12.875   2.721  -3.257
   70    H4*    A   7           H4*        A   7  13.723   1.005  -5.053
   71    H3*    A   7           H3*        A   7  12.698   3.812  -5.391
   72    H2*    A   7           H2*        A   7  12.551   3.648  -7.712
   73   2HO*    A   7          2HO*        A   7  14.056   1.324  -8.019
   74    H1*    A   7           H1*        A   7  12.087   0.907  -8.002
   75    H8     A   7           H8         A   7   9.485   1.961  -5.698
   76   1H6     A   7          1H6         A   7   6.168   3.548  -8.820
   77   2H6     A   7          2H6         A   7   6.249   4.055 -10.491
   78    H2     A   7           H2         A   7  10.508   3.604 -11.794
   79   1H5*    A   8          1H5*        A   8  14.590   3.885  -9.590
   80   2H5*    A   8          2H5*        A   8  15.891   5.020  -9.174
   81    H4*    A   8           H4*        A   8  14.414   6.245 -10.586
   82    H3*    A   8           H3*        A   8  14.478   6.881  -7.708
   83    H2*    A   8           H2*        A   8  12.264   7.384  -7.462
   84   2HO*    A   8          2HO*        A   8  11.428   9.094  -8.785
   85    H1*    A   8           H1*        A   8  11.470   7.170 -10.290
   86    H8     A   8           H8         A   8  11.388   5.289  -6.899
   87   1H6     A   8          1H6         A   8   6.561   4.955  -6.554
   88   2H6     A   8          2H6         A   8   5.259   5.446  -7.614
   89    H2     A   8           H2         A   8   7.169   7.345 -11.215
   90   1H5*    U   9          1H5*        U   9  13.310  10.055 -10.493
   91   2H5*    U   9          2H5*        U   9  14.056  11.641 -10.244
   92    H4*    U   9           H4*        U   9  11.660  11.988 -10.661
   93    H3*    U   9           H3*        U   9  12.931  12.682  -8.176
   94    H2*    U   9           H2*        U   9  11.126  12.394  -6.746
   95   2HO*    U   9          2HO*        U   9   9.893  13.789  -8.842
   96    H1*    U   9           H1*        U   9   9.214  11.126  -8.481
   97    H3     U   9           H3         U   9   8.559   8.686  -4.774
   98    H5     U   9           H5         U   9  12.739   8.546  -5.331
   99    H6     U   9           H6         U   9  12.444   9.989  -7.272
  100   1H5*    C  10          1H5*        C  10  13.996  13.185 -11.728
  101   2H5*    C  10          2H5*        C  10  14.762  14.699 -12.244
  102    H4*    C  10           H4*        C  10  13.901  14.494 -14.323
  103    H3*    C  10           H3*        C  10  11.335  14.221 -12.771
  104    H2*    C  10           H2*        C  10  10.266  13.084 -14.474
  105   2HO*    C  10          2HO*        C  10  12.172  14.332 -16.192
  106    H1*    C  10           H1*        C  10  12.450  11.800 -15.656
  107   1H4     C  10          1H4         C  10   9.473   8.001 -11.143
  108   2H4     C  10          2H4         C  10   8.475   7.837 -12.570
  109    H5     C  10           H5         C  10  11.298   9.550 -10.994
  110    H6     C  10           H6         C  10  12.625  11.235 -12.167
  111   1H5*    C  11          1H5*        C  11   9.285  15.955 -15.621
  112   2H5*    C  11          2H5*        C  11   9.727  17.211 -16.793
  113    H4*    C  11           H4*        C  11   7.990  18.714 -15.648
  114    H3*    C  11           H3*        C  11   7.909  16.621 -13.747
  115    H2*    C  11           H2*        C  11   6.225  15.178 -14.424
  116   2HO*    C  11          2HO*        C  11   4.521  16.743 -15.775
  117    H1*    C  11           H1*        C  11   5.684  15.766 -17.015
  118   1H4     C  11          1H4         C  11  10.429  11.286 -17.106
  119   2H4     C  11          2H4         C  11  10.930  12.265 -18.465
  120    H5     C  11           H5         C  11   8.683  11.973 -15.561
  121    H6     C  11           H6         C  11   6.969  13.592 -15.111
  122   1H5*    C  12          1H5*        C  12   4.687  16.034 -13.143
  123   2H5*    C  12          2H5*        C  12   3.153  16.848 -13.405
  124    H4*    C  12           H4*        C  12   2.254  15.797 -11.689
  125    H3*    C  12           H3*        C  12   4.225  17.426 -10.368
  126    H2*    C  12           H2*        C  12   5.196  15.971  -8.958
  127   2HO*    C  12          2HO*        C  12   2.707  14.711  -8.426
  128    H1*    C  12           H1*        C  12   4.113  13.465  -9.592
  129   1H4     C  12          1H4         C  12  10.315  14.713 -11.553
  130   2H4     C  12          2H4         C  12  10.522  14.324  -9.864
  131    H5     C  12           H5         C  12   8.154  14.855 -12.632
  132    H6     C  12           H6         C  12   5.798  14.604 -12.320
  133   1H5*    G  13          1H5*        G  13  -0.568  14.047 -11.488
  134   2H5*    G  13          2H5*        G  13   1.022  13.479 -10.939
  135    H4*    G  13           H4*        G  13   0.392  14.616 -13.703
  136    H3*    G  13           H3*        G  13   0.470  11.844 -12.583
  137    H2*    G  13           H2*        G  13   1.997  11.024 -14.125
  138   2HO*    G  13          2HO*        G  13   2.122  12.600 -16.174
  139    H1*    G  13           H1*        G  13   3.323  13.341 -14.890
  140    H8     G  13           H8         G  13   3.237  12.545 -11.227
  141    H1     G  13           H1         G  13   8.078   9.766 -14.270
  142   1H2     G  13          1H2         G  13   6.583  11.003 -17.157
  143   2H2     G  13          2H2         G  13   7.935  10.144 -16.440
  144   1H5*    A  14          1H5*        A  14  -0.428   8.434 -14.064
  145   2H5*    A  14          2H5*        A  14   0.132   9.692 -12.944
  146    H4*    A  14           H4*        A  14   2.008   8.451 -14.971
  147    H3*    A  14           H3*        A  14   0.757   7.094 -12.727
  148    H2*    A  14           H2*        A  14   2.386   7.327 -11.149
  149   2HO*    A  14          2HO*        A  14   3.418   5.565 -12.233
  150    H1*    A  14           H1*        A  14   4.436   8.743 -12.569
  151    H8     A  14           H8         A  14   1.437  10.574 -11.163
  152   1H6     A  14          1H6         A  14   3.103  11.609  -6.766
  153   2H6     A  14          2H6         A  14   4.557  11.164  -5.900
  154    H2     A  14           H2         A  14   6.893   8.439  -8.601
  155   1H5*    A  15          1H5*        A  15   1.071   5.559 -11.358
  156   2H5*    A  15          2H5*        A  15   1.393   3.968 -12.033
  157    H4*    A  15           H4*        A  15  -1.217   3.640 -11.608
  158    H3*    A  15           H3*        A  15  -1.229   6.116 -10.612
  159    H2*    A  15           H2*        A  15   0.752   5.935  -9.255
  160   2HO*    A  15          2HO*        A  15  -0.013   6.184  -7.257
  161    H1*    A  15           H1*        A  15  -0.066   3.325  -8.064
  162    H8     A  15           H8         A  15   2.802   4.424 -10.479
  163   1H6     A  15          1H6         A  15   6.473   3.134  -7.606
  164   2H6     A  15          2H6         A  15   6.553   2.548  -5.961
  165    H2     A  15           H2         A  15   2.336   2.252  -4.466
  166   1H5*    G  16          1H5*        G  16  -5.119   3.448 -10.041
  167   2H5*    G  16          2H5*        G  16  -5.584   2.926  -8.410
  168    H4*    G  16           H4*        G  16  -2.725   3.021  -9.448
  169    H3*    G  16           H3*        G  16  -4.740   1.082 -10.042
  170    H2*    G  16           H2*        G  16  -4.691   0.059  -7.899
  171   2HO*    G  16          2HO*        G  16  -2.776  -1.476  -7.933
  172    H1*    G  16           H1*        G  16  -1.754   0.794  -7.703
  173    H8     G  16           H8         G  16  -5.065   0.689  -5.675
  174    H1     G  16           H1         G  16   0.139  -1.115  -2.459
  175   1H2     G  16          1H2         G  16   1.833  -0.409  -5.423
  176   2H2     G  16          2H2         G  16   1.930  -0.937  -3.758
  177   1H5*    U  17          1H5*        U  17  -1.042  -1.805 -12.673
  178   2H5*    U  17          2H5*        U  17  -0.860  -0.697 -11.299
  179    H4*    U  17           H4*        U  17  -0.198   0.145 -14.137
  180    H3*    U  17           H3*        U  17   1.424  -1.527 -12.215
  181    H2*    U  17           H2*        U  17   3.361  -0.188 -12.557
  182   2HO*    U  17          2HO*        U  17   1.968   1.152 -14.662
  183    H1*    U  17           H1*        U  17   2.230   2.218 -12.423
  184    H3     U  17           H3         U  17   4.513   0.445  -8.714
  185    H5     U  17           H5         U  17   0.395   0.449  -7.878
  186    H6     U  17           H6         U  17   0.000   0.988 -10.210
  187   1H5*    A  18          1H5*        A  18   3.819  -1.256 -14.702
  188   2H5*    A  18          2H5*        A  18   4.231  -2.506 -15.894
  189    H4*    A  18           H4*        A  18   6.336  -1.896 -15.067
  190    H3*    A  18           H3*        A  18   5.229  -4.307 -13.615
  191    H2*    A  18           H2*        A  18   7.021  -4.318 -12.099
  192   2HO*    A  18          2HO*        A  18   8.631  -2.419 -13.298
  193    H1*    A  18           H1*        A  18   7.465  -1.583 -11.901
  194    H8     A  18           H8         A  18   3.818  -2.027 -11.457
  195   1H6     A  18          1H6         A  18   3.650  -3.463  -6.850
  196   2H6     A  18          2H6         A  18   4.877  -3.969  -5.712
  197    H2     A  18           H2         A  18   8.799  -3.875  -7.890
  198   1H5*    G  19          1H5*        G  19   8.760  -4.813 -14.079
  199   2H5*    G  19          2H5*        G  19   9.635  -6.285 -14.546
  200    H4*    G  19           H4*        G  19  10.234  -5.864 -12.269
  201    H3*    G  19           H3*        G  19   8.146  -8.041 -12.629
  202    H2*    G  19           H2*        G  19   8.098  -8.377 -10.289
  203   2HO*    G  19          2HO*        G  19  10.083  -8.389  -9.495
  204    H1*    G  19           H1*        G  19   8.235  -5.743  -9.527
  205    H8     G  19           H8         G  19   5.961  -6.324 -12.526
  206    H1     G  19           H1         G  19   3.106  -7.326  -6.910
  207   1H2     G  19          1H2         G  19   6.307  -6.976  -5.575
  208   2H2     G  19          2H2         G  19   4.606  -7.261  -5.278
  209   1H5*    G  20          1H5*        G  20   9.077 -12.178 -10.976
  210   2H5*    G  20          2H5*        G  20   7.431 -11.568 -10.709
  211    H4*    G  20           H4*        G  20   9.907 -11.089  -9.020
  212    H3*    G  20           H3*        G  20   7.297 -12.569  -8.710
  213    H2*    G  20           H2*        G  20   7.031 -11.791  -6.460
  214   2HO*    G  20          2HO*        G  20   8.748 -10.649  -5.419
  215    H1*    G  20           H1*        G  20   7.606  -9.244  -6.849
  216    H8     G  20           H8         G  20   6.130  -9.157  -9.986
  217    H1     G  20           H1         G  20   1.644 -10.968  -5.842
  218   1H2     G  20          1H2         G  20   4.322 -11.727  -3.739
  219   2H2     G  20          2H2         G  20   2.589 -11.708  -3.972
  220   1H5*    C  21          1H5*        C  21   8.609 -13.407  -3.495
  221   2H5*    C  21          2H5*        C  21   8.700 -14.991  -4.291
  222    H4*    C  21           H4*        C  21   6.460 -13.920  -3.056
  223    H3*    C  21           H3*        C  21   6.992 -16.186  -4.967
  224    H2*    C  21           H2*        C  21   4.923 -15.992  -5.944
  225   2HO*    C  21          2HO*        C  21   4.370 -16.879  -3.601
  226    H1*    C  21           H1*        C  21   4.086 -13.754  -4.147
  227   1H4     C  21          1H4         C  21   2.009 -12.140 -10.115
  228   2H4     C  21          2H4         C  21   0.597 -12.803  -9.323
  229    H5     C  21           H5         C  21   4.211 -12.191  -9.118
  230    H6     C  21           H6         C  21   5.530 -12.844  -7.222
  231   1H5*    C  22          1H5*        C  22   4.115 -18.393  -0.942
  232   2H5*    C  22          2H5*        C  22   4.820 -18.368  -2.570
  233    H4*    C  22           H4*        C  22   2.087 -19.061  -1.709
  234    H3*    C  22           H3*        C  22   3.836 -19.486  -4.156
  235    H2*    C  22           H2*        C  22   1.951 -20.076  -5.384
  236   2HO*    C  22          2HO*        C  22   1.241 -21.257  -3.124
  237    H1*    C  22           H1*        C  22   0.126 -18.411  -3.995
  238   1H4     C  22          1H4         C  22   2.429 -15.532  -9.510
  239   2H4     C  22          2H4         C  22   0.692 -15.656  -9.676
  240    H5     C  22           H5         C  22   3.635 -16.407  -7.625
  241    H6     C  22           H6         C  22   3.435 -17.515  -5.442
  242    H3T    C  22           H3T        C  22   2.955 -20.922  -1.952
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  -9.646 -12.971 -13.376
    2   2H5*    G   1          2H5*        G   1  -9.933 -14.704 -13.636
    3    H4*    G   1           H4*        G   1  -9.749 -14.965 -11.089
    4    H3*    G   1           H3*        G   1  -9.097 -12.049 -11.399
    5    H2*    G   1           H2*        G   1  -6.986 -12.289 -10.539
    6   2HO*    G   1          2HO*        G   1  -8.015 -14.090  -8.583
    7    H1*    G   1           H1*        G   1  -7.184 -15.235 -10.146
    8    H8     G   1           H8         G   1  -5.798 -13.306 -13.149
    9    H1     G   1           H1         G   1  -1.336 -15.321  -9.069
   10   1H2     G   1          1H2         G   1  -4.043 -16.248  -7.075
   11   2H2     G   1          2H2         G   1  -2.306 -16.178  -7.263
   12    H5T    G   1           H5T        G   1 -11.592 -14.130 -11.783
   13   1H5*    G   2          1H5*        G   2 -10.413 -12.232  -6.195
   14   2H5*    G   2          2H5*        G   2  -9.502 -10.718  -6.014
   15    H4*    G   2           H4*        G   2  -8.926 -13.097  -4.724
   16    H3*    G   2           H3*        G   2  -7.295 -10.616  -5.368
   17    H2*    G   2           H2*        G   2  -5.372 -11.679  -4.497
   18   2HO*    G   2          2HO*        G   2  -5.545 -13.556  -3.173
   19    H1*    G   2           H1*        G   2  -5.929 -14.251  -5.359
   20    H8     G   2           H8         G   2  -6.460 -12.111  -8.329
   21    H1     G   2           H1         G   2  -0.269 -12.914  -7.016
   22   1H2     G   2          1H2         G   2  -1.391 -14.069  -3.927
   23   2H2     G   2          2H2         G   2  -0.027 -13.701  -4.960
   24   1H5*    C   3          1H5*        C   3  -5.869 -11.739  -1.639
   25   2H5*    C   3          2H5*        C   3  -5.579 -10.273  -0.680
   26    H4*    C   3           H4*        C   3  -3.521 -11.700  -1.274
   27    H3*    C   3           H3*        C   3  -3.841  -8.732  -1.618
   28    H2*    C   3           H2*        C   3  -2.159  -8.596  -3.181
   29   2HO*    C   3          2HO*        C   3  -0.122  -9.759  -2.665
   30    H1*    C   3           H1*        C   3  -1.604 -11.528  -3.221
