*HEADER    RNA                                     30-MAR-07   2PCW              
*TITLE     SOLUTION STRUCTURE OF AN RRNA SUBSTRATE BOUND TO THE                  
*TITLE    2 PSEUDOURIDYLATION POCKET OF A BOX H/ACA SNORNA                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U65 BOX H/ACA SNORNA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RNA HAIRPIN CONTAINING THE 5' PSEUDOURIDYLATION            
*COMPND   5 POCKET;                                                              
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: RRNA SUBSTRATE OF U65 BOX H/ACA SNORNA;                    
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: RRNA SUBSTRATE OF THE 5' PSEUDOURIDYLATION                 
*COMPND  11 POCKET OF U65 BOX H/ACA SNORNA;                                      
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED BY IN-VITRO TRANSCRIPTION USING           
*SOURCE   4 T7 RNA POLYMERASE FROM LINEARZED PLSMID DNA. THIS SEQUENCE           
*SOURCE   5 OCCURS NATURALLY IN HUMANS.;                                         
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES;                                                      
*SOURCE   8 OTHER_DETAILS: CHEMICALLY SYNTHESIZED. THIS SEQUENCE                 
*SOURCE   9 OCCURS NATURALLY IN HUMANS.                                          
*KEYWDS    BOX H/ACA SNORNA, PSEUDOURIDYLATION POCKET, RRNA                      
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    H.JIN, J.P.LORIA, P.B.MOORE                                           
*REVDAT   1   08-MAY-07 2PCW    0                                                


Distance restraints

assign (resid 1  and  name H1' ) (resid 1  and  name H8  ) 4.00 1.35 1.50
assign (resid 1  and  name H1' ) (resid 2  and  name H8  ) 4.00 1.35 1.50
assign (resid 1  and  name H2' ) (resid 1  and  name H8  ) 4.00 1.35 1.50
assign (resid 1  and  name H2' ) (resid 2  and  name H8  ) 2.90 0.90 0.90
assign (resid 1  and  name H3' ) (resid 1  and  name H8  ) 4.00 1.35 1.50
assign (resid 1  and  name H3' ) (resid 2  and  name H8  ) 4.00 1.35 1.50
assign (resid 2  and  name H1' ) (resid 2  and  name H8  ) 4.00 1.35 1.50
assign (resid 2  and  name H1' ) (resid 3  and  name H8  ) 4.00 1.35 1.50
assign (resid 2  and  name H2' ) (resid 2  and  name H8  ) 4.00 1.35 1.50
assign (resid 2  and  name H2' ) (resid 3  and  name H8  ) 2.90 0.90 0.90
assign (resid 2  and  name H3' ) (resid 2  and  name H8  ) 4.00 1.35 1.50
assign (resid 2  and  name H3' ) (resid 3  and  name H8  ) 4.00 1.35 1.50
assign (resid 3  and  name H1' ) (resid 3  and  name H8  ) 4.00 1.35 1.50
assign (resid 3  and  name H1' ) (resid 4  and  name H6  ) 4.00 1.35 1.50
assign (resid 3  and  name H2' ) (resid 3  and  name H8  ) 4.00 1.35 1.50
assign (resid 3  and  name H2' ) (resid 4  and  name H6  ) 2.90 0.90 0.90
assign (resid 3  and  name H3' ) (resid 3  and  name H8  ) 4.00 1.35 1.50
assign (resid 3  and  name H3' ) (resid 4  and  name H6  ) 4.00 1.35 1.50
assign (resid 4  and  name H1' ) (resid 4  and  name H6  ) 4.00 1.35 1.50
assign (resid 4  and  name H1' ) (resid 5  and  name H6  ) 4.00 1.35 1.50
assign (resid 4  and  name H2' ) (resid 4  and  name H6  ) 4.00 1.35 1.50
assign (resid 4  and  name H2' ) (resid 5  and  name H6  ) 2.90 0.90 0.90
assign (resid 4  and  name H3' ) (resid 4  and  name H6  ) 4.00 1.35 1.50
assign (resid 4  and  name H3' ) (resid 5  and  name H6  ) 4.00 1.35 1.50
assign (resid 5  and  name H1' ) (resid 5  and  name H6  ) 4.00 1.35 1.50
assign (resid 5  and  name H1' ) (resid 6  and  name H6  ) 4.50 1.50 1.50
assign (resid 5  and  name H2' ) (resid 5  and  name H6  ) 2.90 0.90 0.90
assign (resid 5  and  name H2' ) (resid 6  and  name H6  ) 4.00 1.35 1.50
assign (resid 5  and  name H3' ) (resid 5  and  name H6  ) 4.00 1.35 1.50
assign (resid 5  and  name H3' ) (resid 6  and  name H6  ) 4.00 1.35 1.50
assign (resid 6  and  name H1' ) (resid 6  and  name H6  ) 4.00 1.35 1.50
assign (resid 6  and  name H1' ) (resid 7  and  name H8  ) 4.00 1.35 1.50
assign (resid 6  and  name H2' ) (resid 6  and  name H6  ) 2.90 0.90 0.90
assign (resid 6  and  name H2' ) (resid 7  and  name H8  ) 2.90 0.90 0.90
assign (resid 6  and  name H3' ) (resid 6  and  name H6  ) 4.00 1.35 1.50 
assign (resid 6  and  name H3' ) (resid 7  and  name H8  ) 4.00 1.35 1.50
assign (resid 7  and  name H1' ) (resid 7  and  name H8  ) 4.00 1.35 1.50
assign (resid 7  and  name H1' ) (resid 8  and  name H6  ) 4.00 1.35 1.50
assign (resid 7  and  name H2' ) (resid 7  and  name H8  ) 4.00 1.35 1.50
assign (resid 7  and  name H2' ) (resid 8  and  name H6  ) 2.90 0.90 0.90
assign (resid 7  and  name H3' ) (resid 7  and  name H8  ) 4.00 1.35 1.50
assign (resid 7  and  name H3' ) (resid 8  and  name H6  ) 4.00 1.35 1.50
assign (resid 8  and  name H1' ) (resid 8  and  name H6  ) 4.00 1.35 1.50
assign (resid 8  and  name H1' ) (resid 9  and  name H6  ) 4.00 1.35 1.50
assign (resid 8  and  name H2'  ) (resid 8  and  name H6  ) 4.00 1.35 1.50
assign (resid 8  and  name H2' ) (resid 9  and  name H6  ) 2.90 0.90 0.90
assign (resid 8  and  name H3' ) (resid 8  and  name H6  ) 4.00 1.35 1.50
assign (resid 8  and  name H3' ) (resid 9  and  name H6  ) 4.00 1.35 1.50
assign (resid 9  and  name H1' ) (resid 9  and  name H6  ) 4.00 1.35 1.50
assign (resid 9  and  name H1' ) (resid 10  and  name H8  ) 4.00 1.35 1.50
assign (resid 9  and  name H2' ) (resid 9  and  name H6  ) 4.00 1.35 1.50
assign (resid 9  and  name H2' ) (resid 10  and  name H8  ) 2.90 0.90 0.90
assign (resid 9  and  name H3' ) (resid 9  and  name H6  ) 4.00 1.35 1.50
assign (resid 9  and  name H3' ) (resid 10  and  name H8  ) 4.00 1.35 1.50
assign (resid 10  and  name H1' ) (resid 10  and  name H8  ) 4.00 1.35 1.50
assign (resid 10  and  name H1' ) (resid 11  and  name H6  ) 4.00 1.35 1.50
assign (resid 10  and  name H2' ) (resid 10  and  name H8  ) 4.00 1.35 1.50
assign (resid 10  and  name H2' ) (resid 11  and  name H6  ) 2.90 0.90 0.90
assign (resid 10  and  name H3' ) (resid 10  and  name H8  ) 4.00 1.35 1.50
assign (resid 10  and  name H3' ) (resid 11  and  name H6  ) 4.00 1.35 1.50
assign (resid 11  and  name H1' ) (resid 11  and  name H6  ) 4.50 1.50 1.50
assign (resid 11  and  name H1' ) (resid 12  and  name H6  ) 4.50 1.50 1.50
assign (resid 11  and  name H2' ) (resid 11  and  name H6  ) 4.50 1.50 1.50
assign (resid 11  and  name H2' ) (resid 12  and  name H6  ) 2.90 0.90 0.90
assign (resid 11  and  name H3' ) (resid 11  and  name H6  ) 4.50 1.50 1.50
assign (resid 11  and  name H3' ) (resid 12  and  name H6  ) 4.50 1.50 1.50
assign (resid 12  and  name H1' ) (resid 12  and  name H6  ) 4.50 1.50 1.50
assign (resid 12  and  name H1' ) (resid 13  and  name H8  ) 4.00 1.35 1.50
assign (resid 12  and  name H2' ) (resid 13  and  name H8  ) 2.90 0.90 0.90
assign (resid 12  and  name H3' ) (resid 12  and  name H6  ) 4.00 1.35 1.50
assign (resid 12  and  name H3' ) (resid 13  and  name H8  ) 4.00 1.35 1.50
assign (resid 13  and  name H1' ) (resid 13  and  name H8  ) 4.00 1.35 1.50
assign (resid 13  and  name H1' ) (resid 14  and  name H6  ) 4.00 1.35 1.50
assign (resid 13  and  name H2' ) (resid 13  and  name H8  ) 4.00 1.35 1.50
assign (resid 13  and  name H2' ) (resid 14  and  name H6  ) 2.90 0.90 0.90
assign (resid 13  and  name H3' ) (resid 13  and  name H8  ) 4.00 1.35 1.50
assign (resid 13  and  name H3' ) (resid 14  and  name H8  ) 4.00 1.35 1.50
assign (resid 14  and  name H1' ) (resid 14  and  name H6  ) 4.00 1.35 1.50
assign (resid 14  and  name H1' ) (resid 15  and  name H8  ) 4.00 1.35 1.50
assign (resid 14  and  name H2' ) (resid 14  and  name H6  ) 4.00 1.35 1.50 
assign (resid 14  and  name H2' ) (resid 15  and  name H8  ) 2.90 0.90 0.90
assign (resid 14  and  name H3' ) (resid 14  and  name H6  ) 4.00 1.35 1.50
assign (resid 14  and  name H3' ) (resid 15  and  name H8  ) 4.00 1.35 1.50
assign (resid 15  and  name H1' ) (resid 15  and  name H8  ) 4.00 1.35 1.50
assign (resid 15  and  name H1' ) (resid 16  and  name H8  ) 4.00 1.35 1.50
assign (resid 15  and  name H2' ) (resid 15  and  name H8  ) 4.00 1.35 1.50
assign (resid 15  and  name H2' ) (resid 16  and  name H8  ) 2.90 0.90 0.90
assign (resid 15  and  name H3' ) (resid 15  and  name H8  ) 4.00 1.35 1.50
assign (resid 15  and  name H3' ) (resid 16  and  name H8  ) 4.00 1.35 1.50
assign (resid 16  and  name H1' ) (resid 16  and  name H8  ) 4.00 1.35 1.50
assign (resid 16  and  name H1' ) (resid 17  and  name H8  ) 4.50 1.50 1.50
assign (resid 16  and  name H2' ) (resid 16  and  name H8  ) 4.00 1.35 1.50
assign (resid 16  and  name H2' ) (resid 17  and  name H8  ) 4.00 1.35 1.50
assign (resid 16  and  name H3' ) (resid 16  and  name H8  ) 2.90 0.90 0.90
assign (resid 16  and  name H3' ) (resid 17  and  name H8  ) 4.50 1.50 1.50
assign (resid 17  and  name H1' ) (resid 17  and  name H8  ) 4.00 1.35 1.50
assign (resid 17  and  name H1' ) (resid 18  and  name H8  ) 4.00 1.35 1.50
assign (resid 17  and  name H2' ) (resid 17  and  name H8  ) 4.00 1.35 1.50
assign (resid 17  and  name H2' ) (resid 18  and  name H8  ) 2.90 0.90 0.90
assign (resid 17  and  name H3' ) (resid 17  and  name H8  ) 4.00 1.35 1.50
assign (resid 17  and  name H3' ) (resid 18  and  name H8  ) 2.90 0.90 0.90
assign (resid 18  and  name H1' ) (resid 18  and  name H8  ) 4.00 1.35 1.50
assign (resid 18  and  name H1' ) (resid 19  and  name H8  ) 4.00 1.35 1.50
assign (resid 18  and  name H2' ) (resid 18  and  name H8  ) 4.00 1.35 1.50
assign (resid 18  and  name H2' ) (resid 19  and  name H8  ) 2.90 0.90 0.90
assign (resid 18  and  name H3' ) (resid 18  and  name H8  ) 4.00 1.35 1.50
assign (resid 18  and  name H3' ) (resid 19  and  name H8  ) 4.00 1.35 1.50
assign (resid 19  and  name H1' ) (resid 19  and  name H8  ) 4.00 1.35 1.50
assign (resid 19  and  name H1' ) (resid 20  and  name H6  ) 4.50 1.50 1.50
assign (resid 19  and  name H8  ) (resid 20  and  name H1' ) 4.00 1.35 1.50
assign (resid 19  and  name H2' ) (resid 19  and  name H8  ) 2.90 0.90 0.90
assign (resid 19  and  name H2' ) (resid 20  and  name H6  ) 4.00 1.35 1.50
assign (resid 19  and  name H3' ) (resid 19  and  name H8  ) 2.90 0.90 0.90
assign (resid 19  and  name H3' ) (resid 20  and  name H6  ) 4.00 1.35 1.50
assign (resid 20  and  name H1' ) (resid 20  and  name H6  ) 4.00 1.35 1.50
assign (resid 20  and  name H1' ) (resid 21  and  name H8  ) 4.00 1.35 1.50
assign (resid 20  and  name H2' ) (resid 21  and  name H8  ) 2.90 0.90 0.90
assign (resid 20  and  name H3' ) (resid 20  and  name H6  ) 4.00 1.35 1.50
assign (resid 20  and  name H3' ) (resid 21  and  name H8  ) 4.00 1.35 1.50
assign (resid 21  and  name H1' ) (resid 21  and  name H8  ) 4.00 1.35 1.50
assign (resid 21  and  name H1' ) (resid 22  and  name H6  ) 4.00 1.35 1.50
assign (resid 21  and  name H2' ) (resid 21  and  name H8  ) 4.00 1.35 1.50
assign (resid 21  and  name H2' ) (resid 22  and  name H6  ) 2.90 0.90 0.90
assign (resid 21  and  name H3' ) (resid 21  and  name H8  ) 4.00 1.35 1.50
assign (resid 21  and  name H3' ) (resid 22  and  name H6  ) 4.00 1.35 1.50
assign (resid 22  and  name H1' ) (resid 22  and  name H6  ) 4.00 1.35 1.50
assign (resid 22  and  name H1' ) (resid 23  and  name H8  ) 4.00 1.35 1.50
assign (resid 22  and  name H2' ) (resid 22  and  name H6  ) 4.00 1.35 1.50
assign (resid 22  and  name H2' ) (resid 23  and  name H8  ) 2.90 0.90 0.90
assign (resid 22  and  name H3' ) (resid 22  and  name H6  ) 4.00 1.35 1.50
assign (resid 22  and  name H3' ) (resid 23  and  name H8  ) 4.50 1.50 1.50
assign (resid 23  and  name H1' ) (resid 23  and  name H8  ) 4.00 1.35 1.50
assign (resid 23  and  name H2' ) (resid 23  and  name H8  ) 2.90 0.90 0.90
assign (resid 24  and  name H1' ) (resid 24  and  name H8  ) 4.50 1.50 1.50
assign (resid 24  and  name H1' ) (resid 25  and  name H6  ) 4.00 1.35 1.50
assign (resid 24  and  name H2' ) (resid 24  and  name H8  ) 4.00 1.35 1.50
assign (resid 24  and  name H2' ) (resid 25  and  name H6  ) 2.90 0.90 0.90
assign (resid 24  and  name H3' ) (resid 24  and  name H8  ) 4.00 1.35 1.50
assign (resid 24  and  name H3' ) (resid 25  and  name H6  ) 4.00 1.35 1.50
assign (resid 25  and  name H1' ) (resid 25  and  name H6  ) 4.00 1.35 1.50
assign (resid 25  and  name H1' ) (resid 26  and  name H6  ) 4.00 1.35 1.50
assign (resid 25  and  name H2' ) (resid 25  and  name H6  ) 4.00 1.35 1.50
assign (resid 25  and  name H2' ) (resid 26  and  name H6  ) 2.90 0.90 0.90
assign (resid 25  and  name H3' ) (resid 25  and  name H6  ) 4.00 1.35 1.50
assign (resid 25  and  name H3' ) (resid 26  and  name H6  ) 4.00 1.35 1.50
assign (resid 26  and  name H1' ) (resid 26  and  name H6  ) 4.00 1.35 1.50
assign (resid 26  and  name H1' ) (resid 27  and  name H6  ) 4.00 1.35 1.50
assign (resid 26  and  name H2' ) (resid 26  and  name H6  ) 4.00 1.35 1.50
assign (resid 26  and  name H2' ) (resid 27  and  name H6  ) 2.90 0.90 0.90
assign (resid 26  and  name H3' ) (resid 26  and  name H6  ) 4.00 1.35 1.50
assign (resid 26  and  name H3' ) (resid 27  and  name H6  ) 4.00 1.35 1.50
assign (resid 27  and  name H1' ) (resid 27  and  name H6  ) 4.00 1.35 1.50
assign (resid 27  and  name H2' ) (resid 27  and  name H6  ) 4.00 1.35 1.50
assign (resid 27  and  name H2' ) (resid 28  and  name H8  ) 2.90 0.90 0.90
assign (resid 27  and  name H3' ) (resid 27  and  name H6  ) 4.00 1.35 1.50
assign (resid 27  and  name H3' ) (resid 28  and  name H8  ) 4.00 1.35 1.50
assign (resid 28  and  name H1' ) (resid 28  and  name H8  ) 4.00 1.35 1.50
assign (resid 29  and  name H1' ) (resid 29  and  name H8  ) 4.00 1.35 1.50
assign (resid 29  and  name H1' ) (resid 30  and  name H6  ) 4.50 1.50 1.50
assign (resid 29  and  name H2' ) (resid 29  and  name H8  ) 2.90 0.90 0.90
assign (resid 29  and  name H2' ) (resid 30  and  name H6  ) 4.00 1.35 1.50
assign (resid 29  and  name H3' ) (resid 29  and  name H8  ) 4.00 1.35 1.50
assign (resid 29  and  name H3' ) (resid 30  and  name H6  ) 4.00 1.35 1.50
assign (resid 30  and  name H1' ) (resid 30  and  name H6  ) 4.00 1.35 1.50
assign (resid 30  and  name H1' ) (resid 31  and  name H8  ) 4.00 1.35 1.50
assign (resid 30  and  name H2' ) (resid 30  and  name H6  ) 4.00 1.35 1.50
assign (resid 30  and  name H2' ) (resid 31  and  name H8  ) 4.00 1.35 1.50
assign (resid 30  and  name H3' ) (resid 30  and  name H6  ) 4.00 1.35 1.50
assign (resid 30  and  name H3' ) (resid 31  and  name H8  ) 4.50 1.50 1.50
assign (resid 31  and  name H1' ) (resid 31  and  name H8  ) 4.00 1.35 1.50
assign (resid 31  and  name H1' ) (resid 32  and  name H8  ) 4.50 1.50 1.50
assign (resid 31  and  name H2' ) (resid 32  and  name H8  ) 2.90 0.90 0.90
assign (resid 31  and  name H3' ) (resid 31  and  name H8  ) 4.00 1.35 1.50
assign (resid 31  and  name H3' ) (resid 32  and  name H8  ) 4.00 1.35 1.50
assign (resid 32  and  name H1' ) (resid 32  and  name H8  ) 4.00 1.35 1.50
assign (resid 32  and  name H1' ) (resid 33  and  name H6  ) 4.00 1.35 1.50
assign (resid 32  and  name H2' ) (resid 32  and  name H8  ) 4.00 1.35 1.50 
assign (resid 32  and  name H2' ) (resid 33  and  name H6  ) 2.90 0.90 0.90
assign (resid 32  and  name H3' ) (resid 32  and  name H8  ) 4.00 1.35 1.50
assign (resid 32  and  name H3' ) (resid 33  and  name H6  ) 4.00 1.35 1.50
assign (resid 33  and  name H1' ) (resid 33  and  name H6  ) 4.00 1.35 1.50 
assign (resid 33  and  name H1' ) (resid 34  and  name H6  ) 4.00 1.35 1.50
assign (resid 33  and  name H2' ) (resid 33  and  name H6  ) 4.00 1.35 1.50
assign (resid 33  and  name H2' ) (resid 34  and  name H6  ) 2.90 0.90 0.90
assign (resid 33  and  name H3' ) (resid 33  and  name H6  ) 4.00 1.35 1.50
assign (resid 33  and  name H3' ) (resid 34  and  name H6  ) 4.00 1.35 1.50
assign (resid 34  and  name H1' ) (resid 34  and  name H6  ) 4.00 1.35 1.50
assign (resid 34  and  name H1' ) (resid 35  and  name H6  ) 4.00 1.35 1.50
assign (resid 34  and  name H2' ) (resid 34  and  name H6  ) 4.00 1.35 1.50
assign (resid 34  and  name H2' ) (resid 35  and  name H6  ) 2.90 0.90 0.90
assign (resid 34  and  name H3' ) (resid 34  and  name H6  ) 4.00 1.35 1.50
assign (resid 34  and  name H3' ) (resid 35  and  name H6  ) 4.00 1.35 1.50
assign (resid 35  and  name H1' ) (resid 35  and  name H6  ) 4.00 1.35 1.50
assign (resid 35  and  name H2' ) (resid 35  and  name H6  ) 4.00 1.35 1.50
assign (resid 35  and  name H3' ) (resid 35  and  name H6  ) 4.00 1.35 1.50
assign (resid 37  and  name H1' ) (resid 37  and  name H6  ) 4.00 1.35 1.50
assign (resid 37  and  name H1' ) (resid 38  and  name H6  ) 4.00 1.35 1.50
assign (resid 37  and  name H2' ) (resid 37  and  name H6  ) 4.00 1.35 1.50
assign (resid 37  and  name H2' ) (resid 38  and  name H6  ) 2.90 0.90 0.90
assign (resid 37  and  name H3' ) (resid 37  and  name H6  ) 4.00 1.35 1.50
assign (resid 37  and  name H3' ) (resid 38  and  name H6  ) 4.00 1.35 1.50 
assign (resid 38  and  name H1' ) (resid 38  and  name H6  ) 4.00 1.35 1.50
assign (resid 38  and  name H1' ) (resid 39  and  name H8  ) 4.00 1.35 1.50
assign (resid 38  and  name H2' ) (resid 38  and  name H6  ) 4.00 1.35 1.50
assign (resid 38  and  name H2' ) (resid 39  and  name H8  ) 2.90 0.90 0.90
assign (resid 38  and  name H3' ) (resid 38  and  name H6  ) 4.00 1.35 1.50
assign (resid 38  and  name H3' ) (resid 39  and  name H8  ) 4.00 1.35 1.50
assign (resid 39  and  name H1' ) (resid 39  and  name H8  ) 4.00 1.35 1.50
assign (resid 39  and  name H1' ) (resid 40  and  name H8  ) 4.00 1.35 1.50
assign (resid 39  and  name H2' ) (resid 39  and  name H8  ) 4.00 1.35 1.50
assign (resid 39  and  name H3' ) (resid 39  and  name H8  ) 4.00 1.35 1.50
assign (resid 39  and  name H3' ) (resid 40  and  name H8  ) 4.00 1.35 1.50
assign (resid 40  and  name H1' ) (resid 40  and  name H8  ) 4.00 1.35 1.50
assign (resid 40  and  name H1' ) (resid 41  and  name H6  ) 4.00 1.35 1.50
assign (resid 40  and  name H2' ) (resid 40  and  name H8  ) 4.00 1.35 1.50
assign (resid 40  and  name H2' ) (resid 41  and  name H6  ) 4.00 1.35 1.50
assign (resid 40  and  name H3' ) (resid 40  and  name H8  ) 4.00 1.35 1.50
assign (resid 40  and  name H3' ) (resid 41  and  name H6  ) 4.00 1.35 1.50
assign (resid 41  and  name H1' ) (resid 41  and  name H6  ) 4.00 1.35 1.50
assign (resid 41  and  name H2' ) (resid 41  and  name H6  ) 4.00 1.35 1.50
assign (resid 42  and  name H3' ) (resid 42  and  name H6  ) 2.90 0.90 0.90
assign (resid 42  and  name H2' ) (resid 43  and  name H6  ) 2.90 0.90 0.90
assign (resid 43  and  name H1' ) (resid 44  and  name H8  ) 4.00 1.35 1.50
assign (resid 43  and  name H2' ) (resid 44  and  name H8  ) 4.00 1.35 1.50
assign (resid 44  and  name H1' ) (resid 44  and  name H8  ) 4.00 1.35 1.50
assign (resid 44  and  name H1' ) (resid 45  and  name H6  ) 4.00 1.35 1.50
assign (resid 44  and  name H2' ) (resid 44  and  name H8  ) 2.90 0.90 0.90
assign (resid 44  and  name H2' ) (resid 45  and  name H6  ) 4.00 1.35 1.50
assign (resid 45  and  name H1' ) (resid 45  and  name H6  ) 4.00 1.35 1.50
assign (resid 45  and  name H1' ) (resid 46  and  name H8  ) 4.00 1.35 1.50
assign (resid 45  and  name H2' ) (resid 45  and  name H6  ) 2.90 0.90 0.90
assign (resid 45  and  name H2' ) (resid 46  and  name H8  ) 4.00 1.35 1.50
assign (resid 46  and  name H1' ) (resid 46  and  name H8  ) 4.00 1.35 1.50
assign (resid 46  and  name H1' ) (resid 47  and  name H8  ) 4.00 1.35 1.50
assign (resid 46  and  name H2' ) (resid 46  and  name H8  ) 2.90 0.90 0.90
assign (resid 46  and  name H2' ) (resid 47  and  name H8  ) 2.90 0.90 0.90
assign (resid 46  and  name H3' ) (resid 46  and  name H8  ) 4.00 1.35 1.50
assign (resid 46  and  name H3' ) (resid 47  and  name H8  ) 4.00 1.35 1.50
assign (resid 47  and  name H1' ) (resid 47  and  name H8  ) 4.00 1.35 1.50
assign (resid 47  and  name H1' ) (resid 48  and  name H6  ) 4.00 1.35 1.50
assign (resid 47  and  name H2' ) (resid 47  and  name H8  ) 4.00 1.35 1.50
assign (resid 47  and  name H2' ) (resid 48  and  name H6  ) 2.90 0.90 0.90
assign (resid 47  and  name H3' ) (resid 47  and  name H8  ) 4.00 1.35 1.50
assign (resid 47  and  name H3' ) (resid 48  and  name H6  ) 4.00 1.35 1.50
assign (resid 48  and  name H1' ) (resid 48  and  name H6  ) 4.00 1.35 1.50
assign (resid 48  and  name H1' ) (resid 49  and  name H8  ) 4.00 1.35 1.50
assign (resid 48  and  name H2' ) (resid 48  and  name H6  ) 4.00 1.35 1.50
assign (resid 48  and  name H2' ) (resid 49  and  name H8  ) 2.90 0.90 0.90
assign (resid 48  and  name H3' ) (resid 48  and  name H6  ) 4.00 1.35 1.50
assign (resid 48  and  name H3' ) (resid 49  and  name H8  ) 4.00 1.35 1.50
assign (resid 49  and  name H1' ) (resid 49  and  name H8  ) 4.00 1.35 1.50
assign (resid 49  and  name H2' ) (resid 49  and  name H8  ) 4.00 1.35 1.50
assign (resid 49  and  name H3' ) (resid 49  and  name H8  ) 4.00 1.35 1.50
assign (resid 3  and  name H8 ) (resid 4  and  name H5  ) 4.00 1.35 1.50
assign (resid 4  and  name H6 ) (resid 5  and  name H5  ) 4.50 1.50 1.50
assign (resid 5  and  name H6 ) (resid 6  and  name H5  ) 4.50 1.50 1.50
assign (resid 7  and  name H8 ) (resid 8  and  name H5  ) 4.50 1.50 1.50
assign (resid 8  and  name H6 ) (resid 9  and  name H5  ) 4.50 1.50 1.50
assign (resid 10  and  name H8 ) (resid 9  and  name H5  ) 4.50 1.50 1.50
assign (resid 10  and  name H8 ) (resid 11  and  name H5  ) 4.50 1.50 1.50
assign (resid 11  and  name H6 ) (resid 12  and  name H5  ) 4.50 1.50 1.50
assign (resid 13  and  name H8 ) (resid 14  and  name H5  ) 4.50 1.50 1.50
assign (resid 19  and  name H8 ) (resid 20  and  name H5  ) 4.50 1.50 1.50
assign (resid 24  and  name H8 ) (resid 25  and  name H5  ) 4.50 1.50 1.50
assign (resid 25  and  name H6 ) (resid 26  and  name H5  ) 4.50 1.50 1.50
assign (resid 32  and  name H8 ) (resid 33  and  name H5  ) 4.50 1.50 1.50
assign (resid 33  and  name H6 ) (resid 34  and  name H5  ) 4.50 1.50 1.50
assign (resid 34  and  name H6 ) (resid 35  and  name H5  ) 4.50 1.50 1.50
assign (resid 37  and  name H6 ) (resid 38  and  name H5  ) 4.50 1.50 1.50
assign (resid 40  and  name H6 ) (resid 41  and  name H5  ) 4.50 1.50 1.50
assign (resid 44  and  name H8 ) (resid 45  and  name H5  ) 4.50 1.50 1.50
assign (resid 47  and  name H8 ) (resid 48  and  name H5  ) 4.50 1.50 1.50
assign (resid 20  and  name H1' ) (resid 20  and  name H2'  ) 2.90 0.90 0.90
assign (resid 20  and  name H1' ) (resid 20  and  name H3'  ) 4.00 1.35 1.50
assign (resid 25  and  name H5 ) (resid 24  and  name H2'  ) 4.50 1.50 1.50
assign (resid 25  and  name H5 ) (resid 24  and  name H3'  ) 4.50 1.50 1.50
assign (resid 37  and  name H5 ) (resid 36  and  name H3'  ) 4.00 1.35 1.50
assign (resid 37  and  name H5 ) (resid 36  and  name H2'  ) 4.50 1.50 1.50
assign (resid 33  and  name H5 ) (resid 32  and  name H2'  ) 4.00 1.35 1.50
assign (resid 33  and  name H5 ) (resid 32  and  name H3'  ) 4.50 1.50 1.50
assign (resid 18  and  name H1' ) (resid 18  and  name H2'  ) 2.90 0.90 0.90
assign (resid 18  and  name H1' ) (resid 18  and  name H3'  ) 4.00 1.35 1.50
assign (resid 11  and  name H5 ) (resid 10  and  name H2'  ) 4.00 1.35 1.50
assign (resid 11  and  name H5 ) (resid 11  and  name H2'  ) 4.50 1.50 1.50
assign (resid 11  and  name H5 ) (resid 10  and  name H3'  ) 4.50 1.50 1.50
assign (resid 48  and  name H5 ) (resid 47  and  name H2'  ) 4.00 1.35 1.50
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assign (resid 4  and  name H5 ) (resid 3  and  name H2'  ) 4.00 1.35 1.50
assign (resid 4  and  name H5 ) (resid 3  and  name H3'  ) 4.50 1.50 1.50
assign (resid 11  and  name H1' ) (resid 11  and  name H2'  ) 2.90 0.90 0.90
assign (resid 11  and  name H1' ) (resid 11  and  name H3'  ) 4.00 1.35 1.50
assign (resid 22  and  name H5 ) (resid 21  and  name H2'  ) 4.00 1.35 1.50
assign (resid 22  and  name H5 ) (resid 21  and  name H3'  ) 4.50 1.50 1.50
assign (resid 14  and  name H5 ) (resid 13  and  name H2'  ) 4.00 1.35 1.50
assign (resid 14  and  name H5 ) (resid 13  and  name H3'  ) 4.00 1.35 1.50
assign (resid 8  and  name H5 ) (resid 7  and  name H2'  ) 4.00 1.35 1.50
assign (resid 8  and  name H5 ) (resid 7  and  name H3'  ) 4.50 1.50 1.50
assign (resid 38  and  name H5 ) (resid 37  and  name H2'  ) 4.00 1.35 1.50
assign (resid 38  and  name H5 ) (resid 37  and  name H3'  ) 4.50 1.50 1.50
assign (resid 22  and  name H1' ) (resid 22  and  name H2'  ) 2.90 0.90 0.90
assign (resid 22  and  name H1' ) (resid 22  and  name H3'  ) 4.00 1.35 1.50
assign (resid 14  and  name H1' ) (resid 14  and  name H2'  ) 2.90 0.90 0.90
assign (resid 14  and  name H1' ) (resid 14  and  name H3'  ) 4.00 1.35 1.50
assign (resid 4  and  name H1' ) (resid 4  and  name H2'  ) 2.90 0.90 0.90
assign (resid 4  and  name H1' ) (resid 4  and  name H3'  ) 4.00 1.35 1.50
assign (resid 26  and  name H1' ) (resid 26  and  name H2'  ) 2.90 0.90 0.90
assign (resid 26  and  name H1' ) (resid 26  and  name H3'  ) 4.00 1.35 1.50
assign (resid 25  and  name H1' ) (resid 25  and  name H2'  ) 2.90 0.90 0.90
assign (resid 25  and  name H1' ) (resid 25  and  name H3'  ) 4.00 1.35 1.50
assign (resid 9  and  name H1' ) (resid 9  and  name H2'  ) 2.90 0.90 0.90
assign (resid 9  and  name H1' ) (resid 9  and  name H3'  ) 4.00 1.35 1.50
assign (resid 45  and  name H1' ) (resid 45  and  name H2'  ) 2.90 0.90 0.90
assign (resid 45  and  name H1' ) (resid 45  and  name H3'  ) 4.00 1.35 1.50
assign (resid 28  and  name H1' ) (resid 28  and  name H2'  ) 2.90 0.90 0.90
assign (resid 28  and  name H1' ) (resid 28  and  name H3'  ) 4.00 1.35 1.50
assign (resid 48  and  name H1' ) (resid 48  and  name H2'  ) 2.90 0.90 0.90
assign (resid 48  and  name H1' ) (resid 48  and  name H3'  ) 4.00 1.35 1.50
assign (resid 37  and  name H1' ) (resid 37  and  name H2'  ) 2.90 0.90 0.90
assign (resid 37  and  name H1' ) (resid 37  and  name H3'  ) 4.00 1.35 1.50
assign (resid 5  and  name H5 ) (resid 4  and  name H2'  ) 4.00 1.35 1.50
assign (resid 5  and  name H5 ) (resid 4  and  name H3'  ) 4.50 1.50 1.50
assign (resid 30  and  name H1' ) (resid 30  and  name H2'  ) 2.90 0.90 0.90
assign (resid 30  and  name H1' ) (resid 30  and  name H3'  ) 4.00 1.35 1.50
assign (resid 9  and  name H5  ) (resid 8  and  name H2'  ) 4.00 1.35 1.50
assign (resid 9  and  name H5  ) (resid 8  and  name H3'  ) 4.50 1.50 1.50
assign (resid 12  and  name H1' ) (resid 12  and  name H2'  ) 2.90 0.90 0.90
assign (resid 12  and  name H1' ) (resid 12  and  name H3'  ) 4.00 1.35 1.50
assign (resid 44  and  name H1' ) (resid 44  and  name H2'  ) 2.90 0.90 0.90
assign (resid 44  and  name H1' ) (resid 44  and  name H3'  ) 4.00 1.35 1.50
assign (resid 33  and  name H1' ) (resid 33  and  name H2'  ) 2.90 0.90 0.90
assign (resid 33  and  name H1' ) (resid 33  and  name H3'  ) 4.00 1.35 1.50
assign (resid 24  and  name H1' ) (resid 24  and  name H2'  ) 2.90 0.90 0.90
assign (resid 24  and  name H1' ) (resid 24  and  name H3'  ) 4.00 1.35 1.50
assign (resid 38  and  name H1' ) (resid 38  and  name H2'  ) 2.90 0.90 0.90
assign (resid 38  and  name H1' ) (resid 38  and  name H3'  ) 4.00 1.35 1.50
assign (resid 12  and  name H5 ) (resid 11  and  name H2'  ) 4.00 1.35 1.50
assign (resid 12  and  name H5 ) (resid 11  and  name H3'  ) 4.50 1.50 1.50
assign (resid 35  and  name H5 ) (resid 34  and  name H2'  ) 4.00 1.35 1.50
assign (resid 35  and  name H5 ) (resid 34  and  name H2'  ) 4.50 1.50 1.50
assign (resid 8  and  name H1' ) (resid 8  and  name H2'  ) 2.90 0.90 0.90
assign (resid 8  and  name H1' ) (resid 8  and  name H3'  ) 4.00 1.35 1.50
assign (resid 16  and  name H1' ) (resid 16  and  name H2'  ) 2.90 0.90 0.90
assign (resid 16  and  name H1' ) (resid 16  and  name H3'  ) 4.00 1.35 1.50
assign (resid 34  and  name H1' ) (resid 34  and  name H2'  ) 2.90 0.90 0.90
assign (resid 34  and  name H1' ) (resid 34  and  name H3'  ) 4.00 1.35 1.50
assign (resid 40  and  name H1' ) (resid 40  and  name H2'  ) 2.90 0.90 0.90
assign (resid 40  and  name H1' ) (resid 40  and  name H3'  ) 4.00 1.35 1.50
assign (resid 41  and  name H1' ) (resid 41  and  name H2'  ) 2.90 0.90 0.90
assign (resid 41  and  name H1' ) (resid 41  and  name H3'  ) 4.00 1.35 1.50
assign (resid 34  and  name H5 ) (resid 33  and  name H2'  ) 4.00 1.35 1.50
assign (resid 34  and  name H5 ) (resid 33  and  name H3'  ) 4.50 1.50 1.50
assign (resid 32  and  name H1' ) (resid 32  and  name H2'  ) 2.90 0.90 0.90
assign (resid 32  and  name H1' ) (resid 32  and  name H3'  ) 4.00 1.35 1.50
assign (resid 17  and  name H1' ) (resid 17  and  name H2'  ) 2.90 0.90 0.90
assign (resid 17  and  name H1' ) (resid 17  and  name H3'  ) 4.00 1.35 1.50
assign (resid 31  and  name H1' ) (resid 31  and  name H2'  ) 2.90 0.90 0.90
assign (resid 31  and  name H1' ) (resid 31  and  name H3'  ) 4.00 1.35 1.50
assign (resid 26  and  name H5 ) (resid 25  and  name H2'  ) 4.00 1.35 1.50
assign (resid 35  and  name H1' ) (resid 35  and  name H2'  ) 2.90 0.90 0.90
assign (resid 35  and  name H1' ) (resid 35  and  name H3'  ) 4.00 1.35 1.50
assign (resid 13  and  name H1' ) (resid 13  and  name H2'  ) 2.90 0.90 0.90
assign (resid 13  and  name H1' ) (resid 13  and  name H3'  ) 4.00 1.35 1.50
assign (resid 27  and  name H5 ) (resid 26  and  name H2'  ) 4.00 1.35 1.50
assign (resid 27  and  name H5 ) (resid 26  and  name H3'  ) 4.50 1.50 1.50
assign (resid 5  and  name H1' ) (resid 5  and  name H2'  ) 2.90 0.90 0.90
assign (resid 5  and  name H1' ) (resid 5  and  name H3'  ) 4.00 1.35 1.50
assign (resid 39  and  name H1' ) (resid 39  and  name H2'  ) 2.90 0.90 0.90
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assign (resid 46  and  name H1' ) (resid 46  and  name H2'  ) 2.90 0.90 0.90
assign (resid 46  and  name H1' ) (resid 46  and  name H3'  ) 4.00 1.35 1.50
assign (resid 21  and  name H1' ) (resid 21  and  name H2'  ) 2.90 0.90 0.90
assign (resid 21  and  name H1' ) (resid 21  and  name H3'  ) 4.00 1.35 1.50
assign (resid 49  and  name H1' ) (resid 49  and  name H2'  ) 2.90 0.90 0.90
assign (resid 49  and  name H1' ) (resid 49  and  name H3'  ) 4.00 1.35 1.50
assign (resid 7  and  name H1' ) (resid 7  and  name H2'  ) 2.90 0.90 0.90
assign (resid 7  and  name H1' ) (resid 7  and  name H3'  ) 4.00 1.35 1.50
assign (resid 36  and  name H1' ) (resid 36  and  name H2'  ) 2.90 0.90 0.90
assign (resid 36  and  name H1' ) (resid 36  and  name H3'  ) 4.00 1.35 1.50
assign (resid 2  and  name H1' ) (resid 2  and  name H2'  ) 2.90 0.90 0.90
assign (resid 2  and  name H1' ) (resid 2  and  name H3'  ) 4.00 1.35 1.50
assign (resid 10  and  name H1' ) (resid 10  and  name H2'  ) 2.90 0.90 0.90
assign (resid 10  and  name H1' ) (resid 10  and  name H3'  ) 4.00 1.35 1.50
assign (resid 6  and  name H1' ) (resid 6  and  name H2'  ) 2.90 0.90 0.90
assign (resid 6  and  name H1' ) (resid 6  and  name H3'  ) 4.00 1.35 1.50
assign (resid 43  and  name H1' ) (resid 43  and  name H2'  ) 2.90 0.90 0.90
assign (resid 43  and  name H1' ) (resid 43  and  name H3'  ) 4.00 1.35 1.50
assign (resid 20  and  name H5  ) (resid 20  and  name H3'  ) 4.00 1.35 1.50
assign (resid 15  and  name H1' ) (resid 15  and  name H2'  ) 2.90 0.90 0.90
assign (resid 15  and  name H1' ) (resid 15  and  name H3'  ) 4.00 1.35 1.50
assign (resid 3  and  name H1' ) (resid 3  and  name H2'  ) 2.90 0.90 0.90
assign (resid 3  and  name H1' ) (resid 3  and  name H3'  ) 4.00 1.35 1.50
assign (resid 23  and  name H1' ) (resid 23  and  name H2'  ) 2.90 0.90 0.90
assign (resid 23  and  name H1' ) (resid 23  and  name H3'  ) 4.00 1.35 1.50
assign (resid 29  and  name H1' ) (resid 29  and  name H2'  ) 2.90 0.90 0.90
assign (resid 29  and  name H1' ) (resid 29  and  name H3'  ) 4.00 1.35 1.50
assign (resid 19  and  name H1' ) (resid 19  and  name H2'  ) 2.90 0.90 0.90
assign (resid 19  and  name H1' ) (resid 19  and  name H3'  ) 4.00 1.35 1.50
assign (resid 6  and  name H5 ) (resid 5  and  name H2'  ) 4.50 1.50 1.50
assign (resid 1  and  name H2' ) (resid 1  and  name H1'  ) 2.90 0.90 0.90
assign (resid 1  and  name H2' ) (resid 2  and  name H1'  ) 4.00 1.35 1.50
assign (resid 2  and  name H2' ) (resid 3  and  name H1'  ) 4.00 1.35 1.50
assign (resid 3  and  name H2' ) (resid 4  and  name H1'  ) 4.00 1.35 1.50
assign (resid 4  and  name H2' ) (resid 5  and  name H1'  ) 4.00 1.35 1.50
assign (resid 6  and  name H2' ) (resid 7  and  name H1'  ) 4.00 1.35 1.50
assign (resid 7  and  name H2' ) (resid 8  and  name H1'  ) 4.00 1.35 1.50
assign (resid 8  and  name H2' ) (resid 9  and  name H1'  ) 4.00 1.35 1.50
assign (resid 9  and  name H2' ) (resid 10  and  name H1'  ) 4.00 1.35 1.50
assign (resid 10  and  name H2' ) (resid 11  and  name H1'  ) 4.00 1.35 1.50
assign (resid 11  and  name H2' ) (resid 12  and  name H1'  ) 4.00 1.35 1.50
assign (resid 12  and  name H2' ) (resid 13  and  name H1'  ) 4.00 1.35 1.50
assign (resid 13  and  name H2' ) (resid 14  and  name H1'  ) 4.50 1.50 1.50
assign (resid 14  and  name H2' ) (resid 15  and  name H1'  ) 4.00 1.35 1.50
assign (resid 15  and  name H2' ) (resid 16  and  name H1'  ) 4.00 1.35 1.50
assign (resid 16  and  name H2' ) (resid 17  and  name H1'  ) 4.00 1.35 1.50
assign (resid 17  and  name H2' ) (resid 18  and  name H1'  ) 4.00 1.35 1.50
assign (resid 18  and  name H2' ) (resid 19  and  name H1'  ) 4.00 1.35 1.50
assign (resid 19  and  name H2' ) (resid 20  and  name H1'  ) 4.00 1.35 1.50
assign (resid 20  and  name H2' ) (resid 21  and  name H1'  ) 4.00 1.35 1.50
assign (resid 21  and  name H2' ) (resid 22  and  name H1'  ) 4.50 1.50 1.50
assign (resid 22  and  name H2' ) (resid 23  and  name H1'  ) 4.50 1.50 1.50
assign (resid 24  and  name H2' ) (resid 25  and  name H1'  ) 4.50 1.50 1.50
assign (resid 25  and  name H2' ) (resid 26  and  name H1'  ) 4.50 1.50 1.50
assign (resid 26  and  name H2' ) (resid 27  and  name H1'  ) 4.00 1.35 1.50
assign (resid 27  and  name H2' ) (resid 28  and  name H1'  ) 4.00 1.35 1.50
assign (resid 30  and  name H2' ) (resid 31  and  name H1'  ) 4.50 1.50 1.50
assign (resid 31  and  name H2' ) (resid 32  and  name H1'  ) 4.00 1.35 1.50
assign (resid 32  and  name H2' ) (resid 33  and  name H1'  ) 4.00 1.35 1.50
assign (resid 33  and  name H2' ) (resid 34  and  name H1'  ) 4.00 1.35 1.50
assign (resid 34  and  name H2' ) (resid 35  and  name H1'  ) 4.00 1.35 1.50
assign (resid 36  and  name H2' ) (resid 37  and  name H1'  ) 4.00 1.35 1.50
assign (resid 37  and  name H2' ) (resid 38  and  name H1'  ) 4.00 1.35 1.50
assign (resid 38  and  name H2' ) (resid 39  and  name H1'  ) 4.00 1.35 1.50
assign (resid 39  and  name H2' ) (resid 40  and  name H1'  ) 4.00 1.35 1.50
assign (resid 40  and  name H2' ) (resid 41  and  name H1'  ) 4.00 1.35 1.50
assign (resid 43  and  name H2' ) (resid 44  and  name H1'  ) 4.00 1.35 1.50
assign (resid 44  and  name H2' ) (resid 45  and  name H1'  ) 4.50 1.50 1.50
assign (resid 45  and  name H2' ) (resid 46  and  name H1'  ) 4.50 1.50 1.50
assign (resid 46  and  name H2' ) (resid 47  and  name H1'  ) 4.00 1.35 1.50
assign (resid 47  and  name H2' ) (resid 48  and  name H1'  ) 4.00 1.35 1.50
assign (resid 48  and  name H2' ) (resid 49  and  name H1'  ) 4.00 1.35 1.50
assign (resid 3  and  name H2  ) (resid 4  and  name H1'  ) 4.00 1.35 1.50
assign (resid 3  and  name H2  ) (resid 34  and  name H1'  ) 4.00 1.35 1.50
assign (resid 3  and  name H2  ) (resid 3  and  name H1'  ) 4.50 1.50 1.50
assign (resid 10  and  name H2  ) (resid 11  and  name H1'  ) 4.00 1.35 1.50
assign (resid 10  and  name H2  ) (resid 46  and  name H1'  ) 4.00 1.35 1.50
assign (resid 15  and  name H2  ) (resid 15  and  name H1'  ) 4.50 1.50 1.50
assign (resid 15  and  name H2  ) (resid 16  and  name H1'  ) 4.00 1.35 1.50
assign (resid 15  and  name H2  ) (resid 21  and  name H1'  ) 4.00 1.35 1.50
assign (resid 17  and  name H2  ) (resid 18  and  name H1'  ) 4.00 1.35 1.50
assign (resid 17  and  name H2  ) (resid 17  and  name H1'  ) 4.00 1.35 1.50
assign (resid 19  and  name H2  ) (resid 19  and  name H1'  ) 4.50 1.50 1.50
assign (resid 23  and  name H2  ) (resid 13  and  name H1'  ) 4.00 1.35 1.50
assign (resid 24  and  name H2  ) (resid 24  and  name H1'  ) 4.00 1.35 1.50
assign (resid 28  and  name H2  ) (resid 39  and  name H1'  ) 4.00 1.35 1.50
assign (resid 3  and  name H1' ) (resid 4  and  name H1'  ) 4.50 1.50 1.50
assign (resid 3  and  name H1' ) (resid 4  and  name H5  ) 4.50 1.50 1.50
assign (resid 4  and  name H5  ) (resid 5  and  name H5  ) 4.00 1.35 1.50
assign (resid 5  and  name H1' ) (resid 5  and  name H5  ) 4.50 1.50 1.50
assign (resid 5  and  name H5  ) (resid 6  and  name H5  ) 4.50 1.50 1.50
assign (resid 5  and  name H1' ) (resid 6  and  name H5  ) 4.50 1.50 1.50
assign (resid 7  and  name H1' ) (resid 8  and  name H5  ) 4.00 1.35 1.50
assign (resid 7  and  name H1' ) (resid 8  and  name H1' ) 4.50 1.50 1.50
assign (resid 8  and  name H1' ) (resid 8  and  name H5  ) 4.50 1.50 1.50
assign (resid 8  and  name H5  ) (resid 9  and  name H5  ) 4.00 1.35 1.50
assign (resid 9  and  name H1' ) (resid 10  and  name H1' ) 4.50 1.50 1.50
assign (resid 10  and  name H1' ) (resid 11  and  name H1'  ) 4.50 1.50 1.50
assign (resid 10  and  name H1' ) (resid 11  and  name H5   ) 4.50 1.50 1.50
assign (resid 11  and  name H5  ) (resid 12  and  name H5   ) 4.00 1.35 1.50
assign (resid 13  and  name H1' ) (resid 14  and  name H1'  ) 4.50 1.50 1.50
assign (resid 13  and  name H1' ) (resid 14  and  name H5   ) 4.50 1.50 1.50
assign (resid 14  and  name H1' ) (resid 15  and  name H1'  ) 4.50 1.50 1.50
assign (resid 15  and  name H1' ) (resid 16  and  name H1'  ) 4.50 1.50 1.50
assign (resid 17  and  name H1' ) (resid 18  and  name H1'  ) 4.50 1.50 1.50
assign (resid 18  and  name H1' ) (resid 19  and  name H1'  ) 4.50 1.50 1.50
assign (resid 21  and  name H1' ) (resid 22  and  name H1'  ) 4.50 1.50 1.50
assign (resid 21  and  name H1' ) (resid 22  and  name H5   ) 4.50 1.50 1.50
assign (resid 22  and  name H1' ) (resid 23  and  name H1'  ) 4.50 1.50 1.50
assign (resid 25  and  name H1' ) (resid 25  and  name H5   ) 4.50 1.50 1.50
assign (resid 25  and  name H1' ) (resid 26  and  name H5  ) 4.50 1.50 1.50
assign (resid 29  and  name H1' ) (resid 28  and  name H1'  ) 4.50 1.50 1.50
assign (resid 32  and  name H1' ) (resid 33  and  name H5   ) 4.00 1.35 1.50
assign (resid 33  and  name H1' ) (resid 33  and  name H5   ) 4.50 1.50 1.50
assign (resid 4  and  name H1' ) (resid 5  and  name H1'  ) 4.50 1.50 1.50
assign (resid 4  and  name H1' ) (resid 4  and  name H5  ) 4.50 1.50 1.50
assign (resid 6  and  name H1' ) (resid 6  and  name H5  ) 4.50 1.50 1.50
assign (resid 8  and  name H1' ) (resid 9  and  name H1' ) 4.50 1.50 1.50
assign (resid 11  and  name H1' ) (resid 12  and  name H5   ) 4.50 1.50 1.50
assign (resid 12  and  name H1' ) (resid 13  and  name H1'  ) 4.50 1.50 1.50
assign (resid 19  and  name H1' ) (resid 20  and  name H1'  ) 4.50 1.50 1.50
assign (resid 20  and  name H1' ) (resid 21  and  name H1'  ) 4.50 1.50 1.50
assign (resid 20  and  name H1' ) (resid 20  and  name H5   ) 4.50 1.50 1.50
assign (resid 33  and  name H1' ) (resid 32  and  name H1'  ) 4.50 1.50 1.50
assign (resid 33  and  name H1' ) (resid 34  and  name H5   ) 4.50 1.50 1.50
assign (resid 35  and  name H1' ) (resid 35  and  name H5   ) 4.50 1.50 1.50
assign (resid 37  and  name H1' ) (resid 37  and  name H5   ) 4.50 1.50 1.50
assign (resid 37  and  name H5  ) (resid 38  and  name H5   ) 4.00 1.35 1.50
assign (resid 38  and  name H1' ) (resid 38  and  name H5   ) 4.50 1.50 1.50
assign (resid 47  and  name H1' ) (resid 48  and  name H5   ) 4.50 1.50 1.50
assign (resid 48  and  name H1' ) (resid 48  and  name H5   ) 4.50 1.50 1.50
assign (resid 37  and  name H1' ) (resid 38  and  name H5   ) 4.50 1.50 1.50
assign (resid 38  and  name H1' ) (resid 39  and  name H1'  ) 4.50 1.50 1.50
assign (resid 39  and  name H1' ) (resid 40  and  name H1'  ) 4.50 1.50 1.50
assign (resid 41  and  name H1' ) (resid 42  and  name H1'  ) 4.50 1.50 1.50
assign (resid 42  and  name H1' ) (resid 42  and  name H5   ) 4.50 1.50 1.50
assign (resid 45  and  name H5  ) (resid 46  and  name H1'  ) 4.50 1.50 1.50
assign (resid 47  and  name H1' ) (resid 48  and  name H1'  ) 4.50 1.50 1.50
assign (resid 48  and  name H1' ) (resid 49  and  name H1'  ) 4.50 1.50 1.50
assign (resid 1  and  name H8  ) (resid 2  and  name H8   ) 4.50 1.50 1.50
assign (resid 2  and  name H8  ) (resid 3  and  name H8   ) 4.50 1.50 1.50
assign (resid 3  and  name H8  ) (resid 4  and  name H6   ) 4.50 1.50 1.50
assign (resid 4  and  name H6  ) (resid 5  and  name H6   ) 4.50 1.50 1.50
assign (resid 7  and  name H8  ) (resid 8  and  name H6   ) 4.50 1.50 1.50
assign (resid 9  and  name H6  ) (resid 10  and  name H8   ) 4.50 1.50 1.50
assign (resid 10  and  name H8  ) (resid 11  and  name H6   ) 4.50 1.50 1.50
assign (resid 11  and  name H6  ) (resid 12  and  name H6   ) 4.50 1.50 1.50
assign (resid 14  and  name H6  ) (resid 15  and  name H8   ) 4.50 1.50 1.50
assign (resid 15  and  name H8  ) (resid 16  and  name H8   ) 4.00 1.35 1.50
assign (resid 17  and  name H8  ) (resid 18  and  name H8   ) 4.00 1.35 1.50
assign (resid 18  and  name H8  ) (resid 19  and  name H8   ) 4.00 1.35 1.50
assign (resid 19  and  name H8  ) (resid 20  and  name H6   ) 4.50 1.50 1.50
assign (resid 20  and  name H6  ) (resid 21  and  name H8   ) 4.50 1.50 1.50
assign (resid 22  and  name H6  ) (resid 23  and  name H8   ) 4.50 1.50 1.50
assign (resid 24  and  name H8  ) (resid 25  and  name H6   ) 4.50 1.50 1.50
assign (resid 29  and  name H8  ) (resid 30  and  name H6   ) 4.00 1.35 1.50
assign (resid 31  and  name H8  ) (resid 30  and  name H6   ) 4.00 1.35 1.50
assign (resid 30  and  name H5 ) (resid 29  and  name H2'  ) 4.00 1.35 1.50
assign (resid 30  and  name H5 ) (resid 29  and  name H3'  ) 4.50 1.50 1.50
assign (resid 5  and  name H6  ) (resid 6  and  name H6   ) 4.50 1.50 1.50
assign (resid 6  and  name H6  ) (resid 7  and  name H8   ) 4.50 1.50 1.50
assign (resid 12  and  name H6  ) (resid 13  and  name H8   ) 4.50 1.50 1.50
assign (resid 16  and  name H8  ) (resid 17  and  name H8   ) 4.50 1.50 1.50
assign (resid 16  and  name H8  ) (resid 18  and  name H8   ) 4.50 1.50 1.50
assign (resid 25  and  name H6  ) (resid 26  and  name H6   ) 4.50 1.50 1.50
assign (resid 32  and  name H8  ) (resid 33  and  name H6   ) 4.50 1.50 1.50
assign (resid 34  and  name H6  ) (resid 35  and  name H6   ) 4.50 1.50 1.50
assign (resid 36  and  name H8  ) (resid 37  and  name H6   ) 4.50 1.50 1.50
assign (resid 38  and  name H6  ) (resid 39  and  name H8   ) 4.50 1.50 1.50
assign (resid 39  and  name H8  ) (resid 40  and  name H8   ) 4.00 1.35 1.50
assign (resid 46  and  name H8  ) (resid 47  and  name H8   ) 4.50 1.50 1.50
assign (resid 47  and  name H8  ) (resid 48  and  name H6   ) 4.50 1.50 1.50
assign (resid 37  and  name H6  ) (resid 38  and  name H6   ) 4.50 1.50 1.50
assign (resid 44  and  name H8  ) (resid 45  and  name H6   ) 4.50 1.50 1.50
assign (resid 48  and  name H6  ) (resid 49  and  name H8   ) 4.50 1.50 1.50
assign (resid 24  and  name H1' ) (resid 25  and  name H1'  ) 4.50 1.50 1.50
assign (resid 24  and  name H2 ) (resid 25  and  name H6  ) 4.50 1.50 1.50
assign (resid 24  and  name H8 ) (resid 43  and  name H2'  ) 4.00 1.35 1.50
assign (resid 24  and  name H2' ) (resid 25  and  name H1'  ) 4.50 1.50 1.50
assign (resid 24  and  name H2' ) (resid 25  and  name H5  ) 4.00 1.35 1.50
assign (resid 25  and  name H1' ) (resid 24  and  name H1'  ) 4.50 1.50 1.50
assign (resid 25  and  name H5  ) (resid 26  and  name H5  ) 4.00 1.35 1.50
assign (resid 36  and  name H1' ) (resid 31  and  name H1'  ) 4.00 1.35 1.50
assign (resid 41  and  name H5 ) (resid 40  and  name H21  ) 3.50 1.50 1.50
assign (resid 41  and  name H5 ) (resid 40  and  name H22  ) 3.50 1.50 1.50
assign (resid 41  and  name H5 ) (resid 40  and  name H1' ) 4.50 1.50 1.50
assign (resid 41  and  name H5 ) (resid 40  and  name H2' ) 4.50 1.50 1.50
assign (resid 41  and  name H2' ) (resid 40  and  name H2'  ) 4.50 1.50 1.50
assign (resid 41  and  name H2' ) (resid 40  and  name H3'  ) 4.50 1.50 1.50
assign (resid 39  and  name H8  ) (resid 40  and  name H8   ) 4.00 1.35 1.50
assign (resid 36  and  name H1' ) (resid 36  and  name H8  ) 4.00 1.35 1.50
assign (resid 36  and  name H1' ) (resid 37  and  name H6  ) 4.00 1.35 1.50
assign (resid 36  and  name H2' ) (resid 36  and  name H8  ) 4.00 1.35 1.50
assign (resid 36  and  name H2' ) (resid 37  and  name H6  ) 2.90 0.90 0.90
assign (resid 36  and  name H8  ) (resid 5  and  name H1'  ) 4.00 1.35 1.50
assign (resid 36  and  name H8  ) (resid 5  and  name H2'  ) 4.00 1.35 1.50
assign (resid 36  and  name H8 ) (resid 37  and  name H5  ) 4.50 1.50 1.50