   31   1H4     C   3          1H4         C   3  -2.150  -9.244  -9.402
   32   2H4     C   3          2H4         C   3  -0.427  -9.361  -9.115
   33    H5     C   3           H5         C   3  -3.805  -9.671  -7.694
   34    H6     C   3           H6         C   3  -4.155 -10.175  -5.336
   35   1H5*    C   4          1H5*        C   4   1.101 -11.182  -0.715
   36   2H5*    C   4          2H5*        C   4   1.556 -10.864   0.971
   37    H4*    C   4           H4*        C   4   3.051  -9.395   0.110
   38    H3*    C   4           H3*        C   4   0.397  -7.980  -0.084
   39    H2*    C   4           H2*        C   4   1.104  -6.530  -1.696
   40   2HO*    C   4          2HO*        C   4   3.769  -6.384  -1.331
   41    H1*    C   4           H1*        C   4   3.590  -7.850  -2.424
   42   1H4     C   4          1H4         C   4  -0.823  -7.055  -7.288
   43   2H4     C   4          2H4         C   4   0.776  -6.945  -8.000
   44    H5     C   4           H5         C   4  -1.183  -7.463  -4.903
   45    H6     C   4           H6         C   4  -0.105  -7.957  -2.790
   46   1H5*    G   5          1H5*        G   5   4.475  -3.628   1.364
   47   2H5*    G   5          2H5*        G   5   3.127  -3.672   0.216
   48    H4*    G   5           H4*        G   5   6.031  -4.419  -0.246
   49    H3*    G   5           H3*        G   5   4.093  -2.341  -1.240
   50    H2*    G   5           H2*        G   5   4.860  -2.515  -3.467
   51   2HO*    G   5          2HO*        G   5   7.182  -2.959  -2.344
   52    H1*    G   5           H1*        G   5   5.058  -5.175  -3.681
   53    H8     G   5           H8         G   5   2.124  -4.639  -1.445
   54    H1     G   5           H1         G   5   0.745  -2.997  -7.436
   55   1H2     G   5          1H2         G   5   4.182  -3.206  -7.956
   56   2H2     G   5          2H2         G   5   2.604  -2.872  -8.632
   57   1H5*    A   6          1H5*        A   6   6.257   1.944  -1.911
   58   2H5*    A   6          2H5*        A   6   5.584   1.247  -3.399
   59    H4*    A   6           H4*        A   6   8.006   0.172  -1.892
   60    H3*    A   6           H3*        A   6   7.673   1.985  -4.296
   61    H2*    A   6           H2*        A   6   9.555   0.948  -5.327
   62   2HO*    A   6          2HO*        A   6  10.313  -0.881  -3.508
   63    H1*    A   6           H1*        A   6   8.907  -1.622  -4.691
   64    H8     A   6           H8         A   6   5.583  -0.682  -5.572
   65   1H6     A   6          1H6         A   6   5.880  -0.057 -10.362
   66   2H6     A   6          2H6         A   6   7.229   0.145 -11.455
   67    H2     A   6           H2         A   6  10.965  -0.011  -8.964
   68   1H5*    A   7          1H5*        A   7  12.567   3.479  -2.933
   69   2H5*    A   7          2H5*        A   7  10.864   3.532  -3.431
   70    H4*    A   7           H4*        A   7  12.978   1.856  -4.836
   71    H3*    A   7           H3*        A   7  12.034   4.706  -5.301
   72    H2*    A   7           H2*        A   7  11.988   4.314  -7.606
   73   2HO*    A   7          2HO*        A   7  13.407   2.066  -7.952
   74    H1*    A   7           H1*        A   7  11.709   1.455  -7.467
   75    H8     A   7           H8         A   7   8.634   2.713  -6.088
   76   1H6     A   7          1H6         A   7   6.048   3.340 -10.093
   77   2H6     A   7          2H6         A   7   6.485   3.549 -11.778
   78    H2     A   7           H2         A   7  10.968   3.326 -12.002
   79   1H5*    A   8          1H5*        A   8  13.714   3.961  -9.143
   80   2H5*    A   8          2H5*        A   8  15.227   4.891  -9.189
   81    H4*    A   8           H4*        A   8  14.057   6.101 -10.746
   82    H3*    A   8           H3*        A   8  13.728   7.208  -8.036
   83    H2*    A   8           H2*        A   8  11.527   7.863  -8.219
   84   2HO*    A   8          2HO*        A   8  11.779   8.870 -10.806
   85    H1*    A   8           H1*        A   8  11.074   7.103 -11.027
   86    H8     A   8           H8         A   8  10.491   6.033  -7.346
   87   1H6     A   8          1H6         A   8   5.760   5.074  -7.742
   88   2H6     A   8          2H6         A   8   4.646   5.120  -9.090
   89    H2     A   8           H2         A   8   7.022   6.348 -12.703
   90   1H5*    U   9          1H5*        U   9  14.098  12.728 -10.389
   91   2H5*    U   9          2H5*        U   9  13.107  11.958  -9.141
   92    H4*    U   9           H4*        U   9  12.516  12.262 -12.104
   93    H3*    U   9           H3*        U   9  11.489  13.442  -9.581
   94    H2*    U   9           H2*        U   9   9.332  12.626  -9.698
   95   2HO*    U   9          2HO*        U   9   8.448  13.567 -11.374
   96    H1*    U   9           H1*        U   9   9.503  10.570 -11.590
   97    H3     U   9           H3         U   9   7.217   8.598  -8.258
   98    H5     U   9           H5         U   9  10.809   9.787  -6.413
   99    H6     U   9           H6         U   9  11.450  10.803  -8.523
  100   1H5*    C  10          1H5*        C  10   9.450  17.146  -8.892
  101   2H5*    C  10          2H5*        C  10   9.432  15.745  -7.797
  102    H4*    C  10           H4*        C  10   8.009  16.075 -10.455
  103    H3*    C  10           H3*        C  10   7.166  15.465  -7.585
  104    H2*    C  10           H2*        C  10   5.338  14.248  -8.469
  105   2HO*    C  10          2HO*        C  10   6.009  15.307 -11.045
  106    H1*    C  10           H1*        C  10   6.710  12.997 -10.477
  107   1H4     C  10          1H4         C  10   7.352  10.185  -4.499
  108   2H4     C  10          2H4         C  10   5.786   9.664  -5.093
  109    H5     C  10           H5         C  10   8.771  11.742  -5.721
  110    H6     C  10           H6         C  10   8.927  13.176  -7.696
  111   1H5*    C  11          1H5*        C  11   3.301  14.104  -7.770
  112   2H5*    C  11          2H5*        C  11   2.641  15.493  -8.647
  113    H4*    C  11           H4*        C  11   2.717  15.981  -5.758
  114    H3*    C  11           H3*        C  11   1.990  13.298  -6.352
  115    H2*    C  11           H2*        C  11  -0.196  13.371  -7.025
  116   2HO*    C  11          2HO*        C  11  -1.626  14.872  -5.658
  117    H1*    C  11           H1*        C  11  -0.926  16.042  -7.094
  118   1H4     C  11          1H4         C  11  -0.066  13.377 -12.987
  119   2H4     C  11          2H4         C  11  -1.107  14.763 -13.221
  120    H5     C  11           H5         C  11   0.861  12.804 -10.827
  121    H6     C  11           H6         C  11   1.228  13.499  -8.562
  122   1H5*    C  12          1H5*        C  12   0.054  12.499  -2.735
  123   2H5*    C  12          2H5*        C  12  -0.342  12.833  -4.437
  124    H4*    C  12           H4*        C  12  -2.245  12.388  -2.114
  125    H3*    C  12           H3*        C  12  -1.312  10.869  -4.415
  126    H2*    C  12           H2*        C  12  -3.199  10.846  -5.727
  127   2HO*    C  12          2HO*        C  12  -5.327  10.789  -4.489
  128    H1*    C  12           H1*        C  12  -4.853  12.723  -4.442
  129   1H4     C  12          1H4         C  12  -2.678  14.870 -10.313
  130   2H4     C  12          2H4         C  12  -4.131  15.772  -9.947
  131    H5     C  12           H5         C  12  -1.706  13.269  -8.797
  132    H6     C  12           H6         C  12  -1.888  12.213  -6.607
  133   1H5*    G  13          1H5*        G  13  -4.961   8.798  -5.235
  134   2H5*    G  13          2H5*        G  13  -4.164   7.285  -5.717
  135    H4*    G  13           H4*        G  13  -4.853   9.051  -7.554
  136    H3*    G  13           H3*        G  13  -2.380   7.342  -7.349
  137    H2*    G  13           H2*        G  13  -1.292   8.490  -9.120
  138   2HO*    G  13          2HO*        G  13  -3.134  10.312  -9.862
  139    H1*    G  13           H1*        G  13  -1.815  10.990  -8.422
  140    H8     G  13           H8         G  13  -1.656   8.797  -5.355
  141    H1     G  13           H1         G  13   4.007  10.909  -7.259
  142   1H2     G  13          1H2         G  13   2.251  12.200  -9.980
  143   2H2     G  13          2H2         G  13   3.787  12.042  -9.164
  144   1H5*    A  14          1H5*        A  14  -1.871   8.891 -11.235
  145   2H5*    A  14          2H5*        A  14  -2.841   7.694 -12.111
  146    H4*    A  14           H4*        A  14  -0.995   7.827 -13.500
  147    H3*    A  14           H3*        A  14  -0.805   5.571 -11.599
  148    H2*    A  14           H2*        A  14   1.466   5.429 -11.421
  149   2HO*    A  14          2HO*        A  14   1.662   6.448 -14.081
  150    H1*    A  14           H1*        A  14   2.387   7.875 -12.324
  151    H8     A  14           H8         A  14   0.026   6.883  -9.404
  152   1H6     A  14          1H6         A  14   3.320   7.058  -5.875
  153   2H6     A  14          2H6         A  14   5.033   7.414  -5.864
  154    H2     A  14           H2         A  14   6.207   8.220 -10.135
  155   1H5*    A  15          1H5*        A  15   0.329   3.766 -12.076
  156   2H5*    A  15          2H5*        A  15   0.827   2.191 -12.663
  157    H4*    A  15           H4*        A  15  -1.459   1.373 -11.685
  158    H3*    A  15           H3*        A  15  -2.010   3.936 -11.096
  159    H2*    A  15           H2*        A  15   0.100   4.411  -9.990
  160   2HO*    A  15          2HO*        A  15  -0.748   3.715  -7.570
  161    H1*    A  15           H1*        A  15  -0.174   1.895  -8.363
  162    H8     A  15           H8         A  15   2.527   3.336 -10.806
  163   1H6     A  15          1H6         A  15   6.238   3.005  -7.714
  164   2H6     A  15          2H6         A  15   6.342   2.621  -6.010
  165    H2     A  15           H2         A  15   2.178   1.737  -4.609
  166   1H5*    G  16          1H5*        G  16  -5.186  -0.195  -9.541
  167   2H5*    G  16          2H5*        G  16  -5.341   0.146  -7.806
  168    H4*    G  16           H4*        G  16  -2.679   0.522  -9.177
  169    H3*    G  16           H3*        G  16  -4.077  -2.028  -8.983
  170    H2*    G  16           H2*        G  16  -3.318  -2.546  -6.834
  171   2HO*    G  16          2HO*        G  16  -1.485  -3.198  -8.640
  172    H1*    G  16           H1*        G  16  -1.016  -0.606  -7.103
  173    H8     G  16           H8         G  16  -4.078  -1.182  -4.780
  174    H1     G  16           H1         G  16   1.570  -1.163  -1.821
  175   1H2     G  16          1H2         G  16   2.893  -0.726  -5.017
  176   2H2     G  16          2H2         G  16   3.200  -0.888  -3.302
  177   1H5*    U  17          1H5*        U  17  -0.531  -3.427 -13.137
  178   2H5*    U  17          2H5*        U  17   0.173  -2.922 -11.587
  179    H4*    U  17           H4*        U  17   0.385  -1.563 -14.286
  180    H3*    U  17           H3*        U  17   2.273  -2.891 -12.343
  181    H2*    U  17           H2*        U  17   3.916  -1.207 -12.619
  182   2HO*    U  17          2HO*        U  17   2.630  -0.904 -15.063
  183    H1*    U  17           H1*        U  17   2.349   0.964 -12.654
  184    H3     U  17           H3         U  17   4.913   0.172  -8.908
  185    H5     U  17           H5         U  17   0.949  -0.816  -7.966
  186    H6     U  17           H6         U  17   0.425  -0.641 -10.326
  187   1H5*    A  18          1H5*        A  18   5.564  -0.737 -14.388
  188   2H5*    A  18          2H5*        A  18   5.991  -2.076 -15.471
  189    H4*    A  18           H4*        A  18   7.977  -1.465 -14.241
  190    H3*    A  18           H3*        A  18   6.627  -4.052 -13.442
  191    H2*    A  18           H2*        A  18   8.122  -4.373 -11.674
  192   2HO*    A  18          2HO*        A  18  10.160  -2.857 -11.850
  193    H1*    A  18           H1*        A  18   8.754  -1.670 -11.133
  194    H8     A  18           H8         A  18   5.074  -2.205 -10.918
  195   1H6     A  18          1H6         A  18   4.731  -3.711  -6.348
  196   2H6     A  18          2H6         A  18   5.917  -4.212  -5.163
  197    H2     A  18           H2         A  18   9.918  -4.003  -7.149
  198   1H5*    G  19          1H5*        G  19  10.242  -4.733 -13.367
  199   2H5*    G  19          2H5*        G  19  10.965  -6.267 -13.895
  200    H4*    G  19           H4*        G  19  11.210  -6.176 -11.503
  201    H3*    G  19           H3*        G  19   8.957  -7.981 -12.471
  202    H2*    G  19           H2*        G  19   8.528  -8.587 -10.232
  203   2HO*    G  19          2HO*        G  19  10.209  -8.913  -9.003
  204    H1*    G  19           H1*        G  19   8.977  -6.107  -9.094
  205    H8     G  19           H8         G  19   6.860  -6.074 -12.274
  206    H1     G  19           H1         G  19   3.558  -7.115  -6.923
  207   1H2     G  19          1H2         G  19   6.701  -7.365  -5.425
  208   2H2     G  19          2H2         G  19   4.964  -7.412  -5.223
  209   1H5*    G  20          1H5*        G  20   8.964 -12.335 -10.952
  210   2H5*    G  20          2H5*        G  20   7.502 -11.339 -10.819
  211    H4*    G  20           H4*        G  20   9.972 -11.198  -9.048
  212    H3*    G  20           H3*        G  20   7.216 -12.390  -8.767
  213    H2*    G  20           H2*        G  20   6.974 -11.506  -6.547
  214   2HO*    G  20          2HO*        G  20   9.768 -11.241  -6.763
  215    H1*    G  20           H1*        G  20   7.773  -9.042  -7.027
  216    H8     G  20           H8         G  20   6.456  -9.078 -10.263
  217    H1     G  20           H1         G  20   1.647 -10.081  -6.206
  218   1H2     G  20          1H2         G  20   4.140 -10.866  -3.904
  219   2H2     G  20          2H2         G  20   2.427 -10.714  -4.237
  220   1H5*    C  21          1H5*        C  21   8.224 -12.985  -3.478
  221   2H5*    C  21          2H5*        C  21   8.234 -14.631  -4.143
  222    H4*    C  21           H4*        C  21   6.013 -13.334  -3.133
  223    H3*    C  21           H3*        C  21   6.482 -15.718  -4.905
  224    H2*    C  21           H2*        C  21   4.471 -15.437  -5.998
  225   2HO*    C  21          2HO*        C  21   3.713 -15.620  -3.347
  226    H1*    C  21           H1*        C  21   3.723 -13.020  -4.416
  227   1H4     C  21          1H4         C  21   2.304 -11.620 -10.626
  228   2H4     C  21          2H4         C  21   0.768 -12.055  -9.910
  229    H5     C  21           H5         C  21   4.400 -11.845  -9.453
  230    H6     C  21           H6         C  21   5.493 -12.503  -7.418
  231   1H5*    C  22          1H5*        C  22   3.214 -17.502  -1.387
  232   2H5*    C  22          2H5*        C  22   3.462 -19.177  -1.924
  233    H4*    C  22           H4*        C  22   1.044 -18.305  -1.946