assign (resid 36  and  name H8 ) (resid 5  and  name H5  ) 4.50 1.50 1.50
assign (resid 36  and  name H8 ) (resid 5  and  name H6  ) 4.50 1.50 1.50
assign (resid 36  and  name H8 ) (resid 37  and  name H6  ) 4.50 1.50 1.50
assign (resid 24  and  name H8 ) (resid 43  and  name H2'  ) 4.00 1.35 1.50
assign (resid 24  and  name H8 ) (resid 43  and  name H1'  ) 4.00 1.35 1.50
assign (resid 24  and  name H8 ) (resid 44  and  name H8  ) 4.50 1.50 1.50
assign (resid 1  and  name H1  ) (resid 2  and  name H1   ) 3.50 1.50 1.50
assign (resid 2  and  name H1  ) (resid 33  and  name H3   ) 3.50 1.50 1.50
assign (resid 33  and  name H3  ) (resid 32  and  name H1    ) 3.50 1.50 1.50
assign (resid 32  and  name H1  ) (resid 31  and  name H1    ) 3.50 1.50 1.50
assign (resid 13  and  name H1  ) (resid 21  and  name H1    ) 3.50 1.50 1.50
assign (resid 21  and  name H1  ) (resid 20  and  name H3    ) 3.50 1.50 1.50
assign (resid 20  and  name H3  ) (resid 16  and  name H1    ) 3.50 1.50 1.50
assign (resid 29  and  name H1  ) (resid 38  and  name H3    ) 3.50 1.50 1.50
assign (resid 38  and  name H3  ) (resid 39  and  name H1    ) 3.50 1.50 1.50
assign (resid 39  and  name H1  ) (resid 40  and  name H1    ) 3.50 1.50 1.50
assign (resid 44  and  name H1  ) (resid 45  and  name H3    ) 3.50 1.50 1.50
assign (resid 45  and  name H3  ) (resid 46  and  name H1    ) 3.50 1.50 1.50
assign (resid 46  and  name H1  ) (resid 47  and  name H1    ) 3.50 1.50 1.50
assign (resid 47  and  name H1  ) (resid 7  and  name H1    ) 3.50 1.50 1.50
assign (resid 34  and  name H42  ) (resid 2  and  name H1    ) 3.50 1.50 1.50
assign (resid 34  and  name H41  ) (resid 2  and  name H1    ) 3.50 1.50 1.50
assign (resid 3  and  name H62  ) (resid 33  and  name H3    ) 3.50 1.50 1.50
assign (resid 3  and  name H61  ) (resid 33  and  name H3    ) 3.50 1.50 1.50
assign (resid 4  and  name H42  ) (resid 32  and  name H1    ) 3.50 1.50 1.50
assign (resid 4  and  name H41  ) (resid 32  and  name H1    ) 3.50 1.50 1.50
assign (resid 5  and  name H42  ) (resid 31  and  name H1    ) 3.50 1.50 1.50
assign (resid 5  and  name H41  ) (resid 31  and  name H1    ) 3.50 1.50 1.50
assign (resid 22  and  name H42  ) (resid 13  and  name H1    ) 3.50 1.50 1.50
assign (resid 22  and  name H41  ) (resid 13  and  name H1    ) 3.50 1.50 1.50
assign (resid 14  and  name H42  ) (resid 21  and  name H1    ) 2.90 0.90 0.90
assign (resid 14  and  name H41  ) (resid 21  and  name H1    ) 3.50 1.50 1.50
assign (resid 15  and  name H62  ) (resid 20  and  name H3    ) 3.50 1.50 1.50
assign (resid 15  and  name H61  ) (resid 20  and  name H3    ) 3.50 1.50 1.50
assign (resid 11  and  name H42  ) (resid 44  and  name H1    ) 3.50 1.50 1.50
assign (resid 11  and  name H41  ) (resid 44  and  name H1    ) 3.50 1.50 1.50
assign (resid 10  and  name H62  ) (resid 45  and  name H3    ) 3.50 1.50 1.50
assign (resid 10  and  name H61  ) (resid 45  and  name H3    ) 3.50 1.50 1.50
assign (resid 9  and  name H42  ) (resid 46  and  name H1    ) 3.50 1.50 1.50
assign (resid 9  and  name H41  ) (resid 46  and  name H1    ) 3.50 1.50 1.50
assign (resid 8  and  name H42  ) (resid 47  and  name H1    ) 3.50 1.50 1.50
assign (resid 8  and  name H41  ) (resid 47  and  name H1    ) 3.50 1.50 1.50
assign (resid 48  and  name H42  ) (resid 7  and  name H1    ) 3.50 1.50 1.50
assign (resid 48  and  name H41  ) (resid 7  and  name H1    ) 3.50 1.50 1.50
assign (resid 6  and  name H42  ) (resid 49  and  name H1    ) 3.50 1.50 1.50
assign (resid 6  and  name H41  ) (resid 49  and  name H1    ) 3.50 1.50 1.50
assign (resid 37  and  name H42  ) (resid 29  and  name H1    ) 3.50 1.50 1.50
assign (resid 37  and  name H41  ) (resid 29  and  name H1    ) 3.50 1.50 1.50
assign (resid 28  and  name H62  ) (resid 38  and  name H3    ) 3.50 1.50 1.50
assign (resid 28  and  name H61  ) (resid 38  and  name H3    ) 3.50 1.50 1.50
assign (resid 27  and  name H42  ) (resid 39  and  name H1    ) 3.50 1.50 1.50
assign (resid 27  and  name H41  ) (resid 39  and  name H1    ) 3.50 1.50 1.50
assign (resid 26  and  name H42  ) (resid 40  and  name H1    ) 3.50 1.50 1.50
assign (resid 26  and  name H41  ) (resid 40  and  name H1    ) 3.50 1.50 1.50
assign (resid 3  and  name H2  ) (resid 33  and  name H3  ) 2.90 0.90 0.90
assign (resid 3  and  name H2  ) (resid 2  and  name H1  ) 4.0 2.0 2.0
assign (resid 3  and  name H2  ) (resid 32  and  name H1  ) 4.0 2.0 2.0
assign (resid 15  and  name H2  ) (resid 20  and  name H3   ) 2.90 0.90 0.90
assign (resid 15  and  name H2  ) (resid 21  and  name H1  ) 4.0 2.0 2.0
assign (resid 23  and  name H2  ) (resid 12  and  name H3  ) 3.50 1.50 1.50
assign (resid 10  and  name H2  ) (resid 45  and  name H3  ) 2.90 0.90 0.90
assign (resid 10  and  name H2  ) (resid 46  and  name H1  ) 4.0 2.0 2.0
assign (resid 10  and  name H2  ) (resid 44  and  name H1  ) 4.0 2.0 2.0
assign (resid 28  and  name H2  ) (resid 38  and  name H3  ) 2.90 0.90 0.90
assign (resid 1  and  name H1 ) (resid 35  and  name N3 ) 1.95 0.1 0.1 
assign (resid 1  and  name O6  ) (resid 35  and  name H42 ) 1.91 0.1 0.1
assign (resid 1  and  name H22 ) (resid 35  and  name O2 ) 1.86 0.1 0.1
assign (resid 2  and  name H1 ) (resid 34  and  name N3 ) 1.95 0.1 0.1 
assign (resid 2  and  name O6  ) (resid 34  and  name H42 ) 1.91 0.1 0.1
assign (resid 2  and  name H22 ) (resid 34  and  name O2 ) 1.86 0.1 0.1 
assign (resid 3  and  name N1 ) (resid 33  and  name H3 ) 1.82 0.1 0.1
assign (resid 3  and  name H62 ) (resid 33  and  name O4 ) 1.95 0.1 0.1
assign (resid 32  and  name H1 ) (resid 4  and  name N3 ) 1.95 0.1 0.1 
assign (resid 32  and  name O6  ) (resid 4  and  name H42 ) 1.91 0.1 0.1
assign (resid 32  and  name H22 ) (resid 4  and  name O2 ) 1.86 0.1 0.1 
assign (resid 31  and  name H1 ) (resid 5  and  name N3 ) 1.95 0.1 0.1 
assign (resid 31  and  name O6  ) (resid 5  and  name H42 ) 1.91 0.1 0.1
assign (resid 31  and  name H22 ) (resid 5  and  name O2 ) 1.86 0.1 0.1
assign (resid 23  and  name N1 ) (resid 12  and  name H3 ) 1.82 0.1 0.1
assign (resid 23  and  name H62 ) (resid 12  and  name O4 ) 1.95 0.1 0.1
assign (resid 13  and  name H1 ) (resid 22  and  name N3 ) 1.95 0.1 0.1 
assign (resid 13  and  name O6  ) (resid 22  and  name H42 ) 1.91 0.1 0.1
assign (resid 13  and  name H22 ) (resid 22  and  name O2 ) 1.86 0.1 0.1
assign (resid 21  and  name H1 ) (resid 14  and  name N3 ) 1.95 0.1 0.1 
assign (resid 21  and  name O6  ) (resid 14  and  name H42 ) 1.91 0.1 0.1
assign (resid 21  and  name H22 ) (resid 14  and  name O2 ) 1.86 0.1 0.1
assign (resid 15  and  name N1 ) (resid 20  and  name H3 ) 1.82 0.1 0.1
assign (resid 15  and  name H62 ) (resid 20  and  name O4 ) 1.95 0.1 0.1
assign (resid 16  and  name N3  ) (resid 19  and  name H61 ) 2.10 0.1 0.1
assign (resid 16  and  name N3  ) (resid 19  and  name N6 ) 3.10 0.1 0.1
assign (resid 16  and  name H21 ) (resid 19  and  name N7 ) 2.10 0.1 0.1
assign (resid 29  and  name H1  ) (resid 37  and  name N3 ) 1.95 0.1 0.1 
assign (resid 29  and  name O6  ) (resid 37  and  name H42 ) 1.91 0.1 0.1
assign (resid 29  and  name H22 ) (resid 37  and  name O2 ) 1.86 0.1 0.1
assign (resid 28  and  name N1  ) (resid 38  and  name H3 ) 1.82 0.1 0.1
assign (resid 28  and  name H62 ) (resid 38  and  name O4 ) 1.95 0.1 0.1
assign (resid 39  and  name H1  ) (resid 27  and  name N3 ) 1.95 0.1 0.1 
assign (resid 39  and  name O6  ) (resid 27  and  name H42 ) 1.91 0.1 0.1
assign (resid 39  and  name H22 ) (resid 27  and  name O2 ) 1.86 0.1 0.1
assign (resid 40  and  name H1  ) (resid 26  and  name N3 ) 1.95 0.1 0.1 
assign (resid 40  and  name O6  ) (resid 26  and  name H42 ) 1.91 0.1 0.1
assign (resid 40  and  name H22 ) (resid 26  and  name O2 ) 1.86 0.1 0.1 
assign (resid 44  and  name H1  ) (resid 11  and  name N3 ) 1.95 0.1 0.1 
assign (resid 44  and  name O6  ) (resid 11  and  name H42 ) 1.91 0.1 0.1
assign (resid 44  and  name H22 ) (resid 11  and  name O2 ) 1.86 0.1 0.1
assign (resid 10  and  name N1  ) (resid 45  and  name H3 ) 1.82 0.1 0.1
assign (resid 10  and  name H62 ) (resid 45  and  name O4 ) 1.95 0.1 0.1
assign (resid 46  and  name H1  ) (resid 9  and  name N3 ) 1.95 0.1 0.1 
assign (resid 46  and  name O6  ) (resid 9  and  name H42 ) 1.91 0.1 0.1
assign (resid 46  and  name H22 ) (resid 9  and  name O2 ) 1.86 0.1 0.1
assign (resid 47  and  name H1  ) (resid 8  and  name N3 ) 1.95 0.1 0.1 
assign (resid 47  and  name O6  ) (resid 8  and  name H42 ) 1.91 0.1 0.1
assign (resid 47  and  name H22 ) (resid 8  and  name O2 ) 1.86 0.1 0.1
assign (resid 7  and  name H1  ) (resid 48  and  name N3 ) 1.95 0.1 0.1 
assign (resid 7  and  name O6  ) (resid 48  and  name H42 ) 1.91 0.1 0.1
assign (resid 7  and  name H22 ) (resid 48  and  name O2 ) 1.86 0.1 0.1


Dihedral restraints

assign (resid 1  and  name O3') (resid 2  and  name P  )
       (resid 2  and  name O5') (resid 2  and  name C5')  1 295 30 2
assign (resid 2  and  name O3') (resid 3  and  name P  )
       (resid 3  and  name O5') (resid 3  and  name C5')  1 295 30 2
assign (resid 3  and  name O3') (resid 4  and  name P  )
       (resid 4  and  name O5') (resid 4  and  name C5')  1 295 30 2
assign (resid 4  and  name O3') (resid 5  and  name P  )
       (resid 5  and  name O5') (resid 5  and  name C5')  1 295 30 2
assign (resid 5  and  name O3') (resid 6  and  name P  )
       (resid 6  and  name O5') (resid 6  and  name C5')  1 295 30 2
assign (resid 6  and  name O3') (resid 7  and  name P  )
       (resid 7  and  name O5') (resid 7  and  name C5')  1 295 30 2
assign (resid 7  and  name O3') (resid 8  and  name P  )
       (resid 8  and  name O5') (resid 8  and  name C5')  1 295 30 2
assign (resid 8  and  name O3') (resid 9  and  name P  )
       (resid 9  and  name O5') (resid 9  and  name C5')  1 295 30 2
assign (resid 9  and  name O3') (resid 10  and  name P  )
       (resid 10  and  name O5') (resid 10  and  name C5')  1 295 30 2
assign (resid 10  and  name O3') (resid 11  and  name P  )
       (resid 11  and  name O5') (resid 11  and  name C5')  1 295 30 2
assign (resid 11  and  name O3') (resid 12  and  name P  )
       (resid 12  and  name O5') (resid 12  and  name C5')  1 295 30 2
assign (resid 12  and  name O3') (resid 13  and  name P  )
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       (resid 12  and  name P  ) (resid 12  and  name O5')     1 295 30 2
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       (resid 15  and  name P  ) (resid 15  and  name O5')     1 295 30 2
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assign (resid 12  and  name O4') (resid 12  and  name C1')
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assign (resid 30  and  name O4') (resid 30  and  name C1')
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assign (resid 33  and  name O4') (resid 33  and  name C1')
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assign (resid 15  and  name O4') (resid 15  and  name C1')
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assign (resid 14  and  name O4') (resid 14  and  name C1')
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assign (resid 48  and  name O4') (resid 48  and  name C1')
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assign (resid 36  and  name C4') (resid 36  and  name O4')
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assign (resid 47  and  name C4') (resid 47  and  name O4')
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assign (resid 48  and  name C4') (resid 48  and  name O4')
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assign (resid 6  and  name C4') (resid 6  and  name O4')
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assign (resid 49  and  name C4') (resid 49  and  name O4')
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assign (resid 23  and  name C4') (resid 23  and  name O4')
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assign (resid 8  and  name O4') (resid 8  and  name C1')
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assign (resid 10  and  name O4') (resid 10  and  name C1')
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assign (resid 11  and  name O4') (resid 11  and  name C1')
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assign (resid 12  and  name O4') (resid 12  and  name C1')
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assign (resid 14  and  name O4') (resid 14  and  name C1')
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assign (resid 15  and  name O4') (resid 15  and  name C1')
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assign (resid 16  and  name O4') (resid 16  and  name C1')
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assign (resid 18  and  name O4') (resid 18  and  name C1')
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assign (resid 19  and  name O4') (resid 19  and  name C1')
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assign (resid 20  and  name O4') (resid 20  and  name C1')
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assign (resid 22  and  name O4') (resid 22  and  name C1')
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assign (resid 24  and  name O4') (resid 24  and  name C1')
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       (resid 32  and  name O4') (resid 32  and  name C1')  1 16.8 15 2
assign (resid 33  and  name C3') (resid 33  and  name C4')
       (resid 33  and  name O4') (resid 33  and  name C1')  1 16.8 15 2
assign (resid 34  and  name C3') (resid 34  and  name C4')
       (resid 34  and  name O4') (resid 34  and  name C1')  1 16.8 15 2
assign (resid 36  and  name C3') (resid 36  and  name C4')
       (resid 36  and  name O4') (resid 36  and  name C1')  1 16.8 15 2
assign (resid 37  and  name C3') (resid 37  and  name C4')
       (resid 37  and  name O4') (resid 37  and  name C1')  1 16.8 15 2
assign (resid 38  and  name C3') (resid 38  and  name C4')
       (resid 38  and  name O4') (resid 38  and  name C1')  1 16.8 15 2
assign (resid 39  and  name C3') (resid 39  and  name C4')
       (resid 39  and  name O4') (resid 39  and  name C1')  1 16.8 15 2
assign (resid 40  and  name C3') (resid 40  and  name C4')
       (resid 40  and  name O4') (resid 40  and  name C1')  1 16.8 15 2
assign (resid 42  and  name C3') (resid 42  and  name C4')
       (resid 42  and  name O4') (resid 42  and  name C1')  1 16.8 15 2
assign (resid 43  and  name C3') (resid 43  and  name C4')
       (resid 43  and  name O4') (resid 43  and  name C1')  1 16.8 15 2
assign (resid 44  and  name C3') (resid 44  and  name C4')
       (resid 44  and  name O4') (resid 44  and  name C1')  1 16.8 15 2
assign (resid 45  and  name C3') (resid 45  and  name C4')
       (resid 45  and  name O4') (resid 45  and  name C1')  1 16.8 15 2
assign (resid 46  and  name C3') (resid 46  and  name C4')
       (resid 46  and  name O4') (resid 46  and  name C1')  1 16.8 15 2
assign (resid 47  and  name C3') (resid 47  and  name C4')
       (resid 47  and  name O4') (resid 47  and  name C1')  1 16.8 15 2
assign (resid 48  and  name C3') (resid 48  and  name C4')
       (resid 48  and  name O4') (resid 48  and  name C1')  1 16.8 15 2
assign (resid 1  and  name C3') (resid 1  and  name C4')
       (resid 1  and  name O4') (resid 1  and  name C1')  1 0.0 15 2
assign (resid 5  and  name C3') (resid 5  and  name C4')
       (resid 5  and  name O4') (resid 5  and  name C1')  1 0.0 15 2
assign (resid 6  and  name C3') (resid 6  and  name C4')
       (resid 6  and  name O4') (resid 6  and  name C1')  1 0.0 15 2
assign (resid 13  and  name C3') (resid 13  and  name C4')
       (resid 13  and  name O4') (resid 13  and  name C1')  1 0.0 15 2
assign (resid 21  and  name C3') (resid 21  and  name C4')
       (resid 21  and  name O4') (resid 21  and  name C1')  1 0.0 15 2
assign (resid 29  and  name C3') (resid 29  and  name C4')
       (resid 29  and  name O4') (resid 29  and  name C1')  1 0.0 15 2
assign (resid 35  and  name C3') (resid 35  and  name C4')
       (resid 35  and  name O4') (resid 35  and  name C1')  1 0.0 15 2
assign (resid 41  and  name C3') (resid 41  and  name C4')
       (resid 41  and  name O4') (resid 41  and  name C1')  1 0.0 15 2
assign (resid 49  and  name C3') (resid 49  and  name C4')
       (resid 49  and  name O4') (resid 49  and  name C1')  1 0.0 15 2
assign (resid 23  and  name C3') (resid 23  and  name C4')
       (resid 23  and  name O4') (resid 23  and  name C1')  1 0.0 15 2 


Base planarity restraints

evaluate ($pscale = 300)  
group
selection=     ((resid  1  and  name C1') or (resid  1  and  name N9) or
  (resid  1  and  name C8) or (resid  1  and  name H8) or
   (resid  1  and  name N7) or (resid  1  and  name C5) or
  (resid  1  and  name C4) or (resid  1  and  name N3) or 
  (resid  1  and  name C2) or (resid  1  and  name N2) or 
  (resid  1  and  name H21) or (resid  1  and  name H22) or 
  (resid  1  and  name N1) or (resid  1  and  name H1) or 
  (resid  1  and  name C6) or (resid  1  and  name O6))
weight = $pscale end
group
selection=     ((resid  2  and  name C1') or (resid  2  and  name N9) or
  (resid  2  and  name C8) or (resid  2  and  name H8) or
   (resid  2  and  name N7) or (resid  2  and  name C5) or
  (resid  2  and  name C4) or (resid  2  and  name N3) or 
  (resid  2  and  name C2) or (resid  2  and  name N2) or 
  (resid  2  and  name H21) or (resid  2  and  name H22) or 
  (resid  2  and  name N1) or (resid  2  and  name H1) or 
  (resid  2  and  name C6) or (resid  2  and  name O6))
weight = $pscale end
group
selection=     ((resid  7  and  name C1') or (resid  7  and  name N9) or
  (resid  7  and  name C8) or (resid  7  and  name H8) or
   (resid  7  and  name N7) or (resid  7  and  name C5) or
  (resid  7  and  name C4) or (resid  7  and  name N3) or 
  (resid  7  and  name C2) or (resid  7  and  name N2) or 
  (resid  7  and  name H21) or (resid  7  and  name H22) or 
  (resid  7  and  name N1) or (resid  7  and  name H1) or 
  (resid  7  and  name C6) or (resid  7  and  name O6))
weight = $pscale end
group
selection=     ((resid  13  and  name C1') or (resid  13  and  name N9) or
  (resid  13  and  name C8) or (resid  13  and  name H8) or
   (resid  13  and  name N7) or (resid  13  and  name C5) or
  (resid  13  and  name C4) or (resid  13  and  name N3) or 
  (resid  13  and  name C2) or (resid  13  and  name N2) or 
  (resid  13  and  name H21) or (resid  13  and  name H22) or 
  (resid  13  and  name N1) or (resid  13  and  name H1) or 
  (resid  13  and  name C6) or (resid  13  and  name O6))
weight = $pscale end
group
selection=     ((resid  16  and  name C1') or (resid  16  and  name N9) or
  (resid  16  and  name C8) or (resid  16  and  name H8) or
   (resid  16  and  name N7) or (resid  16  and  name C5) or
  (resid  16  and  name C4) or (resid  16  and  name N3) or 
  (resid  16  and  name C2) or (resid  16  and  name N2) or 
  (resid  16  and  name H21) or (resid  16  and  name H22) or 
  (resid  16  and  name N1) or (resid  16  and  name H1) or 
  (resid  16  and  name C6) or (resid  16  and  name O6))
weight = $pscale end
group
selection=     ((resid  18  and  name C1') or (resid  18  and  name N9) or
  (resid  18  and  name C8) or (resid  18  and  name H8) or
   (resid  18  and  name N7) or (resid  18  and  name C5) or
  (resid  18  and  name C4) or (resid  18  and  name N3) or 
  (resid  18  and  name C2) or (resid  18  and  name N2) or 
  (resid  18  and  name H21) or (resid  18  and  name H22) or 
  (resid  18  and  name N1) or (resid  18  and  name H1) or 
  (resid  18  and  name C6) or (resid  18  and  name O6))
weight = $pscale end
group
selection=     ((resid  21  and  name C1') or (resid  21  and  name N9) or
  (resid  21  and  name C8) or (resid  21  and  name H8) or
   (resid  21  and  name N7) or (resid  21  and  name C5) or
  (resid  21  and  name C4) or (resid  21  and  name N3) or 
  (resid  21  and  name C2) or (resid  21  and  name N2) or 
  (resid  21  and  name H21) or (resid  21  and  name H22) or 
  (resid  21  and  name N1) or (resid  21  and  name H1) or 
  (resid  21  and  name C6) or (resid  21  and  name O6))
weight = $pscale end
group
selection=     ((resid  29  and  name C1') or (resid  29  and  name N9) or
  (resid  29  and  name C8) or (resid  29  and  name H8) or
   (resid  29  and  name N7) or (resid  29  and  name C5) or
  (resid  29  and  name C4) or (resid  29  and  name N3) or 
  (resid  29  and  name C2) or (resid  29  and  name N2) or 
  (resid  29  and  name H21) or (resid  29  and  name H22) or 
  (resid  29  and  name N1) or (resid  29  and  name H1) or 
  (resid  29  and  name C6) or (resid  29  and  name O6))
weight = $pscale end
group
selection=     ((resid  31  and  name C1') or (resid  31  and  name N9) or
  (resid  31  and  name C8) or (resid  31  and  name H8) or
   (resid  31  and  name N7) or (resid  31  and  name C5) or
  (resid  31  and  name C4) or (resid  31  and  name N3) or 
  (resid  31  and  name C2) or (resid  31  and  name N2) or 
  (resid  31  and  name H21) or (resid  31  and  name H22) or 
  (resid  31  and  name N1) or (resid  31  and  name H1) or 
  (resid  31  and  name C6) or (resid  31  and  name O6))
weight = $pscale end
group
selection=     ((resid  32  and  name C1') or (resid  32  and  name N9) or
  (resid  32  and  name C8) or (resid  32  and  name H8) or
   (resid  32  and  name N7) or (resid  32  and  name C5) or
  (resid  32  and  name C4) or (resid  32  and  name N3) or 
  (resid  32  and  name C2) or (resid  32  and  name N2) or 
  (resid  32  and  name H21) or (resid  32  and  name H22) or 
  (resid  32  and  name N1) or (resid  32  and  name H1) or 
  (resid  32  and  name C6) or (resid  32  and  name O6))
weight = $pscale end
group
selection=     ((resid  39  and  name C1') or (resid  39  and  name N9) or
  (resid  39  and  name C8) or (resid  39  and  name H8) or
   (resid  39  and  name N7) or (resid  39  and  name C5) or
  (resid  39  and  name C4) or (resid  39  and  name N3) or 
  (resid  39  and  name C2) or (resid  39  and  name N2) or 
  (resid  39  and  name H21) or (resid  39  and  name H22) or 
  (resid  39  and  name N1) or (resid  39  and  name H1) or 
  (resid  39  and  name C6) or (resid  39  and  name O6))
weight = $pscale end
group
selection=     ((resid  40  and  name C1') or (resid  40  and  name N9) or
  (resid  40  and  name C8) or (resid  40  and  name H8) or
   (resid  40  and  name N7) or (resid  40  and  name C5) or
  (resid  40  and  name C4) or (resid  40  and  name N3) or 
  (resid  40  and  name C2) or (resid  40  and  name N2) or 
  (resid  40  and  name H21) or (resid  40  and  name H22) or 
  (resid  40  and  name N1) or (resid  40  and  name H1) or 
  (resid  40  and  name C6) or (resid  40  and  name O6))
weight = $pscale end
group
selection=     ((resid  44  and  name C1') or (resid  44  and  name N9) or
  (resid  44  and  name C8) or (resid  44  and  name H8) or
   (resid  44  and  name N7) or (resid  44  and  name C5) or
  (resid  44  and  name C4) or (resid  44  and  name N3) or 
  (resid  44  and  name C2) or (resid  44  and  name N2) or 
  (resid  44  and  name H21) or (resid  44  and  name H22) or 
  (resid  44  and  name N1) or (resid  44  and  name H1) or 
  (resid  44  and  name C6) or (resid  44  and  name O6))
weight = $pscale end
group
selection=     ((resid  46  and  name C1') or (resid  46  and  name N9) or
  (resid  46  and  name C8) or (resid  46  and  name H8) or
   (resid  46  and  name N7) or (resid  46  and  name C5) or
  (resid  46  and  name C4) or (resid  46  and  name N3) or 
  (resid  46  and  name C2) or (resid  46  and  name N2) or 
  (resid  46  and  name H21) or (resid  46  and  name H22) or 
  (resid  46  and  name N1) or (resid  46  and  name H1) or 
  (resid  46  and  name C6) or (resid  46  and  name O6))
weight = $pscale end
group
selection=     ((resid  47  and  name C1') or (resid  47  and  name N9) or
  (resid  47  and  name C8) or (resid  47  and  name H8) or
   (resid  47  and  name N7) or (resid  47  and  name C5) or
  (resid  47  and  name C4) or (resid  47  and  name N3) or 
  (resid  47  and  name C2) or (resid  47  and  name N2) or 
  (resid  47  and  name H21) or (resid  47  and  name H22) or 
  (resid  47  and  name N1) or (resid  47  and  name H1) or 
  (resid  47  and  name C6) or (resid  47  and  name O6))
weight = $pscale end
group
selection=     ((resid  49  and  name C1') or (resid  49  and  name N9) or
  (resid  49  and  name C8) or (resid  49  and  name H8) or
   (resid  49  and  name N7) or (resid  49  and  name C5) or
  (resid  49  and  name C4) or (resid  49  and  name N3) or 
  (resid  49  and  name C2) or (resid  49  and  name N2) or 
  (resid  49  and  name H21) or (resid  49  and  name H22) or 
  (resid  49  and  name N1) or (resid  49  and  name H1) or 
  (resid  49  and  name C6) or (resid  49  and  name O6))
weight = $pscale end
group
selection=     ((resid  4  and  name C1') or (resid  4  and  name N1) or
  (resid  4  and  name C2) or (resid  4  and  name O2) or
   (resid  4  and  name N3) or (resid  4  and  name C4) or
  (resid  4  and  name N4) or (resid  4  and  name H42) or 
  (resid  4  and  name H41) or (resid  4  and  name C5) or 
  (resid  4  and  name H5) or (resid  4  and  name C6) or 
  (resid  4  and  name H6))
weight = $pscale end
group
selection=     ((resid  5  and  name C1') or (resid  5  and  name N1) or
  (resid  5  and  name C2) or (resid  5  and  name O2) or
   (resid  5  and  name N3) or (resid  5  and  name C4) or
  (resid  5  and  name N4) or (resid  5  and  name H42) or 
  (resid  5  and  name H41) or (resid  5  and  name C5) or 
  (resid  5  and  name H5) or (resid  5  and  name C6) or 
  (resid  5  and  name H6))
weight = $pscale end
group
selection=     ((resid  6  and  name C1') or (resid  6  and  name N1) or
  (resid  6  and  name C2) or (resid  6  and  name O2) or
   (resid  6  and  name N3) or (resid  6  and  name C4) or
  (resid  6  and  name N4) or (resid  6  and  name H42) or 
  (resid  6  and  name H41) or (resid  6  and  name C5) or 
  (resid  6  and  name H5) or (resid  6  and  name C6) or 
  (resid  6  and  name H6))
weight = $pscale end
group
selection=     ((resid  8  and  name C1') or (resid  8  and  name N1) or
  (resid  8  and  name C2) or (resid  8  and  name O2) or
   (resid  8  and  name N3) or (resid  8  and  name C4) or
  (resid  8  and  name N4) or (resid  8  and  name H42) or 
  (resid  8  and  name H41) or (resid  8  and  name C5) or 
  (resid  8  and  name H5) or (resid  8  and  name C6) or 
  (resid  8  and  name H6))
weight = $pscale end
group
selection=     ((resid  9  and  name C1') or (resid  9  and  name N1) or
  (resid  9  and  name C2) or (resid  9  and  name O2) or
   (resid  9  and  name N3) or (resid  9  and  name C4) or
  (resid  9  and  name N4) or (resid  9  and  name H42) or 
  (resid  9  and  name H41) or (resid  9  and  name C5) or 
  (resid  9  and  name H5) or (resid  9  and  name C6) or 
  (resid  9  and  name H6))
weight = $pscale end
group
selection=     ((resid  11  and  name C1') or (resid  11  and  name N1) or
  (resid  11  and  name C2) or (resid  11  and  name O2) or
   (resid  11  and  name N3) or (resid  11  and  name C4) or
  (resid  11  and  name N4) or (resid  11  and  name H42) or 
  (resid  11  and  name H41) or (resid  11  and  name C5) or 
  (resid  11  and  name H5) or (resid  11  and  name C6) or 
  (resid  11  and  name H6))
weight = $pscale end
group
selection=     ((resid  14  and  name C1') or (resid  14  and  name N1) or
  (resid  14  and  name C2) or (resid  14  and  name O2) or
   (resid  14  and  name N3) or (resid  14  and  name C4) or
  (resid  14  and  name N4) or (resid  14  and  name H42) or 
  (resid  14  and  name H41) or (resid  14  and  name C5) or 
  (resid  14  and  name H5) or (resid  14  and  name C6) or 
  (resid  14  and  name H6))
weight = $pscale end
group
selection=     ((resid  22  and  name C1') or (resid  22  and  name N1) or
  (resid  22  and  name C2) or (resid  22  and  name O2) or
   (resid  22  and  name N3) or (resid  22  and  name C4) or
  (resid  22  and  name N4) or (resid  22  and  name H42) or 
  (resid  22  and  name H41) or (resid  22  and  name C5) or 
  (resid  22  and  name H5) or (resid  22  and  name C6) or 
  (resid  22  and  name H6))
weight = $pscale end
group
selection=     ((resid  26  and  name C1') or (resid  26  and  name N1) or
  (resid  26  and  name C2) or (resid  26  and  name O2) or
   (resid  26  and  name N3) or (resid  26  and  name C4) or
  (resid  26  and  name N4) or (resid  26  and  name H42) or 
  (resid  26  and  name H41) or (resid  26  and  name C5) or 
  (resid  26  and  name H5) or (resid  26  and  name C6) or 
  (resid  26  and  name H6))
weight = $pscale end
group
selection=     ((resid  27  and  name C1') or (resid  27  and  name N1) or
  (resid  27  and  name C2) or (resid  27  and  name O2) or
   (resid  27  and  name N3) or (resid  27  and  name C4) or
  (resid  27  and  name N4) or (resid  27  and  name H42) or 
  (resid  27  and  name H41) or (resid  27  and  name C5) or 
  (resid  27  and  name H5) or (resid  27  and  name C6) or 
  (resid  27  and  name H6))
weight = $pscale end
group
selection=     ((resid  34  and  name C1') or (resid  34  and  name N1) or
  (resid  34  and  name C2) or (resid  34  and  name O2) or
   (resid  34  and  name N3) or (resid  34  and  name C4) or
  (resid  34  and  name N4) or (resid  34  and  name H42) or 
  (resid  34  and  name H41) or (resid  34  and  name C5) or 
  (resid  34  and  name H5) or (resid  34  and  name C6) or 
  (resid  34  and  name H6))
weight = $pscale end
group
selection=     ((resid  35  and  name C1') or (resid  35  and  name N1) or
  (resid  35  and  name C2) or (resid  35  and  name O2) or
   (resid  35  and  name N3) or (resid  35  and  name C4) or
  (resid  35  and  name N4) or (resid  35  and  name H42) or 
  (resid  35  and  name H41) or (resid  35  and  name C5) or 
  (resid  35  and  name H5) or (resid  35  and  name C6) or 
  (resid  35  and  name H6))
weight = $pscale end
group
selection=     ((resid  37  and  name C1') or (resid  37  and  name N1) or
  (resid  37  and  name C2) or (resid  37  and  name O2) or
   (resid  37  and  name N3) or (resid  37  and  name C4) or
  (resid  37  and  name N4) or (resid  37  and  name H42) or 
  (resid  37  and  name H41) or (resid  37  and  name C5) or 
  (resid  37  and  name H5) or (resid  37  and  name C6) or 
  (resid  37  and  name H6))
weight = $pscale end
group
selection=     ((resid  41  and  name C1') or (resid  41  and  name N1) or
  (resid  41  and  name C2) or (resid  41  and  name O2) or
   (resid  41  and  name N3) or (resid  41  and  name C4) or
  (resid  41  and  name N4) or (resid  41  and  name H42) or 
  (resid  41  and  name H41) or (resid  41  and  name C5) or 
  (resid  41  and  name H5) or (resid  41  and  name C6) or 
  (resid  41  and  name H6))
weight = $pscale end
group
selection=     ((resid  48  and  name C1') or (resid  48  and  name N1) or
  (resid  48  and  name C2) or (resid  48  and  name O2) or
   (resid  48  and  name N3) or (resid  48  and  name C4) or
  (resid  48  and  name N4) or (resid  48  and  name H42) or 
  (resid  48  and  name H41) or (resid  48  and  name C5) or 
  (resid  48  and  name H5) or (resid  48  and  name C6) or 
  (resid  48  and  name H6))
weight = $pscale end
group
selection=     ((resid  3  and  name C1') or (resid  3  and  name N9) or
  (resid  3  and  name C8) or (resid  3  and  name H8) or
   (resid  3  and  name N7) or (resid  3  and  name C5) or
  (resid  3  and  name C4) or (resid  3  and  name N3) or 
  (resid  3  and  name C2) or (resid  3  and  name H2) or 
  (resid  3  and  name N1) or (resid  3  and  name C6) or 
  (resid  3  and  name N6) or (resid  3  and  name H61) or 
  (resid  3  and  name H62))
weight = $pscale end
group
selection=     ((resid  10  and  name C1') or (resid  10  and  name N9) or
  (resid  10  and  name C8) or (resid  10  and  name H8) or
   (resid  10  and  name N7) or (resid  10  and  name C5) or
  (resid  10  and  name C4) or (resid  10  and  name N3) or 
  (resid  10  and  name C2) or (resid  10  and  name H2) or 
  (resid  10  and  name N1) or (resid  10  and  name C6) or 
  (resid  10  and  name N6) or (resid  10  and  name H61) or 
  (resid  10  and  name H62))
weight = $pscale end
group
selection=     ((resid  15  and  name C1') or (resid  15  and  name N9) or
  (resid  15  and  name C8) or (resid  15  and  name H8) or
   (resid  15  and  name N7) or (resid  15  and  name C5) or
  (resid  15  and  name C4) or (resid  15  and  name N3) or 
  (resid  15  and  name C2) or (resid  15  and  name H2) or 
  (resid  15  and  name N1) or (resid  15  and  name C6) or 
  (resid  15  and  name N6) or (resid  15  and  name H61) or 
  (resid  15  and  name H62))
weight = $pscale end
group
selection=     ((resid  17  and  name C1') or (resid  17  and  name N9) or
  (resid  17  and  name C8) or (resid  17  and  name H8) or
   (resid  17  and  name N7) or (resid  17  and  name C5) or
  (resid  17  and  name C4) or (resid  17  and  name N3) or 
  (resid  17  and  name C2) or (resid  17  and  name H2) or 
  (resid  17  and  name N1) or (resid  17  and  name C6) or 
  (resid  17  and  name N6) or (resid  17  and  name H61) or 
  (resid  17  and  name H62))
weight = $pscale end
group
selection=     ((resid  19  and  name C1') or (resid  19  and  name N9) or
  (resid  19  and  name C8) or (resid  19  and  name H8) or
   (resid  19  and  name N7) or (resid  19  and  name C5) or
  (resid  19  and  name C4) or (resid  19  and  name N3) or 
  (resid  19  and  name C2) or (resid  19  and  name H2) or 
  (resid  19  and  name N1) or (resid  19  and  name C6) or 
  (resid  19  and  name N6) or (resid  19  and  name H61) or 
  (resid  19  and  name H62))
weight = $pscale end
group
selection=     ((resid  23  and  name C1') or (resid  23  and  name N9) or
  (resid  23  and  name C8) or (resid  23  and  name H8) or
   (resid  23  and  name N7) or (resid  23  and  name C5) or
  (resid  23  and  name C4) or (resid  23  and  name N3) or 
  (resid  23  and  name C2) or (resid  23  and  name H2) or 
  (resid  23  and  name N1) or (resid  23  and  name C6) or 
  (resid  23  and  name N6) or (resid  23  and  name H61) or 
  (resid  23  and  name H62))
weight = $pscale end
group
selection=     ((resid  24  and  name C1') or (resid  24  and  name N9) or
  (resid  24  and  name C8) or (resid  24  and  name H8) or
   (resid  24  and  name N7) or (resid  24  and  name C5) or
  (resid  24  and  name C4) or (resid  24  and  name N3) or 
  (resid  24  and  name C2) or (resid  24  and  name H2) or 
  (resid  24  and  name N1) or (resid  24  and  name C6) or 
  (resid  24  and  name N6) or (resid  24  and  name H61) or 
  (resid  24  and  name H62))
weight = $pscale end
group
selection=     ((resid  28  and  name C1') or (resid  28  and  name N9) or
  (resid  28  and  name C8) or (resid  28  and  name H8) or
   (resid  28  and  name N7) or (resid  28  and  name C5) or
  (resid  28  and  name C4) or (resid  28  and  name N3) or 
  (resid  28  and  name C2) or (resid  28  and  name H2) or 
  (resid  28  and  name N1) or (resid  28  and  name C6) or 
  (resid  28  and  name N6) or (resid  28  and  name H61) or 
  (resid  28  and  name H62))
weight = $pscale end
group
selection=     ((resid  36  and  name C1') or (resid  36  and  name N9) or
  (resid  36  and  name C8) or (resid  36  and  name H8) or
   (resid  36  and  name N7) or (resid  36  and  name C5) or
  (resid  36  and  name C4) or (resid  36  and  name N3) or 
  (resid  36  and  name C2) or (resid  36  and  name H2) or 
  (resid  36  and  name N1) or (resid  36  and  name C6) or 
  (resid  36  and  name N6) or (resid  36  and  name H61) or 
  (resid  36  and  name H62))
weight = $pscale end
group
selection=     ((resid  12  and  name C1') or (resid  12  and  name N1) or
  (resid  12  and  name C2) or (resid  12  and  name O2) or
   (resid  12  and  name N3) or (resid  12  and  name H3) or
  (resid  12  and  name C4) or (resid  12  and  name O4) or 
  (resid  12  and  name C5) or (resid  12  and  name H5) or 
  (resid  12  and  name C6) or (resid  12  and  name H6))
weight = $pscale end
group
selection=     ((resid  20  and  name C1') or (resid  20  and  name N1) or
  (resid  20  and  name C2) or (resid  20  and  name O2) or
   (resid  20  and  name N3) or (resid  20  and  name H3) or
  (resid  20  and  name C4) or (resid  20  and  name O4) or 
  (resid  20  and  name C5) or (resid  20  and  name H5) or 
  (resid  20  and  name C6) or (resid  20  and  name H6))
weight = $pscale end
group
selection=     ((resid  25  and  name C1') or (resid  25  and  name N1) or
  (resid  25  and  name C2) or (resid  25  and  name O2) or
   (resid  25  and  name N3) or (resid  25  and  name H3) or
  (resid  25  and  name C4) or (resid  25  and  name O4) or 
  (resid  25  and  name C5) or (resid  25  and  name H5) or 
  (resid  25  and  name C6) or (resid  25  and  name H6))
weight = $pscale end
group
selection=     ((resid  30  and  name C1') or (resid  30  and  name N1) or
  (resid  30  and  name C2) or (resid  30  and  name O2) or
   (resid  30  and  name N3) or (resid  30  and  name H3) or
  (resid  30  and  name C4) or (resid  30  and  name O4) or 
  (resid  30  and  name C5) or (resid  30  and  name H5) or 
  (resid  30  and  name C6) or (resid  30  and  name H6))
weight = $pscale end
group
selection=     ((resid  33  and  name C1') or (resid  33  and  name N1) or
  (resid  33  and  name C2) or (resid  33  and  name O2) or
   (resid  33  and  name N3) or (resid  33  and  name H3) or
  (resid  33  and  name C4) or (resid  33  and  name O4) or 
  (resid  33  and  name C5) or (resid  33  and  name H5) or 
  (resid  33  and  name C6) or (resid  33  and  name H6))
weight = $pscale end
group
selection=     ((resid  38  and  name C1') or (resid  38  and  name N1) or
  (resid  38  and  name C2) or (resid  38  and  name O2) or
   (resid  38  and  name N3) or (resid  38  and  name H3) or
  (resid  38  and  name C4) or (resid  38  and  name O4) or 
  (resid  38  and  name C5) or (resid  38  and  name H5) or 
  (resid  38  and  name C6) or (resid  38  and  name H6))
weight = $pscale end
group
selection=     ((resid  42  and  name C1') or (resid  42  and  name N1) or
  (resid  42  and  name C2) or (resid  42  and  name O2) or
   (resid  42  and  name N3) or (resid  42  and  name H3) or
  (resid  42  and  name C4) or (resid  42  and  name O4) or 
  (resid  42  and  name C5) or (resid  42  and  name H5) or 
  (resid  42  and  name C6) or (resid  42  and  name H6))
weight = $pscale end
group
selection=     ((resid  43  and  name C1') or (resid  43  and  name N1) or
  (resid  43  and  name C2) or (resid  43  and  name O2) or
   (resid  43  and  name N3) or (resid  43  and  name H3) or
  (resid  43  and  name C4) or (resid  43  and  name O4) or 
  (resid  43  and  name C5) or (resid  43  and  name H5) or 
  (resid  43  and  name C6) or (resid  43  and  name H6))
weight = $pscale end
group
selection=     ((resid  45  and  name C1') or (resid  45  and  name N1) or
  (resid  45  and  name C2) or (resid  45  and  name O2) or
   (resid  45  and  name N3) or (resid  45  and  name H3) or
  (resid  45  and  name C4) or (resid  45  and  name O4) or 
  (resid  45  and  name C5) or (resid  45  and  name H5) or 
  (resid  45  and  name C6) or (resid  45  and  name H6))
weight = $pscale end


Base pair planarity restraints

evaluate ($pscale = 15)  
group
selection=     ((resid  1  and  name N1) or (resid  1  and  name N3) or
  (resid  1  and  name C5) or (resid 35  and  name N1) or
   (resid 35  and  name N3) or (resid 35  and  name C5))
weight = $pscale end
group
selection=     ((resid   2  and  name N1) or (resid  2  and  name N3) or
  (resid   2  and  name C5) or (resid 34  and  name N1) or
   (resid  34  and  name N3) or (resid 34  and  name C5))
weight = $pscale end
group
selection=     ((resid  3  and  name N1) or (resid  3  and  name N3) or
  (resid  3  and  name C5) or (resid 33  and  name N1) or
   (resid 33  and  name N3) or (resid 33  and  name C5))
weight = $pscale end
group
selection=     ((resid  4  and  name N1) or (resid  4  and  name N3) or
  (resid  4  and  name C5) or (resid 32  and  name N1) or
   (resid 32  and  name N3) or (resid 32  and  name C5))
weight = $pscale end
group
selection=     ((resid  5  and  name N1) or (resid  5  and  name N3) or
  (resid  5  and  name C5) or (resid 31  and  name N1) or
   (resid 31  and  name N3) or (resid 31  and  name C5))
weight = $pscale end
group
selection=     ((resid 12  and  name N1) or (resid 12  and  name N3) or
  (resid  12  and  name C5) or (resid 23  and  name N1) or
   (resid 23  and  name N3) or (resid 23  and  name C5))
weight = $pscale end

group
selection=     ((resid  13  and  name N1) or (resid  13  and  name N3) or
  (resid  13  and  name C5) or (resid 22  and  name N1) or
   (resid 22  and  name N3) or (resid 22  and  name C5))
weight = $pscale end
group
selection=     ((resid   14  and  name N1) or (resid  14  and  name N3) or
  (resid   14  and  name C5) or (resid 21  and  name N1) or
   (resid  21  and  name N3) or (resid 21  and  name C5))
weight = $pscale end
group
selection=     ((resid  15  and  name N1) or (resid  15  and  name N3) or
  (resid  15  and  name C5) or (resid 20  and  name N1) or
   (resid 20  and  name N3) or (resid 20  and  name C5))
weight = $pscale end
group
selection=     ((resid 16  and  name N1) or (resid 16  and  name N3) or
  (resid 16  and  name C5) or (resid 19  and  name N1) or
   (resid 19  and  name N3) or (resid 19  and  name C5))
weight = $pscale end
group
selection=     ((resid  40  and  name N1) or (resid  40  and  name N3) or
  (resid  40  and  name C5) or (resid 26  and  name N1) or
   (resid 26  and  name N3) or (resid 26  and  name C5))
weight = $pscale end
group
selection=     ((resid  39  and  name N1) or (resid 39  and  name N3) or
  (resid  39  and  name C5) or (resid 27  and  name N1) or
   (resid 27  and  name N3) or (resid 27  and  name C5))
weight = $pscale end
group
selection=     ((resid  28  and  name N1) or (resid  28  and  name N3) or
  (resid  28  and  name C5) or (resid 38  and  name N1) or
   (resid 38  and  name N3) or (resid 38  and  name C5))
weight = $pscale end
group
selection=     ((resid   37  and  name N1) or (resid  37  and  name N3) or
  (resid   37  and  name C5) or (resid 29  and  name N1) or
   (resid  29  and  name N3) or (resid 29  and  name C5))
weight = $pscale end
group
selection=     ((resid   11  and  name N1) or (resid  11  and  name N3) or
  (resid   11  and  name C5) or (resid 44  and  name N1) or
   (resid  44  and  name N3) or (resid 44  and  name C5))
weight = $pscale end
group
selection=     ((resid  10  and  name N1) or (resid  10  and  name N3) or
  (resid  10  and  name C5) or (resid 45  and  name N1) or
   (resid 45  and  name N3) or (resid 45  and  name C5))
weight = $pscale end
group
selection=     ((resid   9  and  name N1) or (resid  9  and  name N3) or
  (resid   9  and  name C5) or (resid 46  and  name N1) or
   (resid  46  and  name N3) or (resid 46  and  name C5))
weight = $pscale end
group
selection=     ((resid   8  and  name N1) or (resid  8  and  name N3) or
  (resid   8  and  name C5) or (resid 47  and  name N1) or
   (resid  47  and  name N3) or (resid 47  and  name C5))
weight = $pscale end
group
selection=     ((resid  7  and  name N1) or (resid 7  and  name N3) or
  (resid  7  and  name C5) or (resid 48  and  name N1) or
   (resid 48  and  name N3) or (resid 48  and  name C5))
weight = $pscale end
group
selection=     ((resid   6  and  name N1) or (resid  6  and  name N3) or
  (resid   6  and  name C5) or (resid 49  and  name N1) or
   (resid  49  and  name N3) or (resid 49  and  name C5))
weight = $pscale end
group
selection=     ((resid  36  and  name N1) or (resid  36  and  name N3) or
  (resid  36  and  name C5) or (resid 30  and  name N1) or
   (resid 30  and  name N3) or (resid 30  and  name C5))
weight = $pscale end





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5*         G   1  -9.828 -38.588 -10.125
    2   2H5*    G   1          H5**        G   1  -8.168 -38.134  -9.749
    3    H4*    G   1           H4*        G   1  -8.173 -37.973 -11.970
    4    H3*    G   1           H3*        G   1  -7.886 -35.525 -10.758
    5    H2*    G   1           H2*        G   1  -9.795 -34.426 -11.460
    6   2HO*    G   1          2HO*        G   1  -7.964 -34.070 -13.242