  234    H3*    C  22           H3*        C  22   2.429 -19.483  -4.376
  235    H2*    C  22           H2*        C  22   0.482 -19.228  -5.607
  236   2HO*    C  22          2HO*        C  22  -0.759 -20.361  -3.896
  237    H1*    C  22           H1*        C  22  -0.546 -17.004  -4.120
  238   1H4     C  22          1H4         C  22   2.231 -14.984  -9.776
  239   2H4     C  22          2H4         C  22   0.502 -14.936 -10.036
  240    H5     C  22           H5         C  22   3.237 -15.811  -7.755
  241    H6     C  22           H6         C  22   2.807 -16.776  -5.538
  242    H3T    C  22           H3T        C  22   1.911 -21.241  -3.327
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  -9.661 -11.018 -13.249
    2   2H5*    G   1          2H5*        G   1 -10.816 -12.366 -13.209
    3    H4*    G   1           H4*        G   1 -10.463 -12.629 -10.790
    4    H3*    G   1           H3*        G   1  -8.955 -10.052 -11.144
    5    H2*    G   1           H2*        G   1  -7.047 -10.847 -10.190
    6   2HO*    G   1          2HO*        G   1  -8.472 -10.870  -8.181
    7    H1*    G   1           H1*        G   1  -7.932 -13.648  -9.894
    8    H8     G   1           H8         G   1  -6.306 -11.923 -12.912
    9    H1     G   1           H1         G   1  -2.192 -15.072  -9.202
   10   1H2     G   1          1H2         G   1  -4.945 -15.590  -7.127
   11   2H2     G   1          2H2         G   1  -3.233 -15.829  -7.392
   12    H5T    G   1           H5T        G   1 -12.293 -11.079 -12.476
   13   1H5*    G   2          1H5*        G   2 -10.725 -12.155  -5.735
   14   2H5*    G   2          2H5*        G   2  -9.935 -10.703  -5.086
   15    H4*    G   2           H4*        G   2  -9.014 -13.320  -4.814
   16    H3*    G   2           H3*        G   2  -7.753 -10.577  -4.502
   17    H2*    G   2           H2*        G   2  -5.637 -11.523  -4.401
   18   2HO*    G   2          2HO*        G   2  -5.344 -13.074  -3.008
   19    H1*    G   2           H1*        G   2  -6.236 -13.980  -5.750
   20    H8     G   2           H8         G   2  -6.568 -10.992  -7.982
   21    H1     G   2           H1         G   2  -0.505 -12.836  -7.232
   22   1H2     G   2          1H2         G   2  -1.739 -14.805  -4.637
   23   2H2     G   2          2H2         G   2  -0.344 -14.266  -5.545
   24   1H5*    C   3          1H5*        C   3  -5.223 -11.383   0.075
   25   2H5*    C   3          2H5*        C   3  -4.980 -10.102  -1.130
   26    H4*    C   3           H4*        C   3  -3.530 -12.752  -0.875
   27    H3*    C   3           H3*        C   3  -2.842  -9.830  -0.663
   28    H2*    C   3           H2*        C   3  -1.078  -9.984  -2.142
   29   2HO*    C   3          2HO*        C   3   0.089 -12.233  -2.013
   30    H1*    C   3           H1*        C   3  -1.592 -12.718  -3.071
   31   1H4     C   3          1H4         C   3  -1.833  -8.580  -8.190
   32   2H4     C   3          2H4         C   3  -0.133  -8.972  -8.058
   33    H5     C   3           H5         C   3  -3.468  -9.243  -6.541
   34    H6     C   3           H6         C   3  -3.829 -10.418  -4.445
   35   1H5*    C   4          1H5*        C   4   1.640 -11.387  -0.410
   36   2H5*    C   4          2H5*        C   4   1.725 -10.854   1.284
   37    H4*    C   4           H4*        C   4   3.330  -9.467   0.405
   38    H3*    C   4           H3*        C   4   0.621  -8.169   0.116
   39    H2*    C   4           H2*        C   4   1.255  -6.714  -1.486
   40   2HO*    C   4          2HO*        C   4   3.915  -6.414  -0.786
   41    H1*    C   4           H1*        C   4   3.884  -7.858  -2.090
   42   1H4     C   4          1H4         C   4  -0.357  -7.327  -7.141
   43   2H4     C   4          2H4         C   4   1.256  -7.089  -7.781
   44    H5     C   4           H5         C   4  -0.785  -7.831  -4.781
   45    H6     C   4           H6         C   4   0.238  -8.245  -2.630
   46   1H5*    G   5          1H5*        G   5   5.682  -5.355   1.541
   47   2H5*    G   5          2H5*        G   5   4.034  -4.898   1.070
   48    H4*    G   5           H4*        G   5   6.518  -5.108  -0.620
   49    H3*    G   5           H3*        G   5   4.228  -3.142  -0.235
   50    H2*    G   5           H2*        G   5   4.554  -2.379  -2.445
   51   2HO*    G   5          2HO*        G   5   7.092  -3.676  -2.271
   52    H1*    G   5           H1*        G   5   5.165  -4.824  -3.603
   53    H8     G   5           H8         G   5   2.162  -4.747  -1.235
   54    H1     G   5           H1         G   5   0.739  -2.947  -7.176
   55   1H2     G   5          1H2         G   5   4.180  -3.062  -7.706
   56   2H2     G   5          2H2         G   5   2.595  -2.723  -8.364
   57   1H5*    A   6          1H5*        A   6   6.519   1.250  -1.498
   58   2H5*    A   6          2H5*        A   6   5.825   0.586  -2.989
   59    H4*    A   6           H4*        A   6   8.273  -0.575  -1.603
   60    H3*    A   6           H3*        A   6   7.992   1.592  -3.704
   61    H2*    A   6           H2*        A   6   9.839   0.678  -4.905
   62   2HO*    A   6          2HO*        A   6  10.288  -1.104  -2.719
   63    H1*    A   6           H1*        A   6   9.147  -1.936  -4.704
   64    H8     A   6           H8         A   6   5.796  -0.840  -5.262
   65   1H6     A   6          1H6         A   6   5.861   0.257  -9.950
   66   2H6     A   6          2H6         A   6   7.150   0.579 -11.087
   67    H2     A   6           H2         A   6  11.010   0.248  -8.810
   68   1H5*    A   7          1H5*        A   7  11.290   1.473  -2.976
   69   2H5*    A   7          2H5*        A   7  12.657   2.507  -2.509
   70    H4*    A   7           H4*        A   7  13.130   2.038  -4.757
   71    H3*    A   7           H3*        A   7  11.622   4.651  -4.486
   72    H2*    A   7           H2*        A   7  11.360   4.818  -6.788
   73   2HO*    A   7          2HO*        A   7  13.923   3.695  -6.735
   74    H1*    A   7           H1*        A   7  11.829   2.035  -7.431
   75    H8     A   7           H8         A   7   8.641   2.242  -5.687
   76   1H6     A   7          1H6         A   7   5.664   3.113  -9.380
   77   2H6     A   7          2H6         A   7   5.932   3.723 -10.999
   78    H2     A   7           H2         A   7  10.330   4.479 -11.431
   79   1H5*    A   8          1H5*        A   8  13.570   5.745  -8.453
   80   2H5*    A   8          2H5*        A   8  14.643   6.952  -7.710
   81    H4*    A   8           H4*        A   8  13.340   8.377  -8.973
   82    H3*    A   8           H3*        A   8  12.297   8.040  -6.235
   83    H2*    A   8           H2*        A   8  10.071   8.067  -6.742
   84   2HO*    A   8          2HO*        A   8   9.780  10.087  -8.431
   85    H1*    A   8           H1*        A   8  10.320   8.653  -9.633
   86    H8     A   8           H8         A   8   9.502   5.951  -6.981
   87   1H6     A   8          1H6         A   8   5.112   4.861  -8.779
   88   2H6     A   8          2H6         A   8   4.274   5.354 -10.233
   89    H2     A   8           H2         A   8   7.009   8.179 -12.412
   90   1H5*    U   9          1H5*        U   9  11.236  12.780  -6.127
   91   2H5*    U   9          2H5*        U   9  10.663  11.206  -6.714
   92    H4*    U   9           H4*        U   9  10.009  13.770  -8.190
   93    H3*    U   9           H3*        U   9   8.958  12.906  -5.560
   94    H2*    U   9           H2*        U   9   6.813  12.355  -6.200
   95   2HO*    U   9          2HO*        U   9   7.014  14.131  -8.417
   96    H1*    U   9           H1*        U   9   7.024  11.917  -8.938
   97    H3     U   9           H3         U   9   5.753   7.731  -8.172
   98    H5     U   9           H5         U   9   8.390   8.516  -4.977
   99    H6     U   9           H6         U   9   8.678  10.753  -5.894
  100   1H5*    C  10          1H5*        C  10   5.445  16.610  -4.679
  101   2H5*    C  10          2H5*        C  10   4.420  15.160  -4.618
  102    H4*    C  10           H4*        C  10   4.511  17.208  -6.644
  103    H3*    C  10           H3*        C  10   2.883  14.696  -6.106
  104    H2*    C  10           H2*        C  10   2.087  14.721  -8.344
  105   2HO*    C  10          2HO*        C  10   1.853  16.583  -9.336
  106    H1*    C  10           H1*        C  10   4.456  15.006  -9.520
  107   1H4     C  10          1H4         C  10   3.519   9.156  -6.504
  108   2H4     C  10          2H4         C  10   2.728   9.018  -8.062
  109    H5     C  10           H5         C  10   4.652  11.179  -5.778
  110    H6     C  10           H6         C  10   5.072  13.530  -6.319
  111   1H5*    C  11          1H5*        C  11   0.271  14.002  -7.373
  112   2H5*    C  11          2H5*        C  11  -0.142  14.690  -8.958
  113    H4*    C  11           H4*        C  11  -2.013  14.188  -6.611
  114    H3*    C  11           H3*        C  11  -1.274  12.623  -8.896
  115    H2*    C  11           H2*        C  11  -2.845  13.115 -10.494
  116   2HO*    C  11          2HO*        C  11  -4.944  12.881 -10.076
  117    H1*    C  11           H1*        C  11  -4.201  15.336  -9.554
  118   1H4     C  11          1H4         C  11   0.134  16.932 -14.142
  119   2H4     C  11          2H4         C  11  -0.895  18.333 -13.949
  120    H5     C  11           H5         C  11  -0.069  14.973 -12.747
  121    H6     C  11           H6         C  11  -1.053  14.013 -10.787
  122   1H5*    C  12          1H5*        C  12  -4.249   9.749  -8.220
  123   2H5*    C  12          2H5*        C  12  -3.962  11.097  -9.343
  124    H4*    C  12           H4*        C  12  -6.446   9.357  -9.123
  125    H3*    C  12           H3*        C  12  -4.093   9.428 -10.818
  126    H2*    C  12           H2*        C  12  -4.962  10.233 -12.793
  127   2HO*    C  12          2HO*        C  12  -6.936   8.384 -12.103
  128    H1*    C  12           H1*        C  12  -7.533  11.086 -12.031
  129   1H4     C  12          1H4         C  12  -3.466  16.125 -13.398
  130   2H4     C  12          2H4         C  12  -5.099  16.714 -13.620
  131    H5     C  12           H5         C  12  -2.961  13.904 -12.596
  132    H6     C  12           H6         C  12  -3.896  11.792 -11.831
  133   1H5*    G  13          1H5*        G  13  -5.801   8.172 -14.598
  134   2H5*    G  13          2H5*        G  13  -4.317   7.286 -15.005
  135    H4*    G  13           H4*        G  13  -4.671   9.755 -15.885
  136    H3*    G  13           H3*        G  13  -2.180   8.420 -14.807
  137    H2*    G  13           H2*        G  13  -0.947  10.453 -14.967
  138   2HO*    G  13          2HO*        G  13  -1.694  11.295 -16.907
  139    H1*    G  13           H1*        G  13  -2.708  11.999 -13.703
  140    H8     G  13           H8         G  13  -3.181   8.449 -12.565
  141    H1     G  13           H1         G  13   1.605  11.349  -9.618
  142   1H2     G  13          1H2         G  13   0.935  13.975 -11.813
  143   2H2     G  13          2H2         G  13   1.893  13.386 -10.476
  144   1H5*    A  14          1H5*        A  14  -1.218   5.688 -16.416
  145   2H5*    A  14          2H5*        A  14  -1.596   6.335 -14.813
  146    H4*    A  14           H4*        A  14   0.583   4.670 -15.578
  147    H3*    A  14           H3*        A  14  -0.584   5.724 -13.085
  148    H2*    A  14           H2*        A  14   1.298   6.497 -12.065
  149   2HO*    A  14          2HO*        A  14   3.240   5.133 -12.173
  150    H1*    A  14           H1*        A  14   3.286   6.218 -14.091
  151    H8     A  14           H8         A  14   1.031   8.913 -15.070
  152   1H6     A  14          1H6         A  14   3.253  12.592 -12.888
  153   2H6     A  14          2H6         A  14   4.390  12.691 -11.563
  154    H2     A  14           H2         A  14   5.239   8.469 -10.259
  155   1H5*    A  15          1H5*        A  15   0.255   2.147 -11.976
  156   2H5*    A  15          2H5*        A  15  -0.349   0.526 -12.393
  157    H4*    A  15           H4*        A  15  -2.147   0.706 -10.877
  158    H3*    A  15           H3*        A  15  -2.372   3.343 -11.449
  159    H2*    A  15           H2*        A  15  -0.253   4.006 -10.527
  160   2HO*    A  15          2HO*        A  15  -1.434   5.423  -9.411
  161    H1*    A  15           H1*        A  15  -0.767   2.372  -8.052
  162    H8     A  15           H8         A  15   1.859   3.464 -10.706
  163   1H6     A  15          1H6         A  15   5.763   2.988  -7.882
  164   2H6     A  15          2H6         A  15   5.986   2.458  -6.230
  165    H2     A  15           H2         A  15   1.944   1.343  -4.655
  166   1H5*    G  16          1H5*        G  16  -5.503  -0.089  -7.847
  167   2H5*    G  16          2H5*        G  16  -4.962   1.583  -7.587
  168    H4*    G  16           H4*        G  16  -2.694   0.764  -8.575
  169    H3*    G  16           H3*        G  16  -4.170  -1.707  -8.717
  170    H2*    G  16           H2*        G  16  -3.768  -2.319  -6.467
  171   2HO*    G  16          2HO*        G  16  -2.055  -3.663  -6.451
  172    H1*    G  16           H1*        G  16  -1.201  -0.708  -6.553
  173    H8     G  16           H8         G  16  -4.332  -1.249  -4.313
  174    H1     G  16           H1         G  16   1.263  -1.480  -1.265
  175   1H2     G  16          1H2         G  16   2.648  -0.900  -4.412
  176   2H2     G  16          2H2         G  16   2.924  -1.155  -2.703
  177   1H5*    U  17          1H5*        U  17  -0.932  -3.464 -12.394
  178   2H5*    U  17          2H5*        U  17   0.623  -4.003 -11.732
  179    H4*    U  17           H4*        U  17   0.259  -2.019 -13.652
  180    H3*    U  17           H3*        U  17   2.522  -2.926 -11.877
  181    H2*    U  17           H2*        U  17   3.771  -0.953 -12.273
  182   2HO*    U  17          2HO*        U  17   2.125  -0.808 -14.546
  183    H1*    U  17           H1*        U  17   1.772   0.860 -12.124
  184    H3     U  17           H3         U  17   4.764   0.077  -8.508
  185    H5     U  17           H5         U  17   0.805  -0.714  -7.379
  186    H6     U  17           H6         U  17   0.209  -0.610  -9.723
  187   1H5*    A  18          1H5*        A  18   5.915  -1.007 -14.969
  188   2H5*    A  18          2H5*        A  18   6.200  -2.727 -15.308
  189    H4*    A  18           H4*        A  18   8.073  -1.411 -14.095
  190    H3*    A  18           H3*        A  18   6.910  -4.069 -13.184
  191    H2*    A  18           H2*        A  18   8.359  -4.058 -11.337
  192   2HO*    A  18          2HO*        A  18   9.938  -2.246 -12.882
  193    H1*    A  18           H1*        A  18   8.553  -1.248 -11.030
  194    H8     A  18           H8         A  18   4.968  -1.968 -10.738