    7    H1*    G   1           H1*        G   1 -10.297 -36.083 -13.926
    8    H8     G   1           H8         G   1 -11.950 -36.302 -10.496
    9    H1     G   1           H1         G   1 -15.403 -33.353 -14.993
   10   1H2     G   1          H21         G   1 -14.523 -33.096 -16.603
   11   2H2     G   1          H22         G   1 -12.976 -33.442 -17.141
   12    H5T    G   1           H5T        G   1  -8.858 -36.417  -8.730
   13   1H5*    G   2          H5*         G   2  -5.818 -33.950 -14.575
   14   2H5*    G   2          H5**        G   2  -4.474 -33.137 -13.765
   15    H4*    G   2           H4*        G   2  -5.655 -31.503 -14.974
   16    H3*    G   2           H3*        G   2  -6.338 -31.184 -12.042
   17    H2*    G   2           H2*        G   2  -7.481 -29.202 -12.751
   18   2HO*    G   2          2HO*        G   2  -6.627 -28.140 -14.425
   19    H1*    G   2           H1*        G   2  -8.501 -30.447 -15.080
   20    H8     G   2           H8         G   2  -8.731 -32.219 -11.648
   21    H1     G   2           H1         G   2 -13.833 -28.825 -13.526
   22   1H2     G   2          H22         G   2 -13.373 -27.736 -15.368
   23   2H2     G   2          H21         G   2 -11.791 -27.867 -16.120
   24   1H5*    A   3          H5*         A   3  -4.308 -27.973 -14.262
   25   2H5*    A   3          H5**        A   3  -3.456 -26.822 -13.222
   26    H4*    A   3           H4*        A   3  -4.989 -25.761 -14.865
   27    H3*    A   3           H3*        A   3  -5.424 -25.231 -11.938
   28    H2*    A   3           H2*        A   3  -7.236 -23.842 -12.536
   29   2HO*    A   3          2HO*        A   3  -6.671 -22.560 -14.209
   30    H1*    A   3           H1*        A   3  -8.064 -25.377 -14.778
   31    H8     A   3           H8         A   3  -7.606 -27.063 -11.346
   32   1H6     A   3          H61         A   3 -13.778 -26.157 -10.902
   33   2H6     A   3          H62         A   3 -12.544 -26.883 -10.006
   34    H2     A   3           H2         A   3 -12.390 -24.156 -14.491
   35   1H5*    C   4          H5*         C   4  -4.720 -21.889 -14.341
   36   2H5*    C   4          H5**        C   4  -3.748 -20.585 -13.644
   37    H4*    C   4           H4*        C   4  -5.819 -19.711 -14.508
   38    H3*    C   4           H3*        C   4  -5.563 -19.599 -11.496
   39    H2*    C   4           H2*        C   4  -7.585 -18.304 -11.544
   40   2HO*    C   4          2HO*        C   4  -6.820 -17.582 -13.917
   41    H1*    C   4           H1*        C   4  -8.902 -20.078 -13.192
   42   1H4     C   4          H41         C   4 -10.201 -21.845  -7.379
   43   2H4     C   4          H42         C   4  -9.090 -23.133  -7.254
   44    H5     C   4           H5         C   4  -7.278 -23.243  -9.229
   45    H6     C   4           H6         C   4  -6.716 -22.205 -11.358
   46   1H5*    C   5          H5*         C   5  -6.348 -16.019 -12.810
   47   2H5*    C   5          H5**        C   5  -5.383 -14.651 -12.238
   48    H4*    C   5           H4*        C   5  -7.789 -14.336 -11.839
   49    H3*    C   5           H3*        C   5  -5.766 -13.981 -10.029
   50    H2*    C   5           H2*        C   5  -6.388 -15.332  -8.272
   51   2HO*    C   5          2HO*        C   5  -8.072 -13.197  -8.259
   52    H1*    C   5           H1*        C   5  -9.265 -15.513  -9.277
   53   1H4     C   5          H42         C   5  -8.704 -20.505  -5.282
   54   2H4     C   5          H41         C   5  -7.103 -20.804  -5.907
   55    H5     C   5           H5         C   5  -6.002 -19.482  -7.564
   56    H6     C   5           H6         C   5  -6.209 -17.586  -9.050
   57   1H5*    C   6          H5*         C   6  -6.633 -12.510  -6.589
   58   2H5*    C   6          H5**        C   6  -6.099 -10.847  -6.733
   59    H4*    C   6           H4*        C   6  -5.091 -12.231  -4.921
   60    H3*    C   6           H3*        C   6  -4.023 -10.004  -5.767
   61    H2*    C   6           H2*        C   6  -3.220 -11.251  -7.836
   62   2HO*    C   6          2HO*        C   6  -1.297 -10.394  -5.967
   63    H1*    C   6           H1*        C   6  -1.844 -13.027  -5.737
   64   1H4     C   6          H41         C   6   0.231 -15.770 -11.157
   65   2H4     C   6          H42         C   6  -1.431 -15.882 -11.751
   66    H5     C   6           H5         C   6  -3.336 -14.938 -10.526
   67    H6     C   6           H6         C   6  -3.908 -13.690  -8.477
   68   1H5*    G   7          H5*         G   7  -0.023 -11.554  -4.318
   69   2H5*    G   7          H5**        G   7   0.578 -10.316  -3.216
   70    H4*    G   7           H4*        G   7   2.135 -10.979  -5.036
   71    H3*    G   7           H3*        G   7   1.478  -8.062  -4.672
   72    H2*    G   7           H2*        G   7   2.924  -7.613  -6.525
   73   2HO*    G   7          2HO*        G   7   4.218  -9.708  -5.573
   74    H1*    G   7           H1*        G   7   2.180  -9.903  -8.047
   75    H8     G   7           H8         G   7  -1.025  -8.466  -6.946
   76    H1     G   7           H1         G   7   1.610  -5.153 -11.776
   77   1H2     G   7          H22         G   7   3.654  -5.747 -12.075
   78   2H2     G   7          H21         G   7   4.427  -6.970 -11.070
   79   1H5*    C   8          H5*         C   8   5.843  -8.670  -4.286
   80   2H5*    C   8          H5**        C   8   6.469  -7.579  -3.040
   81    H4*    C   8           H4*        C   8   7.669  -7.315  -5.143
   82    H3*    C   8           H3*        C   8   6.102  -4.910  -4.214
   83    H2*    C   8           H2*        C   8   6.829  -3.764  -6.173
   84   2HO*    C   8          2HO*        C   8   9.034  -4.924  -5.843
   85    H1*    C   8           H1*        C   8   6.753  -6.010  -7.890
   86   1H4     C   8          H41         C   8   1.784  -2.955  -9.771
   87   2H4     C   8          H42         C   8   0.722  -3.216  -8.453
   88    H5     C   8           H5         C   8   1.760  -4.630  -6.434
   89    H6     C   8           H6         C   8   3.865  -5.629  -5.678
   90   1H5*    C   9          H5*         C   9  10.418  -3.775  -5.583
   91   2H5*    C   9          H5**        C   9  10.813  -2.583  -4.338
   92    H4*    C   9           H4*        C   9  11.010  -1.938  -6.818
   93    H3*    C   9           H3*        C   9   9.937  -0.188  -4.634
   94    H2*    C   9           H2*        C   9   9.437   1.484  -6.253
   95   2HO*    C   9          2HO*        C   9  11.603   0.607  -7.352
   96    H1*    C   9           H1*        C   9   8.567  -0.264  -8.306
   97   1H4     C   9          H42         C   9   2.881   1.467  -5.759
   98   2H4     C   9          H41         C   9   3.207   0.318  -4.502
   99    H5     C   9           H5         C   9   5.187  -0.905  -4.208
  100    H6     C   9           H6         C   9   7.397  -1.328  -5.060
  101   1H5*    A  10          H5*         A  10  13.353   1.827  -6.340
  102   2H5*    A  10          H5**        A  10  14.303   2.681  -5.113
  103    H4*    A  10           H4*        A  10  13.462   4.208  -6.808
  104    H3*    A  10           H3*        A  10  12.443   4.634  -4.017
  105    H2*    A  10           H2*        A  10  11.069   6.369  -4.805
  106   2HO*    A  10          2HO*        A  10  12.155   7.701  -6.113
  107    H1*    A  10           H1*        A  10  10.696   5.293  -7.416
  108    H8     A  10           H8         A  10   9.584   3.241  -4.328
  109   1H6     A  10          H61         A  10   3.995   5.539  -5.817
  110   2H6     A  10          H62         A  10   4.651   4.465  -4.694
  111    H2     A  10           H2         A  10   6.891   7.436  -8.392
  112   1H5*    C  11          H5*         C  11  14.381   7.980  -5.941
  113   2H5*    C  11          H5**        C  11  15.228   9.131  -4.893
  114    H4*    C  11           H4*        C  11  13.455  10.086  -6.422
  115    H3*    C  11           H3*        C  11  13.653  10.748  -3.530
  116    H2*    C  11           H2*        C  11  11.483  11.658  -3.438
  117   2HO*    C  11          2HO*        C  11  12.271  12.695  -5.685
  118    H1*    C  11           H1*        C  11  10.328  10.274  -5.643
  119   1H4     C  11          H42         C  11   6.884   7.983  -0.796
  120   2H4     C  11          H41         C  11   8.180   6.867  -0.436
  121    H5     C  11           H5         C  11  10.327   6.867  -1.556
  122    H6     C  11           H6         C  11  11.669   7.974  -3.220
  123   1H5*    U  12          H5*         U  12  12.711  14.614  -5.302
  124   2H5*    U  12          H5**        U  12  13.937  15.730  -4.689
  125    H4*    U  12           H4*        U  12  11.573  16.419  -4.334
  126    H3*    U  12           H3*        U  12  13.534  16.399  -2.066
  127    H2*    U  12           H2*        U  12  11.784  17.050  -0.594
  128   2HO*    U  12          2HO*        U  12  10.889  18.371  -2.572
  129    H1*    U  12           H1*        U  12   9.778  15.409  -1.646
  130    H3     U  12           H3         U  12  11.277  14.081   2.632
  131    H5     U  12           H5         U  12  12.934  11.530  -0.276
  132    H6     U  12           H6         U  12  12.214  13.063  -1.927
  133   1H5*    G  13          H5*         G  13  11.557  20.068  -2.043
  134   2H5*    G  13          H5**        G  13  12.478  21.373  -1.307
  135    H4*    G  13           H4*        G  13  10.316  20.235  -0.243
  136    H3*    G  13           H3*        G  13  11.942  22.211   0.690
  137    H2*    G  13           H2*        G  13  13.301  21.015   2.184
  138   2HO*    G  13          2HO*        G  13  10.852  21.538   3.337
  139    H1*    G  13           H1*        G  13  11.260  18.871   2.762
  140    H8     G  13           H8         G  13  14.030  17.821   0.534
  141    H1     G  13           H1         G  13  15.531  17.565   6.763
  142   1H2     G  13          H21         G  13  14.185  18.516   7.869
  143   2H2     G  13          H22         G  13  12.750  19.273   7.340
  144   1H5*    C  14          H5*         C  14   8.567  22.845   4.058
  145   2H5*    C  14          H5**        C  14   8.518  24.610   3.995
  146    H4*    C  14           H4*        C  14   8.955  23.801   6.230
  147    H3*    C  14           H3*        C  14  11.314  25.320   5.118
  148    H2*    C  14           H2*        C  14  12.258  25.057   7.264
  149   2HO*    C  14          2HO*        C  14  10.970  25.110   8.964
  150    H1*    C  14           H1*        C  14  11.175  22.436   7.614
  151   1H4     C  14          H41         C  14  17.261  21.757   7.271
  152   2H4     C  14          H42         C  14  17.511  21.748   5.606
  153    H5     C  14           H5         C  14  15.299  22.417   4.163
  154    H6     C  14           H6         C  14  12.908  22.940   4.440
  155   1H5*    A  15          H5*         A  15   9.712  27.015   8.935
  156   2H5*    A  15          H5**        A  15  10.286  28.680   9.088
  157    H4*    A  15           H4*        A  15  10.868  27.210  10.990
  158    H3*    A  15           H3*        A  15  13.143  28.585   9.552
  159    H2*    A  15           H2*        A  15  14.551  27.661  11.243
  160   2HO*    A  15          2HO*        A  15  12.484  28.010  12.772
  161    H1*    A  15           H1*        A  15  13.190  25.186  11.394
  162    H8     A  15           H8         A  15  14.252  26.721   8.010
  163   1H6     A  15          H62         A  15  19.214  23.001   8.538
  164   2H6     A  15          H61         A  15  18.368  24.137   7.488
  165    H2     A  15           H2         A  15  16.831  22.673  12.273
  166   1H5*    G  16          H5*         G  16  13.873  29.549  13.581
  167   2H5*    G  16          H5**        G  16  14.257  31.277  13.563
  168    H4*    G  16           H4*        G  16  16.061  30.170  14.573
  169    H3*    G  16           H3*        G  16  16.834  30.946  11.748
  170    H2*    G  16           H2*        G  16  19.070  30.401  12.490
  171   2HO*    G  16          2HO*        G  16  19.414  29.635  14.673
  172    H1*    G  16           H1*        G  16  18.162  27.915  13.445
  173    H8     G  16           H8         G  16  16.295  29.309  10.432
  174    H1     G  16           H1         G  16  21.187  25.425   9.000
  175   1H2     G  16          H22         G  16  22.309  24.947  10.761
  176   2H2     G  16          H21         G  16  21.873  25.576  12.339
  177   1H5*    A  17          H5*         A  17  18.882  35.273  11.458
  178   2H5*    A  17          H5**        A  17  19.111  34.252  10.024
  179    H4*    A  17           H4*        A  17  21.285  34.705  10.793
  180    H3*    A  17           H3*        A  17  20.423  31.957  11.704
  181    H2*    A  17           H2*        A  17  22.387  31.709  12.835
  182   2HO*    A  17          2HO*        A  17  23.784  32.375  11.119
  183    H1*    A  17           H1*        A  17  22.732  34.434  13.572
  184    H8     A  17           H8         A  17  19.484  32.559  14.390
  185   1H6     A  17          H62         A  17  22.218  31.349  19.844
  186   2H6     A  17          H61         A  17  20.710  31.211  18.944
  187    H2     A  17           H2         A  17  25.197  33.298  17.240
  188   1H5*    G  18          H5*         G  18  24.807  29.171   9.828
  189   2H5*    G  18          H5**        G  18  23.378  28.680  10.748
  190    H4*    G  18           H4*        G  18  25.827  30.114  11.746
  191    H3*    G  18           H3*        G  18  24.479  27.510  12.485
  192    H2*    G  18           H2*        G  18  25.187  27.871  14.750
  193   2HO*    G  18          2HO*        G  18  27.254  28.980  13.608
  194    H1*    G  18           H1*        G  18  24.721  30.645  14.749
  195    H8     G  18           H8         G  18  21.635  29.452  13.211
  196    H1     G  18           H1         G  18  21.934  28.031  19.458
  197   1H2     G  18          H21         G  18  23.987  28.282  20.192
  198   2H2     G  18          H22         G  18  25.277  28.801  19.125
  199   1H5*    A  19          H5*         A  19  27.509  26.770  15.051
  200   2H5*    A  19          H5**        A  19  28.048  25.137  14.620
  201    H4*    A  19           H4*        A  19  27.256  25.117  16.867
  202    H3*    A  19           H3*        A  19  25.437  23.644  14.957
  203    H2*    A  19           H2*        A  19  24.119  23.039  16.872
  204   2HO*    A  19          2HO*        A  19  26.325  23.055  18.167
  205    H1*    A  19           H1*        A  19  24.082  25.583  17.967
  206    H8     A  19           H8         A  19  24.051  25.578  14.179
  207   1H6     A  19          H62         A  19  17.875  25.600  14.558
  208   2H6     A  19          H61         A  19  19.240  25.752  13.454
  209    H2     A  19           H2         A  19  19.497  24.977  18.643
  210   1H5*    U  20          H5*         U  20  25.059  20.931  16.969
  211   2H5*    U  20          H5**        U  20  25.069  19.415  16.066
  212    H4*    U  20           H4*        U  20  22.842  20.370  16.894
  213    H3*    U  20           H3*        U  20  23.124  19.355  14.060
  214    H2*    U  20           H2*        U  20  20.763  19.658  13.966
  215   2HO*    U  20          2HO*        U  20  20.762  19.087  16.484
  216    H1*    U  20           H1*        U  20  20.828  22.145  15.290
  217    H3     U  20           H3         U  20  19.288  22.492  10.959
  218    H5     U  20           H5         U  20  23.463  22.786  10.711
  219    H6     U  20           H6         U  20  23.570  22.141  13.037
  220   1H5*    G  21          H5*         G  21  20.303  17.001  16.330
  221   2H5*    G  21          H5**        G  21  19.716  15.565  15.498
  222    H4*    G  21           H4*        G  21  18.301  17.825  15.938
  223    H3*    G  21           H3*        G  21  17.639  15.464  14.587
  224    H2*    G  21           H2*        G  21  17.727  16.332  12.403
  225   2HO*    G  21          2HO*        G  21  15.789  17.830  12.050
  226    H1*    G  21           H1*        G  21  17.148  19.135  13.443
  227    H8     G  21           H8         G  21  20.435  18.343  11.798
  228    H1     G  21           H1         G  21  15.872  20.530   7.848
  229   1H2     G  21          H22         G  21  13.956  20.568   8.863
  230   2H2     G  21          H21         G  21  13.821  19.997  10.511
  231   1H5*    C  22          H5*         C  22  13.384  17.441  15.143
  232   2H5*    C  22          H5**        C  22  12.448  16.052  15.722
  233    H4*    C  22           H4*        C  22  11.329  16.997  13.847
  234    H3*    C  22           H3*        C  22  12.569  14.333  13.180
  235    H2*    C  22           H2*        C  22  11.625  14.572  11.015
  236   2HO*    C  22          2HO*        C  22   9.592  15.354  11.107
  237    H1*    C  22           H1*        C  22  11.943  17.408  10.948
  238   1H4     C  22          H42         C  22  16.447  15.821   6.779
  239   2H4     C  22          H41         C  22  17.271  14.857   7.985
  240    H5     C  22           H5         C  22  16.461  14.500  10.212
  241    H6     C  22           H6         C  22  14.668  15.011  11.782
  242   1H5*    A  23          H5*         A  23   8.250  15.151  12.860
  243   2H5*    A  23          H5**        A  23   7.266  13.714  13.148
  244    H4*    A  23           H4*        A  23   6.563  15.102  11.231
  245    H3*    A  23           H3*        A  23   6.319  12.417  11.394
  246    H2*    A  23           H2*        A  23   8.352  11.988  10.159
  247   2HO*    A  23          2HO*        A  23   6.034  11.581   8.881
  248    H1*    A  23           H1*        A  23   7.422  14.306   8.343
  249    H8     A  23           H8         A  23  10.699  12.853   9.839
  250   1H6     A  23          H62         A  23  12.878  13.177   4.037
  251   2H6     A  23          H61         A  23  13.284  12.778   5.707
  252    H2     A  23           H2         A  23   8.665  14.524   3.976
  253   1H5*    A  24          H5*         A  24   4.888  10.309   7.938
  254   2H5*    A  24          H5**        A  24   3.550  11.466   7.906
  255    H4*    A  24           H4*        A  24   2.564   9.686   9.646
  256    H3*    A  24           H3*        A  24   4.284   7.985   7.812
  257    H2*    A  24           H2*        A  24   2.568   6.338   8.186
  258   2HO*    A  24          2HO*        A  24   2.031   6.975  10.391
  259    H1*    A  24           H1*        A  24   0.551   8.172   7.575
  260    H8     A  24           H8         A  24   2.240   9.589   5.006
  261   1H6     A  24          H61         A  24   2.473   4.279   1.782
  262   2H6     A  24          H62         A  24   2.648   6.026   1.636
  263    H2     A  24           H2         A  24   1.528   3.269   5.946
  264   1H5*    U  25          H5*         U  25   3.278   6.134  12.267
  265   2H5*    U  25          H5**        U  25   4.035   4.549  12.153
  266    H4*    U  25           H4*        U  25   1.897   4.247  12.950
  267    H3*    U  25           H3*        U  25   1.762   3.326  10.082
  268    H2*    U  25           H2*        U  25  -0.330   2.400  10.803
  269   2HO*    U  25          2HO*        U  25  -0.422   1.764  12.874
  270    H1*    U  25           H1*        U  25  -0.940   4.746  12.273
  271    H3     U  25           H3         U  25  -4.153   4.345   9.129
  272    H5     U  25           H5         U  25  -0.825   5.651   6.964
  273    H6     U  25           H6         U  25   0.503   5.358   8.952
  274   1H5*    C  26          H5*         C  26   1.377   0.400  13.391
  275   2H5*    C  26          H5**        C  26   1.611  -1.260  12.840
  276    H4*    C  26           H4*        C  26  -0.396  -0.925  14.231
  277    H3*    C  26           H3*        C  26  -0.796  -2.093  11.479
  278    H2*    C  26           H2*        C  26  -3.108  -2.241  12.030
  279   2HO*    C  26          2HO*        C  26  -2.243  -2.831  14.377
  280    H1*    C  26           H1*        C  26  -3.190   0.137  13.591
  281   1H4     C  26          H41         C  26  -6.288   1.932   8.494
  282   2H4     C  26          H42         C  26  -5.089   1.711   7.359
  283    H5     C  26           H5         C  26  -2.776   0.828   8.227
  284    H6     C  26           H6         C  26  -1.633   0.015  10.224
  285   1H5*    C  27          H5*         C  27  -2.482  -4.757  14.301
  286   2H5*    C  27          H5**        C  27  -2.577  -6.363  13.609
  287    H4*    C  27           H4*        C  27  -4.685  -4.991  14.280
  288    H3*    C  27           H3*        C  27  -4.596  -6.933  11.987
  289    H2*    C  27           H2*        C  27  -6.934  -6.537  11.829
  290   2HO*    C  27          2HO*        C  27  -6.905  -6.326  14.361
  291    H1*    C  27           H1*        C  27  -6.698  -3.747  12.403
  292   1H4     C  27          H41         C  27  -8.077  -4.538   6.280
  293   2H4     C  27          H42         C  27  -6.548  -4.059   5.745
  294    H5     C  27           H5         C  27  -4.645  -3.864   7.583
  295    H6     C  27           H6         C  27  -4.269  -3.960  10.002
  296   1H5*    A  28          H5*         A  28  -7.582  -8.684  13.733
  297   2H5*    A  28          H5**        A  28  -7.188 -10.401  13.905
  298    H4*    A  28           H4*        A  28  -9.091 -10.389  12.627
  299    H3*    A  28           H3*        A  28  -6.841 -10.639  10.627
  300    H2*    A  28           H2*        A  28  -8.602 -11.119   9.090
  301   2HO*    A  28          2HO*        A  28 -10.312 -12.155   9.938
  302    H1*    A  28           H1*        A  28 -10.200  -9.025  10.109
  303    H8     A  28           H8         A  28  -6.389  -8.801   9.299
  304   1H6     A  28          H62         A  28  -8.416  -6.244   3.983
  305   2H6     A  28          H61         A  28  -6.967  -6.655   4.895
  306    H2     A  28           H2         A  28 -11.929  -7.447   6.363
  307   1H5*    G  29          H5*         G  29  -9.494 -14.022  11.472
  308   2H5*    G  29          H5**        G  29  -9.045 -15.589  10.800
  309    H4*    G  29           H4*        G  29 -11.381 -14.483  10.369
  310    H3*    G  29           H3*        G  29 -10.456 -16.715   9.292
  311    H2*    G  29           H2*        G  29  -9.032 -15.379   7.750
  312   2HO*    G  29          2HO*        G  29 -11.406 -16.461   6.554
  313    H1*    G  29           H1*        G  29 -11.707 -13.956   7.186
  314    H8     G  29           H8         G  29  -7.893 -13.266   7.238
  315    H1     G  29           H1         G  29 -11.129 -10.852   2.254
  316   1H2     G  29          H22         G  29 -13.230 -11.412   2.411
  317   2H2     G  29          H21         G  29 -13.834 -12.387   3.743
  318   1H5*    U  30          H5*         U  30 -13.531 -15.107   6.358
  319   2H5*    U  30          H5**        U  30 -14.807 -16.326   6.370
  320    H4*    U  30           H4*        U  30 -14.696 -15.567   4.210
  321    H3*    U  30           H3*        U  30 -13.209 -18.195   4.173
  322    H2*    U  30           H2*        U  30 -13.396 -17.918   1.809
  323   2HO*    U  30          2HO*        U  30 -14.982 -16.746   0.972
  324    H1*    U  30           H1*        U  30 -12.651 -15.217   1.951
  325    H3     U  30           H3         U  30  -9.421 -17.585  -0.282
  326    H5     U  30           H5         U  30  -8.583 -18.169   3.775
  327    H6     U  30           H6         U  30 -10.692 -17.108   4.280
  328   1H5*    G  31          H5*         G  31 -16.870 -17.742   1.965
  329   2H5*    G  31          H5**        G  31 -17.642 -19.246   1.458
  330    H4*    G  31           H4*        G  31 -17.196 -17.584  -0.361
  331    H3*    G  31           H3*        G  31 -16.102 -20.382  -0.653
  332    H2*    G  31           H2*        G  31 -15.494 -19.719  -2.854
  333   2HO*    G  31          2HO*        G  31 -17.088 -18.476  -3.698
  334    H1*    G  31           H1*        G  31 -14.614 -17.146  -2.062
  335    H8     G  31           H8         G  31 -13.314 -19.921   0.213
  336    H1     G  31           H1         G  31 -10.029 -19.072  -5.225
  337   1H2     G  31          H21         G  31 -10.875 -17.927  -6.432
  338   2H2     G  31          H22         G  31 -12.302 -17.039  -6.340
  339   1H5*    G  32          H5*         G  32 -18.924 -19.083  -3.522
  340   2H5*    G  32          H5**        G  32 -19.951 -20.350  -4.196
  341    H4*    G  32           H4*        G  32 -18.718 -18.883  -5.854
  342    H3*    G  32           H3*        G  32 -18.567 -21.883  -6.007
  343    H2*    G  32           H2*        G  32 -17.268 -21.615  -7.946
  344   2HO*    G  32          2HO*        G  32 -18.047 -20.063  -9.249
  345    H1*    G  32           H1*        G  32 -15.902 -19.297  -7.048
  346    H8     G  32           H8         G  32 -15.931 -22.337  -4.739
  347    H1     G  32           H1         G  32 -11.180 -22.181  -9.021
  348   1H2     G  32          H21         G  32 -11.357 -20.806 -10.283
  349   2H2     G  32          H22         G  32 -12.486 -19.582 -10.506
  350   1H5*    U  33          H5*         U  33 -20.306 -19.818  -9.591
  351   2H5*    U  33          H5**        U  33 -21.394 -20.930 -10.440
  352    H4*    U  33           H4*        U  33 -19.687 -19.933 -11.904
  353    H3*    U  33           H3*        U  33 -19.681 -22.947 -11.648
  354    H2*    U  33           H2*        U  33 -17.907 -22.954 -13.245
  355   2HO*    U  33          2HO*        U  33 -19.087 -20.950 -14.282
  356    H1*    U  33           H1*        U  33 -16.541 -20.755 -12.145
  357    H3     U  33           H3         U  33 -13.795 -24.288 -11.390
  358    H5     U  33           H5         U  33 -16.744 -24.568  -8.394
  359    H6     U  33           H6         U  33 -17.941 -22.826  -9.536
  360   1H5*    C  34          H5*         C  34 -19.901 -22.430 -15.734
  361   2H5*    C  34          H5**        C  34 -20.997 -23.624 -16.444
  362    H4*    C  34           H4*        C  34 -18.672 -23.780 -17.269
  363    H3*    C  34           H3*        C  34 -19.803 -26.214 -15.902
  364    H2*    C  34           H2*        C  34 -17.778 -27.306 -16.383
  365   2HO*    C  34          2HO*        C  34 -16.870 -26.906 -18.276
  366    H1*    C  34           H1*        C  34 -16.163 -24.960 -16.067
  367   1H4     C  34          H42         C  34 -14.636 -28.827 -11.321
  368   2H4     C  34          H41         C  34 -15.884 -28.130 -10.299
  369    H5     C  34           H5         C  34 -17.509 -26.520 -11.166
  370    H6     C  34           H6         C  34 -18.212 -25.295 -13.170
  371   1H5*    C  35          H5*         C  35 -18.402 -26.512 -20.152
  372   2H5*    C  35          H5**        C  35 -19.040 -27.931 -20.974
  373    H4*    C  35           H4*        C  35 -16.432 -27.352 -20.664
  374    H3*    C  35           H3*        C  35 -17.520 -29.255 -22.116
  375    H2*    C  35           H2*        C  35 -18.188 -30.535 -20.075
  376   2HO*    C  35          2HO*        C  35 -15.930 -31.461 -21.515
  377    H1*    C  35           H1*        C  35 -15.213 -30.170 -19.365
  378   1H4     C  35          H41         C  35 -16.741 -33.879 -14.574
  379   2H4     C  35          H42         C  35 -18.006 -33.004 -13.905
  380    H5     C  35           H5         C  35 -18.808 -30.866 -15.357
  381    H6     C  35           H6         C  35 -18.244 -29.592 -17.361
  382    H3T    C  35           H3T        C  35 -15.472 -28.804 -22.538
  383   1H5*    A  36          H5*         A  36 -11.617 -14.462  -8.561
  384   2H5*    A  36          H5**        A  36 -13.326 -14.219  -8.922
  385    H4*    A  36           H4*        A  36 -13.847 -13.593  -6.885
  386    H3*    A  36           H3*        A  36 -11.220 -12.187  -6.445
  387    H2*    A  36           H2*        A  36 -11.976 -12.074  -4.179
  388   2HO*    A  36          2HO*        A  36 -14.144 -11.928  -3.940
  389    H1*    A  36           H1*        A  36 -12.808 -14.764  -4.244
  390    H8     A  36           H8         A  36  -9.494 -14.790  -5.925
  391   1H6     A  36          H61         A  36  -6.987 -14.389  -0.227
  392   2H6     A  36          H62         A  36  -6.587 -14.713  -1.916
  393    H2     A  36           H2         A  36 -11.270 -13.554   0.125
  394    H5T    A  36           H5T        A  36 -12.445 -11.823  -8.501
  395   1H5*    C  37          H5*         C  37 -15.038 -10.475  -5.564
  396   2H5*    C  37          H5**        C  37 -15.208  -8.708  -5.477
  397    H4*    C  37           H4*        C  37 -16.218  -9.962  -3.555
  398    H3*    C  37           H3*        C  37 -14.112  -7.851  -3.049
  399    H2*    C  37           H2*        C  37 -14.380  -8.275  -0.720
  400   2HO*    C  37          2HO*        C  37 -16.821  -8.610  -1.234
  401    H1*    C  37           H1*        C  37 -14.608 -11.073  -0.980
  402   1H4     C  37          H42         C  37  -8.699 -10.195   1.008
  403   2H4     C  37          H41         C  37  -8.103 -10.021  -0.644
  404    H5     C  37           H5         C  37  -9.631  -9.944  -2.542
  405    H6     C  37           H6         C  37 -11.966 -10.017  -3.208
  406   1H5*    U  38          H5*         U  38 -17.651  -6.642  -0.719
  407   2H5*    U  38          H5**        U  38 -17.712  -4.881  -0.788
  408    H4*    U  38           H4*        U  38 -17.690  -5.871   1.496
  409    H3*    U  38           H3*        U  38 -15.563  -3.825   0.859
  410    H2*    U  38           H2*        U  38 -14.937  -4.021   3.152
  411   2HO*    U  38          2HO*        U  38 -16.556  -4.298   4.537
  412    H1*    U  38           H1*        U  38 -15.407  -6.821   3.274
  413    H3     U  38           H3         U  38 -10.977  -6.247   4.266
  414    H5     U  38           H5         U  38 -11.182  -6.241   0.086
  415    H6     U  38           H6         U  38 -13.584  -6.138   0.276
  416   1H5*    G  39          H5*         G  39 -17.885  -2.876   4.532
  417   2H5*    G  39          H5**        G  39 -18.128  -1.126   4.474
  418    H4*    G  39           H4*        G  39 -17.210  -1.807   6.611
  419    H3*    G  39           H3*        G  39 -15.408  -0.100   4.904
  420    H2*    G  39           H2*        G  39 -13.975   0.031   6.779
  421   2HO*    G  39          2HO*        G  39 -15.151   0.229   8.617
  422    H1*    G  39           H1*        G  39 -14.365  -2.671   7.517
  423    H8     G  39           H8         G  39 -13.547  -1.670   3.874
  424    H1     G  39           H1         G  39  -8.591  -3.257   7.586
  425   1H2     G  39          H21         G  39  -9.055  -3.571   9.357
  426   2H2     G  39          H22         G  39 -10.511  -3.555  10.197
  427   1H5*    G  40          H5*         G  40 -16.616   1.549   8.838
  428   2H5*    G  40          H5**        G  40 -16.896   3.281   8.583
  429    H4*    G  40           H4*        G  40 -15.550   2.885  10.567
  430    H3*    G  40           H3*        G  40 -14.209   4.362   8.291
  431    H2*    G  40           H2*        G  40 -12.322   4.616   9.779
  432   2HO*    G  40          2HO*        G  40 -14.122   4.814  11.602
  433    H1*    G  40           H1*        G  40 -12.615   2.000  10.930
  434    H8     G  40           H8         G  40 -12.570   2.542   7.115
  435    H1     G  40           H1         G  40  -7.006   0.909   9.899
  436   1H2     G  40          H22         G  40  -7.186   0.904  12.025
  437   2H2     G  40          H21         G  40  -8.728   1.270  12.779
  438   1H5*    C  41          H5*         C  41 -12.129   6.622   8.126
  439   2H5*    C  41          H5**        C  41 -12.935   6.528   9.706
  440    H4*    C  41           H4*        C  41 -13.654   9.010   8.815
  441    H3*    C  41           H3*        C  41 -11.656   8.845   7.102
  442    H2*    C  41           H2*        C  41 -10.273   7.620   8.765
  443   2HO*    C  41          2HO*        C  41  -9.283   9.715   7.731
  444    H1*    C  41           H1*        C  41 -10.949  10.056  10.493
  445   1H4     C  41          H42         C  41  -7.329   7.428  14.916
  446   2H4     C  41          H41         C  41  -7.884   5.803  14.544
  447    H5     C  41           H5         C  41  -9.428   5.354  12.762
  448    H6     C  41           H6         C  41 -10.768   6.372  10.995
  449   1H5*    U  42          H5*         U  42  -9.959  12.148   7.788
  450   2H5*    U  42          H5**        U  42  -9.548  13.151   6.394
  451    H4*    U  42           H4*        U  42  -8.003  11.194   7.113
  452    H3*    U  42           H3*        U  42  -8.617  11.858   4.231
  453    H2*    U  42           H2*        U  42  -7.049  10.090   3.712
  454   2HO*    U  42          2HO*        U  42  -5.823  10.700   5.810
  455    H1*    U  42           H1*        U  42  -8.165   8.277   5.483
  456    H3     U  42           H3         U  42  -9.171   7.341   1.041
  457    H5     U  42           H5         U  42 -12.406   9.508   2.566
  458    H6     U  42           H6         U  42 -11.083   9.994   4.508
  459   1H5*    U  43          H5*         U  43  -5.304  11.773   1.985
  460   2H5*    U  43          H5**        U  43  -5.434  11.531   3.722
  461    H4*    U  43           H4*        U  43  -4.054  13.881   3.602
  462    H3*    U  43           H3*        U  43  -3.147  12.205   1.241
  463    H2*    U  43           H2*        U  43  -0.887  12.884   1.841
  464   2HO*    U  43          2HO*        U  43  -2.096  15.016   2.771
  465    H1*    U  43           H1*        U  43  -1.169  12.178   4.462
  466    H3     U  43           H3         U  43   1.137   8.840   2.377
  467    H5     U  43           H5         U  43  -2.873   8.052   1.468
  468    H6     U  43           H6         U  43  -3.443  10.168   2.463
  469   1H5*    G  44          H5*         G  44  -1.077  13.927  -0.014
  470   2H5*    G  44          H5**        G  44  -1.579  15.130  -1.190
  471    H4*    G  44           H4*        G  44  -0.424  14.276  -2.808
  472    H3*    G  44           H3*        G  44  -1.032  11.411  -2.061
  473    H2*    G  44           H2*        G  44   0.634  10.956  -3.753
  474   2HO*    G  44          2HO*        G  44   0.801  12.416  -5.349
  475    H1*    G  44           H1*        G  44   2.285  12.999  -2.716
  476    H8     G  44           H8         G  44   0.605  10.731  -0.154
  477    H1     G  44           H1         G  44   6.148   8.537  -2.528
  478   1H2     G  44          H21         G  44   6.799   9.593  -3.998
  479   2H2     G  44          H22         G  44   6.155  10.998  -4.692
  480   1H5*    U  45          H5*         U  45  -1.311  12.964  -5.978
  481   2H5*    U  45          H5**        U  45  -2.332  12.135  -7.164
  482    H4*    U  45           H4*        U  45  -0.133  12.751  -8.065
  483    H3*    U  45           H3*        U  45  -0.858   9.817  -7.969
  484    H2*    U  45           H2*        U  45   1.224   9.398  -9.032
  485   2HO*    U  45          2HO*        U  45   0.797  11.669 -10.224
  486    H1*    U  45           H1*        U  45   2.714  11.215  -7.602
  487    H3     U  45           H3         U  45   4.507   7.439  -5.918
  488    H5     U  45           H5         U  45   0.484   7.227  -4.730
  489    H6     U  45           H6         U  45   0.068   9.216  -5.973
  490   1H5*    G  46          H5*         G  46  -0.433  10.128 -11.967
  491   2H5*    G  46          H5**        G  46  -1.397   8.887 -12.774
  492    H4*    G  46           H4*        G  46   1.163   8.617 -12.627
  493    H3*    G  46           H3*        G  46  -0.723   6.341 -12.063
  494    H2*    G  46           H2*        G  46   1.160   5.008 -11.654
  495   2HO*    G  46          2HO*        G  46   2.770   5.285 -13.064
  496    H1*    G  46           H1*        G  46   2.724   7.141 -10.465
  497    H8     G  46           H8         G  46  -0.571   6.854  -8.812
  498    H1     G  46           H1         G  46   3.839   2.582  -6.937
  499   1H2     G  46          H21         G  46   5.334   2.531  -8.054
  500   2H2     G  46          H22         G  46   5.722   3.382  -9.452
  501   1H5*    G  47          H5*         G  47   2.235   5.707 -15.277
  502   2H5*    G  47          H5**        G  47   1.472   4.784 -16.582
  503    H4*    G  47           H4*        G  47   3.655   3.885 -15.944
  504    H3*    G  47           H3*        G  47   1.279   2.061 -15.521
  505    H2*    G  47           H2*        G  47   2.869   0.383 -14.914
  506   2HO*    G  47          2HO*        G  47   4.401   1.525 -16.636
  507    H1*    G  47           H1*        G  47   4.462   2.114 -13.375
  508    H8     G  47           H8         G  47   0.719   2.620 -12.889
  509    H1     G  47           H1         G  47   3.345  -1.917  -9.182
  510   1H2     G  47          H22         G  47   5.390  -2.356  -9.808
  511   2H2     G  47          H21         G  47   6.106  -1.455 -11.132
  512   1H5*    C  48          H5*         C  48   4.083   0.096 -18.114
  513   2H5*    C  48          H5**        C  48   3.218  -0.706 -19.438
  514    H4*    C  48           H4*        C  48   4.706  -2.257 -18.352
  515    H3*    C  48           H3*        C  48   1.772  -2.853 -18.045
  516    H2*    C  48           H2*        C  48   2.355  -4.764 -16.739
  517   2HO*    C  48          2HO*        C  48   4.137  -5.533 -17.949
  518    H1*    C  48           H1*        C  48   4.476  -3.564 -15.347
  519   1H4     C  48          H42         C  48  -0.178  -3.068 -11.114
  520   2H4     C  48          H41         C  48  -0.930  -1.746 -11.999
  521    H5     C  48           H5         C  48  -0.120  -1.022 -14.143
  522    H6     C  48           H6         C  48   1.570  -1.398 -15.851
  523   1H5*    G  49          H5*         G  49   5.050  -5.191 -20.029
  524   2H5*    G  49          H5**        G  49   4.584  -6.559 -21.037
  525    H4*    G  49           H4*        G  49   6.437  -6.603 -19.066
  526    H3*    G  49           H3*        G  49   5.952  -8.464 -20.848
  527    H2*    G  49           H2*        G  49   3.684  -8.931 -19.882
  528   2HO*    G  49          2HO*        G  49   5.743 -10.790 -19.487
  529    H1*    G  49           H1*        G  49   5.278  -9.254 -17.266
  530    H8     G  49           H8         G  49   2.173  -7.115 -17.572
  531    H1     G  49           H1         G  49   1.213 -12.776 -14.693
  532   1H2     G  49          H21         G  49   3.015 -14.046 -14.952
  533   2H2     G  49          H22         G  49   4.417 -13.467 -15.836
  534    H3T    G  49           H3T        G  49   7.039  -8.738 -18.292
  Start of MODEL    2
    1   1H5*    G   1          H5*         G   1 -10.755 -38.813  -9.454
    2   2H5*    G   1          H5**        G   1  -9.062 -38.507  -9.073
    3    H4*    G   1           H4*        G   1  -9.029 -38.396 -11.295
    4    H3*    G   1           H3*        G   1  -8.556 -35.946 -10.136
    5    H2*    G   1           H2*        G   1 -10.351 -34.716 -10.899
    6   2HO*    G   1          2HO*        G   1  -8.469 -34.571 -12.667
    7    H1*    G   1           H1*        G   1 -10.949 -36.397 -13.329
    8    H8     G   1           H8         G   1 -12.664 -36.300  -9.917
    9    H1     G   1           H1         G   1 -15.787 -33.312 -14.626
   10   1H2     G   1          H21         G   1 -14.869 -33.227 -16.233
   11   2H2     G   1          H22         G   1 -13.352 -33.738 -16.724
   12    H5T    G   1           H5T        G   1  -9.586 -36.681  -8.132
   13   1H5*    G   2          H5*         G   2  -6.280 -34.669 -13.961
   14   2H5*    G   2          H5**        G   2  -4.892 -33.938 -13.146
   15    H4*    G   2           H4*        G   2  -5.927 -32.267 -14.455
   16    H3*    G   2           H3*        G   2  -6.583 -31.767 -11.540
   17    H2*    G   2           H2*        G   2  -7.558 -29.728 -12.337
   18   2HO*    G   2          2HO*        G   2  -6.625 -28.814 -14.055
   19    H1*    G   2           H1*        G   2  -8.681 -30.983 -14.613
   20    H8     G   2           H8         G   2  -9.048 -32.590 -11.106
   21    H1     G   2           H1         G   2 -13.875 -28.914 -13.168
   22   1H2     G   2          H22         G   2 -13.326 -27.942 -15.049
   23   2H2     G   2          H21         G   2 -11.752 -28.221 -15.776
   24   1H5*    A   3          H5*         A   3  -4.290 -28.789 -13.868
   25   2H5*    A   3          H5**        A   3  -3.381 -27.666 -12.849
   26    H4*    A   3           H4*        A   3  -4.810 -26.565 -14.555
   27    H3*    A   3           H3*        A   3  -5.267 -25.891 -11.661
   28    H2*    A   3           H2*        A   3  -6.964 -24.417 -12.347
   29   2HO*    A   3          2HO*        A   3  -6.303 -23.220 -14.033
   30    H1*    A   3           H1*        A   3  -7.840 -25.966 -14.562
   31    H8     A   3           H8         A   3  -7.611 -27.516 -11.040
   32   1H6     A   3          H61         A   3 -13.696 -26.062 -10.838
   33   2H6     A   3          H62         A   3 -12.567 -26.849  -9.856
   34    H2     A   3           H2         A   3 -12.060 -24.387 -14.455
   35   1H5*    C   4          H5*         C   4  -4.343 -22.546 -14.024
   36   2H5*    C   4          H5**        C   4  -3.337 -21.320 -13.235
   37    H4*    C   4           H4*        C   4  -5.429 -20.372 -14.113
   38    H3*    C   4           H3*        C   4  -4.994 -20.289 -11.135
   39    H2*    C   4           H2*        C   4  -7.014 -19.101 -10.925
   40   2HO*    C   4          2HO*        C   4  -8.091 -18.159 -12.629
   41    H1*    C   4           H1*        C   4  -8.419 -20.658 -12.783
   42   1H4     C   4          H41         C   4 -10.162 -22.530  -7.157
   43   2H4     C   4          H42         C   4  -9.176 -23.887  -6.999
   44    H5     C   4           H5         C   4  -7.240 -24.081  -8.898
   45    H6     C   4           H6         C   4  -6.467 -23.002 -10.950
   46   1H5*    C   5          H5*         C   5  -5.761 -16.683 -12.639
   47   2H5*    C   5          H5**        C   5  -4.756 -15.292 -12.196
   48    H4*    C   5           H4*        C   5  -7.127 -14.850 -11.751
   49    H3*    C   5           H3*        C   5  -5.051 -14.508 -10.004
   50    H2*    C   5           H2*        C   5  -5.672 -15.854  -8.218
   51   2HO*    C   5          2HO*        C   5  -7.236 -13.634  -8.173
   52    H1*    C   5           H1*        C   5  -8.588 -15.858  -9.143
   53   1H4     C   5          H42         C   5  -8.420 -20.800  -5.063
   54   2H4     C   5          H41         C   5  -6.804 -21.191  -5.608
   55    H5     C   5           H5         C   5  -5.566 -19.929  -7.264
   56    H6     C   5           H6         C   5  -5.641 -18.078  -8.780
   57   1H5*    C   6          H5*         C   6  -5.812 -12.790  -6.611
   58   2H5*    C   6          H5**        C   6  -5.100 -11.204  -6.815
   59    H4*    C   6           H4*        C   6  -4.257 -12.569  -4.959
   60    H3*    C   6           H3*        C   6  -2.863 -10.593  -5.966
   61    H2*    C   6           H2*        C   6  -2.026 -12.034  -7.807
   62   2HO*    C   6          2HO*        C   6   0.253 -12.674  -6.739
   63    H1*    C   6           H1*        C   6  -1.200 -13.991  -5.570
   64   1H4     C   6          H41         C   6   0.870 -16.756 -10.966
   65   2H4     C   6          H42         C   6  -0.769 -16.702 -11.628
   66    H5     C   6           H5         C   6  -2.648 -15.632 -10.447
   67    H6     C   6           H6         C   6  -3.205 -14.389  -8.409
   68   1H5*    G   7          H5*         G   7   0.814 -11.783  -4.298
   69   2H5*    G   7          H5**        G   7   1.293 -10.583  -3.094
   70    H4*    G   7           H4*        G   7   2.963 -10.939  -4.879
   71    H3*    G   7           H3*        G   7   1.915  -8.228  -4.248
   72    H2*    G   7           H2*        G   7   2.821  -7.288  -6.148
   73   2HO*    G   7          2HO*        G   7   4.980  -8.000  -5.746
   74    H1*    G   7           H1*        G   7   2.924  -9.610  -7.828
   75    H8     G   7           H8         G   7  -0.612  -9.065  -6.904
   76    H1     G   7           H1         G   7   1.520  -4.995 -11.396
   77   1H2     G   7          H22         G   7   3.668  -5.082 -11.542
   78   2H2     G   7          H21         G   7   4.618  -6.143 -10.505
   79   1H5*    C   8          H5*         C   8   6.717  -8.554  -4.677
   80   2H5*    C   8          H5**        C   8   7.185  -7.420  -3.399
   81    H4*    C   8           H4*        C   8   8.287  -7.144  -5.664
   82    H3*    C   8           H3*        C   8   7.079  -4.808  -4.193