  195   1H6     A  18          1H6         A  18   4.739  -3.627  -6.208
  196   2H6     A  18          2H6         A  18   5.956  -4.137  -5.058
  197    H2     A  18           H2         A  18   9.930  -3.782  -7.117
  198   1H5*    G  19          1H5*        G  19  10.440  -4.515 -12.909
  199   2H5*    G  19          2H5*        G  19  11.384  -5.879 -13.539
  200    H4*    G  19           H4*        G  19  11.689  -6.076 -11.226
  201    H3*    G  19           H3*        G  19   9.338  -7.805 -12.099
  202    H2*    G  19           H2*        G  19   9.104  -8.522  -9.857
  203   2HO*    G  19          2HO*        G  19  11.543  -7.195  -9.195
  204    H1*    G  19           H1*        G  19   9.529  -6.084  -8.664
  205    H8     G  19           H8         G  19   7.411  -5.954 -11.847
  206    H1     G  19           H1         G  19   4.091  -7.145  -6.549
  207   1H2     G  19          1H2         G  19   7.207  -7.408  -5.018
  208   2H2     G  19          2H2         G  19   5.468  -7.490  -4.846
  209   1H5*    G  20          1H5*        G  20  11.511  -9.541  -9.028
  210   2H5*    G  20          2H5*        G  20  11.770 -11.274  -9.314
  211    H4*    G  20           H4*        G  20  10.599 -10.830  -7.155
  212    H3*    G  20           H3*        G  20   9.296 -12.401  -9.385
  213    H2*    G  20           H2*        G  20   7.246 -12.313  -8.382
  214   2HO*    G  20          2HO*        G  20   6.991 -12.844  -6.239
  215    H1*    G  20           H1*        G  20   7.961 -10.360  -6.303
  216    H8     G  20           H8         G  20   7.041  -9.081  -9.719
  217    H1     G  20           H1         G  20   1.968 -10.327  -6.045
  218   1H2     G  20          1H2         G  20   4.274 -11.845  -3.926
  219   2H2     G  20          2H2         G  20   2.602 -11.440  -4.237
  220   1H5*    C  21          1H5*        C  21   8.867 -15.553  -5.181
  221   2H5*    C  21          2H5*        C  21   8.293 -16.788  -6.316
  222    H4*    C  21           H4*        C  21   6.807 -15.648  -4.259
  223    H3*    C  21           H3*        C  21   6.207 -17.323  -6.680
  224    H2*    C  21           H2*        C  21   4.094 -16.449  -6.926
  225   2HO*    C  21          2HO*        C  21   3.713 -17.812  -4.942
  226    H1*    C  21           H1*        C  21   4.319 -14.543  -4.654
  227   1H4     C  21          1H4         C  21   2.097 -11.096  -9.724
  228   2H4     C  21          2H4         C  21   0.639 -11.623  -8.913
  229    H5     C  21           H5         C  21   4.307 -11.866  -9.082
  230    H6     C  21           H6         C  21   5.565 -13.307  -7.604
  231   1H5*    C  22          1H5*        C  22   2.837 -20.967  -4.369
  232   2H5*    C  22          2H5*        C  22   2.723 -20.045  -5.882
  233    H4*    C  22           H4*        C  22   1.093 -19.762  -3.352
  234    H3*    C  22           H3*        C  22   0.591 -20.174  -6.304
  235    H2*    C  22           H2*        C  22  -1.409 -18.970  -6.202
  236   2HO*    C  22          2HO*        C  22  -1.588 -20.039  -3.792
  237    H1*    C  22           H1*        C  22  -0.587 -17.007  -4.448
  238   1H4     C  22          1H4         C  22   1.519 -15.155 -10.409
  239   2H4     C  22          2H4         C  22  -0.190 -14.781 -10.431
  240    H5     C  22           H5         C  22   2.581 -16.374  -8.626
  241    H6     C  22           H6         C  22   2.238 -17.473  -6.459
  242    H3T    C  22           H3T        C  22  -0.735 -21.745  -5.501
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1 -10.200 -14.255 -11.596
    2   2H5*    G   1          2H5*        G   1 -11.719 -13.738 -10.840
    3    H4*    G   1           H4*        G   1 -10.801 -14.236  -8.844
    4    H3*    G   1           H3*        G   1  -9.170 -11.826  -9.669
    5    H2*    G   1           H2*        G   1  -7.553 -12.253  -8.044
    6   2HO*    G   1          2HO*        G   1  -8.446 -14.106  -6.429
    7    H1*    G   1           H1*        G   1  -7.700 -15.041  -7.952
    8    H8     G   1           H8         G   1  -7.254 -12.737 -11.032
    9    H1     G   1           H1         G   1  -1.893 -15.421  -8.869
   10   1H2     G   1          1H2         G   1  -3.947 -16.760  -6.388
   11   2H2     G   1          2H2         G   1  -2.341 -16.630  -7.061
   12    H5T    G   1           H5T        G   1 -10.376 -12.239 -12.282
   13   1H5*    G   2          1H5*        G   2  -8.850 -10.209  -4.935
   14   2H5*    G   2          2H5*        G   2  -7.384  -9.598  -5.727
   15    H4*    G   2           H4*        G   2  -7.873 -12.202  -4.364
   16    H3*    G   2           H3*        G   2  -5.511 -10.356  -4.897
   17    H2*    G   2           H2*        G   2  -4.090 -12.169  -4.359
   18   2HO*    G   2          2HO*        G   2  -4.640 -13.405  -2.742
   19    H1*    G   2           H1*        G   2  -5.602 -14.138  -5.552
   20    H8     G   2           H8         G   2  -5.433 -11.765  -8.215
   21    H1     G   2           H1         G   2   0.487 -13.559  -6.692
   22   1H2     G   2          1H2         G   2  -0.988 -14.819  -3.796
   23   2H2     G   2          2H2         G   2   0.479 -14.571  -4.716
   24   1H5*    C   3          1H5*        C   3  -4.750 -11.417   0.429
   25   2H5*    C   3          2H5*        C   3  -4.873 -10.451  -1.056
   26    H4*    C   3           H4*        C   3  -3.005 -12.821  -0.628
   27    H3*    C   3           H3*        C   3  -2.658  -9.827  -0.421
   28    H2*    C   3           H2*        C   3  -0.855  -9.829  -1.873
   29   2HO*    C   3          2HO*        C   3  -0.232 -12.128  -0.379
   30    H1*    C   3           H1*        C   3  -1.170 -12.578  -2.828
   31   1H4     C   3          1H4         C   3  -1.811  -8.576  -7.995
   32   2H4     C   3          2H4         C   3  -0.130  -9.059  -8.007
   33    H5     C   3           H5         C   3  -3.325  -9.113  -6.193
   34    H6     C   3           H6         C   3  -3.535 -10.165  -4.004
   35   1H5*    C   4          1H5*        C   4   1.789 -11.245  -0.386
   36   2H5*    C   4          2H5*        C   4   2.020 -10.830   1.325
   37    H4*    C   4           H4*        C   4   3.635  -9.430   0.569
   38    H3*    C   4           H3*        C   4   1.057  -7.979  -0.087
   39    H2*    C   4           H2*        C   4   2.225  -6.389  -1.332
   40   2HO*    C   4          2HO*        C   4   4.529  -6.108  -1.027
   41    H1*    C   4           H1*        C   4   4.330  -7.966  -2.243
   42   1H4     C   4          1H4         C   4  -0.546  -7.436  -6.684
   43   2H4     C   4          2H4         C   4   0.981  -7.232  -7.520
   44    H5     C   4           H5         C   4  -0.699  -7.856  -4.296
   45    H6     C   4           H6         C   4   0.588  -8.181  -2.229
   46   1H5*    G   5          1H5*        G   5   3.233  -3.535   0.979
   47   2H5*    G   5          2H5*        G   5   2.017  -3.236  -0.274
   48    H4*    G   5           H4*        G   5   4.864  -4.116  -0.531
   49    H3*    G   5           H3*        G   5   2.964  -2.212  -1.887
   50    H2*    G   5           H2*        G   5   3.904  -2.606  -4.012
   51   2HO*    G   5          2HO*        G   5   5.873  -4.278  -3.756
   52    H1*    G   5           H1*        G   5   4.074  -5.233  -3.988
   53    H8     G   5           H8         G   5   1.146  -4.619  -1.803
   54    H1     G   5           H1         G   5  -0.276  -3.180  -7.834
   55   1H2     G   5          1H2         G   5   3.160  -3.348  -8.364
   56   2H2     G   5          2H2         G   5   1.577  -3.028  -9.035
   57   1H5*    A   6          1H5*        A   6   5.266   1.648  -2.756
   58   2H5*    A   6          2H5*        A   6   4.367   0.132  -2.976
   59    H4*    A   6           H4*        A   6   6.894  -0.512  -1.771
   60    H3*    A   6           H3*        A   6   7.010   1.428  -4.107
   61    H2*    A   6           H2*        A   6   8.939   0.218  -4.883
   62   2HO*    A   6          2HO*        A   6   8.864  -1.583  -2.719
   63    H1*    A   6           H1*        A   6   7.841  -2.236  -4.562
   64    H8     A   6           H8         A   6   4.829  -0.836  -5.838
   65   1H6     A   6          1H6         A   6   5.974   0.273 -10.399
   66   2H6     A   6          2H6         A   6   7.499   0.435 -11.241
   67    H2     A   6           H2         A   6  10.737  -0.428  -8.246
   68   1H5*    A   7          1H5*        A   7  12.072   2.094  -1.835
   69   2H5*    A   7          2H5*        A   7  10.594   2.716  -2.597
   70    H4*    A   7           H4*        A   7  12.709   0.946  -3.889
   71    H3*    A   7           H3*        A   7  11.983   3.875  -4.061
   72    H2*    A   7           H2*        A   7  12.027   3.859  -6.392
   73   2HO*    A   7          2HO*        A   7  13.870   1.691  -6.142
   74    H1*    A   7           H1*        A   7  11.645   1.059  -6.824
   75    H8     A   7           H8         A   7   8.602   2.272  -5.249
   76   1H6     A   7          1H6         A   7   6.099   3.519  -9.194
   77   2H6     A   7          2H6         A   7   6.594   3.929 -10.823
   78    H2     A   7           H2         A   7  11.065   3.550 -10.985
   79   1H5*    A   8          1H5*        A   8  14.090   3.674  -7.781
   80   2H5*    A   8          2H5*        A   8  15.464   4.763  -7.497
   81    H4*    A   8           H4*        A   8  14.226   5.870  -9.154
   82    H3*    A   8           H3*        A   8  14.086   6.922  -6.441
   83    H2*    A   8           H2*        A   8  11.878   7.352  -6.321
   84   2HO*    A   8          2HO*        A   8  12.717   9.336  -7.428
   85    H1*    A   8           H1*        A   8  11.167   6.948  -9.160
   86    H8     A   8           H8         A   8  10.935   5.533  -5.561
   87   1H6     A   8          1H6         A   8   6.159   4.751  -5.522
   88   2H6     A   8          2H6         A   8   4.912   4.937  -6.734
   89    H2     A   8           H2         A   8   6.942   6.371 -10.478
   90   1H5*    U   9          1H5*        U   9  12.011   8.497 -11.655
   91   2H5*    U   9          2H5*        U   9  13.195   9.788 -11.836
   92    H4*    U   9           H4*        U   9  11.164  10.940 -12.236
   93    H3*    U   9           H3*        U   9  12.352  11.290  -9.630
   94    H2*    U   9           H2*        U   9  10.419  11.599  -8.409
   95   2HO*    U   9          2HO*        U   9  10.373  13.583 -10.183
   96    H1*    U   9           H1*        U   9   8.453  11.198 -10.526
   97    H3     U   9           H3         U   9   6.043   9.522  -7.145
   98    H5     U   9           H5         U   9   9.929   8.063  -6.451
   99    H6     U   9           H6         U   9  10.634   9.163  -8.480
  100   1H5*    C  10          1H5*        C  10  13.317  11.039 -13.556
  101   2H5*    C  10          2H5*        C  10  14.275  12.259 -14.419
  102    H4*    C  10           H4*        C  10  12.923  12.154 -16.228
  103    H3*    C  10           H3*        C  10  10.706  12.411 -14.171
  104    H2*    C  10           H2*        C  10   9.156  11.520 -15.689
  105   2HO*    C  10          2HO*        C  10  10.283  12.993 -17.399
  106    H1*    C  10           H1*        C  10  10.820   9.705 -16.979
  107   1H4     C  10          1H4         C  10   8.036   6.993 -11.633
  108   2H4     C  10          2H4         C  10   6.857   6.768 -12.904
  109    H5     C  10           H5         C  10  10.007   8.302 -11.897
  110    H6     C  10           H6         C  10  11.424   9.534 -13.466
  111   1H5*    C  11          1H5*        C  11   8.727  15.397 -18.180
  112   2H5*    C  11          2H5*        C  11   9.300  16.631 -17.044
  113    H4*    C  11           H4*        C  11   7.207  17.476 -17.180
  114    H3*    C  11           H3*        C  11   7.200  15.525 -15.081
  115    H2*    C  11           H2*        C  11   5.330  14.237 -15.484
  116   2HO*    C  11          2HO*        C  11   4.199  16.645 -16.509
  117    H1*    C  11           H1*        C  11   4.684  14.618 -18.102
  118   1H4     C  11          1H4         C  11   8.749   9.524 -17.890
  119   2H4     C  11          2H4         C  11   9.356  10.306 -19.333
  120    H5     C  11           H5         C  11   7.162  10.588 -16.388
  121    H6     C  11           H6         C  11   5.711  12.476 -16.062
  122   1H5*    C  12          1H5*        C  12   3.912  15.263 -14.219
  123   2H5*    C  12          2H5*        C  12   2.396  16.128 -14.402
  124    H4*    C  12           H4*        C  12   1.713  15.479 -12.412
  125    H3*    C  12           H3*        C  12   3.999  17.082 -11.682
  126    H2*    C  12           H2*        C  12   5.043  15.765 -10.179
  127   2HO*    C  12          2HO*        C  12   3.139  16.336  -8.804
  128    H1*    C  12           H1*        C  12   3.596  13.335 -10.233
  129   1H4     C  12          1H4         C  12   9.603  13.170 -13.036
  130   2H4     C  12          2H4         C  12   9.928  12.847 -11.347
  131    H5     C  12           H5         C  12   7.387  13.755 -13.871
  132    H6     C  12           H6         C  12   5.081  13.966 -13.289
  133   1H5*    G  13          1H5*        G  13  -0.931  13.827 -11.226
  134   2H5*    G  13          2H5*        G  13   0.769  13.365 -11.030
  135    H4*    G  13           H4*        G  13  -0.703  13.828 -13.662
  136    H3*    G  13           H3*        G  13   0.286  11.380 -12.169
  137    H2*    G  13           H2*        G  13   0.802  10.338 -14.249
  138   2HO*    G  13          2HO*        G  13   0.223  11.695 -16.233
  139    H1*    G  13           H1*        G  13   2.002  12.471 -15.414
  140    H8     G  13           H8         G  13   2.535  12.272 -11.695
  141    H1     G  13           H1         G  13   6.538   8.518 -14.874
  142   1H2     G  13          1H2         G  13   4.801   9.521 -17.706
  143   2H2     G  13          2H2         G  13   6.152   8.623 -17.033
  144   1H5*    A  14          1H5*        A  14  -0.997   8.842 -15.440
  145   2H5*    A  14          2H5*        A  14  -1.345   7.485 -14.355
  146    H4*    A  14           H4*        A  14   0.910   7.662 -15.841
  147    H3*    A  14           H3*        A  14   0.110   6.171 -13.431
  148    H2*    A  14           H2*        A  14   2.092   6.205 -12.272
  149   2HO*    A  14          2HO*        A  14   3.342   6.082 -14.837
  150    H1*    A  14           H1*        A  14   3.612   8.163 -13.597
  151    H8     A  14           H8         A  14   0.351   9.215 -11.937
  152   1H6     A  14          1H6         A  14   2.120  10.490  -7.624
  153   2H6     A  14          2H6         A  14   3.708  10.365  -6.899
  154    H2     A  14           H2         A  14   6.368   8.364  -9.925
  155   1H5*    A  15          1H5*        A  15   0.936   3.442 -12.608