   83    H2*    C   8           H2*        C   8   7.769  -3.431  -6.019
   84   2HO*    C   8          2HO*        C   8   9.732  -5.059  -6.259
   85    H1*    C   8           H1*        C   8   6.970  -5.174  -8.034
   86   1H4     C   8          H41         C   8   2.307  -1.017  -7.186
   87   2H4     C   8          H42         C   8   1.235  -2.168  -6.550
   88    H5     C   8           H5         C   8   2.252  -4.482  -5.888
   89    H6     C   8           H6         C   8   4.298  -5.799  -5.989
   90   1H5*    C   9          H5*         C   9  10.689  -3.378  -5.634
   91   2H5*    C   9          H5**        C   9  11.389  -2.296  -4.435
   92    H4*    C   9           H4*        C   9  10.839  -1.340  -6.716
   93    H3*    C   9           H3*        C   9  10.007   0.067  -4.191
   94    H2*    C   9           H2*        C   9   9.191   1.795  -5.576
   95   2HO*    C   9          2HO*        C   9  10.717   2.149  -7.134
   96    H1*    C   9           H1*        C   9   8.255   0.060  -7.636
   97   1H4     C   9          H42         C   9   2.896   2.003  -4.616
   98   2H4     C   9          H41         C   9   3.237   0.777  -3.426
   99    H5     C   9           H5         C   9   5.181  -0.562  -3.313
  100    H6     C   9           H6         C   9   7.317  -1.077  -4.355
  101   1H5*    A  10          H5*         A  10  12.900   2.344  -6.587
  102   2H5*    A  10          H5**        A  10  13.962   3.321  -5.558
  103    H4*    A  10           H4*        A  10  12.954   4.697  -7.264
  104    H3*    A  10           H3*        A  10  12.172   5.284  -4.430
  105    H2*    A  10           H2*        A  10  10.609   6.864  -5.126
  106   2HO*    A  10          2HO*        A  10  11.943   8.075  -6.503
  107    H1*    A  10           H1*        A  10  10.040   5.683  -7.670
  108    H8     A  10           H8         A  10   9.388   3.631  -4.470
  109   1H6     A  10          H61         A  10   3.527   5.544  -5.450
  110   2H6     A  10          H62         A  10   4.273   4.510  -4.359
  111    H2     A  10           H2         A  10   5.993   7.590  -8.229
  112   1H5*    C  11          H5*         C  11  13.631   9.170  -7.014
  113   2H5*    C  11          H5**        C  11  14.316  10.106  -5.673
  114    H4*    C  11           H4*        C  11  12.504  11.143  -7.251
  115    H3*    C  11           H3*        C  11  12.792  11.632  -4.310
  116    H2*    C  11           H2*        C  11  10.696  12.758  -4.264
  117   2HO*    C  11          2HO*        C  11  11.514  13.623  -6.564
  118    H1*    C  11           H1*        C  11   9.397  11.251  -6.267
  119   1H4     C  11          H42         C  11   6.584   8.963  -1.003
  120   2H4     C  11          H41         C  11   7.966   7.933  -0.763
  121    H5     C  11           H5         C  11   9.962   7.984  -2.086
  122    H6     C  11           H6         C  11  11.078   9.074  -3.929
  123   1H5*    U  12          H5*         U  12  11.654  15.447  -5.700
  124   2H5*    U  12          H5**        U  12  13.020  16.501  -5.324
  125    H4*    U  12           H4*        U  12  10.897  17.427  -4.604
  126    H3*    U  12           H3*        U  12  13.048  16.978  -2.567
  127    H2*    U  12           H2*        U  12  11.586  17.810  -0.886
  128   2HO*    U  12          2HO*        U  12  10.622  19.265  -2.824
  129    H1*    U  12           H1*        U  12   9.276  16.508  -1.756
  130    H3     U  12           H3         U  12  10.934  14.707   2.236
  131    H5     U  12           H5         U  12  12.166  12.243  -0.943
  132    H6     U  12           H6         U  12  11.465  13.947  -2.434
  133   1H5*    G  13          H5*         G  13  11.610  20.897  -2.491
  134   2H5*    G  13          H5**        G  13  12.700  22.113  -1.844
  135    H4*    G  13           H4*        G  13  10.466  21.472  -0.680
  136    H3*    G  13           H3*        G  13  12.661  22.872   0.263
  137    H2*    G  13           H2*        G  13  13.457  21.385   1.802
  138   2HO*    G  13          2HO*        G  13  12.025  21.247   3.763
  139    H1*    G  13           H1*        G  13  10.838  19.902   2.224
  140    H8     G  13           H8         G  13  13.876  18.729   0.288
  141    H1     G  13           H1         G  13  13.597  16.468   6.272
  142   1H2     G  13          H21         G  13  12.241  17.223   7.301
  143   2H2     G  13          H22         G  13  11.063  18.381   6.992
  144   1H5*    C  14          H5*         C  14   9.360  24.734   3.201
  145   2H5*    C  14          H5**        C  14   9.977  26.385   3.274
  146    H4*    C  14           H4*        C  14   9.807  25.401   5.467
  147    H3*    C  14           H3*        C  14  12.622  26.058   4.681
  148    H2*    C  14           H2*        C  14  13.292  25.244   6.782
  149   2HO*    C  14          2HO*        C  14  12.029  25.983   8.383
  150    H1*    C  14           H1*        C  14  11.192  23.287   6.980
  151   1H4     C  14          H41         C  14  16.151  19.597   6.743
  152   2H4     C  14          H42         C  14  16.981  20.295   5.441
  153    H5     C  14           H5         C  14  15.800  22.307   4.223
  154    H6     C  14           H6         C  14  13.851  23.781   4.363
  155   1H5*    A  15          H5*         A  15  10.857  28.021   8.277
  156   2H5*    A  15          H5**        A  15  11.641  29.563   8.653
  157    H4*    A  15           H4*        A  15  11.431  27.967  10.570
  158    H3*    A  15           H3*        A  15  14.144  29.084   9.850
  159    H2*    A  15           H2*        A  15  15.042  27.824  11.662
  160   2HO*    A  15          2HO*        A  15  12.809  28.406  12.810
  161    H1*    A  15           H1*        A  15  13.344  25.573  11.341
  162    H8     A  15           H8         A  15  15.018  26.816   8.146
  163   1H6     A  15          H62         A  15  19.380  22.548   9.406
  164   2H6     A  15          H61         A  15  18.817  23.689   8.200
  165    H2     A  15           H2         A  15  16.651  22.793  12.877
  166   1H5*    G  16          H5*         G  16  14.304  30.008  13.962
  167   2H5*    G  16          H5**        G  16  14.957  31.656  13.963
  168    H4*    G  16           H4*        G  16  16.477  30.256  15.116
  169    H3*    G  16           H3*        G  16  17.588  31.002  12.381
  170    H2*    G  16           H2*        G  16  19.626  29.912  13.305
  171   2HO*    G  16          2HO*        G  16  19.735  29.282  15.455
  172    H1*    G  16           H1*        G  16  18.276  27.680  14.036
  173    H8     G  16           H8         G  16  17.034  29.657  10.991
  174    H1     G  16           H1         G  16  21.067  24.858   9.656
  175   1H2     G  16          H22         G  16  21.820  23.987  11.466
  176   2H2     G  16          H21         G  16  21.338  24.574  13.049
  177   1H5*    A  17          H5*         A  17  20.445  32.312  10.898
  178   2H5*    A  17          H5**        A  17  20.048  31.527  12.399
  179    H4*    A  17           H4*        A  17  21.430  34.172  12.162
  180    H3*    A  17           H3*        A  17  22.508  31.391  12.652
  181    H2*    A  17           H2*        A  17  23.974  32.272  14.289
  182   2HO*    A  17          2HO*        A  17  24.250  34.144  12.610
  183    H1*    A  17           H1*        A  17  22.236  34.408  15.117
  184    H8     A  17           H8         A  17  19.906  31.927  15.825
  185   1H6     A  17          H62         A  17  23.143  30.189  20.843
  186   2H6     A  17          H61         A  17  21.571  30.084  20.057
  187    H2     A  17           H2         A  17  25.801  32.615  18.293
  188   1H5*    G  18          H5*         G  18  25.889  29.131  11.111
  189   2H5*    G  18          H5**        G  18  24.211  29.089  11.693
  190    H4*    G  18           H4*        G  18  26.654  29.734  13.344
  191    H3*    G  18           H3*        G  18  24.906  27.244  13.310
  192    H2*    G  18           H2*        G  18  25.310  27.104  15.646
  193   2HO*    G  18          2HO*        G  18  27.655  28.027  15.037
  194    H1*    G  18           H1*        G  18  25.212  29.913  16.090
  195    H8     G  18           H8         G  18  22.180  29.373  14.144
  196    H1     G  18           H1         G  18  21.724  26.894  20.043
  197   1H2     G  18          H21         G  18  23.721  26.759  20.970
  198   2H2     G  18          H22         G  18  25.146  27.297  20.102
  199   1H5*    A  19          H5*         A  19  27.624  25.603  15.580
  200   2H5*    A  19          H5**        A  19  27.983  23.987  14.966
  201    H4*    A  19           H4*        A  19  27.159  23.765  17.155
  202    H3*    A  19           H3*        A  19  25.099  22.816  15.148
  203    H2*    A  19           H2*        A  19  23.849  22.091  17.081
  204   2HO*    A  19          2HO*        A  19  26.126  21.757  18.214
  205    H1*    A  19           H1*        A  19  24.134  24.490  18.423
  206    H8     A  19           H8         A  19  23.980  25.033  14.676
  207   1H6     A  19          H62         A  19  17.827  25.306  15.332
  208   2H6     A  19          H61         A  19  19.159  25.552  14.206
  209    H2     A  19           H2         A  19  19.544  23.985  19.196
  210   1H5*    U  20          H5*         U  20  24.735  19.917  17.079
  211   2H5*    U  20          H5**        U  20  24.741  18.389  16.184
  212    H4*    U  20           H4*        U  20  22.547  19.042  17.203
  213    H3*    U  20           H3*        U  20  22.645  18.540  14.218
  214    H2*    U  20           H2*        U  20  20.254  18.694  14.326
  215   2HO*    U  20          2HO*        U  20  20.363  17.794  16.682
  216    H1*    U  20           H1*        U  20  20.314  21.067  15.753
  217    H3     U  20           H3         U  20  19.139  21.831  11.394
  218    H5     U  20           H5         U  20  23.331  21.802  11.402
  219    H6     U  20           H6         U  20  23.247  21.042  13.667
  220   1H5*    G  21          H5*         G  21  19.877  15.910  16.084
  221   2H5*    G  21          H5**        G  21  19.478  14.537  15.062
  222    H4*    G  21           H4*        G  21  17.783  16.450  15.781
  223    H3*    G  21           H3*        G  21  17.521  14.299  14.030
  224    H2*    G  21           H2*        G  21  17.334  15.480  12.025
  225   2HO*    G  21          2HO*        G  21  14.953  15.503  13.293
  226    H1*    G  21           H1*        G  21  16.444  18.026  13.386
  227    H8     G  21           H8         G  21  19.803  17.359  11.691
  228    H1     G  21           H1         G  21  15.553  20.698   8.217
  229   1H2     G  21          H22         G  21  13.644  20.741   9.191
  230   2H2     G  21          H21         G  21  13.409  19.949  10.740
  231   1H5*    C  22          H5*         C  22  13.122  15.718  15.229
  232   2H5*    C  22          H5**        C  22  12.223  14.202  15.284
  233    H4*    C  22           H4*        C  22  11.138  15.987  14.010
  234    H3*    C  22           H3*        C  22  11.705  13.510  12.354
  235    H2*    C  22           H2*        C  22  10.254  14.633  10.760
  236   2HO*    C  22          2HO*        C  22   9.113  15.694  12.825
  237    H1*    C  22           H1*        C  22  11.549  17.095  11.152
  238   1H4     C  22          H42         C  22  14.362  14.671   5.973
  239   2H4     C  22          H41         C  22  15.428  13.754   7.010
  240    H5     C  22           H5         C  22  15.235  13.656   9.398
  241    H6     C  22           H6         C  22  13.956  14.411  11.314
  242   1H5*    A  23          H5*         A  23   7.674  14.620  12.576
  243   2H5*    A  23          H5**        A  23   6.563  13.268  12.431
  244    H4*    A  23           H4*        A  23   6.242  15.203  10.890
  245    H3*    A  23           H3*        A  23   5.375  12.721  10.515
  246    H2*    A  23           H2*        A  23   7.451  12.046   9.319
  247   2HO*    A  23          2HO*        A  23   5.264  12.765   7.685
  248    H1*    A  23           H1*        A  23   7.031  14.754   7.897
  249    H8     A  23           H8         A  23  10.081  12.753   9.208
  250   1H6     A  23          H62         A  23  12.327  13.486   3.462
  251   2H6     A  23          H61         A  23  12.685  12.874   5.073
  252    H2     A  23           H2         A  23   8.255  15.209   3.552
  253   1H5*    A  24          H5*         A  24   4.099  11.024   7.730
  254   2H5*    A  24          H5**        A  24   2.684  12.020   7.357
  255    H4*    A  24           H4*        A  24   1.803  10.423   9.403
  256    H3*    A  24           H3*        A  24   3.454   8.652   7.565
  257    H2*    A  24           H2*        A  24   1.807   7.004   8.189
  258   2HO*    A  24          2HO*        A  24   1.304   7.501  10.325
  259    H1*    A  24           H1*        A  24  -0.292   8.799   7.754
  260    H8     A  24           H8         A  24   1.218   9.812   4.768
  261   1H6     A  24          H61         A  24   0.531   4.139   2.316
  262   2H6     A  24          H62         A  24   0.863   5.821   1.905
  263    H2     A  24           H2         A  24  -0.001   3.781   6.659
  264   1H5*    U  25          H5*         U  25   2.625   7.069  12.158
  265   2H5*    U  25          H5**        U  25   3.485   5.531  12.119
  266    H4*    U  25           H4*        U  25   1.454   5.041  12.973
  267    H3*    U  25           H3*        U  25   1.171   4.149  10.110
  268    H2*    U  25           H2*        U  25  -0.852   3.154  10.918
  269   2HO*    U  25          2HO*        U  25  -0.629   2.364  12.944
  270    H1*    U  25           H1*        U  25  -1.388   5.397  12.599
  271    H3     U  25           H3         U  25  -5.023   5.290   9.945
  272    H5     U  25           H5         U  25  -2.004   6.672   7.409
  273    H6     U  25           H6         U  25  -0.413   6.199   9.173
  274   1H5*    C  26          H5*         C  26   1.163   1.195  13.628
  275   2H5*    C  26          H5**        C  26   1.572  -0.415  13.002
  276    H4*    C  26           H4*        C  26  -0.432  -0.355  14.495
  277    H3*    C  26           H3*        C  26  -0.654  -1.477  11.708
  278    H2*    C  26           H2*        C  26  -2.974  -1.792  12.058
  279   2HO*    C  26          2HO*        C  26  -2.211  -2.463  14.431
  280    H1*    C  26           H1*        C  26  -3.358   0.439  13.800
  281   1H4     C  26          H41         C  26  -6.367   2.517   8.804
  282   2H4     C  26          H42         C  26  -5.176   2.327   7.638
  283    H5     C  26           H5         C  26  -2.852   1.410   8.474
  284    H6     C  26           H6         C  26  -1.726   0.515  10.443
  285   1H5*    C  27          H5*         C  27  -2.254  -4.526  14.359
  286   2H5*    C  27          H5**        C  27  -2.231  -6.022  13.447
  287    H4*    C  27           H4*        C  27  -4.428  -4.748  14.206
  288    H3*    C  27           H3*        C  27  -4.194  -6.652  11.892
  289    H2*    C  27           H2*        C  27  -6.537  -6.335  11.651
  290   2HO*    C  27          2HO*        C  27  -6.548  -6.143  14.217
  291    H1*    C  27           H1*        C  27  -6.433  -3.556  12.322
  292   1H4     C  27          H41         C  27  -7.639  -4.079   6.137
  293   2H4     C  27          H42         C  27  -6.125  -3.499   5.666
  294    H5     C  27           H5         C  27  -4.276  -3.329   7.565
  295    H6     C  27           H6         C  27  -3.952  -3.546   9.984
  296   1H5*    A  28          H5*         A  28  -7.113  -8.574  13.704
  297   2H5*    A  28          H5**        A  28  -6.696 -10.291  13.782
  298    H4*    A  28           H4*        A  28  -8.656 -10.165  12.537
  299    H3*    A  28           H3*        A  28  -6.393 -10.505  10.568
  300    H2*    A  28           H2*        A  28  -8.126 -10.864   8.982
  301   2HO*    A  28          2HO*        A  28  -9.880 -11.872   9.770
  302    H1*    A  28           H1*        A  28  -9.682  -8.738  10.017
  303    H8     A  28           H8         A  28  -5.868  -8.789   9.157
  304   1H6     A  28          H62         A  28  -7.719  -5.769   4.034
  305   2H6     A  28          H61         A  28  -6.307  -6.380   4.887
  306    H2     A  28           H2         A  28 -11.301  -6.723   6.442
  307   1H5*    G  29          H5*         G  29  -9.208 -13.836  11.297
  308   2H5*    G  29          H5**        G  29  -8.804 -15.370  10.531
  309    H4*    G  29           H4*        G  29 -11.088 -14.089  10.155
  310    H3*    G  29           H3*        G  29 -10.356 -16.390   9.073
  311    H2*    G  29           H2*        G  29  -8.793 -15.180   7.559
  312   2HO*    G  29          2HO*        G  29 -11.246 -16.051   6.349
  313    H1*    G  29           H1*        G  29 -11.332 -13.552   6.933
  314    H8     G  29           H8         G  29  -7.503 -13.010   7.184
  315    H1     G  29           H1         G  29 -10.327 -10.597   1.954
  316   1H2     G  29          H22         G  29 -12.444 -11.098   1.960
  317   2H2     G  29          H21         G  29 -13.171 -12.039   3.256
  318   1H5*    U  30          H5*         U  30 -13.294 -14.441   6.118
  319   2H5*    U  30          H5**        U  30 -14.669 -15.547   6.184
  320    H4*    U  30           H4*        U  30 -14.596 -14.870   4.011
  321    H3*    U  30           H3*        U  30 -13.203 -17.550   3.986
  322    H2*    U  30           H2*        U  30 -13.399 -17.327   1.626
  323   2HO*    U  30          2HO*        U  30 -14.949 -16.142   0.763
  324    H1*    U  30           H1*        U  30 -12.613 -14.618   1.692
  325    H3     U  30           H3         U  30  -9.550 -17.177  -0.598
  326    H5     U  30           H5         U  30  -8.485 -17.485   3.440
  327    H6     U  30           H6         U  30 -10.556 -16.392   3.984
  328   1H5*    G  31          H5*         G  31 -16.796 -17.145   1.724
  329   2H5*    G  31          H5**        G  31 -17.533 -18.678   1.257
  330    H4*    G  31           H4*        G  31 -16.944 -17.069  -0.597
  331    H3*    G  31           H3*        G  31 -16.010 -19.938  -0.736
  332    H2*    G  31           H2*        G  31 -15.330 -19.368  -2.967
  333   2HO*    G  31          2HO*        G  31 -16.581 -17.931  -3.967
  334    H1*    G  31           H1*        G  31 -14.267 -16.869  -2.209
  335    H8     G  31           H8         G  31 -13.232 -19.551   0.262
  336    H1     G  31           H1         G  31  -9.754 -19.364  -5.126
  337   1H2     G  31          H21         G  31 -10.487 -18.257  -6.442
  338   2H2     G  31          H22         G  31 -11.854 -17.270  -6.443
  339   1H5*    G  32          H5*         G  32 -18.764 -18.588  -3.612
  340   2H5*    G  32          H5**        G  32 -19.782 -19.772  -4.433
  341    H4*    G  32           H4*        G  32 -18.310 -18.272  -5.870
  342    H3*    G  32           H3*        G  32 -18.348 -21.259  -6.284
  343    H2*    G  32           H2*        G  32 -16.877 -20.862  -8.120
  344   2HO*    G  32          2HO*        G  32 -18.156 -18.813  -8.647
  345    H1*    G  32           H1*        G  32 -15.363 -18.868  -6.819
  346    H8     G  32           H8         G  32 -15.908 -21.853  -4.580
  347    H1     G  32           H1         G  32 -11.136 -22.522  -8.800
  348   1H2     G  32          H21         G  32 -11.091 -21.165 -10.089
  349   2H2     G  32          H22         G  32 -12.041 -19.800 -10.340
  350   1H5*    U  33          H5*         U  33 -19.618 -18.991 -10.141
  351   2H5*    U  33          H5**        U  33 -20.742 -20.133 -10.895
  352    H4*    U  33           H4*        U  33 -18.937 -19.347 -12.385
  353    H3*    U  33           H3*        U  33 -19.195 -22.327 -11.934
  354    H2*    U  33           H2*        U  33 -17.402 -22.583 -13.499
  355   2HO*    U  33          2HO*        U  33 -18.392 -20.491 -14.628
  356    H1*    U  33           H1*        U  33 -15.862 -20.464 -12.492
  357    H3     U  33           H3         U  33 -13.519 -24.220 -11.446
  358    H5     U  33           H5         U  33 -16.469 -23.926  -8.460
  359    H6     U  33           H6         U  33 -17.470 -22.158  -9.750
  360   1H5*    C  34          H5*         C  34 -19.207 -22.078 -16.049
  361   2H5*    C  34          H5**        C  34 -20.415 -23.186 -16.717
  362    H4*    C  34           H4*        C  34 -18.101 -23.646 -17.459
  363    H3*    C  34           H3*        C  34 -19.528 -25.860 -15.999
  364    H2*    C  34           H2*        C  34 -17.623 -27.191 -16.373
  365   2HO*    C  34          2HO*        C  34 -16.663 -26.983 -18.273
  366    H1*    C  34           H1*        C  34 -15.773 -25.019 -16.128
  367   1H4     C  34          H42         C  34 -14.772 -28.792 -11.158
  368   2H4     C  34          H41         C  34 -15.935 -27.885 -10.201
  369    H5     C  34           H5         C  34 -17.339 -26.134 -11.179
  370    H6     C  34           H6         C  34 -17.868 -24.948 -13.258
  371   1H5*    C  35          H5*         C  35 -18.089 -26.516 -20.203
  372   2H5*    C  35          H5**        C  35 -18.828 -27.918 -20.968
  373    H4*    C  35           H4*        C  35 -16.188 -27.548 -20.616
  374    H3*    C  35           H3*        C  35 -17.400 -29.431 -21.997
  375    H2*    C  35           H2*        C  35 -18.223 -30.533 -19.907
  376   2HO*    C  35          2HO*        C  35 -16.049 -31.725 -21.266
  377    H1*    C  35           H1*        C  35 -15.243 -30.379 -19.141
  378   1H4     C  35          H41         C  35 -17.172 -33.683 -14.199
  379   2H4     C  35          H42         C  35 -18.362 -32.663 -13.600
  380    H5     C  35           H5         C  35 -18.946 -30.543 -15.176
  381    H6     C  35           H6         C  35 -18.241 -29.433 -17.234
  382    H3T    C  35           H3T        C  35 -15.300 -29.154 -22.364
  383   1H5*    A  36          H5*         A  36 -11.349 -15.258  -7.962
  384   2H5*    A  36          H5**        A  36 -13.095 -15.055  -8.082
  385    H4*    A  36           H4*        A  36 -13.287 -14.047  -6.133
  386    H3*    A  36           H3*        A  36 -10.685 -12.573  -6.531
  387    H2*    A  36           H2*        A  36 -10.963 -12.005  -4.210
  388   2HO*    A  36          2HO*        A  36 -13.134 -11.772  -3.777
  389    H1*    A  36           H1*        A  36 -11.600 -14.647  -3.516
  390    H8     A  36           H8         A  36  -8.959 -15.007  -6.075
  391   1H6     A  36          H61         A  36  -4.747 -13.856  -1.710
  392   2H6     A  36          H62         A  36  -5.007 -14.430  -3.350
  393    H2     A  36           H2         A  36  -8.734 -12.833  -0.039
  394    H5T    A  36           H5T        A  36 -12.281 -12.656  -8.340
  395   1H5*    C  37          H5*         C  37 -14.392 -10.141  -5.971
  396   2H5*    C  37          H5**        C  37 -14.244  -8.382  -5.927
  397    H4*    C  37           H4*        C  37 -15.126  -9.542  -3.860
  398    H3*    C  37           H3*        C  37 -12.874  -7.541  -3.634
  399    H2*    C  37           H2*        C  37 -13.102  -7.849  -1.266
  400   2HO*    C  37          2HO*        C  37 -15.581  -8.065  -1.728
  401    H1*    C  37           H1*        C  37 -13.601 -10.634  -1.453
  402   1H4     C  37          H42         C  37  -7.759 -10.171   0.802
  403   2H4     C  37          H41         C  37  -7.058 -10.076  -0.816
  404    H5     C  37           H5         C  37  -8.488  -9.931  -2.813
  405    H6     C  37           H6         C  37 -10.794  -9.837  -3.582
  406   1H5*    U  38          H5*         U  38 -16.576  -6.532  -1.412
  407   2H5*    U  38          H5**        U  38 -16.709  -4.778  -1.283
  408    H4*    U  38           H4*        U  38 -16.911  -6.038   0.850
  409    H3*    U  38           H3*        U  38 -14.844  -3.832   0.709
  410    H2*    U  38           H2*        U  38 -14.561  -4.258   3.074
  411   2HO*    U  38          2HO*        U  38 -17.049  -4.811   3.070
  412    H1*    U  38           H1*        U  38 -14.699  -7.049   2.813
  413    H3     U  38           H3         U  38 -10.434  -6.073   4.212
  414    H5     U  38           H5         U  38 -10.339  -5.782   0.042
  415    H6     U  38           H6         U  38 -12.737  -5.948   0.041
  416   1H5*    G  39          H5*         G  39 -17.406  -3.247   4.031
  417   2H5*    G  39          H5**        G  39 -17.842  -1.536   4.101
  418    H4*    G  39           H4*        G  39 -16.969  -2.262   6.216
  419    H3*    G  39           H3*        G  39 -15.191  -0.299   4.759
  420    H2*    G  39           H2*        G  39 -13.937  -0.216   6.805
  421   2HO*    G  39          2HO*        G  39 -16.145  -0.537   8.000
  422    H1*    G  39           H1*        G  39 -14.094  -2.988   7.229
  423    H8     G  39           H8         G  39 -13.287  -1.781   3.672
  424    H1     G  39           H1         G  39  -8.271  -2.907   7.481
  425   1H2     G  39          H21         G  39  -8.737  -3.305   9.226
  426   2H2     G  39          H22         G  39 -10.208  -3.456  10.029
  427   1H5*    G  40          H5*         G  40 -16.671   1.029   8.672
  428   2H5*    G  40          H5**        G  40 -17.067   2.748   8.516
  429    H4*    G  40           H4*        G  40 -15.752   2.309  10.507
  430    H3*    G  40           H3*        G  40 -14.458   4.053   8.403
  431    H2*    G  40           H2*        G  40 -12.666   4.344  10.002
  432   2HO*    G  40          2HO*        G  40 -14.575   4.245  11.725
  433    H1*    G  40           H1*        G  40 -12.790   1.618  10.930
  434    H8     G  40           H8         G  40 -12.645   2.361   7.167
  435    H1     G  40           H1         G  40  -7.018   1.203  10.058
  436   1H2     G  40          H22         G  40  -7.274   1.075  12.197
  437   2H2     G  40          H21         G  40  -8.871   1.256  12.906
  438   1H5*    C  41          H5*         C  41 -12.562   6.448   8.559
  439   2H5*    C  41          H5**        C  41 -13.457   6.200  10.074
  440    H4*    C  41           H4*        C  41 -14.291   8.676   9.308
  441    H3*    C  41           H3*        C  41 -12.194   8.784   7.705
  442    H2*    C  41           H2*        C  41 -10.782   7.564   9.366
  443   2HO*    C  41          2HO*        C  41 -10.201  10.108   8.702
  444    H1*    C  41           H1*        C  41 -11.760   9.801  11.215
  445   1H4     C  41          H42         C  41  -8.400   7.026  15.766
  446   2H4     C  41          H41         C  41  -8.822   5.409  15.227
  447    H5     C  41           H5         C  41 -10.172   5.027  13.268
  448    H6     C  41           H6         C  41 -11.393   6.119  11.459
  449   1H5*    U  42          H5*         U  42 -11.151  12.532   8.361
  450   2H5*    U  42          H5**        U  42 -11.066  13.464   6.861
  451    H4*    U  42           H4*        U  42  -9.120  11.854   7.641
  452    H3*    U  42           H3*        U  42  -9.955  12.222   4.757
  453    H2*    U  42           H2*        U  42  -7.979  10.905   4.295
  454   2HO*    U  42          2HO*        U  42  -6.784  10.006   6.145
  455    H1*    U  42           H1*        U  42  -8.815   8.923   6.046
  456    H3     U  42           H3         U  42  -9.566   7.805   1.632
  457    H5     U  42           H5         U  42 -13.054   9.722   2.924
  458    H6     U  42           H6         U  42 -11.886  10.353   4.928
  459   1H5*    U  43          H5*         U  43  -6.105  12.002   4.067
  460   2H5*    U  43          H5**        U  43  -6.088  13.344   5.216
  461    H4*    U  43           H4*        U  43  -5.038  14.698   3.300
  462    H3*    U  43           H3*        U  43  -4.603  11.892   2.254
  463    H2*    U  43           H2*        U  43  -2.358  12.602   1.611
  464   2HO*    U  43          2HO*        U  43  -3.425  15.027   1.659
  465    H1*    U  43           H1*        U  43  -1.741  13.383   4.105
  466    H3     U  43           H3         U  43  -0.751   8.859   3.308
  467    H5     U  43           H5         U  43  -4.177   8.993   5.692
  468    H6     U  43           H6         U  43  -4.311  11.348   5.263
  469   1H5*    G  44          H5*         G  44  -2.507  13.958  -0.252
  470   2H5*    G  44          H5**        G  44  -3.584  14.194  -1.620
  471    H4*    G  44           H4*        G  44  -1.900  13.831  -2.872
  472    H3*    G  44           H3*        G  44  -2.061  10.921  -2.109
  473    H2*    G  44           H2*        G  44  -0.326  10.711  -3.769
  474   2HO*    G  44          2HO*        G  44  -0.371  12.142  -5.386
  475    H1*    G  44           H1*        G  44   0.932  13.041  -2.823
  476    H8     G  44           H8         G  44  -0.226  10.369  -0.292
  477    H1     G  44           H1         G  44   5.742   9.728  -2.581
  478   1H2     G  44          H21         G  44   6.161  10.970  -3.931
  479   2H2     G  44          H22         G  44   5.276  12.204  -4.651
  480   1H5*    U  45          H5*         U  45  -2.519  12.451  -5.952
  481   2H5*    U  45          H5**        U  45  -3.424  11.551  -7.178
  482    H4*    U  45           H4*        U  45  -1.254  12.387  -7.998
  483    H3*    U  45           H3*        U  45  -1.800   9.419  -7.976
  484    H2*    U  45           H2*        U  45   0.308   9.111  -8.985
  485   2HO*    U  45          2HO*        U  45  -0.214  11.372 -10.161
  486    H1*    U  45           H1*        U  45   1.675  11.038  -7.528
  487    H3     U  45           H3         U  45   3.761   7.449  -5.792
  488    H5     U  45           H5         U  45  -0.250   6.825  -4.743
  489    H6     U  45           H6         U  45  -0.812   8.802  -5.984
  490   1H5*    G  46          H5*         G  46  -0.860   9.725 -11.582
  491   2H5*    G  46          H5**        G  46  -1.837   8.701 -12.633
  492    H4*    G  46           H4*        G  46   0.513   8.028 -12.493
  493    H3*    G  46           H3*        G  46  -1.507   5.960 -11.643
  494    H2*    G  46           H2*        G  46   0.362   4.482 -11.451
  495   2HO*    G  46          2HO*        G  46   1.769   4.788 -13.089
  496    H1*    G  46           H1*        G  46   2.108   6.510 -10.418
  497    H8     G  46           H8         G  46  -1.202   6.371  -8.647
  498    H1     G  46           H1         G  46   3.379   2.484  -6.406
  499   1H2     G  46          H21         G  46   4.884   2.385  -7.524
  500   2H2     G  46          H22         G  46   5.244   3.138  -8.988
  501   1H5*    G  47          H5*         G  47   0.972   5.391 -15.151
  502   2H5*    G  47          H5**        G  47   0.270   4.367 -16.412
  503    H4*    G  47           H4*        G  47   2.562   3.719 -15.780
  504    H3*    G  47           H3*        G  47   0.363   1.683 -15.433
  505    H2*    G  47           H2*        G  47   2.028   0.150 -14.709
  506   2HO*    G  47          2HO*        G  47   3.530   1.003 -16.441
  507    H1*    G  47           H1*        G  47   3.555   2.035 -13.264
  508    H8     G  47           H8         G  47  -0.243   2.042 -12.719
  509    H1     G  47           H1         G  47   3.200  -1.669  -8.760
  510   1H2     G  47          H22         G  47   5.257  -1.734  -9.357
  511   2H2     G  47          H21         G  47   5.786  -0.866 -10.787
  512   1H5*    C  48          H5*         C  48   3.450  -0.040 -18.308
  513   2H5*    C  48          H5**        C  48   2.502  -0.962 -19.490
  514    H4*    C  48           H4*        C  48   4.290  -2.287 -18.418
  515    H3*    C  48           H3*        C  48   1.442  -3.206 -18.165
  516    H2*    C  48           H2*        C  48   2.134  -4.979 -16.768
  517   2HO*    C  48          2HO*        C  48   3.960  -5.682 -17.956
  518    H1*    C  48           H1*        C  48   4.189  -3.580 -15.405
  519   1H4     C  48          H42         C  48  -0.397  -3.435 -11.091
  520   2H4     C  48          H41         C  48  -1.365  -2.309 -12.029
  521    H5     C  48           H5         C  48  -0.709  -1.610 -14.257
  522    H6     C  48           H6         C  48   0.993  -1.852 -15.971
  523   1H5*    G  49          H5*         G  49   4.903  -5.523 -19.903
  524   2H5*    G  49          H5**        G  49   4.407  -6.811 -20.997
  525    H4*    G  49           H4*        G  49   6.261  -7.168 -19.224
  526    H3*    G  49           H3*        G  49   5.016  -9.023 -20.734
  527    H2*    G  49           H2*        G  49   3.230  -9.385 -19.068
  528   2HO*    G  49          2HO*        G  49   4.273 -11.297 -17.744
  529    H1*    G  49           H1*        G  49   5.576  -9.238 -17.068
  530    H8     G  49           H8         G  49   2.720  -7.179 -16.118
  531    H1     G  49           H1         G  49   2.150 -13.160 -13.827
  532   1H2     G  49          H21         G  49   3.605 -14.466 -14.863
  533   2H2     G  49          H22         G  49   4.681 -13.842 -16.101
  534    H3T    G  49           H3T        G  49   6.377 -10.483 -19.369
  Start of MODEL    3
    1   1H5*    G   1          H5*         G   1  -7.271 -37.172  -2.318
    2   2H5*    G   1          H5**        G   1  -5.898 -36.106  -2.022
    3    H4*    G   1           H4*        G   1  -5.504 -36.996  -4.069
    4    H3*    G   1           H3*        G   1  -5.703 -34.267  -3.975
    5    H2*    G   1           H2*        G   1  -7.585 -33.887  -5.285
    6   2HO*    G   1          2HO*        G   1  -5.511 -33.945  -6.825
    7    H1*    G   1           H1*        G   1  -7.431 -36.435  -6.887
    8    H8     G   1           H8         G   1  -9.662 -35.615  -3.906
    9    H1     G   1           H1         G   1 -12.545 -35.315  -9.598
   10   1H2     G   1          H21         G   1 -11.405 -35.544 -11.051
   11   2H2     G   1          H22         G   1  -9.755 -35.775 -11.214
   12    H5T    G   1           H5T        G   1  -7.868 -35.124  -1.427
   13   1H5*    G   2          H5*         G   2  -3.204 -34.056  -7.862
   14   2H5*    G   2          H5**        G   2  -2.091 -32.788  -7.333
   15    H4*    G   2           H4*        G   2  -3.221 -31.993  -9.243
   16    H3*    G   2           H3*        G   2  -4.371 -30.615  -6.804
   17    H2*    G   2           H2*        G   2  -5.563 -29.279  -8.394
   18   2HO*    G   2          2HO*        G   2  -4.585 -28.888 -10.280
   19    H1*    G   2           H1*        G   2  -6.099 -31.508 -10.060
   20    H8     G   2           H8         G   2  -6.696 -31.713  -6.235
   21    H1     G   2           H1         G   2 -11.759 -30.341  -9.925
   22   1H2     G   2          H22         G   2 -11.101 -30.051 -12.008
   23   2H2     G   2          H21         G   2  -9.407 -30.209 -12.442
   24   1H5*    A   3          H5*         A   3  -2.388 -28.286  -9.917
   25   2H5*    A   3          H5**        A   3  -1.769 -26.730  -9.346
   26    H4*    A   3           H4*        A   3  -3.136 -26.515 -11.373
   27    H3*    A   3           H3*        A   3  -4.088 -25.093  -8.899
   28    H2*    A   3           H2*        A   3  -5.911 -24.275 -10.143
   29   2HO*    A   3          2HO*        A   3  -5.212 -23.561 -12.082
   30    H1*    A   3           H1*        A   3  -6.198 -26.574 -11.793
   31    H8     A   3           H8         A   3  -6.175 -26.934  -7.959
   32   1H6     A   3          H61         A   3 -12.383 -26.912  -8.671
   33   2H6     A   3          H62         A   3 -11.253 -27.090  -7.431
   34    H2     A   3           H2         A   3 -10.587 -26.026 -12.536
   35   1H5*    C   4          H5*         C   4  -3.372 -22.810 -12.353
   36   2H5*    C   4          H5**        C   4  -2.656 -21.206 -12.124
   37    H4*    C   4           H4*        C   4  -4.698 -21.098 -13.484
   38    H3*    C   4           H3*        C   4  -4.593 -19.691 -10.835
   39    H2*    C   4           H2*        C   4  -6.793 -18.970 -11.080
   40   2HO*    C   4          2HO*        C   4  -6.921 -18.210 -13.151
   41    H1*    C   4           H1*        C   4  -7.775 -21.269 -12.400
   42   1H4     C   4          H41         C   4 -10.226 -21.732  -6.752
   43   2H4     C   4          H42         C   4  -8.942 -22.454  -5.902
   44    H5     C   4           H5         C   4  -6.621 -22.562  -7.313
   45    H6     C   4           H6         C   4  -5.715 -22.080  -9.515
   46   1H5*    C   5          H5*         C   5  -5.404 -16.833 -13.570
   47   2H5*    C   5          H5**        C   5  -4.531 -15.297 -13.417
   48    H4*    C   5           H4*        C   5  -6.948 -14.981 -13.134
   49    H3*    C   5           H3*        C   5  -4.988 -14.125 -11.440
   50    H2*    C   5           H2*        C   5  -5.599 -15.045  -9.412
   51   2HO*    C   5          2HO*        C   5  -7.395 -13.068  -9.941
   52    H1*    C   5           H1*        C   5  -8.451 -15.623 -10.373
   53   1H4     C   5          H42         C   5  -7.640 -19.682  -5.410
   54   2H4     C   5          H41         C   5  -5.974 -19.857  -5.892
   55    H5     C   5           H5         C   5  -4.923 -18.766  -7.713
   56    H6     C   5           H6         C   5  -5.228 -17.255  -9.563
   57   1H5*    C   6          H5*         C   6  -6.449 -11.656  -8.464
   58   2H5*    C   6          H5**        C   6  -5.609 -10.165  -8.837
   59    H4*    C   6           H4*        C   6  -5.174 -11.436  -6.606
   60    H3*    C   6           H3*        C   6  -3.881  -9.296  -7.376
   61    H2*    C   6           H2*        C   6  -2.859 -10.733  -9.206
   62   2HO*    C   6          2HO*        C   6  -1.199  -9.611  -7.295
   63    H1*    C   6           H1*        C   6  -1.844 -12.371  -6.808
   64   1H4     C   6          H41         C   6   1.116 -15.019 -11.849
   65   2H4     C   6          H42         C   6  -0.447 -15.430 -12.556
   66    H5     C   6           H5         C   6  -2.557 -14.741 -11.553
   67    H6     C   6           H6         C   6  -3.491 -13.469  -9.653
   68   1H5*    G   7          H5*         G   7   0.136 -10.364  -5.684
   69   2H5*    G   7          H5**        G   7   0.440  -9.031  -4.565
   70    H4*    G   7           H4*        G   7   2.142  -9.341  -6.364
   71    H3*    G   7           H3*        G   7   0.908  -6.680  -5.815
   72    H2*    G   7           H2*        G   7   1.952  -5.748  -7.711
   73   2HO*    G   7          2HO*        G   7   3.853  -7.524  -7.104
   74    H1*    G   7           H1*        G   7   1.813  -7.944  -9.422
   75    H8     G   7           H8         G   7  -1.654  -7.827  -8.237
   76    H1     G   7           H1         G   7  -0.192  -2.921 -12.114
   77   1H2     G   7          H22         G   7   1.983  -2.804 -12.347
   78   2H2     G   7          H21         G   7   3.063  -3.926 -11.519
   79   1H5*    C   8          H5*         C   8   5.497  -6.582  -6.330
   80   2H5*    C   8          H5**        C   8   6.029  -5.459  -5.077
   81    H4*    C   8           H4*        C   8   7.013  -5.131  -7.345
   82    H3*    C   8           H3*        C   8   5.772  -2.810  -5.880
   83    H2*    C   8           H2*        C   8   6.419  -1.449  -7.738
   84   2HO*    C   8          2HO*        C   8   8.394  -3.029  -7.976
   85    H1*    C   8           H1*        C   8   5.542  -3.227  -9.711
   86   1H4     C   8          H41         C   8   0.755   0.770  -8.478
   87   2H4     C   8          H42         C   8  -0.253  -0.495  -7.957
   88    H5     C   8           H5         C   8   0.865  -2.816  -7.529
   89    H6     C   8           H6         C   8   2.963  -4.019  -7.748
   90   1H5*    C   9          H5*         C   9   9.273  -1.306  -7.421
   91   2H5*    C   9          H5**        C   9  10.045  -0.278  -6.220
   92    H4*    C   9           H4*        C   9   9.530   0.839  -8.366
   93    H3*    C   9           H3*        C   9   8.428   2.044  -5.836
   94    H2*    C   9           H2*        C   9   7.653   3.821  -7.219
   95   2HO*    C   9          2HO*        C   9   9.231   4.302  -8.661
   96    H1*    C   9           H1*        C   9   6.897   2.152  -9.394
   97   1H4     C   9          H42         C   9   1.297   3.453  -6.418
   98   2H4     C   9          H41         C   9   1.765   2.276  -5.231
   99    H5     C   9           H5         C   9   3.828   1.159  -5.113
  100    H6     C   9           H6         C   9   6.010   0.871  -6.134
  101   1H5*    A  10          H5*         A  10  11.574   4.355  -7.832
  102   2H5*    A  10          H5**        A  10  12.484   5.455  -6.786
  103    H4*    A  10           H4*        A  10  11.497   6.584  -8.724
  104    H3*    A  10           H3*        A  10  10.805   7.527  -5.979
  105    H2*    A  10           H2*        A  10   9.069   8.858  -6.767
  106   2HO*    A  10          2HO*        A  10  10.123  10.132  -8.259
  107    H1*    A  10           H1*        A  10   8.569   7.457  -9.217
  108    H8     A  10           H8         A  10   7.877   5.589  -5.931
  109   1H6     A  10          H61         A  10   2.012   7.391  -7.017
  110   2H6     A  10          H62         A  10   2.863   6.427  -5.918
  111    H2     A  10           H2         A  10   4.552   9.396  -9.898
  112   1H5*    C  11          H5*         C  11  12.443  10.774  -8.310
  113   2H5*    C  11          H5**        C  11  13.398  11.976  -7.426
  114    H4*    C  11           H4*        C  11  11.391  12.943  -8.453
  115    H3*    C  11           H3*        C  11  11.638  13.123  -5.458
  116    H2*    C  11           H2*        C  11   9.478  14.112  -5.368
  117   2HO*    C  11          2HO*        C  11  10.259  15.234  -7.554
  118    H1*    C  11           H1*        C  11   8.311  12.635  -7.481
  119   1H4     C  11          H42         C  11   5.825   9.785  -2.337
  120   2H4     C  11          H41         C  11   7.314   8.896  -2.157
  121    H5     C  11           H5         C  11   9.264   9.218  -3.482
  122    H6     C  11           H6         C  11  10.247  10.499  -5.276
  123   1H5*    U  12          H5*         U  12   9.892  16.890  -6.016
  124   2H5*    U  12          H5**        U  12  11.362  17.878  -5.985
  125    H4*    U  12           H4*        U  12   9.757  18.972  -4.677
  126    H3*    U  12           H3*        U  12  11.972  17.751  -3.051
  127    H2*    U  12           H2*        U  12  10.933  18.620  -1.094
  128   2HO*    U  12          2HO*        U  12  10.172  20.552  -2.578
  129    H1*    U  12           H1*        U  12   8.338  17.923  -1.781
  130    H3     U  12           H3         U  12   9.859  15.235   1.661
  131    H5     U  12           H5         U  12  10.653  13.189  -1.919
  132    H6     U  12           H6         U  12  10.104  15.191  -3.097
  133   1H5*    G  13          H5*         G  13  11.584  21.869  -2.330
  134   2H5*    G  13          H5**        G  13  12.971  22.665  -1.602
  135    H4*    G  13           H4*        G  13  10.651  22.205  -0.378
  136    H3*    G  13           H3*        G  13  12.993  23.319   0.512
  137    H2*    G  13           H2*        G  13  13.830  21.613   1.844
  138   2HO*    G  13          2HO*        G  13  12.090  23.038   3.236
  139    H1*    G  13           H1*        G  13  11.187  20.246   2.354
  140    H8     G  13           H8         G  13  13.559  18.894  -0.197
  141    H1     G  13           H1         G  13  14.570  16.542   5.675
  142   1H2     G  13          H21         G  13  13.593  17.453   7.018
  143   2H2     G  13          H22         G  13  12.495  18.730   6.922
  144   1H5*    C  14          H5*         C  14  10.080  24.443   4.160
  145   2H5*    C  14          H5**        C  14  10.666  26.085   4.437
  146    H4*    C  14           H4*        C  14  10.640  24.728   6.445
  147    H3*    C  14           H3*        C  14  13.411  25.655   5.723
  148    H2*    C  14           H2*        C  14  14.047  24.726   7.793
  149   2HO*    C  14          2HO*        C  14  12.706  24.716   9.450
  150    H1*    C  14           H1*        C  14  12.215  22.542   7.572
  151   1H4     C  14          H41         C  14  17.958  20.217   7.400
  152   2H4     C  14          H42         C  14  18.213  20.281   5.742
  153    H5     C  14           H5         C  14  16.380  21.636   4.347
  154    H6     C  14           H6         C  14  14.232  22.802   4.595
  155   1H5*    A  15          H5*         A  15  12.064  26.997   9.719
  156   2H5*    A  15          H5**        A  15  13.086  28.328  10.268
  157    H4*    A  15           H4*        A  15  13.012  26.301  11.737
  158    H3*    A  15           H3*        A  15  15.696  27.380  10.854