  156   2H5*    A  15          2H5*        A  15  -0.020   2.192 -13.441
  157    H4*    A  15           H4*        A  15  -1.836   2.425 -11.957
  158    H3*    A  15           H3*        A  15  -1.491   5.117 -11.997
  159    H2*    A  15           H2*        A  15   0.583   5.163 -10.792
  160   2HO*    A  15          2HO*        A  15  -1.507   6.069  -9.539
  161    H1*    A  15           H1*        A  15  -0.469   3.207  -8.760
  162    H8     A  15           H8         A  15   2.531   3.907 -11.147
  163   1H6     A  15          1H6         A  15   6.031   2.906  -7.981
  164   2H6     A  15          2H6         A  15   6.024   2.388  -6.310
  165    H2     A  15           H2         A  15   1.725   1.982  -5.093
  166   1H5*    G  16          1H5*        G  16  -5.626   2.065  -9.115
  167   2H5*    G  16          2H5*        G  16  -4.509   3.376  -8.681
  168    H4*    G  16           H4*        G  16  -2.717   1.935  -9.908
  169    H3*    G  16           H3*        G  16  -5.018   0.189 -10.175
  170    H2*    G  16           H2*        G  16  -4.682  -0.929  -8.140
  171   2HO*    G  16          2HO*        G  16  -2.960  -1.904 -10.051
  172    H1*    G  16           H1*        G  16  -1.754  -0.161  -8.169
  173    H8     G  16           H8         G  16  -4.962  -0.410  -6.034
  174    H1     G  16           H1         G  16   0.459  -1.435  -2.835
  175   1H2     G  16          1H2         G  16   2.015  -0.708  -5.869
  176   2H2     G  16          2H2         G  16   2.196  -1.131  -4.182
  177   1H5*    U  17          1H5*        U  17  -0.903  -2.642 -13.059
  178   2H5*    U  17          2H5*        U  17  -0.834  -1.491 -11.709
  179    H4*    U  17           H4*        U  17  -0.295  -0.601 -14.553
  180    H3*    U  17           H3*        U  17   1.497  -2.180 -12.711
  181    H2*    U  17           H2*        U  17   3.313  -0.692 -13.025
  182   2HO*    U  17          2HO*        U  17   2.550  -0.548 -15.432
  183    H1*    U  17           H1*        U  17   1.992   1.650 -12.888
  184    H3     U  17           H3         U  17   4.501   0.194  -9.206
  185    H5     U  17           H5         U  17   0.420  -0.149  -8.273
  186    H6     U  17           H6         U  17  -0.072   0.255 -10.616
  187   1H5*    A  18          1H5*        A  18   4.714  -0.701 -14.998
  188   2H5*    A  18          2H5*        A  18   5.060  -2.144 -15.971
  189    H4*    A  18           H4*        A  18   7.108  -1.435 -14.878
  190    H3*    A  18           H3*        A  18   5.795  -3.959 -13.827
  191    H2*    A  18           H2*        A  18   7.534  -4.210 -12.243
  192   2HO*    A  18          2HO*        A  18   9.145  -3.635 -13.986
  193    H1*    A  18           H1*        A  18   7.892  -1.533 -11.627
  194    H8     A  18           H8         A  18   4.220  -2.121 -11.652
  195   1H6     A  18          1H6         A  18   3.619  -3.759  -7.168
  196   2H6     A  18          2H6         A  18   4.725  -4.326  -5.939
  197    H2     A  18           H2         A  18   8.828  -4.106  -7.676
  198   1H5*    G  19          1H5*        G  19  11.072  -6.054 -14.021
  199   2H5*    G  19          2H5*        G  19   9.661  -7.130 -14.068
  200    H4*    G  19           H4*        G  19  11.109  -6.024 -11.752
  201    H3*    G  19           H3*        G  19   9.214  -8.342 -12.319
  202    H2*    G  19           H2*        G  19   8.779  -8.507 -10.027
  203   2HO*    G  19          2HO*        G  19  10.237  -7.295  -8.525
  204    H1*    G  19           H1*        G  19   9.009  -5.790  -9.397
  205    H8     G  19           H8         G  19   6.653  -6.220 -12.273
  206    H1     G  19           H1         G  19   3.947  -7.287  -6.616
  207   1H2     G  19          1H2         G  19   7.212  -7.362  -5.412
  208   2H2     G  19          2H2         G  19   5.504  -7.480  -5.050
  209   1H5*    G  20          1H5*        G  20  11.109  -9.127  -9.099
  210   2H5*    G  20          2H5*        G  20  11.941 -10.690  -8.981
  211    H4*    G  20           H4*        G  20  10.470 -10.658  -7.119
  212    H3*    G  20           H3*        G  20   9.518 -12.261  -9.476
  213    H2*    G  20           H2*        G  20   7.340 -12.210  -8.810
  214   2HO*    G  20          2HO*        G  20   6.952 -12.640  -6.443
  215    H1*    G  20           H1*        G  20   7.832 -10.522  -6.405
  216    H8     G  20           H8         G  20   6.827  -9.227  -9.845
  217    H1     G  20           H1         G  20   1.926 -10.428  -5.926
  218   1H2     G  20          1H2         G  20   4.342 -11.814  -3.849
  219   2H2     G  20          2H2         G  20   2.654 -11.430  -4.097
  220   1H5*    C  21          1H5*        C  21   9.137 -16.032  -6.617
  221   2H5*    C  21          2H5*        C  21   8.456 -14.511  -7.226
  222    H4*    C  21           H4*        C  21   7.605 -15.534  -4.516
  223    H3*    C  21           H3*        C  21   6.932 -16.729  -7.197
  224    H2*    C  21           H2*        C  21   4.657 -16.517  -6.900
  225   2HO*    C  21          2HO*        C  21   5.363 -17.376  -4.391
  226    H1*    C  21           H1*        C  21   4.622 -14.539  -4.836
  227   1H4     C  21          1H4         C  21   2.772 -11.865 -10.508
  228   2H4     C  21          2H4         C  21   1.294 -12.110  -9.603
  229    H5     C  21           H5         C  21   4.931 -12.590  -9.698
  230    H6     C  21           H6         C  21   6.130 -13.767  -7.972
  231   1H5*    C  22          1H5*        C  22   4.372 -21.094  -5.614
  232   2H5*    C  22          2H5*        C  22   3.770 -19.891  -6.771
  233    H4*    C  22           H4*        C  22   2.740 -20.545  -4.002
  234    H3*    C  22           H3*        C  22   1.667 -20.467  -6.824
  235    H2*    C  22           H2*        C  22  -0.450 -19.773  -6.085
  236   2HO*    C  22          2HO*        C  22   0.372 -20.984  -3.735
  237    H1*    C  22           H1*        C  22   0.378 -17.938  -4.254
  238   1H4     C  22          1H4         C  22   1.238 -15.125 -10.160
  239   2H4     C  22          2H4         C  22  -0.484 -15.003  -9.871
  240    H5     C  22           H5         C  22   2.737 -16.327  -8.705
  241    H6     C  22           H6         C  22   2.900 -17.693  -6.674
  242    H3T    C  22           H3T        C  22   0.432 -22.252  -5.675
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  -8.214 -17.752 -12.549
    2   2H5*    G   1          2H5*        G   1  -9.388 -19.066 -12.336
    3    H4*    G   1           H4*        G   1  -9.738 -18.521 -10.041
    4    H3*    G   1           H3*        G   1  -8.544 -15.856 -10.822
    5    H2*    G   1           H2*        G   1  -7.442 -15.649  -8.778
    6   2HO*    G   1          2HO*        G   1  -8.413 -17.722  -7.333
    7    H1*    G   1           H1*        G   1  -6.823 -18.290  -8.294
    8    H8     G   1           H8         G   1  -6.330 -16.270 -11.554
    9    H1     G   1           H1         G   1  -1.088 -16.980  -7.993
   10   1H2     G   1          1H2         G   1  -3.198 -18.669  -5.791
   11   2H2     G   1          2H2         G   1  -1.587 -18.076  -6.129
   12    H5T    G   1           H5T        G   1  -9.795 -16.321 -12.677
   13   1H5*    G   2          1H5*        G   2  -9.228 -13.254  -6.490
   14   2H5*    G   2          2H5*        G   2  -8.129 -13.870  -7.737
   15    H4*    G   2           H4*        G   2  -8.587 -15.456  -5.206
   16    H3*    G   2           H3*        G   2  -7.006 -12.899  -5.517
   17    H2*    G   2           H2*        G   2  -5.153 -13.825  -4.401
   18   2HO*    G   2          2HO*        G   2  -6.757 -16.017  -3.537
   19    H1*    G   2           H1*        G   2  -5.314 -16.411  -5.319
   20    H8     G   2           H8         G   2  -5.749 -14.389  -8.346
   21    H1     G   2           H1         G   2   0.274 -14.158  -6.272
   22   1H2     G   2          1H2         G   2  -0.995 -15.575  -3.357
   23   2H2     G   2          2H2         G   2   0.402 -14.962  -4.217
   24   1H5*    C   3          1H5*        C   3  -5.640 -13.148  -0.933
   25   2H5*    C   3          2H5*        C   3  -5.614 -11.376  -1.041
   26    H4*    C   3           H4*        C   3  -3.384 -13.038  -1.097
   27    H3*    C   3           H3*        C   3  -3.933 -10.165  -1.866
   28    H2*    C   3           H2*        C   3  -2.066 -10.073  -3.219
   29   2HO*    C   3          2HO*        C   3  -0.340 -11.836  -2.207
   30    H1*    C   3           H1*        C   3  -1.507 -12.953  -3.252
   31   1H4     C   3          1H4         C   3  -2.661 -10.759  -9.363
   32   2H4     C   3          2H4         C   3  -0.943 -10.514  -9.135
   33    H5     C   3           H5         C   3  -4.138 -11.477  -7.584
   34    H6     C   3           H6         C   3  -4.282 -12.055  -5.220
   35   1H5*    C   4          1H5*        C   4  -0.437 -10.499  -0.668
   36   2H5*    C   4          2H5*        C   4   0.546 -10.635   0.803
   37    H4*    C   4           H4*        C   4   1.875  -8.909   0.198
   38    H3*    C   4           H3*        C   4  -0.765  -7.558  -0.317
   39    H2*    C   4           H2*        C   4  -0.052  -6.396  -2.114
   40   2HO*    C   4          2HO*        C   4   2.563  -5.959  -1.626
   41    H1*    C   4           H1*        C   4   2.564  -7.670  -2.452
   42   1H4     C   4          1H4         C   4  -1.592  -7.653  -7.611
   43   2H4     C   4          2H4         C   4   0.014  -7.390  -8.251
   44    H5     C   4           H5         C   4  -2.037  -7.931  -5.241
   45    H6     C   4           H6         C   4  -1.050  -8.148  -3.048
   46   1H5*    G   5          1H5*        G   5   4.282  -6.888  -0.687
   47   2H5*    G   5          2H5*        G   5   5.082  -5.614   0.252
   48    H4*    G   5           H4*        G   5   5.348  -5.106  -2.103
   49    H3*    G   5           H3*        G   5   3.289  -3.361  -0.687
   50    H2*    G   5           H2*        G   5   3.052  -2.170  -2.690
   51   2HO*    G   5          2HO*        G   5   4.748  -1.661  -3.858
   52    H1*    G   5           H1*        G   5   3.730  -4.327  -4.436
   53    H8     G   5           H8         G   5   0.765  -4.392  -1.978
   54    H1     G   5           H1         G   5  -0.751  -2.349  -7.815
   55   1H2     G   5          1H2         G   5   2.670  -2.533  -8.440
   56   2H2     G   5          2H2         G   5   1.079  -2.136  -9.045
   57   1H5*    A   6          1H5*        A   6   6.572   0.716  -2.234
   58   2H5*    A   6          2H5*        A   6   5.465  -0.643  -2.518
   59    H4*    A   6           H4*        A   6   8.020  -1.803  -2.163
   60    H3*    A   6           H3*        A   6   8.132   0.761  -3.794
   61    H2*    A   6           H2*        A   6   9.637  -0.365  -5.275
   62   2HO*    A   6          2HO*        A   6  10.196  -1.788  -3.030
   63    H1*    A   6           H1*        A   6   8.276  -2.734  -5.363
   64    H8     A   6           H8         A   6   5.319  -0.853  -5.741
   65   1H6     A   6          1H6         A   6   5.822   1.039 -10.165
   66   2H6     A   6          2H6         A   6   7.204   1.265 -11.213
   67    H2     A   6           H2         A   6  10.783  -0.340  -9.018
   68   1H5*    A   7          1H5*        A   7  11.799  -0.024  -2.906
   69   2H5*    A   7          2H5*        A   7  13.051   1.179  -2.535
   70    H4*    A   7           H4*        A   7  13.395   0.178  -4.771
   71    H3*    A   7           H3*        A   7  12.734   3.110  -4.481
   72    H2*    A   7           H2*        A   7  12.494   3.384  -6.771
   73   2HO*    A   7          2HO*        A   7  14.465   1.334  -6.930
   74    H1*    A   7           H1*        A   7  12.122   0.606  -7.478
   75    H8     A   7           H8         A   7   9.169   1.666  -5.627
   76   1H6     A   7          1H6         A   7   6.483   3.371  -9.219
   77   2H6     A   7          2H6         A   7   6.854   3.931 -10.836
   78    H2     A   7           H2         A   7  11.277   3.466 -11.391
   79   1H5*    A   8          1H5*        A   8  14.748   3.608  -8.404
   80   2H5*    A   8          2H5*        A   8  16.208   4.371  -7.736
   81    H4*    A   8           H4*        A   8  15.438   6.189  -8.895
   82    H3*    A   8           H3*        A   8  14.328   6.126  -6.163
   83    H2*    A   8           H2*        A   8  12.233   6.863  -6.653
   84   2HO*    A   8          2HO*        A   8  13.253   8.911  -8.313
   85    H1*    A   8           H1*        A   8  12.638   7.407  -9.530
   86    H8     A   8           H8         A   8  11.045   5.003  -6.932
   87   1H6     A   8          1H6         A   8   6.535   5.244  -8.755
   88   2H6     A   8          2H6         A   8   5.880   6.007 -10.186
   89    H2     A   8           H2         A   8   9.299   8.038 -12.263
   90   1H5*    U   9          1H5*        U   9  14.783  10.932  -5.855
   91   2H5*    U   9          2H5*        U   9  13.767   9.623  -6.495
   92    H4*    U   9           H4*        U   9  13.909  12.316  -7.880
   93    H3*    U   9           H3*        U   9  12.642  11.712  -5.264
   94    H2*    U   9           H2*        U   9  10.423  11.911  -5.919
   95   2HO*    U   9          2HO*        U   9  11.267  14.109  -6.847
   96    H1*    U   9           H1*        U   9  10.498  11.424  -8.640
   97    H3     U   9           H3         U   9   8.082   7.771  -7.897
   98    H5     U   9           H5         U   9  10.858   7.722  -4.729
   99    H6     U   9           H6         U   9  11.754   9.795  -5.613
  100   1H5*    C  10          1H5*        C  10  10.421  17.156  -4.741
  101   2H5*    C  10          2H5*        C  10   9.877  15.466  -4.803
  102    H4*    C  10           H4*        C  10  10.078  17.453  -7.093
  103    H3*    C  10           H3*        C  10   7.823  15.871  -5.782
  104    H2*    C  10           H2*        C  10   6.747  15.797  -7.892
  105   2HO*    C  10          2HO*        C  10   8.725  17.302  -9.205
  106    H1*    C  10           H1*        C  10   8.891  15.071  -9.328
  107   1H4     C  10          1H4         C  10   6.291  10.233  -5.609
  108   2H4     C  10          2H4         C  10   5.284  10.329  -7.043
  109    H5     C  10           H5         C  10   8.186  11.730  -5.228
  110    H6     C  10           H6         C  10   9.324  13.743  -6.048
  111   1H5*    C  11          1H5*        C  11   4.645  15.770  -8.298
  112   2H5*    C  11          2H5*        C  11   4.726  17.480  -8.727
  113    H4*    C  11           H4*        C  11   2.998  17.155  -6.426
  114    H3*    C  11           H3*        C  11   2.763  14.898  -8.203
  115    H2*    C  11           H2*        C  11   1.157  15.529  -9.748
  116   2HO*    C  11          2HO*        C  11  -0.025  16.338  -7.442