  159    H2*    A  15           H2*        A  15  16.636  25.725  12.309
  160   2HO*    A  15          2HO*        A  15  14.548  26.174  13.747
  161    H1*    A  15           H1*        A  15  14.805  23.699  11.593
  162    H8     A  15           H8         A  15  16.368  25.862   8.813
  163   1H6     A  15          H62         A  15  20.503  21.270   8.270
  164   2H6     A  15          H61         A  15  19.937  22.797   7.589
  165    H2     A  15           H2         A  15  17.915  20.381  11.774
  166   1H5*    G  16          H5*         G  16  16.022  27.245  15.062
  167   2H5*    G  16          H5**        G  16  16.929  28.686  15.528
  168    H4*    G  16           H4*        G  16  18.066  26.763  16.320
  169    H3*    G  16           H3*        G  16  19.592  28.038  14.017
  170    H2*    G  16           H2*        G  16  21.332  26.428  14.768
  171   2HO*    G  16          2HO*        G  16  21.060  25.194  16.621
  172    H1*    G  16           H1*        G  16  19.602  24.333  14.665
  173    H8     G  16           H8         G  16  18.982  27.243  12.270
  174    H1     G  16           H1         G  16  22.613  22.512   9.903
  175   1H2     G  16          H22         G  16  23.049  21.062  11.443
  176   2H2     G  16          H21         G  16  22.440  21.256  13.076
  177   1H5*    A  17          H5*         A  17  23.130  29.208  13.624
  178   2H5*    A  17          H5**        A  17  22.247  28.080  14.616
  179    H4*    A  17           H4*        A  17  23.774  30.437  15.659
  180    H3*    A  17           H3*        A  17  24.467  27.503  15.545
  181    H2*    A  17           H2*        A  17  25.561  27.749  17.614
  182   2HO*    A  17          2HO*        A  17  26.699  29.693  17.247
  183    H1*    A  17           H1*        A  17  23.675  29.664  18.608
  184    H8     A  17           H8         A  17  21.173  27.450  17.960
  185   1H6     A  17          H62         A  17  23.114  23.595  22.447
  186   2H6     A  17          H61         A  17  21.750  24.011  21.412
  187    H2     A  17           H2         A  17  26.435  26.347  21.483
  188   1H5*    G  18          H5*         G  18  27.029  25.607  12.919
  189   2H5*    G  18          H5**        G  18  25.651  26.303  13.766
  190    H4*    G  18           H4*        G  18  28.074  25.615  15.365
  191    H3*    G  18           H3*        G  18  26.122  23.501  14.371
  192    H2*    G  18           H2*        G  18  26.384  22.503  16.524
  193   2HO*    G  18          2HO*        G  18  28.819  23.496  16.360
  194    H1*    G  18           H1*        G  18  26.420  24.970  17.920
  195    H8     G  18           H8         G  18  23.557  25.415  15.720
  196    H1     G  18           H1         G  18  22.396  21.119  20.337
  197   1H2     G  18          H21         G  18  24.290  20.498  21.289
  198   2H2     G  18          H22         G  18  25.818  21.167  20.749
  199   1H5*    A  19          H5*         A  19  28.616  20.970  16.330
  200   2H5*    A  19          H5**        A  19  28.940  19.628  15.221
  201    H4*    A  19           H4*        A  19  27.932  18.779  17.211
  202    H3*    A  19           H3*        A  19  26.139  18.595  14.785
  203    H2*    A  19           H2*        A  19  24.570  17.447  16.211
  204   2HO*    A  19          2HO*        A  19  26.643  16.585  17.458
  205    H1*    A  19           H1*        A  19  24.759  19.220  18.280
  206    H8     A  19           H8         A  19  25.080  20.954  14.904
  207   1H6     A  19          H62         A  19  18.927  21.655  15.159
  208   2H6     A  19          H61         A  19  20.375  22.097  14.266
  209    H2     A  19           H2         A  19  20.140  19.029  18.519
  210   1H5*    U  20          H5*         U  20  25.298  15.290  15.593
  211   2H5*    U  20          H5**        U  20  25.025  14.320  14.149
  212    H4*    U  20           H4*        U  20  23.050  15.351  15.561
  213    H3*    U  20           H3*        U  20  23.020  15.004  12.564
  214    H2*    U  20           H2*        U  20  20.744  15.752  12.736
  215   2HO*    U  20          2HO*        U  20  19.657  15.410  14.541
  216    H1*    U  20           H1*        U  20  21.350  17.806  14.567
  217    H3     U  20           H3         U  20  19.945  19.535  10.479
  218    H5     U  20           H5         U  20  24.108  19.213  10.283
  219    H6     U  20           H6         U  20  24.045  17.954  12.357
  220   1H5*    G  21          H5*         G  21  20.019  13.032  14.837
  221   2H5*    G  21          H5**        G  21  19.118  11.766  14.023
  222    H4*    G  21           H4*        G  21  17.956  13.846  14.962
  223    H3*    G  21           H3*        G  21  17.014  12.002  13.197
  224    H2*    G  21           H2*        G  21  17.194  13.319  11.218
  225   2HO*    G  21          2HO*        G  21  14.797  13.616  12.436
  226    H1*    G  21           H1*        G  21  16.684  15.879  12.785
  227    H8     G  21           H8         G  21  19.514  14.489  10.560
  228    H1     G  21           H1         G  21  16.372  19.604   8.265
  229   1H2     G  21          H22         G  21  14.779  20.174   9.551
  230   2H2     G  21          H21         G  21  14.444  19.258  11.009
  231   1H5*    C  22          H5*         C  22  13.226  14.579  14.349
  232   2H5*    C  22          H5**        C  22  11.963  13.351  14.491
  233    H4*    C  22           H4*        C  22  11.215  15.118  13.084
  234    H3*    C  22           H3*        C  22  11.633  12.575  11.533
  235    H2*    C  22           H2*        C  22  10.721  13.768   9.672
  236   2HO*    C  22          2HO*        C  22   9.064  15.064  10.222
  237    H1*    C  22           H1*        C  22  11.924  16.243  10.457
  238   1H4     C  22          H42         C  22  15.495  14.849   5.371
  239   2H4     C  22          H41         C  22  16.000  13.359   6.129
  240    H5     C  22           H5         C  22  15.221  12.555   8.221
  241    H6     C  22           H6         C  22  13.769  13.016  10.116
  242   1H5*    A  23          H5*         A  23   7.780  14.393  12.154
  243   2H5*    A  23          H5**        A  23   6.360  13.349  12.091
  244    H4*    A  23           H4*        A  23   6.219  15.510  10.867
  245    H3*    A  23           H3*        A  23   4.812  13.324  10.275
  246    H2*    A  23           H2*        A  23   6.534  12.473   8.706
  247   2HO*    A  23          2HO*        A  23   4.488  13.988   7.454
  248    H1*    A  23           H1*        A  23   6.612  15.398   7.715
  249    H8     A  23           H8         A  23   9.168  12.541   8.385
  250   1H6     A  23          H62         A  23  11.175  13.791   2.627
  251   2H6     A  23          H61         A  23  11.465  12.810   4.057
  252    H2     A  23           H2         A  23   7.694  16.384   3.453
  253   1H5*    A  24          H5*         A  24   2.864  12.497   7.527
  254   2H5*    A  24          H5**        A  24   1.417  13.503   7.684
  255    H4*    A  24           H4*        A  24   0.814  11.692   9.514
  256    H3*    A  24           H3*        A  24   2.543  10.083   7.615
  257    H2*    A  24           H2*        A  24   0.948   8.338   7.944
  258   2HO*    A  24          2HO*        A  24   0.632   8.575  10.176
  259    H1*    A  24           H1*        A  24  -1.255  10.140   8.051
  260    H8     A  24           H8         A  24  -0.864  11.457   5.046
  261   1H6     A  24          H61         A  24  -1.668   6.097   2.073
  262   2H6     A  24          H62         A  24  -1.697   7.855   1.890
  263    H2     A  24           H2         A  24  -0.641   5.137   6.251
  264   1H5*    U  25          H5*         U  25   1.523   8.271  12.164
  265   2H5*    U  25          H5**        U  25   2.520   6.820  12.141
  266    H4*    U  25           H4*        U  25   0.542   6.090  12.903
  267    H3*    U  25           H3*        U  25   0.275   5.356   9.990
  268    H2*    U  25           H2*        U  25  -1.619   4.127  10.793
  269   2HO*    U  25          2HO*        U  25  -1.433   3.320  12.800
  270    H1*    U  25           H1*        U  25  -2.367   6.261  12.508
  271    H3     U  25           H3         U  25  -5.805   5.773   9.595
  272    H5     U  25           H5         U  25  -2.849   7.668   7.343
  273    H6     U  25           H6         U  25  -1.321   7.318   9.193
  274   1H5*    C  26          H5*         C  26   0.558   1.906  13.142
  275   2H5*    C  26          H5**        C  26   0.851   0.416  12.227
  276    H4*    C  26           H4*        C  26  -1.041   0.323  13.877
  277    H3*    C  26           H3*        C  26  -1.598  -0.375  10.987
  278    H2*    C  26           H2*        C  26  -3.840  -0.844  11.690
  279   2HO*    C  26          2HO*        C  26  -2.732  -1.706  13.826
  280    H1*    C  26           H1*        C  26  -3.973   1.298  13.555
  281   1H4     C  26          H41         C  26  -7.371   3.624   8.926
  282   2H4     C  26          H42         C  26  -6.156   3.769   7.731
  283    H5     C  26           H5         C  26  -3.757   3.000   8.419
  284    H6     C  26           H6         C  26  -2.507   1.929  10.216
  285   1H5*    C  27          H5*         C  27  -2.951  -3.563  13.758
  286   2H5*    C  27          H5**        C  27  -2.705  -5.100  12.932
  287    H4*    C  27           H4*        C  27  -5.042  -4.422  13.888
  288    H3*    C  27           H3*        C  27  -4.575  -5.977  11.348
  289    H2*    C  27           H2*        C  27  -6.937  -6.062  11.099
  290   2HO*    C  27          2HO*        C  27  -6.978  -6.176  13.662
  291    H1*    C  27           H1*        C  27  -7.410  -3.401  11.946
  292   1H4     C  27          H41         C  27  -7.757  -3.536   5.675
  293   2H4     C  27          H42         C  27  -6.293  -2.709   5.404
  294    H5     C  27           H5         C  27  -4.708  -2.448   7.534
  295    H6     C  27           H6         C  27  -4.650  -2.824   9.947
  296   1H5*    A  28          H5*         A  28  -7.153  -8.547  13.213
  297   2H5*    A  28          H5**        A  28  -6.557 -10.204  13.045
  298    H4*    A  28           H4*        A  28  -8.752  -9.937  12.034
  299    H3*    A  28           H3*        A  28  -6.557 -10.568  10.059
  300    H2*    A  28           H2*        A  28  -8.288 -10.721   8.438
  301   2HO*    A  28          2HO*        A  28 -10.112 -11.607   9.187
  302    H1*    A  28           H1*        A  28  -9.743  -8.508   9.454
  303    H8     A  28           H8         A  28  -5.916  -8.442   8.839
  304   1H6     A  28          H62         A  28  -7.462  -5.596   3.528
  305   2H6     A  28          H61         A  28  -6.109  -6.099   4.537
  306    H2     A  28           H2         A  28 -11.197  -6.771   5.597
  307   1H5*    G  29          H5*         G  29  -9.918 -13.421  10.862
  308   2H5*    G  29          H5**        G  29  -9.632 -15.065  10.282
  309    H4*    G  29           H4*        G  29 -11.783 -13.686   9.642
  310    H3*    G  29           H3*        G  29 -11.115 -16.064   8.719
  311    H2*    G  29           H2*        G  29  -9.347 -14.982   7.320
  312   2HO*    G  29          2HO*        G  29 -11.647 -15.940   5.928
  313    H1*    G  29           H1*        G  29 -11.750 -13.284   6.402
  314    H8     G  29           H8         G  29  -7.882 -13.131   6.788
  315    H1     G  29           H1         G  29 -10.329 -10.457   1.497
  316   1H2     G  29          H22         G  29 -12.513 -10.712   1.491
  317   2H2     G  29          H21         G  29 -13.339 -11.540   2.798
  318   1H5*    U  30          H5*         U  30 -13.116 -14.603   5.070
  319   2H5*    U  30          H5**        U  30 -14.713 -15.359   5.163
  320    H4*    U  30           H4*        U  30 -13.873 -15.290   2.889
  321    H3*    U  30           H3*        U  30 -14.292 -18.045   4.052
  322    H2*    U  30           H2*        U  30 -13.811 -18.849   1.859
  323   2HO*    U  30          2HO*        U  30 -14.817 -17.295   0.588
  324    H1*    U  30           H1*        U  30 -11.701 -16.970   1.426
  325    H3     U  30           H3         U  30 -10.406 -21.619   1.924
  326    H5     U  30           H5         U  30  -8.737 -19.173   4.874
  327    H6     U  30           H6         U  30 -10.286 -17.440   4.189
  328   1H5*    G  31          H5*         G  31 -16.394 -16.003   0.225
  329   2H5*    G  31          H5**        G  31 -17.805 -17.007  -0.132
  330    H4*    G  31           H4*        G  31 -16.884 -16.625  -2.174
  331    H3*    G  31           H3*        G  31 -15.974 -19.381  -1.396
  332    H2*    G  31           H2*        G  31 -14.986 -19.496  -3.533
  333   2HO*    G  31          2HO*        G  31 -16.489 -18.694  -4.954
  334    H1*    G  31           H1*        G  31 -14.299 -16.721  -3.620
  335    H8     G  31           H8         G  31 -12.947 -18.697  -0.613
  336    H1     G  31           H1         G  31  -9.260 -18.765  -5.851
  337   1H2     G  31          H21         G  31 -10.053 -18.030  -7.357
  338   2H2     G  31          H22         G  31 -11.557 -17.304  -7.589
  339   1H5*    G  32          H5*         G  32 -18.775 -18.732  -4.901
  340   2H5*    G  32          H5**        G  32 -19.799 -20.161  -5.142
  341    H4*    G  32           H4*        G  32 -18.739 -19.276  -7.222
  342    H3*    G  32           H3*        G  32 -18.232 -22.145  -6.432
  343    H2*    G  32           H2*        G  32 -16.883 -22.343  -8.397
  344   2HO*    G  32          2HO*        G  32 -18.567 -20.746  -9.455
  345    H1*    G  32           H1*        G  32 -15.666 -19.831  -8.188
  346    H8     G  32           H8         G  32 -15.895 -21.622  -4.844
  347    H1     G  32           H1         G  32 -10.653 -22.924  -8.266
  348   1H2     G  32          H21         G  32 -10.734 -22.252 -10.064
  349   2H2     G  32          H22         G  32 -11.911 -21.317 -10.843
  350   1H5*    U  33          H5*         U  33 -19.832 -21.911 -10.728
  351   2H5*    U  33          H5**        U  33 -20.580 -23.484 -11.038
  352    H4*    U  33           H4*        U  33 -18.801 -22.833 -12.645
  353    H3*    U  33           H3*        U  33 -18.503 -25.464 -11.189
  354    H2*    U  33           H2*        U  33 -16.494 -25.790 -12.435
  355   2HO*    U  33          2HO*        U  33 -17.694 -24.631 -14.341
  356    H1*    U  33           H1*        U  33 -15.592 -23.130 -12.245
  357    H3     U  33           H3         U  33 -12.531 -25.366  -9.797
  358    H5     U  33           H5         U  33 -15.954 -25.270  -7.333
  359    H6     U  33           H6         U  33 -17.160 -24.360  -9.200
  360   1H5*    C  34          H5*         C  34 -18.140 -26.640 -15.294
  361   2H5*    C  34          H5**        C  34 -18.920 -28.224 -15.446
  362    H4*    C  34           H4*        C  34 -16.479 -28.184 -15.998
  363    H3*    C  34           H3*        C  34 -17.447 -30.068 -13.855
  364    H2*    C  34           H2*        C  34 -15.230 -30.818 -13.630
  365   2HO*    C  34          2HO*        C  34 -14.090 -31.033 -15.421
  366    H1*    C  34           H1*        C  34 -14.043 -28.268 -14.170
  367   1H4     C  34          H42         C  34 -12.861 -29.515  -8.104
  368   2H4     C  34          H41         C  34 -14.375 -28.775  -7.607
  369    H5     C  34           H5         C  34 -16.043 -28.039  -9.242
  370    H6     C  34           H6         C  34 -16.535 -27.877 -11.636
  371   1H5*    C  35          H5*         C  35 -15.386 -31.760 -17.396
  372   2H5*    C  35          H5**        C  35 -15.566 -33.499 -17.599
  373    H4*    C  35           H4*        C  35 -13.236 -32.189 -17.223
  374    H3*    C  35           H3*        C  35 -13.609 -34.739 -17.846
  375    H2*    C  35           H2*        C  35 -14.308 -35.371 -15.565
  376   2HO*    C  35          2HO*        C  35 -11.930 -36.065 -14.695
  377    H1*    C  35           H1*        C  35 -11.839 -33.783 -14.648
  378   1H4     C  35          H41         C  35 -13.854 -36.158  -9.242
  379   2H4     C  35          H42         C  35 -15.292 -35.277  -9.078
  380    H5     C  35           H5         C  35 -16.011 -33.849 -11.242
  381    H6     C  35           H6         C  35 -15.213 -33.197 -13.461
  382    H3T    C  35           H3T        C  35 -11.370 -35.020 -17.273
  383   1H5*    A  36          H5*         A  36  -9.916 -14.199  -9.445
  384   2H5*    A  36          H5**        A  36 -11.640 -14.555  -9.562
  385    H4*    A  36           H4*        A  36 -12.129 -13.720  -7.588
  386    H3*    A  36           H3*        A  36 -10.117 -11.526  -7.889
  387    H2*    A  36           H2*        A  36 -10.208 -11.274  -5.584
  388   2HO*    A  36          2HO*        A  36 -12.520 -11.339  -5.341
  389    H1*    A  36           H1*        A  36 -10.662 -14.059  -5.047
  390    H8     A  36           H8         A  36  -7.504 -13.329  -7.023
  391   1H6     A  36          H61         A  36  -4.717 -12.958  -1.465
  392   2H6     A  36          H62         A  36  -4.393 -12.991  -3.192
  393    H2     A  36           H2         A  36  -9.037 -13.214  -0.791
  394    H5T    A  36           H5T        A  36 -11.504 -11.956  -9.550
  395   1H5*    C  37          H5*         C  37 -14.578 -10.845  -5.971
  396   2H5*    C  37          H5**        C  37 -14.795  -9.138  -6.429
  397    H4*    C  37           H4*        C  37 -15.418  -9.509  -4.105
  398    H3*    C  37           H3*        C  37 -12.963  -7.801  -4.532
  399    H2*    C  37           H2*        C  37 -12.916  -7.458  -2.204
  400   2HO*    C  37          2HO*        C  37 -14.791  -7.296  -1.174
  401    H1*    C  37           H1*        C  37 -13.816 -10.093  -1.607
  402   1H4     C  37          H42         C  37  -7.912 -10.167   0.353
  403   2H4     C  37          H41         C  37  -7.250 -10.312  -1.275
  404    H5     C  37           H5         C  37  -8.702 -10.187  -3.251
  405    H6     C  37           H6         C  37 -11.042  -9.910  -3.978
  406   1H5*    U  38          H5*         U  38 -16.244  -6.068  -2.354
  407   2H5*    U  38          H5**        U  38 -16.235  -4.311  -2.408
  408    H4*    U  38           H4*        U  38 -16.375  -5.276  -0.162
  409    H3*    U  38           H3*        U  38 -14.136  -3.342  -0.668
  410    H2*    U  38           H2*        U  38 -13.748  -3.475   1.678
  411   2HO*    U  38          2HO*        U  38 -15.589  -3.552   2.819
  412    H1*    U  38           H1*        U  38 -14.372  -6.245   1.827
  413    H3     U  38           H3         U  38 -10.141  -5.828   3.498
  414    H5     U  38           H5         U  38  -9.668  -5.804  -0.667
  415    H6     U  38           H6         U  38 -12.061  -5.644  -0.871
  416   1H5*    G  39          H5*         G  39 -17.190  -2.419   2.120
  417   2H5*    G  39          H5**        G  39 -17.486  -0.698   2.373
  418    H4*    G  39           H4*        G  39 -17.081  -1.919   4.457
  419    H3*    G  39           H3*        G  39 -15.162   0.303   3.758
  420    H2*    G  39           H2*        G  39 -14.298   0.001   5.982
  421   2HO*    G  39          2HO*        G  39 -16.677  -0.663   6.639
  422    H1*    G  39           H1*        G  39 -14.336  -2.784   5.839
  423    H8     G  39           H8         G  39 -13.102  -0.934   2.708
  424    H1     G  39           H1         G  39  -8.609  -2.454   6.991
  425   1H2     G  39          H21         G  39  -9.282  -3.178   8.565
  426   2H2     G  39          H22         G  39 -10.823  -3.541   9.115
  427   1H5*    G  40          H5*         G  40 -17.038   0.949   7.410
  428   2H5*    G  40          H5**        G  40 -17.605   2.625   7.491
  429    H4*    G  40           H4*        G  40 -16.347   2.129   9.465
  430    H3*    G  40           H3*        G  40 -14.872   3.979   7.574
  431    H2*    G  40           H2*        G  40 -13.362   4.296   9.361
  432   2HO*    G  40          2HO*        G  40 -13.775   3.435  11.462
  433    H1*    G  40           H1*        G  40 -13.377   1.488  10.002
  434    H8     G  40           H8         G  40 -13.051   2.595   6.326
  435    H1     G  40           H1         G  40  -7.551   1.763   9.523
  436   1H2     G  40          H22         G  40  -7.913   1.408  11.634
  437   2H2     G  40          H21         G  40  -9.557   1.348  12.245
  438   1H5*    C  41          H5*         C  41 -14.371   6.604  10.269
  439   2H5*    C  41          H5**        C  41 -15.818   7.607  10.115
  440    H4*    C  41           H4*        C  41 -14.682   9.425   9.755
  441    H3*    C  41           H3*        C  41 -14.007   8.639   7.328
  442    H2*    C  41           H2*        C  41 -12.355   7.017   8.239
  443   2HO*    C  41          2HO*        C  41 -11.433   9.179   6.825
  444    H1*    C  41           H1*        C  41 -11.316   9.475   9.714
  445   1H4     C  41          H42         C  41  -7.019   5.527  12.119
  446   2H4     C  41          H41         C  41  -8.227   4.305  12.496
  447    H5     C  41           H5         C  41 -10.563   4.577  11.908
  448    H6     C  41           H6         C  41 -12.180   6.085  10.840
  449   1H5*    U  42          H5*         U  42 -11.146  11.804   6.792
  450   2H5*    U  42          H5**        U  42 -11.661  12.766   5.404
  451    H4*    U  42           H4*        U  42  -9.487  11.449   5.245
  452    H3*    U  42           H3*        U  42 -11.503  11.203   2.996
  453    H2*    U  42           H2*        U  42  -9.687  10.053   1.880
  454   2HO*    U  42          2HO*        U  42  -7.888  11.305   2.750
  455    H1*    U  42           H1*        U  42  -9.126   8.507   4.170
  456    H3     U  42           H3         U  42 -11.018   5.876   0.874
  457    H5     U  42           H5         U  42 -14.202   7.394   3.110
  458    H6     U  42           H6         U  42 -12.645   8.872   4.207
  459   1H5*    U  43          H5*         U  43  -7.569  13.335   3.770
  460   2H5*    U  43          H5**        U  43  -7.365  14.649   2.602
  461    H4*    U  43           H4*        U  43  -5.233  13.832   3.319
  462    H3*    U  43           H3*        U  43  -5.821  13.250   0.408
  463    H2*    U  43           H2*        U  43  -3.493  12.519   0.298
  464   2HO*    U  43          2HO*        U  43  -2.952  14.216   2.049
  465    H1*    U  43           H1*        U  43  -3.738  10.979   2.627
  466    H3     U  43           H3         U  43  -4.022   7.533  -0.262
  467    H5     U  43           H5         U  43  -7.626   9.557  -0.860
  468    H6     U  43           H6         U  43  -6.826  11.276   0.620
  469   1H5*    G  44          H5*         G  44  -2.379  14.975  -0.137
  470   2H5*    G  44          H5**        G  44  -2.667  16.366  -1.188
  471    H4*    G  44           H4*        G  44  -1.873  15.435  -2.951
  472    H3*    G  44           H3*        G  44  -2.718  12.623  -2.321
  473    H2*    G  44           H2*        G  44  -1.244  12.111  -4.163
  474   2HO*    G  44          2HO*        G  44  -1.241  13.667  -5.718
  475    H1*    G  44           H1*        G  44   0.559  14.112  -3.263
  476    H8     G  44           H8         G  44  -0.555  11.524  -0.673
  477    H1     G  44           H1         G  44   4.820  10.226  -3.952
  478   1H2     G  44          H21         G  44   5.112  11.494  -5.402
  479   2H2     G  44          H22         G  44   4.198  12.842  -5.863
  480   1H5*    U  45          H5*         U  45  -3.256  14.700  -6.147
  481   2H5*    U  45          H5**        U  45  -4.492  13.995  -7.207
  482    H4*    U  45           H4*        U  45  -2.509  14.584  -8.476
  483    H3*    U  45           H3*        U  45  -3.085  11.624  -8.255
  484    H2*    U  45           H2*        U  45  -1.244  11.266  -9.670
  485   2HO*    U  45          2HO*        U  45  -1.882  13.502 -10.793
  486    H1*    U  45           H1*        U  45   0.437  13.070  -8.487
  487    H3     U  45           H3         U  45   2.453   9.286  -7.113
  488    H5     U  45           H5         U  45  -1.378   9.000  -5.420
  489    H6     U  45           H6         U  45  -1.963  11.018  -6.531
  490   1H5*    G  46          H5*         G  46  -3.111  11.949 -12.191
  491   2H5*    G  46          H5**        G  46  -4.127  10.726 -12.953
  492    H4*    G  46           H4*        G  46  -1.586  10.530 -13.170
  493    H3*    G  46           H3*        G  46  -3.248   8.126 -12.417
  494    H2*    G  46           H2*        G  46  -1.208   6.911 -12.475
  495   2HO*    G  46          2HO*        G  46   0.148   7.466 -14.037
  496    H1*    G  46           H1*        G  46   0.364   9.009 -11.311
  497    H8     G  46           H8         G  46  -2.757   8.549  -9.394
  498    H1     G  46           H1         G  46   1.890   4.363  -7.977
  499   1H2     G  46          H21         G  46   3.302   4.370  -9.162
  500   2H2     G  46          H22         G  46   3.606   5.282 -10.545
  501   1H5*    G  47          H5*         G  47  -1.034   7.822 -16.082
  502   2H5*    G  47          H5**        G  47  -1.668   6.650 -17.244
  503    H4*    G  47           H4*        G  47   0.690   6.285 -16.547
  504    H3*    G  47           H3*        G  47  -1.243   4.003 -16.062
  505    H2*    G  47           H2*        G  47   0.736   2.749 -15.507
  506   2HO*    G  47          2HO*        G  47   1.961   4.272 -17.189
  507    H1*    G  47           H1*        G  47   1.806   4.793 -13.940
  508    H8     G  47           H8         G  47  -1.939   4.457 -13.471
  509    H1     G  47           H1         G  47   1.624   0.289 -10.116
  510   1H2     G  47          H22         G  47   3.674   0.372 -10.698
  511   2H2     G  47          H21         G  47   4.186   1.456 -11.976
  512   1H5*    C  48          H5*         C  48   1.761   2.499 -18.509
  513   2H5*    C  48          H5**        C  48   1.128   1.375 -19.725
  514    H4*    C  48           H4*        C  48   2.853   0.353 -18.301
  515    H3*    C  48           H3*        C  48   0.088  -0.850 -18.131
  516    H2*    C  48           H2*        C  48   1.039  -2.504 -16.702
  517   2HO*    C  48          2HO*        C  48   3.107  -3.003 -17.154
  518    H1*    C  48           H1*        C  48   2.465  -0.678 -15.171
  519   1H4     C  48          H42         C  48  -2.906  -1.840 -12.138
  520   2H4     C  48          H41         C  48  -3.738  -0.481 -12.910
  521    H5     C  48           H5         C  48  -2.637   0.803 -14.706
  522    H6     C  48           H6         C  48  -0.605   0.975 -16.035
  523   1H5*    G  49          H5*         G  49   3.758  -2.789 -19.546
  524   2H5*    G  49          H5**        G  49   3.639  -4.324 -20.403
  525    H4*    G  49           H4*        G  49   5.182  -3.832 -18.224
  526    H3*    G  49           H3*        G  49   5.213  -5.945 -19.809
  527    H2*    G  49           H2*        G  49   2.998  -6.746 -18.983
  528   2HO*    G  49          2HO*        G  49   3.773  -8.497 -17.355
  529    H1*    G  49           H1*        G  49   4.287  -6.338 -16.213
  530    H8     G  49           H8         G  49   0.994  -4.811 -16.544
  531    H1     G  49           H1         G  49   0.534 -10.992 -14.802
  532   1H2     G  49          H21         G  49   2.453 -12.000 -15.127
  533   2H2     G  49          H22         G  49   3.843 -11.143 -15.773
  534    H3T    G  49           H3T        G  49   6.093  -7.044 -17.749
  Start of MODEL    4
    1   1H5*    G   1          H5*         G   1 -12.215 -38.527  -9.799
    2   2H5*    G   1          H5**        G   1 -10.459 -38.571  -9.657
    3    H4*    G   1           H4*        G   1 -10.749 -38.098 -11.830
    4    H3*    G   1           H3*        G   1  -9.659 -35.963 -10.391
    5    H2*    G   1           H2*        G   1 -11.162 -34.298 -10.908
    6   2HO*    G   1          2HO*        G   1  -9.490 -34.633 -12.942
    7    H1*    G   1           H1*        G   1 -12.271 -35.698 -13.363
    8    H8     G   1           H8         G   1 -13.769 -35.272  -9.866
    9    H1     G   1           H1         G   1 -16.489 -31.710 -14.415
   10   1H2     G   1          H21         G   1 -15.608 -31.802 -16.074
   11   2H2     G   1          H22         G   1 -14.261 -32.626 -16.645
   12    H5T    G   1           H5T        G   1 -10.484 -36.795  -8.459
   13   1H5*    G   2          H5*         G   2  -7.287 -34.840 -14.287
   14   2H5*    G   2          H5**        G   2  -5.780 -34.372 -13.495
   15    H4*    G   2           H4*        G   2  -6.599 -32.489 -14.682
   16    H3*    G   2           H3*        G   2  -6.988 -32.090 -11.711
   17    H2*    G   2           H2*        G   2  -7.826 -29.939 -12.255
   18   2HO*    G   2          2HO*        G   2  -6.905 -28.905 -13.888
   19    H1*    G   2           H1*        G   2  -9.136 -30.797 -14.631
   20    H8     G   2           H8         G   2  -9.512 -32.372 -11.074
   21    H1     G   2           H1         G   2 -14.282 -28.632 -13.176
   22   1H2     G   2          H22         G   2 -13.746 -27.798 -15.127
   23   2H2     G   2          H21         G   2 -12.206 -28.168 -15.890
   24   1H5*    A   3          H5*         A   3  -4.526 -28.999 -13.857
   25   2H5*    A   3          H5**        A   3  -3.623 -28.020 -12.699
   26    H4*    A   3           H4*        A   3  -5.166 -26.815 -14.316
   27    H3*    A   3           H3*        A   3  -5.233 -26.193 -11.376
   28    H2*    A   3           H2*        A   3  -6.914 -24.598 -11.867
   29   2HO*    A   3          2HO*        A   3  -6.559 -23.446 -13.644
   30    H1*    A   3           H1*        A   3  -8.079 -26.065 -13.997
   31    H8     A   3           H8         A   3  -7.635 -27.543 -10.443
   32   1H6     A   3          H61         A   3 -13.748 -26.259 -10.018
   33   2H6     A   3          H62         A   3 -12.521 -26.954  -9.057
   34    H2     A   3           H2         A   3 -12.331 -24.707 -13.785
   35   1H5*    C   4          H5*         C   4  -4.608 -22.872 -14.235
   36   2H5*    C   4          H5**        C   4  -3.640 -21.591 -13.496
   37    H4*    C   4           H4*        C   4  -5.810 -20.829 -14.492
   38    H3*    C   4           H3*        C   4  -5.177 -20.292 -11.602
   39    H2*    C   4           H2*        C   4  -7.168 -19.044 -11.459
   40   2HO*    C   4          2HO*        C   4  -8.334 -18.365 -13.217
   41    H1*    C   4           H1*        C   4  -8.705 -20.860 -12.922
   42   1H4     C   4          H41         C   4  -9.997 -21.813  -6.942
   43   2H4     C   4          H42         C   4  -8.944 -23.089  -6.612
   44    H5     C   4           H5         C   4  -7.127 -23.547  -8.601
   45    H6     C   4           H6         C   4  -6.549 -22.822 -10.851
   46   1H5*    C   5          H5*         C   5  -6.154 -16.869 -13.323
   47   2H5*    C   5          H5**        C   5  -5.095 -15.484 -13.020
   48    H4*    C   5           H4*        C   5  -7.426 -15.005 -12.413
   49    H3*    C   5           H3*        C   5  -5.198 -14.563 -10.890
   50    H2*    C   5           H2*        C   5  -5.684 -15.751  -8.965
   51   2HO*    C   5          2HO*        C   5  -7.177 -13.484  -8.924
   52    H1*    C   5           H1*        C   5  -8.674 -15.785  -9.643
   53   1H4     C   5          H42         C   5  -8.174 -20.248  -5.072
   54   2H4     C   5          H41         C   5  -6.608 -20.715  -5.693
   55    H5     C   5           H5         C   5  -5.508 -19.683  -7.564
   56    H6     C   5           H6         C   5  -5.705 -17.989  -9.286
   57   1H5*    C   6          H5*         C   6  -5.891 -12.314  -7.606
   58   2H5*    C   6          H5**        C   6  -4.977 -10.870  -7.979
   59    H4*    C   6           H4*        C   6  -4.357 -12.264  -5.956
   60    H3*    C   6           H3*        C   6  -2.858 -10.339  -6.906
   61    H2*    C   6           H2*        C   6  -2.087 -11.794  -8.781
   62   2HO*    C   6          2HO*        C   6   0.170 -12.526  -7.790
   63    H1*    C   6           H1*        C   6  -1.310 -13.783  -6.559
   64   1H4     C   6          H41         C   6   0.671 -16.481 -12.030
   65   2H4     C   6          H42         C   6  -1.013 -16.628 -12.537
   66    H5     C   6           H5         C   6  -2.857 -15.714 -11.273
   67    H6     C   6           H6         C   6  -3.407 -14.430  -9.228
   68   1H5*    G   7          H5*         G   7   0.799 -11.798  -5.335
   69   2H5*    G   7          H5**        G   7   1.372 -10.671  -4.100
   70    H4*    G   7           H4*        G   7   3.034 -11.010  -5.834
   71    H3*    G   7           H3*        G   7   1.986  -8.287  -5.315
   72    H2*    G   7           H2*        G   7   2.858  -7.394  -7.241
   73   2HO*    G   7          2HO*        G   7   5.034  -8.068  -6.772
   74    H1*    G   7           H1*        G   7   3.055  -9.768  -8.839
   75    H8     G   7           H8         G   7  -0.524  -9.166  -8.011
   76    H1     G   7           H1         G   7   1.744  -5.367 -12.675
   77   1H2     G   7          H22         G   7   3.902  -5.501 -12.764
   78   2H2     G   7          H21         G   7   4.814  -6.522 -11.652
   79   1H5*    C   8          H5*         C   8   6.673  -8.654  -5.808
   80   2H5*    C   8          H5**        C   8   7.222  -7.568  -4.523
   81    H4*    C   8           H4*        C   8   8.300  -7.309  -6.798
   82    H3*    C   8           H3*        C   8   7.236  -4.975  -5.229
   83    H2*    C   8           H2*        C   8   7.841  -3.544  -7.011
   84   2HO*    C   8          2HO*        C   8   9.817  -5.125  -7.337
   85    H1*    C   8           H1*        C   8   7.055  -5.266  -9.109
   86   1H4     C   8          H41         C   8   2.466  -0.998  -8.263
   87   2H4     C   8          H42         C   8   1.342  -2.179  -7.775
   88    H5     C   8           H5         C   8   2.278  -4.550  -7.218
   89    H6     C   8           H6         C   8   4.309  -5.888  -7.279
   90   1H5*    C   9          H5*         C   9  10.895  -3.528  -6.565
   91   2H5*    C   9          H5**        C   9  11.630  -2.626  -5.238
   92    H4*    C   9           H4*        C   9  11.230  -1.287  -7.269
   93    H3*    C   9           H3*        C   9   9.913  -0.343  -4.727
   94    H2*    C   9           H2*        C   9   9.187   1.534  -5.973
   95   2HO*    C   9          2HO*        C   9  10.771   2.257  -7.286
   96    H1*    C   9           H1*        C   9   8.696   0.065  -8.374
   97   1H4     C   9          H42         C   9   2.786   1.021  -6.030
   98   2H4     C   9          H41         C   9   3.159  -0.152  -4.798
   99    H5     C   9           H5         C   9   5.244  -1.180  -4.448
  100    H6     C   9           H6         C   9   7.537  -1.381  -5.233
  101   1H5*    A  10          H5*         A  10  13.010   2.189  -6.564
  102   2H5*    A  10          H5**        A  10  13.850   3.255  -5.425
  103    H4*    A  10           H4*        A  10  13.008   4.464  -7.377
  104    H3*    A  10           H3*        A  10  12.045   5.270  -4.669
  105    H2*    A  10           H2*        A  10  10.420   6.676  -5.570
  106   2HO*    A  10          2HO*        A  10  11.430   8.016  -6.972
  107    H1*    A  10           H1*        A  10  10.164   5.351  -8.097
  108    H8     A  10           H8         A  10   9.120   3.453  -4.901
  109   1H6     A  10          H61         A  10   3.403   5.155  -6.716
  110   2H6     A  10          H62         A  10   4.120   4.218  -5.510
  111    H2     A  10           H2         A  10   6.236   7.147  -9.300
  112   1H5*    C  11          H5*         C  11  13.550   8.566  -7.069
  113   2H5*    C  11          H5**        C  11  14.462   9.768  -6.143
  114    H4*    C  11           H4*        C  11  12.602  10.722  -7.474
  115    H3*    C  11           H3*        C  11  12.821  11.244  -4.554
  116    H2*    C  11           H2*        C  11  10.638  12.077  -4.394
  117   2HO*    C  11          2HO*        C  11  11.359  13.324  -6.506
  118    H1*    C  11           H1*        C  11   9.461  10.731  -6.636
  119   1H4     C  11          H42         C  11   6.391   7.903  -1.799
  120   2H4     C  11          H41         C  11   7.869   7.091  -1.367
  121    H5     C  11           H5         C  11   9.977   7.447  -2.425
  122    H6     C  11           H6         C  11  11.152   8.705  -4.122
  123   1H5*    U  12          H5*         U  12  11.582  15.342  -6.109
  124   2H5*    U  12          H5**        U  12  13.048  16.234  -5.674
  125    H4*    U  12           H4*        U  12  10.970  17.351  -5.008
  126    H3*    U  12           H3*        U  12  13.056  16.777  -2.932
  127    H2*    U  12           H2*        U  12  11.617  17.712  -1.287
  128   2HO*    U  12          2HO*        U  12  10.875  19.333  -3.053
  129    H1*    U  12           H1*        U  12   9.244  16.567  -2.183
  130    H3     U  12           H3         U  12  10.737  14.718   1.851
  131    H5     U  12           H5         U  12  11.826  12.110  -1.248
  132    H6     U  12           H6         U  12  11.249  13.830  -2.800
  133   1H5*    G  13          H5*         G  13  11.858  20.791  -2.749
  134   2H5*    G  13          H5**        G  13  13.029  21.892  -2.040
  135    H4*    G  13           H4*        G  13  10.714  21.149  -0.915
  136    H3*    G  13           H3*        G  13  12.752  22.779  -0.033
  137    H2*    G  13           H2*        G  13  13.718  21.471   1.620
  138   2HO*    G  13          2HO*        G  13  11.614  22.692   2.622
  139    H1*    G  13           H1*        G  13  11.330  19.680   2.071
  140    H8     G  13           H8         G  13  14.017  18.328  -0.069
  141    H1     G  13           H1         G  13  15.223  17.491   6.174
  142   1H2     G  13          H21         G  13  14.022  18.542   7.307
  143   2H2     G  13          H22         G  13  12.726  19.544   6.837
  144   1H5*    C  14          H5*         C  14   9.361  23.897   3.182
  145   2H5*    C  14          H5**        C  14   9.619  25.647   3.169
  146    H4*    C  14           H4*        C  14   9.652  24.696   5.404
  147    H3*    C  14           H3*        C  14  12.271  25.964   4.627
  148    H2*    C  14           H2*        C  14  12.912  25.565   6.861
  149   2HO*    C  14          2HO*        C  14  11.467  25.644   8.421
  150    H1*    C  14           H1*        C  14  11.493  23.086   6.989
  151   1H4     C  14          H41         C  14  17.504  21.851   7.549
  152   2H4     C  14          H42         C  14  17.876  21.506   5.942
  153    H5     C  14           H5         C  14  15.909  22.139   4.181
  154    H6     C  14           H6         C  14  13.601  22.966   4.113
  155   1H5*    A  15          H5*         A  15  10.416  27.701   8.238
  156   2H5*    A  15          H5**        A  15  11.099  29.298   8.557
  157    H4*    A  15           H4*        A  15  11.318  27.635  10.411
  158    H3*    A  15           H3*        A  15  13.809  29.010   9.390
  159    H2*    A  15           H2*        A  15  14.951  27.914  11.179
  160   2HO*    A  15          2HO*        A  15  12.853  28.276  12.535
  161    H1*    A  15           H1*        A  15  13.524  25.498  10.926
  162    H8     A  15           H8         A  15  15.043  27.218   7.809
  163   1H6     A  15          H62         A  15  19.740  23.217   8.753
  164   2H6     A  15          H61         A  15  19.119  24.447   7.647
  165    H2     A  15           H2         A  15  16.875  22.814  12.091
  166   1H5*    G  16          H5*         G  16  13.960  29.731  13.608
  167   2H5*    G  16          H5**        G  16  14.461  31.422  13.737
  168    H4*    G  16           H4*        G  16  15.954  30.077  14.979
  169    H3*    G  16           H3*        G  16  17.329  31.065  12.466
  170    H2*    G  16           H2*        G  16  19.334  30.317  13.654
  171   2HO*    G  16          2HO*        G  16  19.076  29.244  15.723
  172    H1*    G  16           H1*        G  16  18.137  27.812  14.059
  173    H8     G  16           H8         G  16  17.078  29.727  10.947
  174    H1     G  16           H1         G  16  21.833  25.530  10.017
  175   1H2     G  16          H22         G  16  22.490  24.714  11.885
  176   2H2     G  16          H21         G  16  21.768  25.185  13.413
  177   1H5*    A  17          H5*         A  17  20.202  33.791  12.061
  178   2H5*    A  17          H5**        A  17  19.857  32.254  12.867
  179    H4*    A  17           H4*        A  17  21.863  34.315  13.493
  180    H3*    A  17           H3*        A  17  21.695  31.327  13.905
  181    H2*    A  17           H2*        A  17  23.220  31.525  15.700
  182   2HO*    A  17          2HO*        A  17  24.376  33.266  14.249
  183    H1*    A  17           H1*        A  17  22.257  34.005  16.648
  184    H8     A  17           H8         A  17  19.260  31.917  16.191
  185   1H6     A  17          H62         A  17  20.531  29.465  21.770
  186   2H6     A  17          H61         A  17  19.296  29.594  20.519
  187    H2     A  17           H2         A  17  24.065  31.754  20.458
  188   1H5*    G  18          H5*         G  18  26.185  28.850  12.710
  189   2H5*    G  18          H5**        G  18  24.462  28.450  12.763
  190    H4*    G  18           H4*        G  18  26.262  29.283  15.019
  191    H3*    G  18           H3*        G  18  24.515  26.840  14.595
  192    H2*    G  18           H2*        G  18  24.388  26.718  16.975
  193   2HO*    G  18          2HO*        G  18  26.820  27.604  16.907
  194    H1*    G  18           H1*        G  18  24.242  29.528  17.323
  195    H8     G  18           H8         G  18  21.656  29.046  14.810
  196    H1     G  18           H1         G  18  19.997  26.578  20.500
  197   1H2     G  18          H21         G  18  21.770  26.406  21.788
  198   2H2     G  18          H22         G  18  23.351  26.907  21.220
  199   1H5*    A  19          H5*         A  19  26.515  25.342  17.648
  200   2H5*    A  19          H5**        A  19  27.074  23.725  17.183
  201    H4*    A  19           H4*        A  19  25.671  23.482  19.073
  202    H3*    A  19           H3*        A  19  24.359  22.510  16.528
  203    H2*    A  19           H2*        A  19  22.511  21.819  17.886
  204   2HO*    A  19          2HO*        A  19  24.254  21.380  19.706
  205    H1*    A  19           H1*        A  19  22.375  24.168  19.357
  206    H8     A  19           H8         A  19  23.372  24.780  15.756
  207   1H6     A  19          H62         A  19  17.322  25.330  14.550
  208   2H6     A  19          H61         A  19  18.933  25.536  13.871
  209    H2     A  19           H2         A  19  17.746  23.893  18.707
  210   1H5*    U  20          H5*         U  20  23.328  19.639  18.047
  211   2H5*    U  20          H5**        U  20  23.601  18.176  17.098
  212    H4*    U  20           H4*        U  20  21.232  18.905  17.333
  213    H3*    U  20           H3*        U  20  22.265  18.582  14.510
  214    H2*    U  20           H2*        U  20  19.921  18.689  13.962
  215   2HO*    U  20          2HO*        U  20  18.470  18.144  15.440
  216    H1*    U  20           H1*        U  20  19.543  20.913  15.621
  217    H3     U  20           H3         U  20  19.062  22.036  11.205
  218    H5     U  20           H5         U  20  23.175  22.221  11.925
  219    H6     U  20           H6         U  20  22.764  21.216  14.096
  220   1H5*    G  21          H5*         G  21  19.351  15.714  16.093
  221   2H5*    G  21          H5**        G  21  18.838  14.424  15.018
  222    H4*    G  21           H4*        G  21  17.265  16.330  15.970
  223    H3*    G  21           H3*        G  21  16.649  14.266  14.385
  224    H2*    G  21           H2*        G  21  17.014  15.381  12.265
  225   2HO*    G  21          2HO*        G  21  14.422  15.492  13.166
  226    H1*    G  21           H1*        G  21  15.881  17.980  13.363
  227    H8     G  21           H8         G  21  19.251  16.856  11.862
  228    H1     G  21           H1         G  21  15.915  21.072   8.351
  229   1H2     G  21          H22         G  21  14.027  21.510   9.257
  230   2H2     G  21          H21         G  21  13.550  20.720  10.750
  231   1H5*    C  22          H5*         C  22  12.735  16.710  14.586
  232   2H5*    C  22          H5**        C  22  11.484  15.511  14.936
  233    H4*    C  22           H4*        C  22  10.738  16.787  13.128
  234    H3*    C  22           H3*        C  22  11.556  14.064  12.157
  235    H2*    C  22           H2*        C  22  10.740  14.764  10.025
  236   2HO*    C  22          2HO*        C  22   8.904  15.911  10.163
  237    H1*    C  22           H1*        C  22  11.592  17.474  10.392
  238   1H4     C  22          H42         C  22  15.818  15.609   6.025
  239   2H4     C  22          H41         C  22  16.380  14.324   7.070
  240    H5     C  22           H5         C  22  15.439  13.822   9.212
  241    H6     C  22           H6         C  22  13.750  14.462  10.834
  242   1H5*    A  23          H5*         A  23   7.486  15.422  12.034
  243   2H5*    A  23          H5**        A  23   6.225  14.190  12.079
  244    H4*    A  23           H4*        A  23   5.967  15.960  10.359
  245    H3*    A  23           H3*        A  23   5.028  13.463  10.162
  246    H2*    A  23           H2*        A  23   7.042  12.641   9.006
  247   2HO*    A  23          2HO*        A  23   4.860  13.210   7.386
  248    H1*    A  23           H1*        A  23   6.811  15.270   7.411
  249    H8     A  23           H8         A  23   9.630  13.030   8.897
  250   1H6     A  23          H62         A  23  12.108  13.445   3.202
  251   2H6     A  23          H61         A  23  12.367  12.807   4.824
  252    H2     A  23           H2         A  23   8.264  15.602   3.174
  253   1H5*    A  24          H5*         A  24   3.758  11.643   7.559
  254   2H5*    A  24          H5**        A  24   2.203  12.411   7.222
  255    H4*    A  24           H4*        A  24   1.464  10.977   9.323
  256    H3*    A  24           H3*        A  24   3.689   9.285   8.135
  257    H2*    A  24           H2*        A  24   2.277   7.438   8.687
  258   2HO*    A  24          2HO*        A  24   1.477   8.136  10.702
  259    H1*    A  24           H1*        A  24  -0.083   8.774   7.845
  260    H8     A  24           H8         A  24   1.449   9.558   4.865
  261   1H6     A  24          H61         A  24   1.841   3.603   3.191
  262   2H6     A  24          H62         A  24   1.914   5.261   2.602
  263    H2     A  24           H2         A  24   1.100   3.712   7.541
  264   1H5*    U  25          H5*         U  25   2.257   8.293  12.794
  265   2H5*    U  25          H5**        U  25   3.349   6.966  13.179
  266    H4*    U  25           H4*        U  25   1.333   6.171  13.768
  267    H3*    U  25           H3*        U  25   1.709   4.905  11.061
  268    H2*    U  25           H2*        U  25  -0.311   3.748  11.599
  269   2HO*    U  25          2HO*        U  25  -0.065   3.161  13.730
  270    H1*    U  25           H1*        U  25  -1.440   5.989  12.960
  271    H3     U  25           H3         U  25  -4.660   5.528   9.890
  272    H5     U  25           H5         U  25  -1.306   6.326   7.544
  273    H6     U  25           H6         U  25   0.034   6.259   9.560
  274   1H5*    C  26          H5*         C  26   1.460   1.875  14.938
  275   2H5*    C  26          H5**        C  26   1.887   0.337  14.172
  276    H4*    C  26           H4*        C  26  -0.279   0.459  15.502
  277    H3*    C  26           H3*        C  26  -0.226  -0.796  12.757
  278    H2*    C  26           H2*        C  26  -2.578  -1.128  13.005
  279   2HO*    C  26          2HO*        C  26  -1.922  -1.615  15.461
  280    H1*    C  26           H1*        C  26  -3.047   1.220  14.581
  281   1H4     C  26          H41         C  26  -5.845   3.069   9.356
  282   2H4     C  26          H42         C  26  -4.602   2.866   8.263
  283    H5     C  26           H5         C  26  -2.305   1.980   9.248
  284    H6     C  26           H6         C  26  -1.263   1.154  11.310
  285   1H5*    C  27          H5*         C  27  -2.179  -3.611  15.567
  286   2H5*    C  27          H5**        C  27  -1.680  -5.211  15.036
  287    H4*    C  27           H4*        C  27  -4.120  -4.783  15.260
  288    H3*    C  27           H3*        C  27  -3.156  -6.018  12.682
  289    H2*    C  27           H2*        C  27  -5.478  -6.307  12.224
  290   2HO*    C  27          2HO*        C  27  -5.730  -6.657  14.753
  291    H1*    C  27           H1*        C  27  -6.205  -3.773  13.310
  292   1H4     C  27          H41         C  27  -6.614  -3.439   7.069
  293   2H4     C  27          H42         C  27  -5.101  -2.764   6.777
  294    H5     C  27           H5         C  27  -3.427  -2.727   8.884
  295    H6     C  27           H6         C  27  -3.336  -3.205  11.290
  296   1H5*    A  28          H5*         A  28  -5.752  -8.883  14.279
  297   2H5*    A  28          H5**        A  28  -5.128 -10.505  13.956
  298    H4*    A  28           H4*        A  28  -7.381 -10.132  13.060
  299    H3*    A  28           H3*        A  28  -5.286 -10.747  10.977
  300    H2*    A  28           H2*        A  28  -7.128 -10.888   9.470
  301   2HO*    A  28          2HO*        A  28  -8.945 -11.690  10.315
  302    H1*    A  28           H1*        A  28  -8.435  -8.633  10.590
  303    H8     A  28           H8         A  28  -4.684  -8.921   9.568
  304   1H6     A  28          H62         A  28  -6.516  -5.667   4.588
  305   2H6     A  28          H61         A  28  -5.113  -6.384   5.383
  306    H2     A  28           H2         A  28 -10.070  -6.473   7.083
  307   1H5*    G  29          H5*         G  29  -8.556 -13.561  11.851
  308   2H5*    G  29          H5**        G  29  -8.371 -15.192  11.206
  309    H4*    G  29           H4*        G  29 -10.492 -13.742  10.726
  310    H3*    G  29           H3*        G  29  -9.896 -16.077   9.637
  311    H2*    G  29           H2*        G  29  -8.245 -14.932   8.154
  312   2HO*    G  29          2HO*        G  29 -10.672 -15.766   6.910
  313    H1*    G  29           H1*        G  29 -10.692 -13.158   7.569
  314    H8     G  29           H8         G  29  -6.806 -13.103   7.554
  315    H1     G  29           H1         G  29  -9.722 -10.113   2.681
  316   1H2     G  29          H22         G  29 -11.878 -10.313   2.895
  317   2H2     G  29          H21         G  29 -12.612 -11.166   4.251
  318   1H5*    U  30          H5*         U  30 -12.195 -14.409   6.268
  319   2H5*    U  30          H5**        U  30 -13.781 -15.172   6.453
  320    H4*    U  30           H4*        U  30 -13.133 -14.962   4.119
  321    H3*    U  30           H3*        U  30 -13.465 -17.782   5.152
  322    H2*    U  30           H2*        U  30 -13.295 -18.407   2.853
  323   2HO*    U  30          2HO*        U  30 -13.789 -16.893   1.359
  324    H1*    U  30           H1*        U  30 -10.982 -16.828   2.464
  325    H3     U  30           H3         U  30 -10.276 -21.567   3.202
  326    H5     U  30           H5         U  30  -8.382 -19.230   6.103
  327    H6     U  30           H6         U  30  -9.678 -17.342   5.294
  328   1H5*    G  31          H5*         G  31 -15.767 -15.724   1.716
  329   2H5*    G  31          H5**        G  31 -17.232 -16.642   1.359
  330    H4*    G  31           H4*        G  31 -16.376 -16.127  -0.674
  331    H3*    G  31           H3*        G  31 -15.558 -18.990  -0.233
  332    H2*    G  31           H2*        G  31 -14.819 -18.877  -2.504
  333   2HO*    G  31          2HO*        G  31 -16.161 -17.732  -3.763
  334    H1*    G  31           H1*        G  31 -13.911 -16.189  -2.267
  335    H8     G  31           H8         G  31 -12.377 -18.341   0.457
  336    H1     G  31           H1         G  31  -9.436 -18.762  -5.212
  337   1H2     G  31          H21         G  31 -10.361 -17.970  -6.609
  338   2H2     G  31          H22         G  31 -11.804 -17.114  -6.673
  339   1H5*    G  32          H5*         G  32 -18.329 -17.760  -3.321
  340   2H5*    G  32          H5**        G  32 -19.460 -19.000  -3.873
  341    H4*    G  32           H4*        G  32 -18.238 -17.813  -5.698
  342    H3*    G  32           H3*        G  32 -18.041 -20.811  -5.494
  343    H2*    G  32           H2*        G  32 -16.802 -20.748  -7.504
  344   2HO*    G  32          2HO*        G  32 -17.686 -19.291  -8.885
  345    H1*    G  32           H1*        G  32 -15.331 -18.445  -6.846
  346    H8     G  32           H8         G  32 -15.500 -20.905  -3.998
  347    H1     G  32           H1         G  32 -11.077 -22.249  -8.434
  348   1H2     G  32          H21         G  32 -11.206 -21.190  -9.967
  349   2H2     G  32          H22         G  32 -12.240 -19.930 -10.397
  350   1H5*    U  33          H5*         U  33 -19.726 -19.337  -9.236
  351   2H5*    U  33          H5**        U  33 -20.933 -20.474  -9.865
  352    H4*    U  33           H4*        U  33 -19.179 -19.902 -11.515
  353    H3*    U  33           H3*        U  33 -19.515 -22.770 -10.673
  354    H2*    U  33           H2*        U  33 -17.738 -23.373 -12.062
  355   2HO*    U  33          2HO*        U  33 -17.722 -22.442 -13.984
  356    H1*    U  33           H1*        U  33 -16.218 -20.997 -11.707
  357    H3     U  33           H3         U  33 -13.490 -24.425 -10.568
  358    H5     U  33           H5         U  33 -16.054 -23.933  -7.251
  359    H6     U  33           H6         U  33 -17.346 -22.420  -8.596
  360   1H5*    C  34          H5*         C  34 -19.939 -22.083 -14.880
  361   2H5*    C  34          H5**        C  34 -21.045 -23.174 -15.733
  362    H4*    C  34           H4*        C  34 -18.727 -23.124 -16.656
  363    H3*    C  34           H3*        C  34 -19.920 -25.733 -15.758
  364    H2*    C  34           H2*        C  34 -17.878 -26.799 -16.282
  365   2HO*    C  34          2HO*        C  34 -17.229 -26.039 -18.229
  366    H1*    C  34           H1*        C  34 -16.169 -24.723 -15.466
  367   1H4     C  34          H42         C  34 -15.755 -29.178 -11.005
  368   2H4     C  34          H41         C  34 -17.070 -28.443 -10.094
  369    H5     C  34           H5         C  34 -18.361 -26.574 -10.993
  370    H6     C  34           H6         C  34 -18.631 -25.106 -12.908
  371   1H5*    C  35          H5*         C  35 -18.951 -25.606 -20.058
  372   2H5*    C  35          H5**        C  35 -19.577 -26.928 -21.038
  373    H4*    C  35           H4*        C  35 -17.007 -26.562 -20.528
  374    H3*    C  35           H3*        C  35 -18.063 -28.497 -21.972
  375    H2*    C  35           H2*        C  35 -18.895 -29.720 -19.962
  376   2HO*    C  35          2HO*        C  35 -16.805 -31.325 -19.778
  377    H1*    C  35           H1*        C  35 -16.008 -29.333 -18.980
  378   1H4     C  35          H41         C  35 -18.026 -32.705 -14.188
  379   2H4     C  35          H42         C  35 -19.132 -31.582 -13.515
  380    H5     C  35           H5         C  35 -19.650 -29.442 -15.026
  381    H6     C  35           H6         C  35 -18.952 -28.352 -17.101
  382    H3T    C  35           H3T        C  35 -15.996 -29.522 -21.853
  383   1H5*    A  36          H5*         A  36 -10.337 -14.505  -8.227
  384   2H5*    A  36          H5**        A  36 -12.095 -14.644  -8.273
  385    H4*    A  36           H4*        A  36 -12.381 -13.919  -6.203
  386    H3*    A  36           H3*        A  36 -10.097 -11.990  -6.478
  387    H2*    A  36           H2*        A  36 -10.160 -11.819  -4.132
  388   2HO*    A  36          2HO*        A  36 -12.244 -11.788  -3.435
  389    H1*    A  36           H1*        A  36 -10.669 -14.601  -3.751
  390    H8     A  36           H8         A  36  -7.891 -14.332  -6.160
  391   1H6     A  36          H61         A  36  -4.062 -13.575  -1.323
  392   2H6     A  36          H62         A  36  -4.096 -13.882  -3.056
  393    H2     A  36           H2         A  36  -8.180 -13.190   0.156
  394    H5T    A  36           H5T        A  36 -11.575 -12.072  -8.130
  395   1H5*    C  37          H5*         C  37 -13.896 -10.636  -4.882
  396   2H5*    C  37          H5**        C  37 -14.230  -8.905  -5.068
  397    H4*    C  37           H4*        C  37 -14.617  -9.641  -2.796
  398    H3*    C  37           H3*        C  37 -12.289  -7.725  -3.074
  399    H2*    C  37           H2*        C  37 -12.271  -7.729  -0.668
  400   2HO*    C  37          2HO*        C  37 -14.785  -7.953  -0.792
  401    H1*    C  37           H1*        C  37 -12.837 -10.491  -0.512
  402   1H4     C  37          H42         C  37  -6.868 -10.207   1.148
  403   2H4     C  37          H41         C  37  -6.259 -10.191  -0.514
  404    H5     C  37           H5         C  37  -7.854 -10.034  -2.420
  405    H6     C  37           H6         C  37 -10.241  -9.872  -2.983
  406   1H5*    U  38          H5*         U  38 -15.702  -6.456  -0.564
  407   2H5*    U  38          H5**        U  38 -15.792  -4.697  -0.528
  408    H4*    U  38           H4*        U  38 -15.860  -5.845   1.679
  409    H3*    U  38           H3*        U  38 -13.800  -3.681   1.273
  410    H2*    U  38           H2*        U  38 -13.409  -3.906   3.623
  411   2HO*    U  38          2HO*        U  38 -15.066  -4.469   4.865
  412    H1*    U  38           H1*        U  38 -13.628  -6.729   3.565
  413    H3     U  38           H3         U  38  -9.357  -5.627   4.932
  414    H5     U  38           H5         U  38  -9.252  -5.782   0.746
  415    H6     U  38           H6         U  38 -11.649  -5.907   0.754
  416   1H5*    G  39          H5*         G  39 -16.453  -3.040   4.537
  417   2H5*    G  39          H5**        G  39 -16.872  -1.324   4.602
  418    H4*    G  39           H4*        G  39 -16.065  -2.088   6.752
  419    H3*    G  39           H3*        G  39 -14.317  -0.099   5.315
  420    H2*    G  39           H2*        G  39 -13.060   0.036   7.310
  421   2HO*    G  39          2HO*        G  39 -14.324  -0.064   9.082
  422    H1*    G  39           H1*        G  39 -13.199  -2.722   7.832
  423    H8     G  39           H8         G  39 -12.248  -1.417   4.321
  424    H1     G  39           H1         G  39  -7.453  -2.481   8.421
  425   1H2     G  39          H21         G  39  -8.016  -2.983  10.109
  426   2H2     G  39          H22         G  39  -9.539  -3.229  10.785
  427   1H5*    G  40          H5*         G  40 -16.022   1.043   9.045
  428   2H5*    G  40          H5**        G  40 -16.654   2.699   8.972
  429    H4*    G  40           H4*        G  40 -15.368   2.385  11.003
  430    H3*    G  40           H3*        G  40 -14.233   4.272   8.928
  431    H2*    G  40           H2*        G  40 -12.468   4.745  10.480
  432   2HO*    G  40          2HO*        G  40 -14.311   4.470  12.253
  433    H1*    G  40           H1*        G  40 -12.330   2.032  11.465
  434    H8     G  40           H8         G  40 -12.203   2.736   7.686
  435    H1     G  40           H1         G  40  -6.579   1.952  10.700
  436   1H2     G  40          H22         G  40  -6.868   1.853  12.826
  437   2H2     G  40          H21         G  40  -8.486   1.941  13.500
  438   1H5*    C  41          H5*         C  41 -12.622   6.676   9.074
  439   2H5*    C  41          H5**        C  41 -13.518   6.589  10.603
  440    H4*    C  41           H4*        C  41 -14.429   8.935   9.625
  441    H3*    C  41           H3*        C  41 -12.500   8.910   7.827
  442    H2*    C  41           H2*        C  41 -10.896   7.893   9.468
  443   2HO*    C  41          2HO*        C  41 -10.562  10.638   8.883
  444    H1*    C  41           H1*        C  41 -11.738  10.322  11.127
  445   1H4     C  41          H42         C  41  -7.910   8.142  15.621
  446   2H4     C  41          H41         C  41  -8.347   6.467  15.311
  447    H5     C  41           H5         C  41  -9.859   5.840  13.560
  448    H6     C  41           H6         C  41 -11.277   6.695  11.764
  449   1H5*    U  42          H5*         U  42 -11.825  12.787   6.319
  450   2H5*    U  42          H5**        U  42 -12.084  11.994   4.766
  451    H4*    U  42           H4*        U  42 -10.015  11.539   6.762
  452    H3*    U  42           H3*        U  42 -10.216  11.067   3.781
  453    H2*    U  42           H2*        U  42  -8.309   9.604   4.041
  454   2HO*    U  42          2HO*        U  42  -7.646  10.994   6.059
  455    H1*    U  42           H1*        U  42  -9.557   8.097   5.952
  456    H3     U  42           H3         U  42 -10.179   6.523   1.538
  457    H5     U  42           H5         U  42 -13.726   8.366   2.766
  458    H6     U  42           H6         U  42 -12.539   9.243   4.657
  459   1H5*    U  43          H5*         U  43  -6.387  10.166   3.102
  460   2H5*    U  43          H5**        U  43  -6.471  11.448   4.312
  461    H4*    U  43           H4*        U  43  -5.353  12.875   2.407
  462    H3*    U  43           H3*        U  43  -4.518  10.049   1.678
  463    H2*    U  43           H2*        U  43  -2.334  11.042   1.135
  464   2HO*    U  43          2HO*        U  43  -3.718  13.304   0.963
  465    H1*    U  43           H1*        U  43  -2.111  12.056   3.611
  466    H3     U  43           H3         U  43  -0.200   7.836   3.468
  467    H5     U  43           H5         U  43  -3.992   7.349   5.158
  468    H6     U  43           H6         U  43  -4.501   9.604   4.516
  469   1H5*    G  44          H5*         G  44  -2.722  12.682  -0.937
  470   2H5*    G  44          H5**        G  44  -3.816  12.519  -2.314
  471    H4*    G  44           H4*        G  44  -1.844  12.919  -3.316
  472    H3*    G  44           H3*        G  44  -2.033   9.909  -3.306
  473    H2*    G  44           H2*        G  44  -0.087   9.995  -4.663
  474   2HO*    G  44          2HO*        G  44  -0.134  11.669  -6.079
  475    H1*    G  44           H1*        G  44   1.039  12.134  -3.142
  476    H8     G  44           H8         G  44  -0.213   9.410  -0.909
  477    H1     G  44           H1         G  44   5.564   8.362  -3.503
  478   1H2     G  44          H21         G  44   5.990   9.595  -4.883
  479   2H2     G  44          H22         G  44   5.130  10.912  -5.506
  480   1H5*    U  45          H5*         U  45  -2.172  12.153  -6.813
  481   2H5*    U  45          H5**        U  45  -3.193  11.624  -8.165
  482    H4*    U  45           H4*        U  45  -1.046  12.198  -9.037
  483    H3*    U  45           H3*        U  45  -1.609   9.225  -8.988
  484    H2*    U  45           H2*        U  45   0.466   8.893 -10.022
  485   2HO*    U  45          2HO*        U  45   0.031  11.055 -11.289
  486    H1*    U  45           H1*        U  45   1.872  10.738  -8.556
  487    H3     U  45           H3         U  45   3.776   7.038  -6.875
  488    H5     U  45           H5         U  45  -0.233   6.692  -5.669
  489    H6     U  45           H6         U  45  -0.718   8.663  -6.911
  490   1H5*    G  46          H5*         G  46  -0.689   9.448 -12.630
  491   2H5*    G  46          H5**        G  46  -1.624   8.340 -13.629
  492    H4*    G  46           H4*        G  46   0.801   7.836 -13.368
  493    H3*    G  46           H3*        G  46  -1.174   5.641 -12.817
  494    H2*    G  46           H2*        G  46   0.717   4.244 -12.473
  495   2HO*    G  46          2HO*        G  46   2.178   4.659 -14.070
  496    H1*    G  46           H1*        G  46   2.319   6.322 -11.273
  497    H8     G  46           H8         G  46  -1.005   6.014  -9.647
  498    H1     G  46           H1         G  46   3.546   2.048  -7.484
  499   1H2     G  46          H21         G  46   5.065   1.998  -8.553
  500   2H2     G  46          H22         G  46   5.472   2.823  -9.965
  501   1H5*    G  47          H5*         G  47   1.433   5.329 -16.290
  502   2H5*    G  47          H5**        G  47   0.801   4.360 -17.629
  503    H4*    G  47           H4*        G  47   3.032   3.649 -16.976
  504    H3*    G  47           H3*        G  47   0.827   1.622 -16.592
  505    H2*    G  47           H2*        G  47   2.497   0.094 -15.852
  506   2HO*    G  47          2HO*        G  47   3.994   1.173 -17.590
  507    H1*    G  47           H1*        G  47   3.986   1.970 -14.389
  508    H8     G  47           H8         G  47   0.155   2.006 -14.002
  509    H1     G  47           H1         G  47   3.421  -1.617  -9.822
  510   1H2     G  47          H22         G  47   5.506  -1.682 -10.316
  511   2H2     G  47          H21         G  47   6.100  -0.836 -11.733
  512   1H5*    C  48          H5*         C  48   3.878  -0.206 -19.353
  513   2H5*    C  48          H5**        C  48   2.956  -1.125 -20.558
  514    H4*    C  48           H4*        C  48   4.696  -2.455 -19.386
  515    H3*    C  48           H3*        C  48   1.831  -3.364 -19.263
  516    H2*    C  48           H2*        C  48   2.486  -5.156 -17.863
  517   2HO*    C  48          2HO*        C  48   4.364  -5.869 -18.898
  518    H1*    C  48           H1*        C  48   4.435  -3.726 -16.385
  519   1H4     C  48          H42         C  48  -0.412  -3.731 -12.392
  520   2H4     C  48          H41         C  48  -1.318  -2.551 -13.335
  521    H5     C  48           H5         C  48  -0.503  -1.765 -15.487
  522    H6     C  48           H6         C  48   1.305  -1.967 -17.097
  523   1H5*    G  49          H5*         G  49   5.342  -5.745 -20.794
  524   2H5*    G  49          H5**        G  49   4.885  -7.066 -21.862
  525    H4*    G  49           H4*        G  49   6.616  -7.355 -19.935
  526    H3*    G  49           H3*        G  49   5.536  -9.232 -21.527
  527    H2*    G  49           H2*        G  49   3.595  -9.564 -20.020
  528   2HO*    G  49          2HO*        G  49   4.491 -11.517 -18.659
  529    H1*    G  49           H1*        G  49   5.804  -9.433 -17.867
  530    H8     G  49           H8         G  49   3.036  -7.354 -16.968
  531    H1     G  49           H1         G  49   2.015 -13.376 -14.965
  532   1H2     G  49          H21         G  49   3.403 -14.728 -15.996
  533   2H2     G  49          H22         G  49   4.567 -14.137 -17.169
  534    H3T    G  49           H3T        G  49   6.767 -10.673 -20.036
  Start of MODEL    5
    1   1H5*    G   1          H5*         G   1  -4.044 -37.498  -4.344
    2   2H5*    G   1          H5**        G   1  -2.682 -36.393  -4.521
    3    H4*    G   1           H4*        G   1  -2.910 -37.388  -6.553
    4    H3*    G   1           H3*        G   1  -3.121 -34.655  -6.508
    5    H2*    G   1           H2*        G   1  -5.303 -34.339  -7.228
    6   2HO*    G   1          2HO*        G   1  -3.787 -34.422  -9.297
    7    H1*    G   1           H1*        G   1  -5.585 -36.964  -8.686
    8    H8     G   1           H8         G   1  -6.861 -35.990  -5.229
    9    H1     G   1           H1         G   1 -11.283 -35.939  -9.839
   10   1H2     G   1          H21         G   1 -10.618 -36.240 -11.546
   11   2H2     G   1          H22         G   1  -9.088 -36.492 -12.179
   12    H5T    G   1           H5T        G   1  -4.406 -35.417  -3.397
   13   1H5*    G   2          H5*         G   2  -1.880 -34.597 -10.966
   14   2H5*    G   2          H5**        G   2  -0.685 -33.299 -10.839
   15    H4*    G   2           H4*        G   2  -2.338 -32.602 -12.368
   16    H3*    G   2           H3*        G   2  -2.700 -31.107  -9.759
   17    H2*    G   2           H2*        G   2  -4.396 -29.883 -10.904
   18   2HO*    G   2          2HO*        G   2  -3.020 -29.861 -12.930
   19    H1*    G   2           H1*        G   2  -5.359 -32.153 -12.310
   20    H8     G   2           H8         G   2  -4.738 -32.145  -8.476
   21    H1     G   2           H1         G   2 -10.720 -30.974 -10.470
   22   1H2     G   2          H22         G   2 -10.768 -30.863 -12.668
   23   2H2     G   2          H21         G   2  -9.296 -31.068 -13.606
   24   1H5*    A   3          H5*         A   3  -1.855 -28.071 -13.234
   25   2H5*    A   3          H5**        A   3  -0.981 -26.803 -12.360
   26    H4*    A   3           H4*        A   3  -2.874 -25.982 -13.730
   27    H3*    A   3           H3*        A   3  -2.826 -25.351 -10.798
   28    H2*    A   3           H2*        A   3  -4.917 -24.312 -10.993
   29   2HO*    A   3          2HO*        A   3  -4.588 -22.973 -12.753
   30    H1*    A   3           H1*        A   3  -5.851 -25.911 -13.169
   31    H8     A   3           H8         A   3  -4.921 -27.328  -9.670
   32   1H6     A   3          H61         A   3 -11.165 -27.475  -9.060
   33   2H6     A   3          H62         A   3  -9.834 -27.883  -8.140
   34    H2     A   3           H2         A   3 -10.213 -25.589 -12.857
   35   1H5*    C   4          H5*         C   4  -3.567 -21.823 -13.886
   36   2H5*    C   4          H5**        C   4  -2.828 -20.442 -13.066
   37    H4*    C   4           H4*        C   4  -5.207 -20.171 -13.973
   38    H3*    C   4           H3*        C   4  -4.398 -19.326 -11.204
   39    H2*    C   4           H2*        C   4  -6.578 -18.541 -10.871
   40   2HO*    C   4          2HO*        C   4  -7.295 -17.464 -12.609
   41    H1*    C   4           H1*        C   4  -7.857 -20.605 -12.380
   42   1H4     C   4          H41         C   4  -9.285 -21.537  -6.415
   43   2H4     C   4          H42         C   4  -8.044 -22.669  -6.047
   44    H5     C   4           H5         C   4  -6.148 -22.926  -7.923
   45    H6     C   4           H6         C   4  -5.579 -22.191 -10.172
   46   1H5*    C   5          H5*         C   5  -6.013 -16.144 -13.432
   47   2H5*    C   5          H5**        C   5  -5.190 -14.590 -13.227
   48    H4*    C   5           H4*        C   5  -7.619 -14.445 -12.760
   49    H3*    C   5           H3*        C   5  -5.581 -13.501 -11.220
   50    H2*    C   5           H2*        C   5  -5.932 -14.482  -9.182
   51   2HO*    C   5          2HO*        C   5  -7.870 -12.599  -9.468
   52    H1*    C   5           H1*        C   5  -8.817 -15.218  -9.873
   53   1H4     C   5          H42         C   5  -7.253 -19.313  -5.154
   54   2H4     C   5          H41         C   5  -5.622 -19.364  -5.778
   55    H5     C   5           H5         C   5  -4.826 -18.126  -7.676
   56    H6     C   5           H6         C   5  -5.430 -16.617  -9.429
   57   1H5*    C   6          H5*         C   6  -6.554 -11.287  -8.140
   58   2H5*    C   6          H5**        C   6  -5.774  -9.769  -8.514
   59    H4*    C   6           H4*        C   6  -5.024 -11.249  -6.510
   60    H3*    C   6           H3*        C   6  -3.896  -8.993  -7.174
   61    H2*    C   6           H2*        C   6  -3.000 -10.145  -9.289
   62   2HO*    C   6          2HO*        C   6  -1.167  -9.364  -7.310
   63    H1*    C   6           H1*        C   6  -1.700 -12.007  -7.222
   64   1H4     C   6          H41         C   6   0.450 -14.449 -12.779
   65   2H4     C   6          H42         C   6  -1.221 -14.793 -13.232
   66    H5     C   6           H5         C   6  -3.146 -14.083 -11.892
   67    H6     C   6           H6         C   6  -3.724 -12.861  -9.849
   68   1H5*    G   7          H5*         G   7   0.140 -10.427  -5.878
   69   2H5*    G   7          H5**        G   7   0.555  -9.337  -4.547
   70    H4*    G   7           H4*        G   7   2.280  -9.345  -6.258
   71    H3*    G   7           H3*        G   7   0.863  -6.764  -5.727
   72    H2*    G   7           H2*        G   7   2.052  -5.714  -7.469
   73   2HO*    G   7          2HO*        G   7   4.154  -6.268  -7.449
   74    H1*    G   7           H1*        G   7   2.136  -7.948  -9.215
   75    H8     G   7           H8         G   7  -1.402  -7.437  -8.004
   76    H1     G   7           H1         G   7   0.267  -3.743 -12.977
   77   1H2     G   7          H22         G   7   2.376  -3.840 -13.326
   78   2H2     G   7          H21         G   7   3.454  -4.802 -12.323
   79   1H5*    C   8          H5*         C   8   5.322  -6.698  -5.562
   80   2H5*    C   8          H5**        C   8   5.853  -5.502  -4.368
   81    H4*    C   8           H4*        C   8   6.943  -5.237  -6.566
   82    H3*    C   8           H3*        C   8   5.342  -2.944  -5.461
   83    H2*    C   8           H2*        C   8   5.773  -1.713  -7.437
   84   2HO*    C   8          2HO*        C   8   8.091  -2.953  -7.281
   85    H1*    C   8           H1*        C   8   5.836  -3.958  -9.205
   86   1H4     C   8          H41         C   8   0.433  -1.503 -11.003
   87   2H4     C   8          H42         C   8  -0.437  -1.696  -9.542
   88    H5     C   8           H5         C   8   0.846  -2.800  -7.522
   89    H6     C   8           H6         C   8   3.048  -3.571  -6.833
   90   1H5*    C   9          H5*         C   9   9.221  -1.742  -6.428
   91   2H5*    C   9          H5**        C   9  10.007  -0.603  -5.330
   92    H4*    C   9           H4*        C   9   9.857   0.175  -7.672
   93    H3*    C   9           H3*        C   9   8.677   1.887  -5.492
   94    H2*    C   9           H2*        C   9   8.081   3.472  -7.185
   95   2HO*    C   9          2HO*        C   9  10.245   2.625  -8.334
   96    H1*    C   9           H1*        C   9   7.203   1.591  -9.074
   97   1H4     C   9          H42         C   9   1.716   3.291  -6.146
   98   2H4     C   9          H41         C   9   2.063   2.074  -4.953
   99    H5     C   9           H5         C   9   4.070   0.806  -4.825
  100    H6     C   9           H6         C   9   6.223   0.409  -5.832
  101   1H5*    A  10          H5*         A  10  11.920   4.258  -7.334
  102   2H5*    A  10          H5**        A  10  12.653   5.292  -6.099
  103    H4*    A  10           H4*        A  10  11.708   6.567  -7.985
  104    H3*    A  10           H3*        A  10  10.597   7.075  -5.241
  105    H2*    A  10           H2*        A  10   9.056   8.581  -6.153
  106   2HO*    A  10          2HO*        A  10  10.049   9.928  -7.541
  107    H1*    A  10           H1*        A  10   8.780   7.251  -8.673
  108    H8     A  10           H8         A  10   8.053   5.335  -5.388
  109   1H6     A  10          H61         A  10   2.135   6.733  -6.780
  110   2H6     A  10          H62         A  10   2.981   5.860  -5.619
  111    H2     A  10           H2         A  10   4.684   8.788  -9.625
  112   1H5*    C  11          H5*         C  11  12.025  10.632  -7.515
  113   2H5*    C  11          H5**        C  11  12.744  11.811  -6.402
  114    H4*    C  11           H4*        C  11  10.969  12.682  -7.994
  115    H3*    C  11           H3*        C  11  11.061  13.248  -5.072
  116    H2*    C  11           H2*        C  11   8.896  14.128  -5.035
  117   2HO*    C  11          2HO*        C  11   9.749  15.217  -7.243
  118    H1*    C  11           H1*        C  11   7.820  12.700  -7.294
  119   1H4     C  11          H42         C  11   4.415  10.313  -2.475
  120   2H4     C  11          H41         C  11   5.750   9.268  -2.059
  121    H5     C  11           H5         C  11   7.911   9.368  -3.122
  122    H6     C  11           H6         C  11   9.233  10.514  -4.801
  123   1H5*    U  12          H5*         U  12   9.890  17.195  -5.751
  124   2H5*    U  12          H5**        U  12  11.496  17.958  -5.758
  125    H4*    U  12           H4*        U  12  10.113  19.202  -4.284
  126    H3*    U  12           H3*        U  12  12.247  17.566  -2.966
  127    H2*    U  12           H2*        U  12  11.511  18.139  -0.862
  128   2HO*    U  12          2HO*        U  12  10.944  20.166  -0.572
  129    H1*    U  12           H1*        U  12   8.735  18.201  -1.422
  130    H3     U  12           H3         U  12   9.543  15.102   1.828
  131    H5     U  12           H5         U  12  10.287  13.136  -1.802
  132    H6     U  12           H6         U  12  10.113  15.266  -2.898
  133   1H5*    G  13          H5*         G  13  12.361  21.750  -2.134
  134   2H5*    G  13          H5**        G  13  13.783  22.440  -1.364
  135    H4*    G  13           H4*        G  13  11.393  22.154  -0.222
  136    H3*    G  13           H3*        G  13  13.771  23.088   0.788
  137    H2*    G  13           H2*        G  13  14.399  21.336   2.145
  138   2HO*    G  13          2HO*        G  13  13.009  21.143   4.094
  139    H1*    G  13           H1*        G  13  11.647  20.128   2.507
  140    H8     G  13           H8         G  13  14.033  18.661   0.059
  141    H1     G  13           H1         G  13  14.826  16.265   5.937
  142   1H2     G  13          H21         G  13  13.848  17.240   7.286
  143   2H2     G  13          H22         G  13  12.809  18.569   7.143
  144   1H5*    C  14          H5*         C  14  10.680  24.487   3.959
  145   2H5*    C  14          H5**        C  14  11.132  26.160   4.301
  146    H4*    C  14           H4*        C  14  11.010  24.976   6.331
  147    H3*    C  14           H3*        C  14  13.919  25.566   5.734
  148    H2*    C  14           H2*        C  14  14.307  24.653   7.920
  149   2HO*    C  14          2HO*        C  14  12.047  25.727   8.505
  150    H1*    C  14           H1*        C  14  12.335  22.637   7.655
  151   1H4     C  14          H41         C  14  17.692  19.630   7.418
  152   2H4     C  14          H42         C  14  18.189  19.925   5.854
  153    H5     C  14           H5         C  14  16.639  21.731   4.531
  154    H6     C  14           H6         C  14  14.601  23.080   4.801
  155   1H5*    A  15          H5*         A  15  12.819  27.032   9.761
  156   2H5*    A  15          H5**        A  15  13.961  28.318  10.140
  157    H4*    A  15           H4*        A  15  13.880  26.385  11.727
  158    H3*    A  15           H3*        A  15  16.525  27.326  10.623
  159    H2*    A  15           H2*        A  15  17.533  25.710  12.051
  160   2HO*    A  15          2HO*        A  15  15.724  26.337  13.715
  161    H1*    A  15           H1*        A  15  15.517  23.753  11.721
  162    H8     A  15           H8         A  15  17.012  25.435   8.607
  163   1H6     A  15          H62         A  15  20.710  20.419   8.454
  164   2H6     A  15          H61         A  15  20.253  21.884   7.579
  165    H2     A  15           H2         A  15  18.302  20.260  12.164
  166   1H5*    G  16          H5*         G  16  17.253  27.402  14.838
  167   2H5*    G  16          H5**        G  16  18.134  28.919  15.078
  168    H4*    G  16           H4*        G  16  19.458  27.147  15.900
  169    H3*    G  16           H3*        G  16  20.616  28.136  13.280
  170    H2*    G  16           H2*        G  16  22.551  26.823  13.998
  171   2HO*    G  16          2HO*        G  16  22.377  25.560  15.968
  172    H1*    G  16           H1*        G  16  20.876  24.604  14.372
  173    H8     G  16           H8         G  16  19.872  27.151  11.696
  174    H1     G  16           H1         G  16  23.085  22.048   9.525
  175   1H2     G  16          H22         G  16  23.763  20.839  11.152
  176   2H2     G  16          H21         G  16  23.437  21.260  12.826
  177   1H5*    A  17          H5*         A  17  23.977  30.222  12.635
  178   2H5*    A  17          H5**        A  17  23.392  28.699  13.321
  179    H4*    A  17           H4*        A  17  25.905  30.151  13.801
  180    H3*    A  17           H3*        A  17  25.066  27.253  13.961
  181    H2*    A  17           H2*        A  17  26.859  26.869  15.456
  182   2HO*    A  17          2HO*        A  17  28.149  28.495  13.971
  183    H1*    A  17           H1*        A  17  26.677  29.359  16.778
  184    H8     A  17           H8         A  17  23.244  28.027  16.680
  185   1H6     A  17          H62         A  17  24.760  24.673  21.700
  186   2H6     A  17          H61         A  17  23.413  25.216  20.701
  187    H2     A  17           H2         A  17  28.480  26.320  19.993
  188   1H5*    G  18          H5*         G  18  28.659  24.043  11.715
  189   2H5*    G  18          H5**        G  18  26.921  23.999  12.031
  190    H4*    G  18           H4*        G  18  29.178  24.186  14.005
  191    H3*    G  18           H3*        G  18  26.900  22.208  13.694
  192    H2*    G  18           H2*        G  18  27.099  21.845  16.039
  193   2HO*    G  18          2HO*        G  18  29.627  22.202  15.638
  194    H1*    G  18           H1*        G  18  27.640  24.568  16.634
  195    H8     G  18           H8         G  18  24.667  24.963  14.609
  196    H1     G  18           H1         G  18  23.364  22.147  20.229
  197   1H2     G  18          H21         G  18  25.221  21.433  21.157
  198   2H2     G  18          H22         G  18  26.771  21.660  20.371
  199   1H5*    A  19          H5*         A  19  28.917  19.942  16.194
  200   2H5*    A  19          H5**        A  19  28.989  18.315  15.495
  201    H4*    A  19           H4*        A  19  27.857  18.173  17.574
  202    H3*    A  19           H3*        A  19  25.997  17.817  15.215
  203    H2*    A  19           H2*        A  19  24.263  17.393  16.810
  204   2HO*    A  19          2HO*        A  19  26.091  16.351  18.255
  205    H1*    A  19           H1*        A  19  24.918  19.520  18.480
  206    H8     A  19           H8         A  19  25.429  20.337  14.815
  207   1H6     A  19          H62         A  19  19.528  22.245  14.805
  208   2H6     A  19          H61         A  19  21.011  22.199  13.858
  209    H2     A  19           H2         A  19  20.308  20.261  18.680
  210   1H5*    U  20          H5*         U  20  24.525  15.104  16.654
  211   2H5*    U  20          H5**        U  20  24.338  13.720  15.574
  212    H4*    U  20           H4*        U  20  22.231  14.873  16.204
  213    H3*    U  20           H3*        U  20  22.838  14.706  13.247
  214    H2*    U  20           H2*        U  20  20.543  15.368  13.019
  215   2HO*    U  20          2HO*        U  20  19.154  14.958  14.600
  216    H1*    U  20           H1*        U  20  20.837  17.397  14.941
  217    H3     U  20           H3         U  20  20.141  19.150  10.773
  218    H5     U  20           H5         U  20  24.242  18.350  10.931
  219    H6     U  20           H6         U  20  23.861  17.193  13.023
  220   1H5*    G  21          H5*         G  21  19.559  12.356  14.886
  221   2H5*    G  21          H5**        G  21  18.720  11.297  13.766
  222    H4*    G  21           H4*        G  21  17.622  13.341  15.035
  223    H3*    G  21           H3*        G  21  16.534  11.586  13.311
  224    H2*    G  21           H2*        G  21  16.852  12.891  11.306
  225   2HO*    G  21          2HO*        G  21  14.416  13.299  12.513
  226    H1*    G  21           H1*        G  21  16.307  15.456  12.858
  227    H8     G  21           H8         G  21  19.268  14.145  10.772
  228    H1     G  21           H1         G  21  16.051  19.116   8.260
  229   1H2     G  21          H22         G  21  14.353  19.613   9.461
  230   2H2     G  21          H21         G  21  13.983  18.680  10.901
  231   1H5*    C  22          H5*         C  22  12.938  14.459  14.406
  232   2H5*    C  22          H5**        C  22  11.599  13.318  14.593
  233    H4*    C  22           H4*        C  22  10.959  15.090  13.136
  234    H3*    C  22           H3*        C  22  11.199  12.475  11.669
  235    H2*    C  22           H2*        C  22  10.360  13.668   9.770
  236   2HO*    C  22          2HO*        C  22   8.764  15.033  10.357
  237    H1*    C  22           H1*        C  22  11.728  16.086  10.483
  238   1H4     C  22          H42         C  22  15.154  14.374   5.428
  239   2H4     C  22          H41         C  22  15.542  12.831   6.159
  240    H5     C  22           H5         C  22  14.700  12.103   8.280
  241    H6     C  22           H6         C  22  13.305  12.706  10.175
  242   1H5*    A  23          H5*         A  23   7.419  14.590  12.257
  243   2H5*    A  23          H5**        A  23   5.952  13.616  12.156
  244    H4*    A  23           H4*        A  23   5.989  15.814  10.935
  245    H3*    A  23           H3*        A  23   4.388  13.763  10.362
  246    H2*    A  23           H2*        A  23   6.103  12.740   8.881
  247   2HO*    A  23          2HO*        A  23   4.087  14.213   7.565
  248    H1*    A  23           H1*        A  23   6.342  15.622   7.794
  249    H8     A  23           H8         A  23   8.631  12.528   8.424
  250   1H6     A  23          H62         A  23  10.732  13.637   2.665
  251   2H6     A  23          H61         A  23  10.915  12.619   4.086
  252    H2     A  23           H2         A  23   7.551  16.590   3.564
  253   1H5*    A  24          H5*         A  24   2.387  13.164   7.539
  254   2H5*    A  24          H5**        A  24   0.977  14.213   7.738
  255    H4*    A  24           H4*        A  24   0.198  12.488   9.470
  256    H3*    A  24           H3*        A  24   2.146  10.722   7.957
  257    H2*    A  24           H2*        A  24   0.513   9.009   8.282
  258   2HO*    A  24          2HO*        A  24  -0.086   9.484  10.421
  259    H1*    A  24           H1*        A  24  -1.690  10.730   7.825
  260    H8     A  24           H8         A  24  -0.284  11.773   4.853
  261   1H6     A  24          H61         A  24  -0.737   6.132   2.347
  262   2H6     A  24          H62         A  24  -0.499   7.835   1.967
  263    H2     A  24           H2         A  24  -1.158   5.667   6.694
  264   1H5*    U  25          H5*         U  25   0.563   9.404  12.484
  265   2H5*    U  25          H5**        U  25   1.520   7.951  12.748
  266    H4*    U  25           H4*        U  25  -0.528   7.288  13.284
  267    H3*    U  25           H3*        U  25  -0.463   6.318  10.434
  268    H2*    U  25           H2*        U  25  -2.474   5.190  11.099
  269   2HO*    U  25          2HO*        U  25  -2.366   4.492  13.176
  270    H1*    U  25           H1*        U  25  -3.335   7.452  12.602
  271    H3     U  25           H3         U  25  -6.621   7.008   9.524
  272    H5     U  25           H5         U  25  -3.384   8.476   7.316
  273    H6     U  25           H6         U  25  -2.008   8.179   9.279
  274   1H5*    C  26          H5*         C  26  -0.277   2.877  13.810
  275   2H5*    C  26          H5**        C  26  -0.147   1.359  12.904
  276    H4*    C  26           H4*        C  26  -2.085   1.617  14.574
  277    H3*    C  26           H3*        C  26  -2.635   0.677  11.744
  278    H2*    C  26           H2*        C  26  -4.910   0.439  12.463
  279   2HO*    C  26          2HO*        C  26  -4.098  -0.275  14.693
  280    H1*    C  26           H1*        C  26  -4.943   2.855  13.891
  281   1H4     C  26          H41         C  26  -7.813   4.130   8.594
  282   2H4     C  26          H42         C  26  -6.499   4.210   7.538
  283    H5     C  26           H5         C  26  -4.121   3.714   8.628
  284    H6     C  26           H6         C  26  -3.077   3.005  10.714
  285   1H5*    C  27          H5*         C  27  -4.625  -2.186  14.768
  286   2H5*    C  27          H5**        C  27  -4.106  -3.722  14.067
  287    H4*    C  27           H4*        C  27  -6.570  -3.394  14.682
  288    H3*    C  27           H3*        C  27  -5.691  -4.666  12.086
  289    H2*    C  27           H2*        C  27  -8.003  -5.021  11.642
  290   2HO*    C  27          2HO*        C  27  -8.241  -5.318  14.168
  291    H1*    C  27           H1*        C  27  -8.833  -2.473  12.532
  292   1H4     C  27          H41         C  27  -8.456  -2.429   6.246
  293   2H4     C  27          H42         C  27  -7.023  -1.557   6.153
  294    H5     C  27           H5         C  27  -5.683  -1.256   8.455
  295    H6     C  27           H6         C  27  -5.862  -1.668  10.858
  296   1H5*    A  28          H5*         A  28  -8.231  -7.637  13.531
  297   2H5*    A  28          H5**        A  28  -7.428  -9.200  13.324
  298    H4*    A  28           H4*        A  28  -9.587  -9.116  12.193
  299    H3*    A  28           H3*        A  28  -7.223  -9.457  10.344
  300    H2*    A  28           H2*        A  28  -8.844  -9.748   8.622
  301   2HO*    A  28          2HO*        A  28 -10.607 -10.823   9.263
  302    H1*    A  28           H1*        A  28 -10.555  -7.703   9.592
  303    H8     A  28           H8         A  28  -6.776  -7.032   9.372
  304   1H6     A  28          H62         A  28  -8.108  -4.644   3.794
  305   2H6     A  28          H61         A  28  -6.827  -4.860   4.990
  306    H2     A  28           H2         A  28 -11.796  -6.476   5.407
  307   1H5*    G  29          H5*         G  29 -10.338 -12.543  10.926
  308   2H5*    G  29          H5**        G  29  -9.892 -14.178  10.432
  309    H4*    G  29           H4*        G  29 -12.114 -13.064   9.654
  310    H3*    G  29           H3*        G  29 -11.031 -15.333   8.773