  117    H1*    C  11           H1*        C  11   1.069  18.249  -9.687
  118   1H4     C  11          1H4         C  11   5.579  16.762 -14.157
  119   2H4     C  11          2H4         C  11   6.123  18.345 -13.648
  120    H5     C  11           H5         C  11   3.847  15.545 -13.022
  121    H6     C  11           H6         C  11   2.293  15.528 -11.192
  122   1H5*    C  12          1H5*        C  12  -0.379  14.199  -8.830
  123   2H5*    C  12          2H5*        C  12  -1.462  15.414  -8.137
  124    H4*    C  12           H4*        C  12  -2.786  12.951  -7.728
  125    H3*    C  12           H3*        C  12  -1.018  12.447  -9.819
  126    H2*    C  12           H2*        C  12  -1.858  13.532 -11.689
  127   2HO*    C  12          2HO*        C  12  -4.503  12.801 -11.343
  128    H1*    C  12           H1*        C  12  -4.280  14.646 -10.900
  129   1H4     C  12          1H4         C  12   0.358  19.295 -11.709
  130   2H4     C  12          2H4         C  12  -1.173  20.137 -11.631
  131    H5     C  12           H5         C  12   0.574  16.925 -11.356
  132    H6     C  12           H6         C  12  -0.604  14.859 -10.843
  133   1H5*    G  13          1H5*        G  13  -3.351  11.327 -13.431
  134   2H5*    G  13          2H5*        G  13  -2.163  10.029 -13.698
  135    H4*    G  13           H4*        G  13  -1.976  12.393 -14.964
  136    H3*    G  13           H3*        G  13   0.059  10.451 -13.947
  137    H2*    G  13           H2*        G  13   1.885  11.903 -14.392
  138   2HO*    G  13          2HO*        G  13  -0.014  13.599 -15.711
  139    H1*    G  13           H1*        G  13   0.864  14.101 -13.286
  140    H8     G  13           H8         G  13  -0.615  11.112 -11.552
  141    H1     G  13           H1         G  13   5.145  12.587  -9.411
  142   1H2     G  13          1H2         G  13   5.176  14.927 -11.990
  143   2H2     G  13          2H2         G  13   6.008  14.251 -10.609
  144   1H5*    A  14          1H5*        A  14   0.368   8.349 -14.377
  145   2H5*    A  14          2H5*        A  14   1.675   9.138 -13.474
  146    H4*    A  14           H4*        A  14   1.810   6.620 -15.144
  147    H3*    A  14           H3*        A  14   1.306   7.051 -12.458
  148    H2*    A  14           H2*        A  14   3.279   7.688 -11.538
  149   2HO*    A  14          2HO*        A  14   4.976   5.946 -11.656
  150    H1*    A  14           H1*        A  14   5.236   6.979 -13.503
  151    H8     A  14           H8         A  14   3.416  10.078 -14.364
  152   1H6     A  14          1H6         A  14   6.445  13.225 -12.228
  153   2H6     A  14          2H6         A  14   7.647  13.042 -10.970
  154    H2     A  14           H2         A  14   7.729   8.676  -9.868
  155   1H5*    A  15          1H5*        A  15  -0.084   6.081 -11.409
  156   2H5*    A  15          2H5*        A  15   1.209   4.883 -11.147
  157    H4*    A  15           H4*        A  15  -1.520   3.958 -10.463
  158    H3*    A  15           H3*        A  15  -1.237   6.517  -9.644
  159    H2*    A  15           H2*        A  15   1.079   6.227  -8.933
  160   2HO*    A  15          2HO*        A  15  -0.743   5.983  -6.753
  161    H1*    A  15           H1*        A  15   0.150   3.809  -7.388
  162    H8     A  15           H8         A  15   3.064   4.748  -9.834
  163   1H6     A  15          1H6         A  15   6.655   2.897  -7.170
  164   2H6     A  15          2H6         A  15   6.709   2.174  -5.579
  165    H2     A  15           H2         A  15   2.504   2.114  -4.022
  166   1H5*    G  16          1H5*        G  16  -4.877   4.372  -8.727
  167   2H5*    G  16          2H5*        G  16  -5.452   3.568  -7.253
  168    H4*    G  16           H4*        G  16  -2.663   3.357  -8.452
  169    H3*    G  16           H3*        G  16  -5.083   1.851  -8.953
  170    H2*    G  16           H2*        G  16  -4.849   0.416  -7.106
  171   2HO*    G  16          2HO*        G  16  -3.979  -1.365  -7.887
  172    H1*    G  16           H1*        G  16  -1.855   0.871  -7.092
  173    H8     G  16           H8         G  16  -5.057   0.633  -4.937
  174    H1     G  16           H1         G  16   0.269  -1.364  -2.058
  175   1H2     G  16          1H2         G  16   1.846  -0.371  -5.007
  176   2H2     G  16          2H2         G  16   2.009  -1.034  -3.398
  177   1H5*    U  17          1H5*        U  17  -1.815  -0.551 -13.132
  178   2H5*    U  17          2H5*        U  17  -1.226  -0.256 -11.483
  179    H4*    U  17           H4*        U  17  -0.596   1.413 -13.951
  180    H3*    U  17           H3*        U  17   0.872  -0.729 -12.412
  181    H2*    U  17           H2*        U  17   2.889   0.485 -12.448
  182   2HO*    U  17          2HO*        U  17   2.000   1.276 -14.816
  183    H1*    U  17           H1*        U  17   1.905   2.993 -12.010
  184    H3     U  17           H3         U  17   4.326   0.900  -8.634
  185    H5     U  17           H5         U  17   0.245   0.575  -7.674
  186    H6     U  17           H6         U  17  -0.261   1.376  -9.905
  187   1H5*    A  18          1H5*        A  18   3.790   0.083 -14.649
  188   2H5*    A  18          2H5*        A  18   3.982  -1.147 -15.915
  189    H4*    A  18           H4*        A  18   6.155  -0.937 -15.042
  190    H3*    A  18           H3*        A  18   4.671  -3.248 -13.751
  191    H2*    A  18           H2*        A  18   6.539  -3.697 -12.380
  192   2HO*    A  18          2HO*        A  18   8.075  -1.930 -14.026
  193    H1*    A  18           H1*        A  18   7.313  -1.082 -11.887
  194    H8     A  18           H8         A  18   3.572  -1.416 -11.574
  195   1H6     A  18          1H6         A  18   3.279  -3.049  -7.042
  196   2H6     A  18          2H6         A  18   4.473  -3.609  -5.892
  197    H2     A  18           H2         A  18   8.462  -3.399  -7.954
  198   1H5*    G  19          1H5*        G  19   8.739  -4.156 -13.959
  199   2H5*    G  19          2H5*        G  19   8.935  -5.827 -14.524
  200    H4*    G  19           H4*        G  19   9.941  -5.373 -12.257
  201    H3*    G  19           H3*        G  19   7.844  -7.488 -12.767
  202    H2*    G  19           H2*        G  19   7.764  -8.059 -10.474
  203   2HO*    G  19          2HO*        G  19  10.283  -7.656 -10.500
  204    H1*    G  19           H1*        G  19   7.878  -5.551  -9.410
  205    H8     G  19           H8         G  19   5.806  -5.794 -12.619
  206    H1     G  19           H1         G  19   2.523  -7.137  -7.320
  207   1H2     G  19          1H2         G  19   5.617  -6.956  -5.727
  208   2H2     G  19          2H2         G  19   3.894  -7.217  -5.579
  209   1H5*    G  20          1H5*        G  20   9.379 -11.460 -10.593
  210   2H5*    G  20          2H5*        G  20   7.616 -11.250 -10.558
  211    H4*    G  20           H4*        G  20   9.703 -10.041  -8.727
  212    H3*    G  20           H3*        G  20   7.351 -11.907  -8.482
  213    H2*    G  20           H2*        G  20   6.642 -10.895  -6.434
  214   2HO*    G  20          2HO*        G  20   8.146  -9.154  -5.582
  215    H1*    G  20           H1*        G  20   6.974  -8.341  -7.098
  216    H8     G  20           H8         G  20   5.740  -8.827 -10.295
  217    H1     G  20           H1         G  20   1.228 -10.667  -6.194
  218   1H2     G  20          1H2         G  20   3.830 -10.840  -3.877
  219   2H2     G  20          2H2         G  20   2.124 -11.060  -4.199
  220   1H5*    C  21          1H5*        C  21   8.626 -12.194  -5.447
  221   2H5*    C  21          2H5*        C  21   9.301 -13.304  -4.238
  222    H4*    C  21           H4*        C  21   7.116 -13.172  -3.485
  223    H3*    C  21           H3*        C  21   7.410 -15.466  -5.407
  224    H2*    C  21           H2*        C  21   5.155 -15.520  -5.890
  225   2HO*    C  21          2HO*        C  21   3.749 -15.093  -3.818
  226    H1*    C  21           H1*        C  21   4.461 -13.148  -4.245
  227   1H4     C  21          1H4         C  21   1.867 -12.186 -10.158
  228   2H4     C  21          2H4         C  21   0.595 -13.009  -9.285
  229    H5     C  21           H5         C  21   4.093 -11.889  -9.262
  230    H6     C  21           H6         C  21   5.548 -12.252  -7.391
  231   1H5*    C  22          1H5*        C  22   5.826 -19.521  -2.419
  232   2H5*    C  22          2H5*        C  22   5.417 -19.412  -4.142
  233    H4*    C  22           H4*        C  22   3.649 -19.507  -1.775
  234    H3*    C  22           H3*        C  22   3.469 -20.127  -4.739
  235    H2*    C  22           H2*        C  22   1.123 -20.075  -4.603
  236   2HO*    C  22          2HO*        C  22   0.428 -21.061  -2.834
  237    H1*    C  22           H1*        C  22   0.938 -17.870  -2.974
  238   1H4     C  22          1H4         C  22   2.012 -15.582  -9.068
  239   2H4     C  22          2H4         C  22   0.326 -16.047  -9.082
  240    H5     C  22           H5         C  22   3.487 -16.025  -7.220
  241    H6     C  22           H6         C  22   3.675 -17.019  -4.988
  242    H3T    C  22           H3T        C  22   3.371 -22.124  -3.975
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  -9.054 -18.796 -12.666
    2   2H5*    G   1          2H5*        G   1  -9.150 -17.037 -12.896
    3    H4*    G   1           H4*        G   1  -8.349 -18.299 -10.573
    4    H3*    G   1           H3*        G   1  -8.081 -15.528 -11.707
    5    H2*    G   1           H2*        G   1  -6.137 -15.098 -10.558
    6   2HO*    G   1          2HO*        G   1  -7.562 -14.892  -8.690
    7    H1*    G   1           H1*        G   1  -5.945 -17.793  -9.313
    8    H8     G   1           H8         G   1  -4.426 -16.536 -12.605
    9    H1     G   1           H1         G   1  -0.351 -16.638  -7.710
   10   1H2     G   1          1H2         G   1  -3.149 -17.439  -5.797
   11   2H2     G   1          2H2         G   1  -1.427 -17.133  -5.836
   12    H5T    G   1           H5T        G   1  -6.632 -18.025 -13.265
   13   1H5*    G   2          1H5*        G   2  -9.630 -13.033  -6.751
   14   2H5*    G   2          2H5*        G   2  -8.203 -13.126  -7.805
   15    H4*    G   2           H4*        G   2  -8.675 -14.748  -5.273
   16    H3*    G   2           H3*        G   2  -7.168 -12.218  -5.893
   17    H2*    G   2           H2*        G   2  -5.221 -12.943  -4.807
   18   2HO*    G   2          2HO*        G   2  -6.420 -15.181  -3.602
   19    H1*    G   2           H1*        G   2  -5.299 -15.625  -5.360
   20    H8     G   2           H8         G   2  -6.026 -13.999  -8.600
   21    H1     G   2           H1         G   2   0.107 -13.388  -6.964
   22   1H2     G   2          1H2         G   2  -0.947 -14.461  -3.820
   23   2H2     G   2          2H2         G   2   0.381 -13.933  -4.829
   24   1H5*    C   3          1H5*        C   3  -6.288 -12.166  -1.620
   25   2H5*    C   3          2H5*        C   3  -6.243 -10.422  -1.290
   26    H4*    C   3           H4*        C   3  -4.011 -11.896  -1.337
   27    H3*    C   3           H3*        C   3  -4.566  -9.055  -2.133
   28    H2*    C   3           H2*        C   3  -2.775  -8.952  -3.571
   29   2HO*    C   3          2HO*        C   3  -0.746  -9.308  -2.791
   30    H1*    C   3           H1*        C   3  -1.942 -11.789  -3.187
   31   1H4     C   3          1H4         C   3  -2.338 -10.466  -9.637
   32   2H4     C   3          2H4         C   3  -0.647 -10.252  -9.248
   33    H5     C   3           H5         C   3  -4.035 -10.893  -7.973
   34    H6     C   3           H6         C   3  -4.477 -11.104  -5.582
   35   1H5*    C   4          1H5*        C   4   0.425 -10.581  -0.977
   36   2H5*    C   4          2H5*        C   4   0.898 -10.222   0.696
   37    H4*    C   4           H4*        C   4   2.135  -8.531  -0.140
   38    H3*    C   4           H3*        C   4  -0.682  -7.503  -0.469
   39    H2*    C   4           H2*        C   4  -0.124  -6.023  -2.091
   40   2HO*    C   4          2HO*        C   4   2.491  -5.680  -1.072
   41    H1*    C   4           H1*        C   4   2.554  -7.032  -2.687
   42   1H4     C   4          1H4         C   4  -1.767  -7.051  -7.710
   43   2H4     C   4          2H4         C   4  -0.178  -6.826  -8.406
   44    H5     C   4           H5         C   4  -2.134  -7.356  -5.333
   45    H6     C   4           H6         C   4  -1.078  -7.602  -3.172
   46   1H5*    G   5          1H5*        G   5   5.008  -7.153  -0.915
   47   2H5*    G   5          2H5*        G   5   4.798  -5.727   0.119
   48    H4*    G   5           H4*        G   5   5.397  -5.582  -2.531
   49    H3*    G   5           H3*        G   5   3.727  -3.670  -0.834
   50    H2*    G   5           H2*        G   5   3.498  -2.342  -2.759
   51   2HO*    G   5          2HO*        G   5   6.054  -3.019  -3.078
   52    H1*    G   5           H1*        G   5   3.795  -4.514  -4.628
   53    H8     G   5           H8         G   5   0.968  -4.126  -2.016
   54    H1     G   5           H1         G   5  -0.542  -2.026  -7.835
   55   1H2     G   5          1H2         G   5   2.800  -2.647  -8.600
   56   2H2     G   5          2H2         G   5   1.236  -2.091  -9.154
   57   1H5*    A   6          1H5*        A   6   6.897   0.531  -1.670
   58   2H5*    A   6          2H5*        A   6   5.970   0.370  -3.175
   59    H4*    A   6           H4*        A   6   8.085  -1.617  -2.259
   60    H3*    A   6           H3*        A   6   8.267   0.883  -3.966
   61    H2*    A   6           H2*        A   6   9.678  -0.235  -5.490
   62   2HO*    A   6          2HO*        A   6  10.824  -2.094  -4.934
   63    H1*    A   6           H1*        A   6   8.507  -2.747  -5.363
   64    H8     A   6           H8         A   6   5.512  -0.861  -5.910
   65   1H6     A   6          1H6         A   6   5.917   0.371 -10.551
   66   2H6     A   6          2H6         A   6   7.265   0.415 -11.666
   67    H2     A   6           H2         A   6  10.876  -1.010  -9.397
   68   1H5*    A   7          1H5*        A   7  11.841  -0.055  -3.188
   69   2H5*    A   7          2H5*        A   7  13.183   1.020  -2.754
   70    H4*    A   7           H4*        A   7  13.665   0.306  -4.972
   71    H3*    A   7           H3*        A   7  12.353   3.042  -4.888
   72    H2*    A   7           H2*        A   7  12.513   3.169  -7.242
   73   2HO*    A   7          2HO*        A   7  13.969   2.082  -8.427
   74    H1*    A   7           H1*        A   7  12.008   0.505  -7.784
   75    H8     A   7           H8         A   7   9.594   2.009  -5.299
   76   1H6     A   7          1H6         A   7   6.066   3.078  -8.446
   77   2H6     A   7          2H6         A   7   6.047   3.253 -10.183
   78    H2     A   7           H2         A   7  10.189   2.373 -11.638
   79   1H5*    A   8          1H5*        A   8  15.984   4.830  -7.004
   80   2H5*    A   8          2H5*        A   8  14.458   4.133  -6.432
   81    H4*    A   8           H4*        A   8  15.148   3.629  -9.286
   82    H3*    A   8           H3*        A   8  15.007   6.349  -8.137
   83    H2*    A   8           H2*        A   8  12.941   6.943  -8.793
   84   2HO*    A   8          2HO*        A   8  12.493   7.056 -10.896
   85    H1*    A   8           H1*        A   8  11.924   4.569 -10.002
   86    H8     A   8           H8         A   8  12.226   5.056  -6.341
   87   1H6     A   8          1H6         A   8   7.922   7.228  -5.603
   88   2H6     A   8          2H6         A   8   6.702   7.801  -6.717
   89    H2     A   8           H2         A   8   8.237   6.939 -10.876
   90   1H5*    U   9          1H5*        U   9  14.900   3.904 -13.242
   91   2H5*    U   9          2H5*        U   9  16.126   4.488 -14.381
   92    H4*    U   9           H4*        U   9  14.883   6.354 -14.991
   93    H3*    U   9           H3*        U   9  14.254   6.500 -12.200
   94    H2*    U   9           H2*        U   9  11.948   6.120 -12.118
   95   2HO*    U   9          2HO*        U   9  11.304   6.999 -14.656
   96    H1*    U   9           H1*        U   9  11.264   4.985 -14.456
   97    H3     U   9           H3         U   9  11.493   0.621 -13.288
   98    H5     U   9           H5         U   9  13.429   2.652 -10.153
   99    H6     U   9           H6         U   9  13.282   4.700 -11.453
  100   1H5*    C  10          1H5*        C  10  15.186  11.596 -15.577
  101   2H5*    C  10          2H5*        C  10  14.623  11.151 -13.953
  102    H4*    C  10           H4*        C  10  13.118  11.164 -16.564
  103    H3*    C  10           H3*        C  10  12.758  12.251 -13.765
  104    H2*    C  10           H2*        C  10  10.450  11.868 -13.808
  105   2HO*    C  10          2HO*        C  10   9.983  11.158 -16.378
  106    H1*    C  10           H1*        C  10  10.389   9.547 -15.316
  107   1H4     C  10          1H4         C  10  11.326   8.276  -8.882
  108   2H4     C  10          2H4         C  10   9.588   8.353  -9.081
  109    H5     C  10           H5         C  10  12.875   8.715 -10.683
  110    H6     C  10           H6         C  10  13.088   9.435 -13.009
  111   1H5*    C  11          1H5*        C  11   9.570  13.865 -14.820
  112   2H5*    C  11          2H5*        C  11   9.580  13.823 -16.589
  113    H4*    C  11           H4*        C  11   8.674  16.403 -15.994
  114    H3*    C  11           H3*        C  11   8.217  15.030 -13.604
  115    H2*    C  11           H2*        C  11   6.379  13.636 -13.964
  116   2HO*    C  11          2HO*        C  11   5.181  15.953 -15.126
  117    H1*    C  11           H1*        C  11   5.557  14.177 -16.562
  118   1H4     C  11          1H4         C  11   8.285   8.263 -16.279
  119   2H4     C  11          2H4         C  11   7.461   8.336 -17.819
  120    H5     C  11           H5         C  11   8.387  10.154 -14.768
  121    H6     C  11           H6         C  11   7.949  12.480 -14.462
  122   1H5*    C  12          1H5*        C  12   5.584  15.284 -12.621
  123   2H5*    C  12          2H5*        C  12   4.051  16.138 -12.570
  124    H4*    C  12           H4*        C  12   3.779  15.668 -10.428
  125    H3*    C  12           H3*        C  12   6.301  17.114 -10.274
  126    H2*    C  12           H2*        C  12   7.483  15.786  -8.866
  127   2HO*    C  12          2HO*        C  12   5.345  16.334  -7.397
  128    H1*    C  12           H1*        C  12   5.856  13.479  -8.595
  129   1H4     C  12          1H4         C  12  11.237  12.504 -12.307
  130   2H4     C  12          2H4         C  12  11.799  12.205 -10.678
  131    H5     C  12           H5         C  12   9.015  13.376 -12.796
  132    H6     C  12           H6         C  12   6.903  13.976 -11.872
  133   1H5*    G  13          1H5*        G  13   0.886  14.832  -9.057
  134   2H5*    G  13          2H5*        G  13   2.402  13.949  -8.799
  135    H4*    G  13           H4*        G  13   1.016  14.550 -11.442
  136    H3*    G  13           H3*        G  13   1.611  12.067  -9.813
  137    H2*    G  13           H2*        G  13   1.995  10.816 -11.792
  138   2HO*    G  13          2HO*        G  13   1.568  11.987 -13.894
  139    H1*    G  13           H1*        G  13   3.450  12.659 -13.153
  140    H8     G  13           H8         G  13   4.068  12.701  -9.442
  141    H1     G  13           H1         G  13   7.544   8.323 -12.438
  142   1H2     G  13          1H2         G  13   5.754   9.258 -15.259
  143   2H2     G  13          2H2         G  13   7.040   8.290 -14.573
  144   1H5*    A  14          1H5*        A  14  -0.999   8.597 -11.920
  145   2H5*    A  14          2H5*        A  14   0.317   8.036 -10.872
  146    H4*    A  14           H4*        A  14   0.423   8.813 -13.797
  147    H3*    A  14           H3*        A  14   0.609   6.333 -12.224
  148    H2*    A  14           H2*        A  14   2.784   5.709 -12.713
  149   2HO*    A  14          2HO*        A  14   3.749   6.245 -14.731
  150    H1*    A  14           H1*        A  14   4.042   8.062 -13.314
  151    H8     A  14           H8         A  14   2.247   8.767 -10.177
  152   1H6     A  14          1H6         A  14   5.092   6.545  -6.974
  153   2H6     A  14          2H6         A  14   6.440   5.441  -7.137
  154    H2     A  14           H2         A  14   7.118   4.828 -11.541
  155   1H5*    A  15          1H5*        A  15   0.802   4.152 -11.943
  156   2H5*    A  15          2H5*        A  15  -0.392   2.969 -12.522
  157    H4*    A  15           H4*        A  15  -1.795   3.295 -10.652
  158    H3*    A  15           H3*        A  15  -1.230   5.981 -10.770
  159    H2*    A  15           H2*        A  15   1.032   5.758  -9.956
  160   2HO*    A  15          2HO*        A  15  -0.279   7.180  -8.572
  161    H1*    A  15           H1*        A  15  -0.032   3.858  -7.843
  162    H8     A  15           H8         A  15   2.901   4.080 -10.402
  163   1H6     A  15          1H6         A  15   6.474   2.959  -7.301
  164   2H6     A  15          2H6         A  15   6.499   2.680  -5.577
  165    H2     A  15           H2         A  15   2.281   3.069  -4.108
  166   1H5*    G  16          1H5*        G  16  -5.527   3.085  -8.429
  167   2H5*    G  16          2H5*        G  16  -5.097   3.395  -6.736
  168    H4*    G  16           H4*        G  16  -2.805   2.895  -8.579
  169    H3*    G  16           H3*        G  16  -5.022   1.036  -8.614
  170    H2*    G  16           H2*        G  16  -4.470  -0.056  -6.618
  171   2HO*    G  16          2HO*        G  16  -2.371  -1.384  -7.151
  172    H1*    G  16           H1*        G  16  -1.565   0.729  -6.900
  173    H8     G  16           H8         G  16  -4.583   0.741  -4.455
  174    H1     G  16           H1         G  16   0.967  -0.999  -1.843
  175   1H2     G  16          1H2         G  16   2.293  -0.423  -5.014
  176   2H2     G  16          2H2         G  16   2.583  -0.902  -3.356
  177   1H5*    U  17          1H5*        U  17  -2.052  -1.458 -12.948
  178   2H5*    U  17          2H5*        U  17  -1.308  -1.139 -11.368
  179    H4*    U  17           H4*        U  17  -0.925   0.457 -13.929
  180    H3*    U  17           H3*        U  17   0.744  -1.525 -12.365
  181    H2*    U  17           H2*        U  17   2.698  -0.233 -12.720
  182   2HO*    U  17          2HO*        U  17   1.732   0.228 -15.031
  183    H1*    U  17           H1*        U  17   1.634   2.239 -12.327
  184    H3     U  17           H3         U  17   4.431   0.402  -9.046
  185    H5     U  17           H5         U  17   0.482   0.401  -7.619
  186    H6     U  17           H6         U  17  -0.244   0.947  -9.865
  187   1H5*    A  18          1H5*        A  18   3.806  -0.202 -14.668
  188   2H5*    A  18          2H5*        A  18   3.883  -1.458 -15.921
  189    H4*    A  18           H4*        A  18   6.116  -1.232 -15.146
  190    H3*    A  18           H3*        A  18   4.636  -3.606 -13.999
  191    H2*    A  18           H2*        A  18   6.431  -4.148 -12.586
  192   2HO*    A  18          2HO*        A  18   8.066  -2.471 -14.227
  193    H1*    A  18           H1*        A  18   7.383  -1.587 -12.061
  194    H8     A  18           H8         A  18   3.658  -1.745 -11.543
  195   1H6     A  18          1H6         A  18   3.557  -3.289  -6.983
  196   2H6     A  18          2H6         A  18   4.789  -3.899  -5.901
  197    H2     A  18           H2         A  18   8.636  -3.969  -8.206
  198   1H5*    G  19          1H5*        G  19   8.563  -4.594 -14.602
  199   2H5*    G  19          2H5*        G  19   8.827  -6.295 -15.042
  200    H4*    G  19           H4*        G  19   9.801  -5.681 -12.806
  201    H3*    G  19           H3*        G  19   7.638  -7.792 -13.098
  202    H2*    G  19           H2*        G  19   7.699  -8.180 -10.764
  203   2HO*    G  19          2HO*        G  19   9.585  -8.112  -9.818
  204    H1*    G  19           H1*        G  19   7.902  -5.580  -9.954
  205    H8     G  19           H8         G  19   5.567  -6.137 -12.930
  206    H1     G  19           H1         G  19   2.735  -6.780  -7.256
  207   1H2     G  19          1H2         G  19   5.966  -6.578  -5.962
  208   2H2     G  19          2H2         G  19   4.255  -6.747  -5.640
  209   1H5*    G  20          1H5*        G  20   9.945 -11.141 -10.289
  210   2H5*    G  20          2H5*        G  20   8.220 -11.555 -10.290
  211    H4*    G  20           H4*        G  20   9.743  -9.686  -8.520
  212    H3*    G  20           H3*        G  20   7.506 -11.713  -8.256
  213    H2*    G  20           H2*        G  20   6.627 -10.510  -6.380
  214   2HO*    G  20          2HO*        G  20   8.036  -8.570  -5.723
  215    H1*    G  20           H1*        G  20   6.955  -8.011  -7.347
  216    H8     G  20           H8         G  20   5.728  -8.931 -10.441
  217    H1     G  20           H1         G  20   1.168 -10.154  -6.175
  218   1H2     G  20          1H2         G  20   3.723 -10.057  -3.824
  219   2H2     G  20          2H2         G  20   2.019 -10.293  -4.150
  220   1H5*    C  21          1H5*        C  21   8.561 -11.451  -5.173
  221   2H5*    C  21          2H5*        C  21   9.142 -12.296  -3.723
  222    H4*    C  21           H4*        C  21   6.899 -12.168  -3.207
  223    H3*    C  21           H3*        C  21   7.443 -14.708  -4.720
  224    H2*    C  21           H2*        C  21   5.266 -14.887  -5.438
  225   2HO*    C  21          2HO*        C  21   3.842 -14.084  -3.289
  226    H1*    C  21           H1*        C  21   4.375 -12.369  -4.117
  227   1H4     C  21          1H4         C  21   1.965 -12.187 -10.176
  228   2H4     C  21          2H4         C  21   0.663 -12.877  -9.229
  229    H5     C  21           H5         C  21   4.160 -11.754  -9.262
  230    H6     C  21           H6         C  21   5.585 -11.920  -7.341
  231   1H5*    C  22          1H5*        C  22   5.197 -18.289  -1.047
  232   2H5*    C  22          2H5*        C  22   5.120 -18.091  -2.809
  233    H4*    C  22           H4*        C  22   2.999 -17.516  -0.735
  234    H3*    C  22           H3*        C  22   3.251 -19.111  -3.295
  235    H2*    C  22           H2*        C  22   0.993 -18.773  -3.783
  236   2HO*    C  22          2HO*        C  22   0.633 -17.817  -1.112
  237    H1*    C  22           H1*        C  22   0.800 -16.166  -2.867
  238   1H4     C  22          1H4         C  22   3.056 -15.850  -9.054
  239   2H4     C  22          2H4         C  22   1.332 -16.087  -9.231
  240    H5     C  22           H5         C  22   4.196 -16.008  -6.940
  241    H6     C  22           H6         C  22   3.919 -16.332  -4.521
  242    H3T    C  22           H3T        C  22   1.595 -20.161  -1.549
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1 -10.970 -17.130 -12.013
    2   2H5*    G   1          2H5*        G   1 -11.334 -15.590 -11.207
    3    H4*    G   1           H4*        G   1  -9.877 -17.513 -10.026
    4    H3*    G   1           H3*        G   1  -9.833 -14.515  -9.830
    5    H2*    G   1           H2*        G   1  -7.650 -14.451  -9.125
    6   2HO*    G   1          2HO*        G   1  -7.254 -16.473  -7.517
    7    H1*    G   1           H1*        G   1  -7.181 -17.377  -9.317
    8    H8     G   1           H8         G   1  -6.618 -14.685 -11.983
    9    H1     G   1           H1         G   1  -1.373 -16.225  -8.705
   10   1H2     G   1          1H2         G   1  -3.542 -18.160  -6.776
   11   2H2     G   1          2H2         G   1  -1.905 -17.603  -7.046
   12    H5T    G   1           H5T        G   1  -9.037 -15.196 -12.317
   13   1H5*    G   2          1H5*        G   2  -9.969 -13.555  -4.684
   14   2H5*    G   2          2H5*        G   2  -8.753 -13.629  -5.975
   15    H4*    G   2           H4*        G   2  -8.868 -15.427  -3.520
   16    H3*    G   2           H3*        G   2  -7.338 -12.921  -4.222
   17    H2*    G   2           H2*        G   2  -5.316 -13.817  -3.402
   18   2HO*    G   2          2HO*        G   2  -6.444 -14.700  -1.473
   19    H1*    G   2           H1*        G   2  -5.534 -16.346  -4.342
   20    H8     G   2           H8         G   2  -6.921 -14.237  -7.066
   21    H1     G   2           H1         G   2  -0.570 -13.782  -6.692
   22   1H2     G   2          1H2         G   2  -0.948 -15.390  -3.621
   23   2H2     G   2          2H2         G   2   0.140 -14.659  -4.780
   24   1H5*    C   3          1H5*        C   3  -5.580 -13.111   0.274
   25   2H5*    C   3          2H5*        C   3  -5.347 -11.354   0.169
   26    H4*    C   3           H4*        C   3  -3.342 -13.297   0.041
   27    H3*    C   3           H3*        C   3  -3.538 -10.345  -0.568
   28    H2*    C   3           H2*        C   3  -1.696 -10.395  -1.954
   29   2HO*    C   3          2HO*        C   3  -0.512 -12.532  -0.509
   30    H1*    C   3           H1*        C   3  -1.464 -13.304  -2.181
   31   1H4     C   3          1H4         C   3  -2.655 -10.623  -8.088
   32   2H4     C   3          2H4         C   3  -0.918 -10.505  -7.926
   33    H5     C   3           H5         C   3  -4.099 -11.350  -6.295
   34    H6     C   3           H6         C   3  -4.196 -12.086  -3.979
   35   1H5*    C   4          1H5*        C   4   1.087 -10.803   0.051
   36   2H5*    C   4          2H5*        C   4   1.065  -9.866   1.559
   37    H4*    C   4           H4*        C   4   2.573  -8.612   0.331
   38    H3*    C   4           H3*        C   4  -0.238  -7.622  -0.125
   39    H2*    C   4           H2*        C   4   0.258  -6.494  -2.020