  311    H2*    G  29           H2*        G  29  -9.550 -14.177   7.228
  312   2HO*    G  29          2HO*        G  29 -11.736 -15.458   6.140
  313    H1*    G  29           H1*        G  29 -12.040 -12.560   6.393
  314    H8     G  29           H8         G  29  -8.203 -12.278   6.933
  315    H1     G  29           H1         G  29 -10.476  -9.496   1.608
  316   1H2     G  29          H22         G  29 -12.651  -9.793   1.506
  317   2H2     G  29          H21         G  29 -13.513 -10.676   2.757
  318   1H5*    U  30          H5*         U  30 -13.541 -14.910   5.287
  319   2H5*    U  30          H5**        U  30 -14.848 -16.072   5.529
  320    H4*    U  30           H4*        U  30 -13.992 -16.093   3.274
  321    H3*    U  30           H3*        U  30 -13.696 -18.695   4.765
  322    H2*    U  30           H2*        U  30 -12.965 -19.582   2.661
  323   2HO*    U  30          2HO*        U  30 -14.448 -18.516   1.319
  324    H1*    U  30           H1*        U  30 -11.594 -17.163   1.935
  325    H3     U  30           H3         U  30  -8.864 -21.136   2.411
  326    H5     U  30           H5         U  30  -7.788 -18.119   5.099
  327    H6     U  30           H6         U  30  -9.874 -17.007   4.540
  328   1H5*    G  31          H5*         G  31 -16.236 -17.455   1.057
  329   2H5*    G  31          H5**        G  31 -17.427 -18.701   0.676
  330    H4*    G  31           H4*        G  31 -16.666 -18.146  -1.365
  331    H3*    G  31           H3*        G  31 -14.952 -20.522  -0.679
  332    H2*    G  31           H2*        G  31 -14.242 -20.373  -2.951
  333   2HO*    G  31          2HO*        G  31 -15.918 -19.793  -4.261
  334    H1*    G  31           H1*        G  31 -14.189 -17.521  -2.871
  335    H8     G  31           H8         G  31 -12.305 -19.272  -0.009
  336    H1     G  31           H1         G  31  -8.945 -18.383  -5.397
  337   1H2     G  31          H21         G  31  -9.957 -17.771  -6.836
  338   2H2     G  31          H22         G  31 -11.581 -17.368  -6.984
  339   1H5*    G  32          H5*         G  32 -18.112 -20.419  -3.530
  340   2H5*    G  32          H5**        G  32 -19.012 -21.891  -3.950
  341    H4*    G  32           H4*        G  32 -18.323 -20.536  -5.923
  342    H3*    G  32           H3*        G  32 -17.332 -23.376  -5.678
  343    H2*    G  32           H2*        G  32 -16.254 -23.090  -7.784
  344   2HO*    G  32          2HO*        G  32 -18.205 -21.591  -8.415
  345    H1*    G  32           H1*        G  32 -15.307 -20.526  -7.255
  346    H8     G  32           H8         G  32 -15.071 -23.141  -4.409
  347    H1     G  32           H1         G  32  -9.903 -22.512  -8.099
  348   1H2     G  32          H21         G  32 -10.197 -21.357  -9.610
  349   2H2     G  32          H22         G  32 -11.516 -20.438 -10.114
  350   1H5*    U  33          H5*         U  33 -19.121 -22.790  -9.534
  351   2H5*    U  33          H5**        U  33 -19.964 -24.291  -9.956
  352    H4*    U  33           H4*        U  33 -18.385 -23.670 -11.680
  353    H3*    U  33           H3*        U  33 -17.639 -26.198 -10.171
  354    H2*    U  33           H2*        U  33 -15.962 -26.462 -11.841
  355   2HO*    U  33          2HO*        U  33 -17.571 -25.401 -13.475
  356    H1*    U  33           H1*        U  33 -15.211 -23.741 -11.744
  357    H3     U  33           H3         U  33 -11.688 -25.996 -10.102
  358    H5     U  33           H5         U  33 -14.441 -25.973  -6.918
  359    H6     U  33           H6         U  33 -16.048 -25.052  -8.444
  360   1H5*    C  34          H5*         C  34 -18.490 -27.654 -13.960
  361   2H5*    C  34          H5**        C  34 -19.252 -29.251 -13.904
  362    H4*    C  34           H4*        C  34 -17.048 -29.195 -15.054
  363    H3*    C  34           H3*        C  34 -17.355 -31.037 -12.690
  364    H2*    C  34           H2*        C  34 -15.140 -31.734 -13.065
  365   2HO*    C  34          2HO*        C  34 -14.595 -32.005 -15.117
  366    H1*    C  34           H1*        C  34 -14.221 -29.180 -13.967
  367   1H4     C  34          H42         C  34 -11.356 -30.305  -8.459
  368   2H4     C  34          H41         C  34 -12.638 -29.486  -7.583
  369    H5     C  34           H5         C  34 -14.686 -28.733  -8.705
  370    H6     C  34           H6         C  34 -15.845 -28.640 -10.860
  371   1H5*    C  35          H5*         C  35 -16.320 -32.804 -16.641
  372   2H5*    C  35          H5**        C  35 -16.487 -34.554 -16.742
  373    H4*    C  35           H4*        C  35 -14.192 -33.169 -17.060
  374    H3*    C  35           H3*        C  35 -14.616 -35.746 -17.492
  375    H2*    C  35           H2*        C  35 -14.676 -36.294 -15.074
  376   2HO*    C  35          2HO*        C  35 -12.141 -36.941 -14.862
  377    H1*    C  35           H1*        C  35 -12.087 -34.638 -14.941
  378   1H4     C  35          H41         C  35 -12.432 -36.749  -9.074
  379   2H4     C  35          H42         C  35 -13.753 -35.832  -8.543
  380    H5     C  35           H5         C  35 -15.065 -34.499 -10.472
  381    H6     C  35           H6         C  35 -14.955 -33.976 -12.860
  382    H3T    C  35           H3T        C  35 -12.295 -35.946 -17.515
  383   1H5*    A  36          H5*         A  36 -10.743 -14.197  -8.631
  384   2H5*    A  36          H5**        A  36 -12.496 -14.362  -8.736
  385    H4*    A  36           H4*        A  36 -12.886 -13.274  -6.859
  386    H3*    A  36           H3*        A  36 -10.625 -11.366  -7.368
  387    H2*    A  36           H2*        A  36 -10.816 -10.790  -5.098
  388   2HO*    A  36          2HO*        A  36 -12.921 -10.668  -4.478
  389    H1*    A  36           H1*        A  36 -11.367 -13.460  -4.265
  390    H8     A  36           H8         A  36  -8.253 -13.224  -6.469
  391   1H6     A  36          H61         A  36  -5.216 -12.208  -1.125
  392   2H6     A  36          H62         A  36  -4.983 -12.514  -2.843
  393    H2     A  36           H2         A  36  -9.521 -12.090  -0.266
  394    H5T    A  36           H5T        A  36 -12.039 -11.810  -9.038
  395   1H5*    C  37          H5*         C  37 -14.625  -9.856  -6.060
  396   2H5*    C  37          H5**        C  37 -14.871  -8.152  -6.486
  397    H4*    C  37           H4*        C  37 -15.417  -8.583  -4.158
  398    H3*    C  37           H3*        C  37 -13.010  -6.795  -4.524
  399    H2*    C  37           H2*        C  37 -13.088  -6.502  -2.163
  400   2HO*    C  37          2HO*        C  37 -15.062  -6.456  -1.280
  401    H1*    C  37           H1*        C  37 -13.858  -9.205  -1.715
  402   1H4     C  37          H42         C  37  -8.021  -9.195   0.443
  403   2H4     C  37          H41         C  37  -7.292  -9.227  -1.162
  404    H5     C  37           H5         C  37  -8.693  -9.042  -3.195
  405    H6     C  37           H6         C  37 -11.008  -8.803  -3.985
  406   1H5*    U  38          H5*         U  38 -16.571  -5.332  -2.481
  407   2H5*    U  38          H5**        U  38 -16.686  -3.574  -2.486
  408    H4*    U  38           H4*        U  38 -16.952  -4.621  -0.274
  409    H3*    U  38           H3*        U  38 -14.775  -2.563  -0.540
  410    H2*    U  38           H2*        U  38 -14.564  -2.752   1.815
  411   2HO*    U  38          2HO*        U  38 -16.431  -3.005   2.858
  412    H1*    U  38           H1*        U  38 -14.999  -5.573   1.827
  413    H3     U  38           H3         U  38 -10.878  -4.937   3.705
  414    H5     U  38           H5         U  38 -10.243  -4.578  -0.417
  415    H6     U  38           H6         U  38 -12.634  -4.610  -0.724
  416   1H5*    G  39          H5*         G  39 -17.974  -1.714   2.126
  417   2H5*    G  39          H5**        G  39 -18.258   0.011   2.383
  418    H4*    G  39           H4*        G  39 -17.899  -1.236   4.467
  419    H3*    G  39           H3*        G  39 -15.894   0.941   3.849
  420    H2*    G  39           H2*        G  39 -15.149   0.593   6.103
  421   2HO*    G  39          2HO*        G  39 -17.578  -0.061   6.642
  422    H1*    G  39           H1*        G  39 -15.220  -2.192   5.868
  423    H8     G  39           H8         G  39 -13.822  -0.302   2.830
  424    H1     G  39           H1         G  39  -9.637  -1.704   7.453
  425   1H2     G  39          H21         G  39 -10.384  -2.413   8.962
  426   2H2     G  39          H22         G  39 -11.955  -2.794   9.405
  427   1H5*    G  40          H5*         G  40 -17.724   1.738   7.351
  428   2H5*    G  40          H5**        G  40 -18.228   3.429   7.478
  429    H4*    G  40           H4*        G  40 -16.995   2.853   9.410
  430    H3*    G  40           H3*        G  40 -15.360   4.674   7.617
  431    H2*    G  40           H2*        G  40 -13.932   4.837   9.540
  432   2HO*    G  40          2HO*        G  40 -16.134   4.417  10.898
  433    H1*    G  40           H1*        G  40 -14.053   2.041  10.000
  434    H8     G  40           H8         G  40 -13.699   3.109   6.337
  435    H1     G  40           H1         G  40  -8.202   2.517   9.606
  436   1H2     G  40          H22         G  40  -8.594   2.211  11.710
  437   2H2     G  40          H21         G  40 -10.244   2.135  12.306
  438   1H5*    C  41          H5*         C  41 -15.056   7.177  10.602
  439   2H5*    C  41          H5**        C  41 -16.292   8.395  10.263
  440    H4*    C  41           H4*        C  41 -14.831   9.978  10.313
  441    H3*    C  41           H3*        C  41 -14.263   9.375   7.787
  442    H2*    C  41           H2*        C  41 -12.769   7.506   8.559
  443   2HO*    C  41          2HO*        C  41 -11.701   9.635   7.252
  444    H1*    C  41           H1*        C  41 -11.660   9.804  10.262
  445   1H4     C  41          H42         C  41  -7.187   5.810  12.069
  446   2H4     C  41          H41         C  41  -8.304   4.563  12.591
  447    H5     C  41           H5         C  41 -10.745   4.855  12.221
  448    H6     C  41           H6         C  41 -12.438   6.372  11.292
  449   1H5*    U  42          H5*         U  42 -12.658  13.665   6.466
  450   2H5*    U  42          H5**        U  42 -12.966  12.856   4.934
  451    H4*    U  42           H4*        U  42 -11.050  12.075   7.091
  452    H3*    U  42           H3*        U  42 -10.796  12.801   4.187
  453    H2*    U  42           H2*        U  42  -9.064  11.217   3.905
  454   2HO*    U  42          2HO*        U  42  -8.525  11.650   6.389
  455    H1*    U  42           H1*        U  42 -10.394   9.114   5.065
  456    H3     U  42           H3         U  42 -10.720   9.366   0.347
  457    H5     U  42           H5         U  42 -14.396  10.475   1.994
  458    H6     U  42           H6         U  42 -13.333  10.590   4.141
  459   1H5*    U  43          H5*         U  43  -7.250  12.160   3.063
  460   2H5*    U  43          H5**        U  43  -7.109  12.744   4.723
  461    H4*    U  43           H4*        U  43  -6.082  14.868   3.546
  462    H3*    U  43           H3*        U  43  -5.630  12.690   1.493
  463    H2*    U  43           H2*        U  43  -3.443  13.660   1.152
  464   2HO*    U  43          2HO*        U  43  -4.514  15.824   2.218
  465    H1*    U  43           H1*        U  43  -2.807  13.330   3.795
  466    H3     U  43           H3         U  43  -1.935   9.603   0.973
  467    H5     U  43           H5         U  43  -5.152   8.664   3.490
  468    H6     U  43           H6         U  43  -5.256  10.976   4.108
  469   1H5*    G  44          H5*         G  44  -3.551  15.781  -0.244
  470   2H5*    G  44          H5**        G  44  -4.719  16.290  -1.470
  471    H4*    G  44           H4*        G  44  -2.883  16.407  -2.694
  472    H3*    G  44           H3*        G  44  -3.583  13.495  -3.136
  473    H2*    G  44           H2*        G  44  -1.733  13.521  -4.655
  474   2HO*    G  44          2HO*        G  44  -2.432  16.016  -5.034
  475    H1*    G  44           H1*        G  44  -0.154  15.168  -3.003
  476    H8     G  44           H8         G  44  -1.660  12.351  -1.010
  477    H1     G  44           H1         G  44   3.674  10.828  -4.235
  478   1H2     G  44          H21         G  44   4.210  12.200  -5.482
  479   2H2     G  44          H22         G  44   3.540  13.703  -5.840
  480   1H5*    U  45          H5*         U  45  -2.941  15.041  -6.776
  481   2H5*    U  45          H5**        U  45  -4.211  14.546  -7.886
  482    H4*    U  45           H4*        U  45  -2.230  14.036  -8.893
  483    H3*    U  45           H3*        U  45  -3.414  11.434  -7.967
  484    H2*    U  45           H2*        U  45  -1.697  10.460  -9.200
  485   2HO*    U  45          2HO*        U  45  -2.004  12.331 -10.892
  486    H1*    U  45           H1*        U  45   0.228  12.429  -8.577
  487    H3     U  45           H3         U  45   2.218   8.565  -7.392
  488    H5     U  45           H5         U  45  -1.084   8.782  -4.817
  489    H6     U  45           H6         U  45  -1.796  10.777  -5.978
  490   1H5*    G  46          H5*         G  46  -3.110  11.190 -12.356
  491   2H5*    G  46          H5**        G  46  -3.856   9.664 -12.810
  492    H4*    G  46           H4*        G  46  -1.188  10.166 -12.751
  493    H3*    G  46           H3*        G  46  -2.539   7.468 -12.669
  494    H2*    G  46           H2*        G  46  -0.384   6.550 -12.397
  495   2HO*    G  46          2HO*        G  46   0.338   8.547 -13.972
  496    H1*    G  46           H1*        G  46   0.627   8.687 -10.738
  497    H8     G  46           H8         G  46  -2.556   7.679  -9.392
  498    H1     G  46           H1         G  46   2.143   3.558  -8.006
  499   1H2     G  46          H21         G  46   3.675   3.795  -9.016
  500   2H2     G  46          H22         G  46   4.077   4.895 -10.221
  501   1H5*    G  47          H5*         G  47   0.139   7.471 -16.153
  502   2H5*    G  47          H5**        G  47  -0.681   6.647 -17.486
  503    H4*    G  47           H4*        G  47   1.491   5.696 -17.112
  504    H3*    G  47           H3*        G  47  -0.749   3.778 -16.412
  505    H2*    G  47           H2*        G  47   1.004   2.160 -16.124
  506   2HO*    G  47          2HO*        G  47   2.230   3.460 -17.970
  507    H1*    G  47           H1*        G  47   2.659   3.912 -14.689
  508    H8     G  47           H8         G  47  -0.981   4.361 -13.762
  509    H1     G  47           H1         G  47   2.001  -0.419 -10.672
  510   1H2     G  47          H22         G  47   3.933  -0.825 -11.536
  511   2H2     G  47          H21         G  47   4.508   0.136 -12.888
  512   1H5*    C  48          H5*         C  48   1.901   2.012 -19.295
  513   2H5*    C  48          H5**        C  48   0.972   1.107 -20.502
  514    H4*    C  48           H4*        C  48   2.780  -0.213 -19.488
  515    H3*    C  48           H3*        C  48  -0.045  -1.202 -19.180
  516    H2*    C  48           H2*        C  48   0.814  -3.064 -17.959
  517   2HO*    C  48          2HO*        C  48   2.671  -3.534 -19.216
  518    H1*    C  48           H1*        C  48   2.755  -1.633 -16.531
  519   1H4     C  48          H42         C  48  -1.922  -2.163 -12.356
  520   2H4     C  48          H41         C  48  -2.829  -0.830 -13.069
  521    H5     C  48           H5         C  48  -2.083   0.245 -15.131
  522    H6     C  48           H6         C  48  -0.358   0.226 -16.844
  523   1H5*    G  49          H5*         G  49   3.487  -3.142 -21.387
  524   2H5*    G  49          H5**        G  49   3.068  -4.546 -22.368
  525    H4*    G  49           H4*        G  49   5.040  -4.441 -20.511
  526    H3*    G  49           H3*        G  49   4.573  -6.354 -22.264
  527    H2*    G  49           H2*        G  49   2.480  -7.071 -21.121
  528   2HO*    G  49          2HO*        G  49   3.405  -9.035 -19.793
  529    H1*    G  49           H1*        G  49   4.249  -7.109 -18.600
  530    H8     G  49           H8         G  49   1.014  -5.272 -18.538
  531    H1     G  49           H1         G  49   0.521 -11.309 -16.425
  532   1H2     G  49          H21         G  49   2.326 -12.429 -16.918
  533   2H2     G  49          H22         G  49   3.665 -11.689 -17.774
  534    H3T    G  49           H3T        G  49   5.787  -7.771 -20.770
  Start of MODEL    6
    1   1H5*    G   1          H5*         G   1  -6.704 -38.621  -7.284
    2   2H5*    G   1          H5**        G   1  -5.113 -37.902  -7.052
    3    H4*    G   1           H4*        G   1  -5.245 -38.087  -9.282
    4    H3*    G   1           H3*        G   1  -5.130 -35.483  -8.404
    5    H2*    G   1           H2*        G   1  -7.153 -34.650  -9.148
    6   2HO*    G   1          2HO*        G   1  -5.435 -34.385 -11.054
    7    H1*    G   1           H1*        G   1  -7.598 -36.666 -11.344
    8    H8     G   1           H8         G   1  -9.104 -36.492  -7.836
    9    H1     G   1           H1         G   1 -12.963 -34.581 -12.556
   10   1H2     G   1          H21         G   1 -12.159 -34.520 -14.231
   11   2H2     G   1          H22         G   1 -10.610 -34.818 -14.791
   12    H5T    G   1           H5T        G   1  -6.007 -36.186  -6.213
   13   1H5*    G   2          H5*         G   2  -3.363 -34.236 -12.477
   14   2H5*    G   2          H5**        G   2  -2.060 -33.226 -11.838
   15    H4*    G   2           H4*        G   2  -3.412 -31.836 -13.157
   16    H3*    G   2           H3*        G   2  -4.033 -31.265 -10.253
   17    H2*    G   2           H2*        G   2  -5.390 -29.493 -11.095
   18   2HO*    G   2          2HO*        G   2  -4.686 -28.505 -12.879
   19    H1*    G   2           H1*        G   2  -6.335 -31.045 -13.275
   20    H8     G   2           H8         G   2  -6.332 -32.393  -9.643
   21    H1     G   2           H1         G   2 -11.774 -29.768 -11.793
   22   1H2     G   2          H22         G   2 -11.462 -28.905 -13.771
   23   2H2     G   2          H21         G   2  -9.892 -28.986 -14.553
   24   1H5*    A   3          H5*         A   3  -2.385 -28.152 -12.838
   25   2H5*    A   3          H5**        A   3  -1.606 -26.821 -11.972
   26    H4*    A   3           H4*        A   3  -3.318 -26.130 -13.663
   27    H3*    A   3           H3*        A   3  -3.603 -25.225 -10.810
   28    H2*    A   3           H2*        A   3  -5.551 -24.057 -11.456
   29   2HO*    A   3          2HO*        A   3  -5.314 -23.014 -13.336
   30    H1*    A   3           H1*        A   3  -6.375 -25.947 -13.406
   31    H8     A   3           H8         A   3  -5.639 -26.969  -9.744
   32   1H6     A   3          H61         A   3 -11.891 -26.675  -9.313
   33   2H6     A   3          H62         A   3 -10.596 -27.082  -8.303
   34    H2     A   3           H2         A   3 -10.766 -25.259 -13.206
   35   1H5*    C   4          H5*         C   4  -3.417 -22.204 -13.762
   36   2H5*    C   4          H5**        C   4  -2.616 -20.709 -13.265
   37    H4*    C   4           H4*        C   4  -4.851 -20.323 -14.199
   38    H3*    C   4           H3*        C   4  -4.305 -19.468 -11.364
   39    H2*    C   4           H2*        C   4  -6.516 -18.577 -11.286
   40   2HO*    C   4          2HO*        C   4  -6.157 -18.186 -13.841
   41    H1*    C   4           H1*        C   4  -7.739 -20.701 -12.577
   42   1H4     C   4          H41         C   4  -8.741 -21.731  -6.535
   43   2H4     C   4          H42         C   4  -7.476 -22.790  -6.212
   44    H5     C   4           H5         C   4  -5.640 -22.968  -8.225
   45    H6     C   4           H6         C   4  -5.236 -22.212 -10.500
   46   1H5*    C   5          H5*         C   5  -5.951 -16.324 -13.192
   47   2H5*    C   5          H5**        C   5  -5.112 -14.794 -12.914
   48    H4*    C   5           H4*        C   5  -7.473 -14.704 -12.249
   49    H3*    C   5           H3*        C   5  -5.301 -13.892 -10.786
   50    H2*    C   5           H2*        C   5  -5.594 -15.019  -8.806
   51   2HO*    C   5          2HO*        C   5  -7.437 -13.028  -8.873
   52    H1*    C   5           H1*        C   5  -8.543 -15.561  -9.482
   53   1H4     C   5          H42         C   5  -7.365 -19.685  -4.713
   54   2H4     C   5          H41         C   5  -5.743 -19.930  -5.322
   55    H5     C   5           H5         C   5  -4.811 -18.804  -7.256
   56    H6     C   5           H6         C   5  -5.274 -17.246  -9.035
   57   1H5*    C   6          H5*         C   6  -6.327 -11.727  -7.538
   58   2H5*    C   6          H5**        C   6  -5.584 -10.191  -7.913
   59    H4*    C   6           H4*        C   6  -4.816 -11.557  -5.875
   60    H3*    C   6           H3*        C   6  -3.673  -9.373  -6.728
   61    H2*    C   6           H2*        C   6  -2.766 -10.659  -8.710
   62   2HO*    C   6          2HO*        C   6  -1.012  -9.620  -6.867
   63    H1*    C   6           H1*        C   6  -1.535 -12.431  -6.512
   64   1H4     C   6          H41         C   6   0.786 -15.075 -11.907
   65   2H4     C   6          H42         C   6  -0.870 -15.387 -12.432
   66    H5     C   6           H5         C   6  -2.815 -14.631 -11.207
   67    H6     C   6           H6         C   6  -3.506 -13.365  -9.210
   68   1H5*    G   7          H5*         G   7   0.454 -10.371  -5.117
   69   2H5*    G   7          H5**        G   7   0.780  -8.986  -4.068
   70    H4*    G   7           H4*        G   7   2.437  -9.385  -5.912
   71    H3*    G   7           H3*        G   7   1.226  -6.689  -5.469
   72    H2*    G   7           H2*        G   7   2.111  -5.890  -7.473
   73   2HO*    G   7          2HO*        G   7   4.285  -6.570  -7.008
   74    H1*    G   7           H1*        G   7   2.244  -8.370  -8.906
   75    H8     G   7           H8         G   7  -1.296  -7.774  -7.946
   76    H1     G   7           H1         G   7   0.613  -4.271 -12.976
   77   1H2     G   7          H22         G   7   2.761  -4.368 -13.179
   78   2H2     G   7          H21         G   7   3.769  -5.285 -12.060
   79   1H5*    C   8          H5*         C   8   5.962  -7.205  -6.011
   80   2H5*    C   8          H5**        C   8   6.601  -5.928  -4.967
   81    H4*    C   8           H4*        C   8   7.586  -6.187  -7.301
   82    H3*    C   8           H3*        C   8   6.845  -3.528  -6.111
   83    H2*    C   8           H2*        C   8   7.498  -2.496  -8.166
   84   2HO*    C   8          2HO*        C   8   9.268  -4.295  -8.288
   85    H1*    C   8           H1*        C   8   6.366  -4.385  -9.877
   86   1H4     C   8          H41         C   8   2.236   0.350  -9.336
   87   2H4     C   8          H42         C   8   1.069  -0.645  -8.546
   88    H5     C   8           H5         C   8   1.854  -2.969  -7.710
   89    H6     C   8           H6         C   8   3.736  -4.481  -7.736
   90   1H5*    C   9          H5*         C   9  10.106  -2.236  -7.999
   91   2H5*    C   9          H5**        C   9  11.071  -1.374  -6.799
   92    H4*    C   9           H4*        C   9  10.416   0.028  -8.678
   93    H3*    C   9           H3*        C   9   9.566   0.873  -5.935
   94    H2*    C   9           H2*        C   9   8.427   2.679  -6.844
   95   2HO*    C   9          2HO*        C   9   9.797   3.712  -8.221
   96    H1*    C   9           H1*        C   9   7.752   1.441  -9.363
   97   1H4     C   9          H42         C   9   2.047   1.941  -6.462
   98   2H4     C   9          H41         C   9   2.580   0.712  -5.344
   99    H5     C   9           H5         C   9   4.740  -0.233  -5.256
  100    H6     C   9           H6         C   9   6.956  -0.262  -6.250
  101   1H5*    A  10          H5*         A  10  12.187   3.930  -8.155
  102   2H5*    A  10          H5**        A  10  13.055   4.840  -6.906
  103    H4*    A  10           H4*        A  10  11.888   6.307  -8.484
  104    H3*    A  10           H3*        A  10  11.085   6.441  -5.599
  105    H2*    A  10           H2*        A  10   9.364   7.957  -6.131
  106   2HO*    A  10          2HO*        A  10  10.089   9.526  -7.438
  107    H1*    A  10           H1*        A  10   8.948   7.003  -8.787
  108    H8     A  10           H8         A  10   8.401   4.592  -5.788
  109   1H6     A  10          H61         A  10   2.424   5.844  -6.968
  110   2H6     A  10          H62         A  10   3.305   4.856  -5.928
  111    H2     A  10           H2         A  10   4.778   8.398  -9.496
  112   1H5*    C  11          H5*         C  11  12.178  10.179  -7.613
  113   2H5*    C  11          H5**        C  11  12.947  11.372  -6.551
  114    H4*    C  11           H4*        C  11  10.968  12.201  -7.860
  115    H3*    C  11           H3*        C  11  11.216  12.575  -4.907
  116    H2*    C  11           H2*        C  11   9.002  13.393  -4.752
  117   2HO*    C  11          2HO*        C  11   9.682  14.534  -6.979
  118    H1*    C  11           H1*        C  11   7.873  11.911  -6.913
  119   1H4     C  11          H42         C  11   5.241   8.900  -1.922
  120   2H4     C  11          H41         C  11   6.751   8.066  -1.665
  121    H5     C  11           H5         C  11   8.775   8.490  -2.907
  122    H6     C  11           H6         C  11   9.777   9.837  -4.627
  123   1H5*    U  12          H5*         U  12   9.609  16.384  -5.740
  124   2H5*    U  12          H5**        U  12  11.129  17.290  -5.871
  125    H4*    U  12           H4*        U  12   9.694  18.622  -4.608
  126    H3*    U  12           H3*        U  12  11.776  17.284  -2.885
  127    H2*    U  12           H2*        U  12  10.878  18.435  -1.028
  128   2HO*    U  12          2HO*        U  12  10.209  20.272  -2.748
  129    H1*    U  12           H1*        U  12   8.227  17.868  -1.608
  130    H3     U  12           H3         U  12   9.789  15.362   1.964
  131    H5     U  12           H5         U  12  10.272  13.007  -1.477
  132    H6     U  12           H6         U  12   9.767  14.947  -2.782
  133   1H5*    G  13          H5*         G  13  11.938  21.441  -2.479
  134   2H5*    G  13          H5**        G  13  13.413  22.086  -1.776
  135    H4*    G  13           H4*        G  13  11.056  22.078  -0.574
  136    H3*    G  13           H3*        G  13  13.581  22.755   0.318
  137    H2*    G  13           H2*        G  13  14.008  21.011   1.728
  138   2HO*    G  13          2HO*        G  13  12.678  21.124   3.750
  139    H1*    G  13           H1*        G  13  11.111  20.252   2.226
  140    H8     G  13           H8         G  13  13.493  18.386  -0.023
  141    H1     G  13           H1         G  13  13.180  16.008   5.916
  142   1H2     G  13          H21         G  13  12.238  17.082   7.104
  143   2H2     G  13          H22         G  13  11.438  18.549   6.946
  144   1H5*    C  14          H5*         C  14  10.771  25.139   3.403
  145   2H5*    C  14          H5**        C  14  11.719  26.606   3.668
  146    H4*    C  14           H4*        C  14  11.199  25.474   5.749
  147    H3*    C  14           H3*        C  14  14.130  25.611   5.133
  148    H2*    C  14           H2*        C  14  14.524  24.458   7.129
  149   2HO*    C  14          2HO*        C  14  13.379  25.191   8.811
  150    H1*    C  14           H1*        C  14  12.055  22.970   7.060
  151   1H4     C  14          H41         C  14  16.152  18.399   6.576
  152   2H4     C  14          H42         C  14  17.158  18.999   5.349
  153    H5     C  14           H5         C  14  16.454  21.322   4.294
  154    H6     C  14           H6         C  14  14.843  23.154   4.555
  155   1H5*    A  15          H5*         A  15  12.623  27.427   8.912
  156   2H5*    A  15          H5**        A  15  13.642  28.781   9.430
  157    H4*    A  15           H4*        A  15  13.160  27.142  11.220
  158    H3*    A  15           H3*        A  15  16.036  27.713  10.513
  159    H2*    A  15           H2*        A  15  16.687  26.166  12.193
  160   2HO*    A  15          2HO*        A  15  14.618  27.106  13.437
  161    H1*    A  15           H1*        A  15  14.565  24.338  11.787
  162    H8     A  15           H8         A  15  16.347  25.409   8.594
  163   1H6     A  15          H62         A  15  19.906  20.379   9.521
  164   2H6     A  15          H61         A  15  19.518  21.654   8.379
  165    H2     A  15           H2         A  15  17.365  20.946  13.095
  166   1H5*    G  16          H5*         G  16  16.267  28.369  14.650
  167   2H5*    G  16          H5**        G  16  17.251  29.826  14.824
  168    H4*    G  16           H4*        G  16  18.332  28.062  15.964
  169    H3*    G  16           H3*        G  16  19.807  28.660  13.399
  170    H2*    G  16           H2*        G  16  21.567  27.338  14.375
  171   2HO*    G  16          2HO*        G  16  21.300  26.362  16.434
  172    H1*    G  16           H1*        G  16  19.725  25.249  14.741
  173    H8     G  16           H8         G  16  18.967  27.678  11.865
  174    H1     G  16           H1         G  16  21.995  22.309  10.130
  175   1H2     G  16          H22         G  16  22.548  21.156  11.836
  176   2H2     G  16          H21         G  16  22.182  21.684  13.469
  177   1H5*    A  17          H5*         A  17  23.338  31.430  13.044
  178   2H5*    A  17          H5**        A  17  23.918  29.825  12.584
  179    H4*    A  17           H4*        A  17  25.036  31.303  14.477
  180    H3*    A  17           H3*        A  17  24.984  28.298  14.455
  181    H2*    A  17           H2*        A  17  26.145  28.403  16.520
  182   2HO*    A  17          2HO*        A  17  27.708  29.981  15.996
  183    H1*    A  17           H1*        A  17  24.821  30.799  17.364
  184    H8     A  17           H8         A  17  21.871  29.006  16.998
  185   1H6     A  17          H62         A  17  23.223  25.607  22.032
  186   2H6     A  17          H61         A  17  21.924  26.080  20.942
  187    H2     A  17           H2         A  17  26.935  27.576  20.684
  188   1H5*    G  18          H5*         G  18  27.006  25.534  12.313
  189   2H5*    G  18          H5**        G  18  25.828  26.598  13.074
  190    H4*    G  18           H4*        G  18  28.218  25.897  14.689
  191    H3*    G  18           H3*        G  18  26.081  23.817  14.138
  192    H2*    G  18           H2*        G  18  26.332  23.214  16.429
  193   2HO*    G  18          2HO*        G  18  28.830  23.845  16.039
  194    H1*    G  18           H1*        G  18  26.694  25.879  17.347
  195    H8     G  18           H8         G  18  23.673  26.137  15.299
  196    H1     G  18           H1         G  18  22.690  22.894  20.749
  197   1H2     G  18          H21         G  18  24.629  22.331  21.651
  198   2H2     G  18          H22         G  18  26.136  22.779  20.872
  199   1H5*    A  19          H5*         A  19  28.478  21.244  16.207
  200   2H5*    A  19          H5**        A  19  28.474  19.743  15.276
  201    H4*    A  19           H4*        A  19  27.597  19.350  17.458
  202    H3*    A  19           H3*        A  19  25.492  19.055  15.304
  203    H2*    A  19           H2*        A  19  24.044  18.317  17.084
  204   2HO*    A  19          2HO*        A  19  26.174  17.421  18.200
  205    H1*    A  19           H1*        A  19  24.686  20.402  18.786
  206    H8     A  19           H8         A  19  24.788  21.470  15.149
  207   1H6     A  19          H62         A  19  18.760  22.783  15.745
  208   2H6     A  19          H61         A  19  20.156  22.928  14.683
  209    H2     A  19           H2         A  19  20.063  20.668  19.415
  210   1H5*    U  20          H5*         U  20  24.509  15.885  16.871
  211   2H5*    U  20          H5**        U  20  24.250  14.583  15.696
  212    H4*    U  20           H4*        U  20  22.208  15.518  16.898
  213    H3*    U  20           H3*        U  20  22.201  15.313  13.875
  214    H2*    U  20           H2*        U  20  19.904  15.988  14.035
  215   2HO*    U  20          2HO*        U  20  19.794  14.828  16.274
  216    H1*    U  20           H1*        U  20  20.452  18.120  15.725
  217    H3     U  20           H3         U  20  19.517  19.613  11.499
  218    H5     U  20           H5         U  20  23.600  18.676  11.442
  219    H6     U  20           H6         U  20  23.323  17.692  13.606
  220   1H5*    G  21          H5*         G  21  18.849  13.324  15.631
  221   2H5*    G  21          H5**        G  21  18.108  12.177  14.528
  222    H4*    G  21           H4*        G  21  16.952  14.400  15.439
  223    H3*    G  21           H3*        G  21  16.122  12.474  13.616
  224    H2*    G  21           H2*        G  21  16.300  13.744  11.658
  225   2HO*    G  21          2HO*        G  21  13.952  14.255  12.900
  226    H1*    G  21           H1*        G  21  16.003  16.375  13.146
  227    H8     G  21           H8         G  21  19.102  15.031  11.367
  228    H1     G  21           H1         G  21  15.807  19.511   8.145
  229   1H2     G  21          H22         G  21  13.941  19.932   9.142
  230   2H2     G  21          H21         G  21  13.517  19.119  10.638
  231   1H5*    C  22          H5*         C  22  12.101  14.813  14.856
  232   2H5*    C  22          H5**        C  22  10.937  13.482  14.886
  233    H4*    C  22           H4*        C  22  10.183  15.374  13.533
  234    H3*    C  22           H3*        C  22  10.530  12.780  12.046
  235    H2*    C  22           H2*        C  22   9.769  13.916  10.117
  236   2HO*    C  22          2HO*        C  22   8.055  15.178  10.568
  237    H1*    C  22           H1*        C  22  10.938  16.427  10.832
  238   1H4     C  22          H42         C  22  14.668  14.722   5.961
  239   2H4     C  22          H41         C  22  15.093  13.244   6.789
  240    H5     C  22           H5         C  22  14.217  12.565   8.881
  241    H6     C  22           H6         C  22  12.718  13.151  10.702
  242   1H5*    A  23          H5*         A  23   6.578  14.815  12.199
  243   2H5*    A  23          H5**        A  23   5.242  13.676  12.017
  244    H4*    A  23           H4*        A  23   5.151  15.768  10.647
  245    H3*    A  23           H3*        A  23   3.945  13.460  10.041
  246    H2*    A  23           H2*        A  23   5.886  12.624   8.747
  247   2HO*    A  23          2HO*        A  23   4.041  14.042   7.084
  248    H1*    A  23           H1*        A  23   5.908  15.497   7.611
  249    H8     A  23           H8         A  23   8.490  12.770   8.638
  250   1H6     A  23          H62         A  23  10.976  13.871   3.044
  251   2H6     A  23          H61         A  23  11.159  12.955   4.536
  252    H2     A  23           H2         A  23   7.367  16.393   3.452
  253   1H5*    A  24          H5*         A  24   2.445  12.304   7.127
  254   2H5*    A  24          H5**        A  24   0.887  13.144   7.050
  255    H4*    A  24           H4*        A  24   0.165  11.475   8.865
  256    H3*    A  24           H3*        A  24   2.426   9.840   7.695
  257    H2*    A  24           H2*        A  24   1.003   7.980   8.150
  258   2HO*    A  24          2HO*        A  24   0.183   8.644  10.178
  259    H1*    A  24           H1*        A  24  -1.337   9.370   7.338
  260    H8     A  24           H8         A  24   0.328  10.080   4.360
  261   1H6     A  24          H61         A  24   0.368   4.077   2.741
  262   2H6     A  24          H62         A  24   0.580   5.715   2.128
  263    H2     A  24           H2         A  24  -0.508   4.293   7.048
  264   1H5*    U  25          H5*         U  25   0.914   8.925  12.366
  265   2H5*    U  25          H5**        U  25   1.923   7.539  12.768
  266    H4*    U  25           H4*        U  25  -0.150   6.917  13.379
  267    H3*    U  25           H3*        U  25   0.149   5.526  10.726
  268    H2*    U  25           H2*        U  25  -1.902   4.465  11.361
  269   2HO*    U  25          2HO*        U  25  -2.055   4.031  13.477
  270    H1*    U  25           H1*        U  25  -2.905   6.850  12.561
  271    H3     U  25           H3         U  25  -6.145   6.278   9.532
  272    H5     U  25           H5         U  25  -2.779   6.892   7.140
  273    H6     U  25           H6         U  25  -1.437   6.891   9.142
  274   1H5*    C  26          H5*         C  26  -0.264   2.981  14.628
  275   2H5*    C  26          H5**        C  26   0.172   1.318  14.203
  276    H4*    C  26           H4*        C  26  -2.031   1.625  15.366
  277    H3*    C  26           H3*        C  26  -1.928   0.078  12.779
  278    H2*    C  26           H2*        C  26  -4.297  -0.170  12.966
  279   2HO*    C  26          2HO*        C  26  -3.761  -0.427  15.470
  280    H1*    C  26           H1*        C  26  -4.764   2.344  14.253
  281   1H4     C  26          H41         C  26  -7.227   3.736   8.724
  282   2H4     C  26          H42         C  26  -5.931   3.385   7.733
  283    H5     C  26           H5         C  26  -3.728   2.542   8.922
  284    H6     C  26           H6         C  26  -2.825   1.897  11.104
  285   1H5*    C  27          H5*         C  27  -4.009  -2.284  15.670
  286   2H5*    C  27          H5**        C  27  -3.561  -3.964  15.428
  287    H4*    C  27           H4*        C  27  -5.968  -3.480  15.406
  288    H3*    C  27           H3*        C  27  -4.868  -4.974  13.035
  289    H2*    C  27           H2*        C  27  -7.158  -5.285  12.452
  290   2HO*    C  27          2HO*        C  27  -7.577  -5.357  14.995
  291    H1*    C  27           H1*        C  27  -7.915  -2.655  13.243
  292   1H4     C  27          H41         C  27  -7.951  -2.884   6.958
  293   2H4     C  27          H42         C  27  -6.404  -2.291   6.726
  294    H5     C  27           H5         C  27  -4.869  -2.103   8.903
  295    H6     C  27           H6         C  27  -4.922  -2.348  11.343
  296   1H5*    A  28          H5*         A  28  -7.631  -7.413  14.330
  297   2H5*    A  28          H5**        A  28  -7.009  -9.064  14.426
  298    H4*    A  28           H4*        A  28  -8.856  -9.176  13.042
  299    H3*    A  28           H3*        A  28  -6.442  -9.149  11.228
  300    H2*    A  28           H2*        A  28  -8.030  -9.806   9.556
  301   2HO*    A  28          2HO*        A  28  -9.683 -11.008  10.306
  302    H1*    A  28           H1*        A  28  -9.876  -7.868  10.446
  303    H8     A  28           H8         A  28  -6.033  -7.361   9.939
  304   1H6     A  28          H62         A  28  -7.824  -4.670   4.615
  305   2H6     A  28          H61         A  28  -6.416  -5.046   5.604
  306    H2     A  28           H2         A  28 -11.422  -6.180   6.665
  307   1H5*    G  29          H5*         G  29  -8.681 -12.885  11.978
  308   2H5*    G  29          H5**        G  29  -8.135 -14.353  11.171
  309    H4*    G  29           H4*        G  29 -10.549 -13.259  10.852
  310    H3*    G  29           H3*        G  29  -9.645 -15.502   9.804
  311    H2*    G  29           H2*        G  29  -8.198 -14.162   8.268
  312   2HO*    G  29          2HO*        G  29 -10.479 -15.400   7.090
  313    H1*    G  29           H1*        G  29 -10.890 -12.798   7.649
  314    H8     G  29           H8         G  29  -7.069 -12.127   7.660
  315    H1     G  29           H1         G  29 -10.355  -9.766   2.679
  316   1H2     G  29          H22         G  29 -12.443 -10.304   2.870
  317   2H2     G  29          H21         G  29 -13.061 -11.233   4.234
  318   1H5*    U  30          H5*         U  30 -12.171 -14.303   6.418
  319   2H5*    U  30          H5**        U  30 -13.635 -15.269   6.653
  320    H4*    U  30           H4*        U  30 -13.055 -15.084   4.311
  321    H3*    U  30           H3*        U  30 -12.904 -17.877   5.461
  322    H2*    U  30           H2*        U  30 -12.683 -18.547   3.174
  323   2HO*    U  30          2HO*        U  30 -13.486 -17.170   1.683
  324    H1*    U  30           H1*        U  30 -10.653 -16.639   2.690
  325    H3     U  30           H3         U  30  -9.192 -21.175   3.600
  326    H5     U  30           H5         U  30  -7.657 -18.443   6.366
  327    H6     U  30           H6         U  30  -9.248 -16.821   5.501
  328   1H5*    G  31          H5*         G  31 -15.554 -16.233   2.013
  329   2H5*    G  31          H5**        G  31 -16.866 -17.369   1.692
  330    H4*    G  31           H4*        G  31 -16.140 -16.760  -0.365
  331    H3*    G  31           H3*        G  31 -14.840 -19.439   0.096
  332    H2*    G  31           H2*        G  31 -14.212 -19.245  -2.205
  333   2HO*    G  31          2HO*        G  31 -15.722 -18.323  -3.436
  334    H1*    G  31           H1*        G  31 -13.689 -16.460  -2.012
  335    H8     G  31           H8         G  31 -11.875 -18.353   0.749
  336    H1     G  31           H1         G  31  -8.885 -18.458  -4.911
  337   1H2     G  31          H21         G  31  -9.892 -17.816  -6.321
  338   2H2     G  31          H22         G  31 -11.436 -17.160  -6.409
  339   1H5*    G  32          H5*         G  32 -17.799 -18.860  -3.014
  340   2H5*    G  32          H5**        G  32 -18.600 -20.324  -3.587
  341    H4*    G  32           H4*        G  32 -17.528 -18.857  -5.338
  342    H3*    G  32           H3*        G  32 -16.917 -21.806  -5.219
  343    H2*    G  32           H2*        G  32 -15.603 -21.463  -7.188
  344   2HO*    G  32          2HO*        G  32 -17.383 -19.740  -7.824
  345    H1*    G  32           H1*        G  32 -14.535 -18.981  -6.376
  346    H8     G  32           H8         G  32 -14.258 -21.297  -3.490
  347    H1     G  32           H1         G  32  -9.806 -22.317  -7.995
  348   1H2     G  32          H21         G  32 -10.129 -21.408  -9.590
  349   2H2     G  32          H22         G  32 -11.354 -20.345 -10.055
  350   1H5*    U  33          H5*         U  33 -18.816 -20.578  -9.095
  351   2H5*    U  33          H5**        U  33 -19.840 -21.920  -9.634
  352    H4*    U  33           H4*        U  33 -18.306 -21.156 -11.371
  353    H3*    U  33           H3*        U  33 -17.960 -24.018 -10.458
  354    H2*    U  33           H2*        U  33 -16.276 -24.201 -12.150
  355   2HO*    U  33          2HO*        U  33 -17.682 -22.627 -13.526
  356    H1*    U  33           H1*        U  33 -15.070 -21.739 -11.592
  357    H3     U  33           H3         U  33 -12.142 -24.987 -10.249
  358    H5     U  33           H5         U  33 -14.793 -24.471  -7.021
  359    H6     U  33           H6         U  33 -16.141 -23.111  -8.462
  360   1H5*    C  34          H5*         C  34 -18.574 -24.312 -14.636
  361   2H5*    C  34          H5**        C  34 -19.442 -25.808 -15.009
  362    H4*    C  34           H4*        C  34 -17.132 -25.568 -15.985
  363    H3*    C  34           H3*        C  34 -17.772 -28.042 -14.362
  364    H2*    C  34           H2*        C  34 -15.580 -28.790 -15.007
  365   2HO*    C  34          2HO*        C  34 -16.045 -27.506 -17.188
  366    H1*    C  34           H1*        C  34 -14.399 -26.223 -14.730
  367   1H4     C  34          H42         C  34 -12.584 -29.621  -9.689
  368   2H4     C  34          H41         C  34 -13.816 -28.837  -8.712
  369    H5     C  34           H5         C  34 -15.503 -27.370  -9.705
  370    H6     C  34           H6         C  34 -16.298 -26.402 -11.801
  371   1H5*    C  35          H5*         C  35 -16.513 -28.782 -18.529
  372   2H5*    C  35          H5**        C  35 -16.983 -30.375 -19.101
  373    H4*    C  35           H4*        C  35 -14.455 -29.466 -18.891
  374    H3*    C  35           H3*        C  35 -15.320 -31.696 -20.029
  375    H2*    C  35           H2*        C  35 -15.721 -32.838 -17.873
  376   2HO*    C  35          2HO*        C  35 -13.384 -34.014 -17.707
  377    H1*    C  35           H1*        C  35 -12.908 -31.834 -17.133
  378   1H4     C  35          H41         C  35 -14.303 -35.262 -12.113
  379   2H4     C  35          H42         C  35 -15.496 -34.274 -11.436
  380    H5     C  35           H5         C  35 -16.320 -32.246 -13.005
  381    H6     C  35           H6         C  35 -15.839 -31.154 -15.143
  382    H3T    C  35           H3T        C  35 -13.086 -32.360 -20.000
  383   1H5*    A  36          H5*         A  36 -10.281 -14.465  -8.085
  384   2H5*    A  36          H5**        A  36 -12.001 -14.846  -8.149
  385    H4*    A  36           H4*        A  36 -12.419 -14.104  -6.104