   40   2HO*    C   4          2HO*        C   4   2.647  -5.811  -0.667
   41    H1*    C   4           H1*        C   4   2.958  -7.543  -2.448
   42   1H4     C   4          1H4         C   4  -1.481  -8.312  -7.307
   43   2H4     C   4          2H4         C   4   0.058  -7.957  -8.064
   44    H5     C   4           H5         C   4  -1.761  -8.474  -4.890
   45    H6     C   4           H6         C   4  -0.626  -8.410  -2.753
   46   1H5*    G   5          1H5*        G   5   4.769  -6.509  -0.602
   47   2H5*    G   5          2H5*        G   5   5.405  -5.061   0.200
   48    H4*    G   5           H4*        G   5   5.638  -4.805  -2.211
   49    H3*    G   5           H3*        G   5   3.421  -3.104  -0.987
   50    H2*    G   5           H2*        G   5   3.186  -2.111  -3.118
   51   2HO*    G   5          2HO*        G   5   5.800  -3.114  -3.697
   52    H1*    G   5           H1*        G   5   4.042  -4.414  -4.592
   53    H8     G   5           H8         G   5   1.008  -4.450  -2.226
   54    H1     G   5           H1         G   5  -0.428  -2.978  -8.257
   55   1H2     G   5          1H2         G   5   3.020  -2.992  -8.761
   56   2H2     G   5          2H2         G   5   1.428  -2.747  -9.445
   57   1H5*    A   6          1H5*        A   6   6.169   0.868  -2.923
   58   2H5*    A   6          2H5*        A   6   5.276  -0.664  -2.909
   59    H4*    A   6           H4*        A   6   7.773  -1.586  -2.356
   60    H3*    A   6           H3*        A   6   8.130   1.064  -3.756
   61    H2*    A   6           H2*        A   6   9.546   0.142  -5.380
   62   2HO*    A   6          2HO*        A   6  10.531  -1.113  -3.322
   63    H1*    A   6           H1*        A   6   8.519  -2.442  -5.515
   64    H8     A   6           H8         A   6   5.457  -0.791  -6.185
   65   1H6     A   6          1H6         A   6   6.135   0.903 -10.654
   66   2H6     A   6          2H6         A   6   7.564   1.180 -11.625
   67    H2     A   6           H2         A   6  11.087  -0.107  -9.145
   68   1H5*    A   7          1H5*        A   7  13.539   2.126  -2.541
   69   2H5*    A   7          2H5*        A   7  12.129   3.142  -2.900
   70    H4*    A   7           H4*        A   7  13.716   1.355  -4.738
   71    H3*    A   7           H3*        A   7  12.754   4.217  -4.677
   72    H2*    A   7           H2*        A   7  12.181   4.196  -6.924
   73   2HO*    A   7          2HO*        A   7  14.446   2.522  -7.080
   74    H1*    A   7           H1*        A   7  12.057   1.345  -7.311
   75    H8     A   7           H8         A   7   9.284   2.263  -5.148
   76   1H6     A   7          1H6         A   7   5.952   3.298  -8.480
   77   2H6     A   7          2H6         A   7   6.054   3.740 -10.170
   78    H2     A   7           H2         A   7  10.405   3.713 -11.257
   79   1H5*    A   8          1H5*        A   8  14.833   7.652  -6.297
   80   2H5*    A   8          2H5*        A   8  13.320   6.943  -5.695
   81    H4*    A   8           H4*        A   8  14.083   7.528  -8.578
   82    H3*    A   8           H3*        A   8  12.441   8.845  -6.524
   83    H2*    A   8           H2*        A   8  10.371   8.418  -7.394
   84   2HO*    A   8          2HO*        A   8  11.682   9.280  -9.717
   85    H1*    A   8           H1*        A   8  10.865   6.635  -9.512
   86    H8     A   8           H8         A   8  11.209   5.783  -5.817
   87   1H6     A   8          1H6         A   8   6.677   4.421  -4.904
   88   2H6     A   8          2H6         A   8   5.210   4.455  -5.856
   89    H2     A   8           H2         A   8   6.300   6.221  -9.842
   90   1H5*    U   9          1H5*        U   9  10.888  12.982  -6.892
   91   2H5*    U   9          2H5*        U   9  10.886  11.803  -5.579
   92    H4*    U   9           H4*        U   9   8.643  12.583  -7.425
   93    H3*    U   9           H3*        U   9   9.170  12.581  -4.572
   94    H2*    U   9           H2*        U   9   7.833  10.873  -3.915
   95   2HO*    U   9          2HO*        U   9   5.983  12.026  -3.940
   96    H1*    U   9           H1*        U   9   6.755   9.858  -6.350
   97    H3     U   9           H3         U   9   7.666   6.302  -3.585
   98    H5     U   9           H5         U   9  11.407   8.068  -4.429
   99    H6     U   9           H6         U   9  10.212   9.798  -5.671
  100   1H5*    C  10          1H5*        C  10   5.147  15.765  -6.910
  101   2H5*    C  10          2H5*        C  10   6.538  14.663  -6.945
  102    H4*    C  10           H4*        C  10   6.792  17.656  -6.457
  103    H3*    C  10           H3*        C  10   6.817  16.036  -9.029
  104    H2*    C  10           H2*        C  10   8.525  17.433  -9.842
  105   2HO*    C  10          2HO*        C  10   8.571  19.498  -9.352
  106    H1*    C  10           H1*        C  10   9.934  17.709  -7.481
  107   1H4     C  10          1H4         C  10  11.395  12.215 -10.964
  108   2H4     C  10          2H4         C  10  12.077  13.524 -11.916
  109    H5     C  10           H5         C  10  10.115  12.599  -8.902
  110    H6     C  10           H6         C  10   9.110  14.335  -7.473
  111   1H5*    C  11          1H5*        C  11   8.125  17.535 -12.580
  112   2H5*    C  11          2H5*        C  11   7.583  19.159 -12.112
  113    H4*    C  11           H4*        C  11   5.308  18.355 -13.234
  114    H3*    C  11           H3*        C  11   6.936  16.097 -13.775
  115    H2*    C  11           H2*        C  11   8.071  16.564 -15.700
  116   2HO*    C  11          2HO*        C  11   6.468  18.125 -17.150
  117    H1*    C  11           H1*        C  11   7.793  19.247 -16.213
  118   1H4     C  11          1H4         C  11  13.232  18.320 -12.640
  119   2H4     C  11          2H4         C  11  12.664  19.805 -11.907
  120    H5     C  11           H5         C  11  11.915  17.056 -14.229
  121    H6     C  11           H6         C  11   9.890  16.981 -15.516
  122   1H5*    C  12          1H5*        C  12   8.010  14.491 -15.842
  123   2H5*    C  12          2H5*        C  12   6.993  15.341 -17.020
  124    H4*    C  12           H4*        C  12   6.816  12.406 -17.108
  125    H3*    C  12           H3*        C  12   9.451  13.526 -17.077
  126    H2*    C  12           H2*        C  12   9.856  14.183 -19.239
  127   2HO*    C  12          2HO*        C  12   8.454  12.197 -20.556
  128    H1*    C  12           H1*        C  12   7.471  13.936 -20.575
  129   1H4     C  12          1H4         C  12   8.430  20.100 -18.219
  130   2H4     C  12          2H4         C  12   7.373  20.260 -19.604
  131    H5     C  12           H5         C  12   9.144  17.965 -17.331
  132    H6     C  12           H6         C  12   9.138  15.554 -17.716
  133   1H5*    G  13          1H5*        G  13   5.291   9.187 -17.369
  134   2H5*    G  13          2H5*        G  13   5.391  10.927 -17.699
  135    H4*    G  13           H4*        G  13   4.553   9.645 -15.314
  136    H3*    G  13           H3*        G  13   4.828  12.423 -16.316
  137    H2*    G  13           H2*        G  13   5.525  13.421 -14.367
  138   2HO*    G  13          2HO*        G  13   4.781  12.064 -12.318
  139    H1*    G  13           H1*        G  13   6.493  11.295 -12.846
  140    H8     G  13           H8         G  13   8.240  11.422 -16.089
  141    H1     G  13           H1         G  13  10.528  15.695 -12.007
  142   1H2     G  13          1H2         G  13   7.574  15.137 -10.261
  143   2H2     G  13          2H2         G  13   9.074  16.015 -10.377
  144   1H5*    A  14          1H5*        A  14   1.695   7.840 -14.876
  145   2H5*    A  14          2H5*        A  14   2.465   8.920 -13.697
  146    H4*    A  14           H4*        A  14   3.737   6.533 -15.092
  147    H3*    A  14           H3*        A  14   2.295   6.809 -12.577
  148    H2*    A  14           H2*        A  14   3.995   6.762 -11.045
  149   2HO*    A  14          2HO*        A  14   5.828   5.304 -12.555
  150    H1*    A  14           H1*        A  14   6.295   7.294 -12.468
  151    H8     A  14           H8         A  14   4.216  10.164 -13.257
  152   1H6     A  14          1H6         A  14   4.407  12.698  -9.148
  153   2H6     A  14          2H6         A  14   4.995  12.322  -7.544
  154    H2     A  14           H2         A  14   6.448   8.070  -7.657
  155   1H5*    A  15          1H5*        A  15   0.422   5.963 -12.167
  156   2H5*    A  15          2H5*        A  15   1.670   4.772 -11.731
  157    H4*    A  15           H4*        A  15  -1.128   3.757 -11.801
  158    H3*    A  15           H3*        A  15  -1.016   6.183 -10.589
  159    H2*    A  15           H2*        A  15   0.981   5.737  -9.313
  160   2HO*    A  15          2HO*        A  15   0.161   6.066  -7.380
  161    H1*    A  15           H1*        A  15  -0.153   3.080  -8.458
  162    H8     A  15           H8         A  15   3.112   4.038 -10.319
  163   1H6     A  15          1H6         A  15   6.232   2.608  -6.932
  164   2H6     A  15          2H6         A  15   6.036   2.005  -5.301
  165    H2     A  15           H2         A  15   1.619   1.867  -4.484
  166   1H5*    G  16          1H5*        G  16  -5.517   2.603  -9.080
  167   2H5*    G  16          2H5*        G  16  -4.496   3.656  -8.081
  168    H4*    G  16           H4*        G  16  -2.640   2.643  -9.810
  169    H3*    G  16           H3*        G  16  -4.866   0.905 -10.225
  170    H2*    G  16           H2*        G  16  -4.628  -0.275  -8.193
  171   2HO*    G  16          2HO*        G  16  -2.314  -1.490  -9.150
  172    H1*    G  16           H1*        G  16  -1.636   0.223  -8.256
  173    H8     G  16           H8         G  16  -4.813   0.033  -6.065
  174    H1     G  16           H1         G  16   0.591  -1.460  -3.032
  175   1H2     G  16          1H2         G  16   2.149  -0.547  -6.014
  176   2H2     G  16          2H2         G  16   2.327  -1.131  -4.375
  177   1H5*    U  17          1H5*        U  17  -1.677   0.234 -15.033
  178   2H5*    U  17          2H5*        U  17  -1.186  -0.623 -13.558
  179    H4*    U  17           H4*        U  17  -0.011   1.888 -14.774
  180    H3*    U  17           H3*        U  17   0.940  -0.884 -14.041
  181    H2*    U  17           H2*        U  17   2.910  -0.090 -13.115
  182   2HO*    U  17          2HO*        U  17   3.638   2.135 -13.982
  183    H1*    U  17           H1*        U  17   2.124   2.649 -12.698
  184    H3     U  17           H3         U  17   4.658   0.681  -9.309
  185    H5     U  17           H5         U  17   0.592   0.177  -8.359
  186    H6     U  17           H6         U  17   0.049   0.919 -10.605
  187   1H5*    A  18          1H5*        A  18   3.967  -2.699 -16.067
  188   2H5*    A  18          2H5*        A  18   3.524  -2.858 -14.356
  189    H4*    A  18           H4*        A  18   6.166  -1.987 -15.553
  190    H3*    A  18           H3*        A  18   5.160  -4.218 -13.776
  191    H2*    A  18           H2*        A  18   7.140  -4.171 -12.486
  192   2HO*    A  18          2HO*        A  18   8.920  -2.710 -13.307
  193    H1*    A  18           H1*        A  18   7.489  -1.465 -12.347
  194    H8     A  18           H8         A  18   3.814  -2.028 -12.016
  195   1H6     A  18          1H6         A  18   3.559  -3.319  -7.364
  196   2H6     A  18          2H6         A  18   4.772  -3.703  -6.164
  197    H2     A  18           H2         A  18   8.760  -3.417  -8.198
  198   1H5*    G  19          1H5*        G  19   8.572  -5.045 -14.436
  199   2H5*    G  19          2H5*        G  19   9.237  -6.677 -14.650
  200    H4*    G  19           H4*        G  19   9.883  -5.818 -12.452
  201    H3*    G  19           H3*        G  19   7.818  -8.037 -12.541
  202    H2*    G  19           H2*        G  19   7.805  -8.091 -10.166
  203   2HO*    G  19          2HO*        G  19   9.735  -6.117  -9.804
  204    H1*    G  19           H1*        G  19   7.784  -5.403  -9.774
  205    H8     G  19           H8         G  19   5.598  -6.119 -12.738
  206    H1     G  19           H1         G  19   2.731  -7.343  -7.170
  207   1H2     G  19          1H2         G  19   5.899  -6.886  -5.798
  208   2H2     G  19          2H2         G  19   4.210  -7.252  -5.524
  209   1H5*    G  20          1H5*        G  20  10.517 -10.743 -10.195
  210   2H5*    G  20          2H5*        G  20   9.241  -9.638 -10.739
  211    H4*    G  20           H4*        G  20   9.985  -9.601  -7.827
  212    H3*    G  20           H3*        G  20   8.695 -11.906  -9.290
  213    H2*    G  20           H2*        G  20   6.879 -11.917  -7.906
  214   2HO*    G  20          2HO*        G  20   7.265 -11.186  -5.587
  215    H1*    G  20           H1*        G  20   7.309  -9.326  -6.649
  216    H8     G  20           H8         G  20   5.961  -9.043 -10.072
  217    H1     G  20           H1         G  20   1.406 -10.741  -5.957
  218   1H2     G  20          1H2         G  20   4.041 -11.298  -3.746
  219   2H2     G  20          2H2         G  20   2.316 -11.349  -4.029
  220   1H5*    C  21          1H5*        C  21   8.459 -15.720  -6.503
  221   2H5*    C  21          2H5*        C  21   6.924 -15.243  -7.257
  222    H4*    C  21           H4*        C  21   7.759 -15.020  -4.356
  223    H3*    C  21           H3*        C  21   5.639 -16.446  -5.946
  224    H2*    C  21           H2*        C  21   3.963 -15.999  -4.313
  225   2HO*    C  21          2HO*        C  21   5.937 -16.343  -2.649
  226    H1*    C  21           H1*        C  21   4.661 -13.471  -3.662
  227   1H4     C  21          1H4         C  21   1.396 -12.235  -9.118
  228   2H4     C  21          2H4         C  21   0.151 -12.937  -8.107
  229    H5     C  21           H5         C  21   3.736 -12.252  -8.523
  230    H6     C  21           H6         C  21   5.365 -12.863  -6.834
  231   1H5*    C  22          1H5*        C  22   4.954 -18.159  -3.054
  232   2H5*    C  22          2H5*        C  22   4.829 -19.921  -2.884
  233    H4*    C  22           H4*        C  22   2.587 -19.062  -2.852
  234    H3*    C  22           H3*        C  22   3.477 -20.383  -5.405
  235    H2*    C  22           H2*        C  22   1.708 -19.590  -6.599
  236   2HO*    C  22          2HO*        C  22   0.150 -19.939  -4.229
  237    H1*    C  22           H1*        C  22   0.722 -17.744  -4.518
  238   1H4     C  22          1H4         C  22   2.013 -14.369 -10.042
  239   2H4     C  22          2H4         C  22   0.325 -14.807 -10.186
  240    H5     C  22           H5         C  22   3.433 -15.151  -8.257
  241    H6     C  22           H6         C  22   3.537 -16.510  -6.242
  242    H3T    C  22           H3T        C  22   1.425 -20.979  -3.507