  386    H3*    A  36           H3*        A  36 -10.431 -11.877  -6.429
  387    H2*    A  36           H2*        A  36 -10.526 -11.644  -4.090
  388   2HO*    A  36          2HO*        A  36 -12.582 -11.888  -3.370
  389    H1*    A  36           H1*        A  36 -10.646 -14.462  -3.623
  390    H8     A  36           H8         A  36  -7.948 -13.788  -6.061
  391   1H6     A  36          H61         A  36  -4.214 -12.594  -1.247
  392   2H6     A  36          H62         A  36  -4.231 -12.874  -2.984
  393    H2     A  36           H2         A  36  -8.340 -12.815   0.274
  394    H5T    A  36           H5T        A  36 -11.837 -12.225  -8.109
  395   1H5*    C  37          H5*         C  37 -14.425 -10.867  -4.779
  396   2H5*    C  37          H5**        C  37 -14.880  -9.202  -5.194
  397    H4*    C  37           H4*        C  37 -15.265  -9.591  -2.853
  398    H3*    C  37           H3*        C  37 -12.939  -7.734  -3.365
  399    H2*    C  37           H2*        C  37 -12.844  -7.428  -1.027
  400   2HO*    C  37          2HO*        C  37 -14.750  -7.368  -0.013
  401    H1*    C  37           H1*        C  37 -13.509 -10.140  -0.462
  402   1H4     C  37          H42         C  37  -7.526  -9.787   1.174
  403   2H4     C  37          H41         C  37  -6.921  -9.736  -0.488
  404    H5     C  37           H5         C  37  -8.500  -9.616  -2.389
  405    H6     C  37           H6         C  37 -10.883  -9.548  -2.975
  406   1H5*    U  38          H5*         U  38 -16.475  -6.345  -1.207
  407   2H5*    U  38          H5**        U  38 -16.701  -4.596  -1.241
  408    H4*    U  38           H4*        U  38 -16.835  -5.661   1.004
  409    H3*    U  38           H3*        U  38 -14.860  -3.411   0.641
  410    H2*    U  38           H2*        U  38 -14.571  -3.538   3.003
  411   2HO*    U  38          2HO*        U  38 -16.223  -4.162   4.226
  412    H1*    U  38           H1*        U  38 -14.689  -6.369   3.043
  413    H3     U  38           H3         U  38 -10.576  -5.133   4.664
  414    H5     U  38           H5         U  38 -10.165  -5.221   0.502
  415    H6     U  38           H6         U  38 -12.554  -5.460   0.335
  416   1H5*    G  39          H5*         G  39 -17.573  -2.674   3.699
  417   2H5*    G  39          H5**        G  39 -18.107  -0.992   3.651
  418    H4*    G  39           H4*        G  39 -17.343  -1.480   5.845
  419    H3*    G  39           H3*        G  39 -15.489   0.346   4.331
  420    H2*    G  39           H2*        G  39 -14.367   0.666   6.384
  421   2HO*    G  39          2HO*        G  39 -15.759   0.753   8.062
  422    H1*    G  39           H1*        G  39 -14.597  -2.032   7.154
  423    H8     G  39           H8         G  39 -13.340  -1.035   3.636
  424    H1     G  39           H1         G  39  -8.910  -1.893   8.176
  425   1H2     G  39          H21         G  39  -9.597  -2.248   9.832
  426   2H2     G  39          H22         G  39 -11.164  -2.405  10.422
  427   1H5*    G  40          H5*         G  40 -17.392   1.842   7.854
  428   2H5*    G  40          H5**        G  40 -17.957   3.500   7.587
  429    H4*    G  40           H4*        G  40 -16.826   3.331   9.721
  430    H3*    G  40           H3*        G  40 -15.503   5.020   7.590
  431    H2*    G  40           H2*        G  40 -13.858   5.603   9.257
  432   2HO*    G  40          2HO*        G  40 -15.840   5.502  10.872
  433    H1*    G  40           H1*        G  40 -13.842   2.973  10.445
  434    H8     G  40           H8         G  40 -13.433   3.377   6.642
  435    H1     G  40           H1         G  40  -8.048   2.695  10.088
  436   1H2     G  40          H22         G  40  -8.473   2.757  12.182
  437   2H2     G  40          H21         G  40 -10.125   2.930  12.748
  438   1H5*    C  41          H5*         C  41 -13.884   7.452   7.682
  439   2H5*    C  41          H5**        C  41 -14.903   7.420   9.139
  440    H4*    C  41           H4*        C  41 -15.793   9.678   8.054
  441    H3*    C  41           H3*        C  41 -13.849   9.639   6.262
  442    H2*    C  41           H2*        C  41 -12.216   8.750   7.963
  443   2HO*    C  41          2HO*        C  41 -11.960  11.585   7.582
  444    H1*    C  41           H1*        C  41 -13.163  11.221   9.473
  445   1H4     C  41          H42         C  41  -9.370   9.452  14.166
  446   2H4     C  41          H41         C  41  -9.741   7.746  13.959
  447    H5     C  41           H5         C  41 -11.204   6.966  12.208
  448    H6     C  41           H6         C  41 -12.602   7.665  10.327
  449   1H5*    U  42          H5*         U  42 -13.414  13.251   4.468
  450   2H5*    U  42          H5**        U  42 -13.711  12.265   3.026
  451    H4*    U  42           H4*        U  42 -12.099  11.457   5.432
  452    H3*    U  42           H3*        U  42 -11.191  12.252   2.654
  453    H2*    U  42           H2*        U  42  -9.449  10.628   2.923
  454   2HO*    U  42          2HO*        U  42  -9.781  11.321   5.507
  455    H1*    U  42           H1*        U  42 -11.080   8.739   4.318
  456    H3     U  42           H3         U  42  -9.784   6.689   0.414
  457    H5     U  42           H5         U  42 -13.082   9.041  -0.613
  458    H6     U  42           H6         U  42 -12.960  10.042   1.572
  459   1H5*    U  43          H5*         U  43  -7.724  11.829   3.736
  460   2H5*    U  43          H5**        U  43  -7.527  13.278   4.728
  461    H4*    U  43           H4*        U  43  -6.035  14.202   2.962
  462    H3*    U  43           H3*        U  43  -6.068  11.358   1.888
  463    H2*    U  43           H2*        U  43  -3.782  11.901   1.177
  464   2HO*    U  43          2HO*        U  43  -2.920  13.987   1.761
  465    H1*    U  43           H1*        U  43  -3.149  12.668   3.728
  466    H3     U  43           H3         U  43  -1.613   8.406   3.170
  467    H5     U  43           H5         U  43  -5.535   7.965   4.574
  468    H6     U  43           H6         U  43  -5.848  10.333   4.249
  469   1H5*    G  44          H5*         G  44  -3.908  13.347  -0.563
  470   2H5*    G  44          H5**        G  44  -4.966  13.708  -1.909
  471    H4*    G  44           H4*        G  44  -3.347  13.389  -3.201
  472    H3*    G  44           H3*        G  44  -3.365  10.443  -2.604
  473    H2*    G  44           H2*        G  44  -1.692  10.428  -4.350
  474   2HO*    G  44          2HO*        G  44  -1.905  11.979  -5.859
  475    H1*    G  44           H1*        G  44  -0.498  12.741  -3.233
  476    H8     G  44           H8         G  44  -1.445   9.965  -0.806
  477    H1     G  44           H1         G  44   4.319   9.352  -3.575
  478   1H2     G  44          H21         G  44   4.623  10.623  -4.943
  479   2H2     G  44          H22         G  44   3.662  11.886  -5.534
  480   1H5*    U  45          H5*         U  45  -4.115  12.228  -6.333
  481   2H5*    U  45          H5**        U  45  -5.028  11.330  -7.555
  482    H4*    U  45           H4*        U  45  -3.019  12.423  -8.466
  483    H3*    U  45           H3*        U  45  -3.233   9.415  -8.627
  484    H2*    U  45           H2*        U  45  -1.185   9.432  -9.794
  485   2HO*    U  45          2HO*        U  45  -2.009  11.684 -10.774
  486    H1*    U  45           H1*        U  45   0.075  11.334  -8.266
  487    H3     U  45           H3         U  45   2.531   7.789  -7.027
  488    H5     U  45           H5         U  45  -1.330   6.788  -5.707
  489    H6     U  45           H6         U  45  -2.129   8.795  -6.720
  490   1H5*    G  46          H5*         G  46  -2.713  10.160 -12.411
  491   2H5*    G  46          H5**        G  46  -3.546   8.993 -13.439
  492    H4*    G  46           H4*        G  46  -1.018   8.900 -13.371
  493    H3*    G  46           H3*        G  46  -2.643   6.398 -13.002
  494    H2*    G  46           H2*        G  46  -0.615   5.227 -12.751
  495   2HO*    G  46          2HO*        G  46   0.765   5.866 -14.333
  496    H1*    G  46           H1*        G  46   0.795   7.385 -11.439
  497    H8     G  46           H8         G  46  -2.446   6.553  -9.797
  498    H1     G  46           H1         G  46   2.576   2.990  -8.011
  499   1H2     G  46          H21         G  46   4.088   3.241  -9.112
  500   2H2     G  46          H22         G  46   4.342   4.220 -10.457
  501   1H5*    G  47          H5*         G  47  -0.117   6.519 -16.736
  502   2H5*    G  47          H5**        G  47  -0.758   5.419 -17.962
  503    H4*    G  47           H4*        G  47   1.623   5.050 -17.433
  504    H3*    G  47           H3*        G  47  -0.233   2.709 -16.941
  505    H2*    G  47           H2*        G  47   1.742   1.466 -16.447
  506   2HO*    G  47          2HO*        G  47   2.920   2.832 -18.196
  507    H1*    G  47           H1*        G  47   2.901   3.488 -14.889
  508    H8     G  47           H8         G  47  -0.872   3.039 -14.423
  509    H1     G  47           H1         G  47   2.811  -0.793 -10.844
  510   1H2     G  47          H22         G  47   4.893  -0.641 -11.381
  511   2H2     G  47          H21         G  47   5.389   0.422 -12.684
  512   1H5*    C  48          H5*         C  48   2.748   1.172 -19.370
  513   2H5*    C  48          H5**        C  48   2.040   0.208 -20.679
  514    H4*    C  48           H4*        C  48   3.675  -1.080 -19.433
  515    H3*    C  48           H3*        C  48   0.828  -2.050 -19.233
  516    H2*    C  48           H2*        C  48   1.642  -3.864 -17.922
  517   2HO*    C  48          2HO*        C  48   3.586  -4.533 -18.720
  518    H1*    C  48           H1*        C  48   3.413  -2.308 -16.396
  519   1H4     C  48          H42         C  48  -1.671  -2.690 -12.702
  520   2H4     C  48          H41         C  48  -2.500  -1.410 -13.590
  521    H5     C  48           H5         C  48  -1.561  -0.450 -15.603
  522    H6     C  48           H6         C  48   0.331  -0.527 -17.129
  523   1H5*    G  49          H5*         G  49   4.162  -4.188 -21.215
  524   2H5*    G  49          H5**        G  49   3.814  -5.624 -22.171
  525    H4*    G  49           H4*        G  49   5.559  -5.489 -20.128
  526    H3*    G  49           H3*        G  49   5.121  -7.489 -21.824
  527    H2*    G  49           H2*        G  49   3.001  -8.139 -20.694
  528   2HO*    G  49          2HO*        G  49   3.973  -9.990 -19.181
  529    H1*    G  49           H1*        G  49   4.753  -7.908 -18.172
  530    H8     G  49           H8         G  49   1.365  -6.329 -18.221
  531    H1     G  49           H1         G  49   1.443 -12.160 -15.523
  532   1H2     G  49          H21         G  49   3.358 -13.146 -15.963
  533   2H2     G  49          H22         G  49   4.603 -12.365 -16.918
  534    H3T    G  49           H3T        G  49   6.309  -8.796 -20.238
  Start of MODEL    7
    1   1H5*    G   1          H5*         G   1  -7.258 -38.656  -7.920
    2   2H5*    G   1          H5**        G   1  -5.679 -37.893  -7.752
    3    H4*    G   1           H4*        G   1  -5.930 -37.995  -9.974
    4    H3*    G   1           H3*        G   1  -5.859 -35.423  -9.012
    5    H2*    G   1           H2*        G   1  -7.959 -34.646  -9.602
    6   2HO*    G   1          2HO*        G   1  -6.359 -34.270 -11.603
    7    H1*    G   1           H1*        G   1  -8.451 -36.597 -11.846
    8    H8     G   1           H8         G   1  -9.755 -36.620  -8.254
    9    H1     G   1           H1         G   1 -13.966 -34.735 -12.675
   10   1H2     G   1          H21         G   1 -13.272 -34.575 -14.386
   11   2H2     G   1          H22         G   1 -11.745 -34.771 -15.044
   12    H5T    G   1           H5T        G   1  -6.575 -36.224  -6.816
   13   1H5*    G   2          H5*         G   2  -4.397 -33.995 -13.152
   14   2H5*    G   2          H5**        G   2  -3.090 -32.958 -12.567
   15    H4*    G   2           H4*        G   2  -4.572 -31.580 -13.758
   16    H3*    G   2           H3*        G   2  -5.019 -31.122 -10.802
   17    H2*    G   2           H2*        G   2  -6.486 -29.370 -11.492
   18   2HO*    G   2          2HO*        G   2  -5.944 -28.307 -13.293
   19    H1*    G   2           H1*        G   2  -7.522 -30.889 -13.653
   20    H8     G   2           H8         G   2  -7.229 -32.318 -10.057
   21    H1     G   2           H1         G   2 -12.905 -29.914 -11.809
   22   1H2     G   2          H22         G   2 -12.763 -29.004 -13.785
   23   2H2     G   2          H21         G   2 -11.242 -28.994 -14.666
   24   1H5*    A   3          H5*         A   3  -3.658 -27.956 -13.422
   25   2H5*    A   3          H5**        A   3  -2.823 -26.621 -12.616
   26    H4*    A   3           H4*        A   3  -4.661 -25.934 -14.161
   27    H3*    A   3           H3*        A   3  -4.661 -25.046 -11.298
   28    H2*    A   3           H2*        A   3  -6.694 -23.923 -11.662
   29   2HO*    A   3          2HO*        A   3  -6.785 -22.821 -13.512
   30    H1*    A   3           H1*        A   3  -7.665 -25.728 -13.634
   31    H8     A   3           H8         A   3  -6.726 -26.825 -10.028
   32   1H6     A   3          H61         A   3 -12.955 -26.830  -9.365
   33   2H6     A   3          H62         A   3 -11.592 -27.180  -8.423
   34    H2     A   3           H2         A   3 -12.033 -25.303 -13.303
   35   1H5*    C   4          H5*         C   4  -4.908 -22.032 -14.338
   36   2H5*    C   4          H5**        C   4  -4.092 -20.529 -13.894
   37    H4*    C   4           H4*        C   4  -6.380 -20.146 -14.639
   38    H3*    C   4           H3*        C   4  -5.723 -19.375 -11.798
   39    H2*    C   4           H2*        C   4  -7.927 -18.427 -11.701
   40   2HO*    C   4          2HO*        C   4  -7.585 -18.082 -14.273
   41    H1*    C   4           H1*        C   4  -9.179 -20.580 -12.902
   42   1H4     C   4          H41         C   4  -9.839 -21.624  -6.820
   43   2H4     C   4          H42         C   4  -8.446 -22.496  -6.494
   44    H5     C   4           H5         C   4  -6.663 -22.537  -8.584
   45    H6     C   4           H6         C   4  -6.429 -21.824 -10.889
   46   1H5*    C   5          H5*         C   5  -7.075 -16.158 -13.847
   47   2H5*    C   5          H5**        C   5  -6.179 -14.634 -13.706
   48    H4*    C   5           H4*        C   5  -8.549 -14.363 -13.089
   49    H3*    C   5           H3*        C   5  -6.376 -13.597 -11.617
   50    H2*    C   5           H2*        C   5  -6.700 -14.636  -9.615
   51   2HO*    C   5          2HO*        C   5  -8.597 -12.658  -9.689
   52    H1*    C   5           H1*        C   5  -9.658 -15.160 -10.234
   53   1H4     C   5          H42         C   5  -8.352 -19.288  -5.485
   54   2H4     C   5          H41         C   5  -6.754 -19.526  -6.148
   55    H5     C   5           H5         C   5  -5.885 -18.403  -8.082
   56    H6     C   5           H6         C   5  -6.386 -16.856  -9.869
   57   1H5*    C   6          H5*         C   6  -7.154 -11.357  -8.445
   58   2H5*    C   6          H5**        C   6  -6.407  -9.831  -8.871
   59    H4*    C   6           H4*        C   6  -5.548 -11.195  -6.872
   60    H3*    C   6           H3*        C   6  -4.348  -9.062  -7.776
   61    H2*    C   6           H2*        C   6  -3.653 -10.441  -9.813
   62   2HO*    C   6          2HO*        C   6  -1.191 -10.755  -9.051
   63    H1*    C   6           H1*        C   6  -2.364 -12.218  -7.661
   64   1H4     C   6          H41         C   6  -0.382 -14.890 -13.161
   65   2H4     C   6          H42         C   6  -2.063 -15.229 -13.581
   66    H5     C   6           H5         C   6  -3.949 -14.442 -12.231
   67    H6     C   6           H6         C   6  -4.483 -13.140 -10.194
   68   1H5*    G   7          H5*         G   7  -0.596 -10.895  -6.363
   69   2H5*    G   7          H5**        G   7   0.127  -9.917  -5.076
   70    H4*    G   7           H4*        G   7   1.737 -10.405  -6.834
   71    H3*    G   7           H3*        G   7   1.056  -7.580  -6.229
   72    H2*    G   7           H2*        G   7   2.025  -6.749  -8.150
   73   2HO*    G   7          2HO*        G   7   4.081  -7.757  -7.839
   74    H1*    G   7           H1*        G   7   1.739  -9.027  -9.853
   75    H8     G   7           H8         G   7  -1.625  -7.870  -8.599
   76    H1     G   7           H1         G   7   0.744  -4.409 -13.455
   77   1H2     G   7          H22         G   7   2.828  -4.915 -13.797
   78   2H2     G   7          H21         G   7   3.662  -6.111 -12.805
   79   1H5*    C   8          H5*         C   8   5.626  -8.559  -6.962
   80   2H5*    C   8          H5**        C   8   6.386  -7.579  -5.698
   81    H4*    C   8           H4*        C   8   7.353  -7.423  -8.039
   82    H3*    C   8           H3*        C   8   6.725  -5.015  -6.353
   83    H2*    C   8           H2*        C   8   7.459  -3.636  -8.135
   84   2HO*    C   8          2HO*        C   8   9.127  -5.510  -8.629
   85    H1*    C   8           H1*        C   8   6.287  -5.115 -10.207
   86   1H4     C   8          H41         C   8   2.426  -0.279  -8.892
   87   2H4     C   8          H42         C   8   1.172  -1.321  -8.375
   88    H5     C   8           H5         C   8   1.782  -3.821  -7.979
   89    H6     C   8           H6         C   8   3.590  -5.427  -8.230
   90   1H5*    C   9          H5*         C   9  10.260  -3.924  -7.887
   91   2H5*    C   9          H5**        C   9  11.249  -3.232  -6.602
   92    H4*    C   9           H4*        C   9  10.803  -1.682  -8.444
   93    H3*    C   9           H3*        C   9   9.951  -0.862  -5.687
   94    H2*    C   9           H2*        C   9   9.180   1.149  -6.598
   95   2HO*    C   9          2HO*        C   9  10.781   1.917  -7.914
   96    H1*    C   9           H1*        C   9   8.396   0.048  -9.138
   97   1H4     C   9          H42         C   9   2.733   1.415  -6.406
   98   2H4     C   9          H41         C   9   3.024   0.099  -5.302
   99    H5     C   9           H5         C   9   5.007  -1.184  -5.154
  100    H6     C   9           H6         C   9   7.228  -1.559  -6.080
  101   1H5*    A  10          H5*         A  10  13.254   1.584  -7.438
  102   2H5*    A  10          H5**        A  10  14.241   2.360  -6.187
  103    H4*    A  10           H4*        A  10  13.379   3.986  -7.771
  104    H3*    A  10           H3*        A  10  12.456   4.266  -4.932
  105    H2*    A  10           H2*        A  10  11.022   6.018  -5.571
  106   2HO*    A  10          2HO*        A  10  12.161   7.433  -6.779
  107    H1*    A  10           H1*        A  10  10.632   5.127  -8.254
  108    H8     A  10           H8         A  10   9.481   2.911  -5.272
  109   1H6     A  10          H61         A  10   3.895   5.188  -6.863
  110   2H6     A  10          H62         A  10   4.514   4.086  -5.747
  111    H2     A  10           H2         A  10   6.828   7.204  -9.254
  112   1H5*    C  11          H5*         C  11  14.386   7.706  -6.762
  113   2H5*    C  11          H5**        C  11  15.292   8.778  -5.683
  114    H4*    C  11           H4*        C  11  13.506   9.855  -7.108
  115    H3*    C  11           H3*        C  11  13.812  10.383  -4.200
  116    H2*    C  11           H2*        C  11  11.661  11.327  -3.996
  117   2HO*    C  11          2HO*        C  11  12.415  12.520  -6.137
  118    H1*    C  11           H1*        C  11  10.419  10.097  -6.247
  119   1H4     C  11          H42         C  11   6.953   7.627  -1.539
  120   2H4     C  11          H41         C  11   8.208   6.456  -1.220
  121    H5     C  11           H5         C  11  10.370   6.468  -2.353
  122    H6     C  11           H6         C  11  11.732   7.638  -3.967
  123   1H5*    U  12          H5*         U  12  12.766  14.346  -5.791
  124   2H5*    U  12          H5**        U  12  14.049  15.404  -5.190
  125    H4*    U  12           H4*        U  12  11.703  16.115  -4.668
  126    H3*    U  12           H3*        U  12  13.862  15.970  -2.624
  127    H2*    U  12           H2*        U  12  12.398  16.370  -0.884
  128   2HO*    U  12          2HO*        U  12  10.886  17.832  -1.148
  129    H1*    U  12           H1*        U  12  10.100  15.048  -1.924
  130    H3     U  12           H3         U  12  11.577  13.361   2.180
  131    H5     U  12           H5         U  12  13.176  10.969  -0.889
  132    H6     U  12           H6         U  12  12.479  12.628  -2.438
  133   1H5*    G  13          H5*         G  13  11.847  19.673  -2.461
  134   2H5*    G  13          H5**        G  13  12.769  21.021  -1.804
  135    H4*    G  13           H4*        G  13  10.654  19.952  -0.636
  136    H3*    G  13           H3*        G  13  12.407  21.861   0.239
  137    H2*    G  13           H2*        G  13  13.611  20.690   1.848
  138   2HO*    G  13          2HO*        G  13  11.446  21.646   2.936
  139    H1*    G  13           H1*        G  13  11.531  18.567   2.369
  140    H8     G  13           H8         G  13  14.345  17.631   0.148
  141    H1     G  13           H1         G  13  15.812  17.047   6.360
  142   1H2     G  13          H21         G  13  14.484  17.908   7.515
  143   2H2     G  13          H22         G  13  13.034  18.688   7.066
  144   1H5*    C  14          H5*         C  14   9.067  22.334   3.648
  145   2H5*    C  14          H5**        C  14   9.005  24.100   3.632
  146    H4*    C  14           H4*        C  14   9.320  23.185   5.851
  147    H3*    C  14           H3*        C  14  11.634  24.898   4.966
  148    H2*    C  14           H2*        C  14  12.432  24.623   7.163
  149   2HO*    C  14          2HO*        C  14  11.044  24.506   8.769
  150    H1*    C  14           H1*        C  14  11.474  21.933   7.347
  151   1H4     C  14          H41         C  14  17.665  21.910   7.664
  152   2H4     C  14          H42         C  14  17.971  21.473   6.053
  153    H5     C  14           H5         C  14  15.863  21.577   4.416
  154    H6     C  14           H6         C  14  13.442  21.967   4.422
  155   1H5*    A  15          H5*         A  15   9.650  26.408   8.680
  156   2H5*    A  15          H5**        A  15  10.144  28.078   8.969
  157    H4*    A  15           H4*        A  15  10.636  26.428  10.795
  158    H3*    A  15           H3*        A  15  12.890  28.170   9.776
  159    H2*    A  15           H2*        A  15  14.194  27.176  11.531
  160   2HO*    A  15          2HO*        A  15  12.162  27.226  12.954
  161    H1*    A  15           H1*        A  15  13.160  24.596  11.199
  162    H8     A  15           H8         A  15  14.245  26.644   8.103
  163   1H6     A  15          H62         A  15  19.597  23.524   8.689
  164   2H6     A  15          H61         A  15  18.701  24.663   7.678
  165    H2     A  15           H2         A  15  17.001  22.477  12.124
  166   1H5*    G  16          H5*         G  16  13.039  28.596  14.297
  167   2H5*    G  16          H5**        G  16  13.301  30.348  14.372
  168    H4*    G  16           H4*        G  16  15.021  29.185  15.576
  169    H3*    G  16           H3*        G  16  16.091  30.456  13.038
  170    H2*    G  16           H2*        G  16  18.246  30.014  14.080
  171   2HO*    G  16          2HO*        G  16  18.236  28.789  16.135
  172    H1*    G  16           H1*        G  16  17.480  27.330  14.462
  173    H8     G  16           H8         G  16  16.053  29.212  11.429
  174    H1     G  16           H1         G  16  21.291  25.717  10.232
  175   1H2     G  16          H22         G  16  22.097  24.919  12.024
  176   2H2     G  16          H21         G  16  21.374  25.213  13.594
  177   1H5*    A  17          H5*         A  17  18.216  33.357  12.188
  178   2H5*    A  17          H5**        A  17  18.373  31.861  13.125
  179    H4*    A  17           H4*        A  17  19.911  34.399  13.284
  180    H3*    A  17           H3*        A  17  20.721  31.486  13.630
  181    H2*    A  17           H2*        A  17  22.474  32.275  15.058
  182   2HO*    A  17          2HO*        A  17  22.617  34.203  13.362
  183    H1*    A  17           H1*        A  17  20.991  34.439  16.155
  184    H8     A  17           H8         A  17  19.063  31.214  16.272
  185   1H6     A  17          H62         A  17  21.351  30.622  22.031
  186   2H6     A  17          H61         A  17  20.194  29.948  20.884
  187    H2     A  17           H2         A  17  23.423  33.988  20.083
  188   1H5*    G  18          H5*         G  18  24.454  29.480  12.622
  189   2H5*    G  18          H5**        G  18  22.757  29.305  13.097
  190    H4*    G  18           H4*        G  18  24.958  30.266  14.926
  191    H3*    G  18           H3*        G  18  23.725  27.520  14.640
  192    H2*    G  18           H2*        G  18  23.935  27.302  17.023
  193   2HO*    G  18          2HO*        G  18  26.070  28.754  16.672
  194    H1*    G  18           H1*        G  18  23.201  29.959  17.587
  195    H8     G  18           H8         G  18  20.664  29.011  15.165
  196    H1     G  18           H1         G  18  19.776  26.106  20.817
  197   1H2     G  18          H21         G  18  21.593  26.289  22.058
  198   2H2     G  18          H22         G  18  23.004  27.140  21.456
  199   1H5*    A  19          H5*         A  19  26.232  26.356  17.439
  200   2H5*    A  19          H5**        A  19  27.081  24.927  16.824
  201    H4*    A  19           H4*        A  19  25.937  24.266  18.772
  202    H3*    A  19           H3*        A  19  24.596  23.205  16.278
  203    H2*    A  19           H2*        A  19  23.092  22.040  17.746
  204   2HO*    A  19          2HO*        A  19  25.083  21.937  19.373
  205    H1*    A  19           H1*        A  19  22.604  24.217  19.375
  206    H8     A  19           H8         A  19  23.152  25.259  15.802
  207   1H6     A  19          H62         A  19  17.059  24.625  14.971
  208   2H6     A  19          H61         A  19  18.554  25.207  14.242
  209    H2     A  19           H2         A  19  18.065  22.995  18.977
  210   1H5*    U  20          H5*         U  20  24.366  20.137  17.638
  211   2H5*    U  20          H5**        U  20  24.703  18.805  16.532
  212    H4*    U  20           H4*        U  20  22.277  19.302  17.156
  213    H3*    U  20           H3*        U  20  23.076  18.875  14.277
  214    H2*    U  20           H2*        U  20  20.714  18.856  13.874
  215   2HO*    U  20          2HO*        U  20  19.419  18.183  15.424
  216    H1*    U  20           H1*        U  20  20.230  21.042  15.577
  217    H3     U  20           H3         U  20  19.215  22.090  11.205
  218    H5     U  20           H5         U  20  23.289  22.909  11.643
  219    H6     U  20           H6         U  20  23.197  21.820  13.817
  220   1H5*    G  21          H5*         G  21  20.513  15.825  16.127
  221   2H5*    G  21          H5**        G  21  20.049  14.484  15.095
  222    H4*    G  21           H4*        G  21  18.403  16.354  16.013
  223    H3*    G  21           H3*        G  21  17.885  14.212  14.431
  224    H2*    G  21           H2*        G  21  17.969  15.335  12.313
  225   2HO*    G  21          2HO*        G  21  15.495  15.277  13.369
  226    H1*    G  21           H1*        G  21  16.885  17.905  13.528
  227    H8     G  21           H8         G  21  20.196  16.988  11.796
  228    H1     G  21           H1         G  21  16.261  20.807   8.452
  229   1H2     G  21          H22         G  21  14.395  21.096   9.509
  230   2H2     G  21          H21         G  21  14.122  20.299  11.048
  231   1H5*    C  22          H5*         C  22  13.757  16.207  14.768
  232   2H5*    C  22          H5**        C  22  12.705  14.875  15.260
  233    H4*    C  22           H4*        C  22  11.665  15.878  13.440
  234    H3*    C  22           H3*        C  22  12.924  13.303  12.533
  235    H2*    C  22           H2*        C  22  11.912  13.736  10.415
  236   2HO*    C  22          2HO*        C  22   9.925  14.585  10.539
  237    H1*    C  22           H1*        C  22  12.268  16.560  10.607
  238   1H4     C  22          H42         C  22  16.679  15.272   6.216
  239   2H4     C  22          H41         C  22  17.500  14.185   7.315
  240    H5     C  22           H5         C  22  16.721  13.645   9.511
  241    H6     C  22           H6         C  22  14.979  14.050  11.151
  242   1H5*    A  23          H5*         A  23   8.694  13.966  12.463
  243   2H5*    A  23          H5**        A  23   7.678  12.534  12.638
  244    H4*    A  23           H4*        A  23   7.032  14.107  10.838
  245    H3*    A  23           H3*        A  23   6.602  11.454  10.820
  246    H2*    A  23           H2*        A  23   8.677  10.991   9.604
  247   2HO*    A  23          2HO*        A  23   6.360  10.730   8.284
  248    H1*    A  23           H1*        A  23   7.838  13.428   7.904
  249    H8     A  23           H8         A  23  11.121  11.871   9.293
  250   1H6     A  23          H62         A  23  13.202  12.459   3.465
  251   2H6     A  23          H61         A  23  13.643  11.984   5.105
  252    H2     A  23           H2         A  23   8.995  13.802   3.543
  253   1H5*    A  24          H5*         A  24   5.257   9.237   7.720
  254   2H5*    A  24          H5**        A  24   4.175  10.575   7.325
  255    H4*    A  24           H4*        A  24   2.684   9.083   9.095
  256    H3*    A  24           H3*        A  24   4.202   7.107   7.350
  257    H2*    A  24           H2*        A  24   2.199   5.842   7.388
  258   2HO*    A  24          2HO*        A  24   1.354   6.179   9.422
  259    H1*    A  24           H1*        A  24   0.589   8.095   6.910
  260    H8     A  24           H8         A  24   2.350   9.386   4.473
  261   1H6     A  24          H61         A  24   1.652   4.589   0.650
  262   2H6     A  24          H62         A  24   2.073   6.295   0.761
  263    H2     A  24           H2         A  24   0.742   3.184   4.756
  264   1H5*    U  25          H5*         U  25   4.418   2.697   9.518
  265   2H5*    U  25          H5**        U  25   3.129   2.822   8.344
  266    H4*    U  25           H4*        U  25   3.160   4.004  11.093
  267    H3*    U  25           H3*        U  25   1.509   1.876   9.721
  268    H2*    U  25           H2*        U  25  -0.304   2.488  11.112
  269   2HO*    U  25          2HO*        U  25   1.444   2.812  12.906
  270    H1*    U  25           H1*        U  25   0.326   5.277  11.080
  271    H3     U  25           H3         U  25  -3.939   4.530   9.295
  272    H5     U  25           H5         U  25  -1.232   4.793   6.119
  273    H6     U  25           H6         U  25   0.538   4.624   7.699
  274   1H5*    C  26          H5*         C  26   1.383   0.263  13.910
  275   2H5*    C  26          H5**        C  26   1.377  -1.478  13.610
  276    H4*    C  26           H4*        C  26  -0.579  -0.762  14.850
  277    H3*    C  26           H3*        C  26  -1.243  -1.873  12.122
  278    H2*    C  26           H2*        C  26  -3.529  -1.625  12.783
  279   2HO*    C  26          2HO*        C  26  -2.699  -2.272  15.112
  280    H1*    C  26           H1*        C  26  -3.056   0.808  14.205
  281   1H4     C  26          H41         C  26  -6.008   2.930   9.190
  282   2H4     C  26          H42         C  26  -4.866   2.567   8.005
  283    H5     C  26           H5         C  26  -2.672   1.364   8.839
  284    H6     C  26           H6         C  26  -1.633   0.380  10.832
  285   1H5*    C  27          H5*         C  27  -3.238  -4.084  15.369
  286   2H5*    C  27          H5**        C  27  -3.319  -5.793  14.935
  287    H4*    C  27           H4*        C  27  -5.462  -4.657  15.683
  288    H3*    C  27           H3*        C  27  -5.380  -6.355  13.189
  289    H2*    C  27           H2*        C  27  -7.745  -6.012  13.070
  290   2HO*    C  27          2HO*        C  27  -7.726  -5.974  15.604
  291    H1*    C  27           H1*        C  27  -7.614  -3.265  13.639
  292   1H4     C  27          H41         C  27  -7.966  -3.971   7.401
  293   2H4     C  27          H42         C  27  -6.330  -3.714   7.092
  294    H5     C  27           H5         C  27  -4.726  -3.704   9.212
  295    H6     C  27           H6         C  27  -4.749  -3.769  11.646
  296   1H5*    A  28          H5*         A  28  -8.527  -8.002  14.652
  297   2H5*    A  28          H5**        A  28  -8.223  -9.736  14.845
  298    H4*    A  28           H4*        A  28 -10.130  -9.562  13.507
  299    H3*    A  28           H3*        A  28  -7.783 -10.171  11.706
  300    H2*    A  28           H2*        A  28  -9.440 -10.535  10.037
  301   2HO*    A  28          2HO*        A  28 -11.335 -11.305  10.725
  302    H1*    A  28           H1*        A  28 -10.872  -8.217  10.765
  303    H8     A  28           H8         A  28  -7.007  -8.603  10.412
  304   1H6     A  28          H62         A  28  -7.857  -5.844   4.940
  305   2H6     A  28          H61         A  28  -6.656  -6.501   6.052
  306    H2     A  28           H2         A  28 -11.838  -6.360   6.826
  307   1H5*    G  29          H5*         G  29 -10.807 -13.303  12.244
  308   2H5*    G  29          H5**        G  29 -10.371 -14.901  11.634
  309    H4*    G  29           H4*        G  29 -12.510 -13.685  10.809
  310    H3*    G  29           H3*        G  29 -11.435 -15.873   9.732
  311    H2*    G  29           H2*        G  29  -9.776 -14.376   8.617
  312   2HO*    G  29          2HO*        G  29 -11.823 -15.390   6.855
  313    H1*    G  29           H1*        G  29 -12.390 -12.965   7.836
  314    H8     G  29           H8         G  29  -8.538 -12.519   7.939
  315    H1     G  29           H1         G  29 -11.585  -9.711   3.049
  316   1H2     G  29          H22         G  29 -13.720 -10.065   3.197
  317   2H2     G  29          H21         G  29 -14.419 -11.002   4.512
  318   1H5*    U  30          H5*         U  30 -13.161 -13.970   6.265
  319   2H5*    U  30          H5**        U  30 -14.749 -14.711   6.096
  320    H4*    U  30           H4*        U  30 -13.726 -14.006   3.971
  321    H3*    U  30           H3*        U  30 -14.672 -16.799   4.441
  322    H2*    U  30           H2*        U  30 -14.110 -17.349   2.227
  323   2HO*    U  30          2HO*        U  30 -14.195 -15.759   0.754
  324    H1*    U  30           H1*        U  30 -11.576 -16.112   2.282
  325    H3     U  30           H3         U  30 -11.632 -20.917   2.870
  326    H5     U  30           H5         U  30 -10.013 -18.957   6.192
  327    H6     U  30           H6         U  30 -10.872 -16.887   5.293
  328   1H5*    G  31          H5*         G  31 -16.025 -14.684   0.927
  329   2H5*    G  31          H5**        G  31 -17.668 -15.173   0.520
  330    H4*    G  31           H4*        G  31 -16.914 -15.674  -1.415
  331    H3*    G  31           H3*        G  31 -15.657 -18.108  -0.178
  332    H2*    G  31           H2*        G  31 -15.057 -18.619  -2.420
  333   2HO*    G  31          2HO*        G  31 -16.614 -18.075  -3.838
  334    H1*    G  31           H1*        G  31 -14.544 -15.881  -3.008
  335    H8     G  31           H8         G  31 -12.683 -17.415   0.018
  336    H1     G  31           H1         G  31  -9.890 -18.142  -5.707
  337   1H2     G  31          H21         G  31 -10.956 -17.599  -7.152
  338   2H2     G  31          H22         G  31 -12.488 -16.899  -7.194
  339   1H5*    G  32          H5*         G  32 -18.714 -18.385  -3.222
  340   2H5*    G  32          H5**        G  32 -19.525 -19.941  -3.396
  341    H4*    G  32           H4*        G  32 -18.572 -18.903  -5.494
  342    H3*    G  32           H3*        G  32 -17.892 -21.750  -4.787
  343    H2*    G  32           H2*        G  32 -16.755 -21.837  -6.862
  344   2HO*    G  32          2HO*        G  32 -17.826 -20.810  -8.453
  345    H1*    G  32           H1*        G  32 -15.742 -19.197  -6.716
  346    H8     G  32           H8         G  32 -15.148 -21.091  -3.531
  347    H1     G  32           H1         G  32 -10.910 -22.375  -8.174
  348   1H2     G  32          H21         G  32 -11.386 -21.663  -9.845
  349   2H2     G  32          H22         G  32 -12.708 -20.719 -10.320
  350   1H5*    U  33          H5*         U  33 -20.054 -20.876  -8.657
  351   2H5*    U  33          H5**        U  33 -21.025 -22.294  -9.096
  352    H4*    U  33           H4*        U  33 -19.628 -21.442 -10.940
  353    H3*    U  33           H3*        U  33 -19.167 -24.293 -10.041
  354    H2*    U  33           H2*        U  33 -17.613 -24.456 -11.857
  355   2HO*    U  33          2HO*        U  33 -19.128 -22.907 -13.134
  356    H1*    U  33           H1*        U  33 -16.413 -21.976 -11.383
  357    H3     U  33           H3         U  33 -13.313 -25.140 -10.255
  358    H5     U  33           H5         U  33 -15.755 -24.719  -6.854
  359    H6     U  33           H6         U  33 -17.236 -23.391  -8.191
  360   1H5*    C  34          H5*         C  34 -19.906 -24.576 -14.162
  361   2H5*    C  34          H5**        C  34 -20.832 -26.047 -14.495
  362    H4*    C  34           H4*        C  34 -18.573 -25.889 -15.595
  363    H3*    C  34           H3*        C  34 -19.234 -28.288 -13.894
  364    H2*    C  34           H2*        C  34 -17.122 -29.151 -14.465
  365   2HO*    C  34          2HO*        C  34 -16.406 -28.825 -16.448
  366    H1*    C  34           H1*        C  34 -15.819 -26.606 -14.496
  367   1H4     C  34          H42         C  34 -13.592 -29.860  -9.557
  368   2H4     C  34          H41         C  34 -14.741 -29.073  -8.483
  369    H5     C  34           H5         C  34 -16.523 -27.624  -9.358
  370    H6     C  34           H6         C  34 -17.492 -26.693 -11.405
  371   1H5*    C  35          H5*         C  35 -18.224 -28.922 -18.192
  372   2H5*    C  35          H5**        C  35 -18.629 -30.525 -18.797
  373    H4*    C  35           H4*        C  35 -16.161 -29.452 -18.737
  374    H3*    C  35           H3*        C  35 -16.934 -31.707 -19.878
  375    H2*    C  35           H2*        C  35 -17.132 -32.916 -17.729
  376   2HO*    C  35          2HO*        C  35 -14.725 -33.951 -17.733
  377    H1*    C  35           H1*        C  35 -14.343 -31.764 -17.138
  378   1H4     C  35          H41         C  35 -15.234 -35.407 -12.140
  379   2H4     C  35          H42         C  35 -16.449 -34.522 -11.378
  380    H5     C  35           H5         C  35 -17.486 -32.510 -12.838
  381    H6     C  35           H6         C  35 -17.197 -31.332 -14.962
  382    H3T    C  35           H3T        C  35 -14.670 -32.221 -20.011
  383   1H5*    A  36          H5*         A  36 -11.381 -13.986  -7.925
  384   2H5*    A  36          H5**        A  36 -13.102 -14.352  -7.752
  385    H4*    A  36           H4*        A  36 -13.349 -13.106  -5.953
  386    H3*    A  36           H3*        A  36 -11.401 -11.034  -6.997
  387    H2*    A  36           H2*        A  36 -11.683 -10.104  -4.818
  388   2HO*    A  36          2HO*        A  36 -13.577 -10.628  -3.804
  389    H1*    A  36           H1*        A  36 -11.066 -12.588  -3.693
  390    H8     A  36           H8         A  36  -8.654 -13.408  -5.934
  391   1H6     A  36          H61         A  36  -5.174  -8.465  -4.428
  392   2H6     A  36          H62         A  36  -5.116 -10.030  -5.201
  393    H2     A  36           H2         A  36  -9.252  -7.707  -2.984
  394    H5T    A  36           H5T        A  36 -12.976 -11.815  -8.402
  395   1H5*    C  37          H5*         C  37 -15.284  -9.949  -4.944
  396   2H5*    C  37          H5**        C  37 -15.668  -8.260  -5.276
  397    H4*    C  37           H4*        C  37 -15.970  -8.366  -3.051
  398    H3*    C  37           H3*        C  37 -13.142  -7.375  -3.254
  399    H2*    C  37           H2*        C  37 -13.268  -7.101  -0.907
  400   2HO*    C  37          2HO*        C  37 -15.164  -6.508  -0.069
  401    H1*    C  37           H1*        C  37 -14.836  -9.434  -0.554
  402   1H4     C  37          H42         C  37  -9.259 -10.919   1.909
  403   2H4     C  37          H41         C  37  -8.567 -11.303   0.330
  404    H5     C  37           H5         C  37  -9.814 -10.893  -1.720
  405    H6     C  37           H6         C  37 -11.933 -10.036  -2.615
  406   1H5*    U  38          H5*         U  38 -16.197  -4.932  -1.445
  407   2H5*    U  38          H5**        U  38 -15.848  -3.205  -1.398
  408    H4*    U  38           H4*        U  38 -16.524  -4.289   0.770
  409    H3*    U  38           H3*        U  38 -14.042  -2.589   0.641
  410    H2*    U  38           H2*        U  38 -13.863  -2.908   2.983
  411   2HO*    U  38          2HO*        U  38 -15.790  -2.797   3.961
  412    H1*    U  38           H1*        U  38 -14.799  -5.600   2.934
  413    H3     U  38           H3         U  38 -10.567  -5.422   4.817
  414    H5     U  38           H5         U  38 -10.039  -5.944   0.691
  415    H6     U  38           H6         U  38 -12.367  -5.482   0.401
  416   1H5*    G  39          H5*         G  39 -16.996  -1.248   3.638
  417   2H5*    G  39          H5**        G  39 -16.957   0.520   3.642
  418    H4*    G  39           H4*        G  39 -16.695  -0.497   5.883
  419    H3*    G  39           H3*        G  39 -14.551   1.341   4.852
  420    H2*    G  39           H2*        G  39 -13.413   1.055   6.889
  421   2HO*    G  39          2HO*        G  39 -14.873   1.223   8.513
  422    H1*    G  39           H1*        G  39 -14.179  -1.659   7.283
  423    H8     G  39           H8         G  39 -12.554  -0.647   3.958
  424    H1     G  39           H1         G  39  -8.594  -2.658   8.561
  425   1H2     G  39          H21         G  39  -9.418  -2.937  10.182
  426   2H2     G  39          H22         G  39 -10.998  -2.792  10.726
  427   1H5*    G  40          H5*         G  40 -16.354   2.477   8.834
  428   2H5*    G  40          H5**        G  40 -16.539   4.239   8.772
  429    H4*    G  40           H4*        G  40 -15.459   3.463  10.847
  430    H3*    G  40           H3*        G  40 -13.981   5.342   9.013
  431    H2*    G  40           H2*        G  40 -12.141   5.282  10.524
  432   2HO*    G  40          2HO*        G  40 -14.011   5.209  12.318
  433    H1*    G  40           H1*        G  40 -12.516   2.527  11.318
  434    H8     G  40           H8         G  40 -12.285   3.442   7.610
  435    H1     G  40           H1         G  40  -6.782   1.638  10.406
  436   1H2     G  40          H22         G  40  -7.016   1.446  12.521
  437   2H2     G  40          H21         G  40  -8.570   1.734  13.281
  438   1H5*    C  41          H5*         C  41 -11.950   7.244   9.600
  439   2H5*    C  41          H5**        C  41 -12.898   7.338  11.094
  440    H4*    C  41           H4*        C  41 -13.143   9.862  10.370
  441    H3*    C  41           H3*        C  41 -11.501   9.544   8.332
  442    H2*    C  41           H2*        C  41  -9.988   8.035   9.667
  443   2HO*    C  41          2HO*        C  41  -9.112  10.684   9.216
  444    H1*    C  41           H1*        C  41  -9.977  10.391  11.610
  445   1H4     C  41          H42         C  41  -6.464   6.701  15.290
  446   2H4     C  41          H41         C  41  -7.488   5.294  15.031
  447    H5     C  41           H5         C  41  -9.386   5.365  13.529
  448    H6     C  41           H6         C  41 -10.649   6.804  12.002
  449   1H5*    U  42          H5*         U  42 -10.107  13.365   6.951
  450   2H5*    U  42          H5**        U  42 -10.642  12.688   5.415
  451    H4*    U  42           H4*        U  42  -8.541  11.762   7.235
  452    H3*    U  42           H3*        U  42  -8.955  11.670   4.239
  453    H2*    U  42           H2*        U  42  -7.383   9.865   4.197
  454   2HO*    U  42          2HO*        U  42  -6.381  10.888   6.340
  455    H1*    U  42           H1*        U  42  -8.736   8.387   6.059
  456    H3     U  42           H3         U  42  -9.827   7.508   1.528
  457    H5     U  42           H5         U  42 -12.983   9.635   3.257
  458    H6     U  42           H6         U  42 -11.566  10.086   5.143
  459   1H5*    U  43          H5*         U  43  -5.663  10.367   2.653
  460   2H5*    U  43          H5**        U  43  -5.563  11.080   4.263
  461    H4*    U  43           H4*        U  43  -3.889  12.704   3.372
  462    H3*    U  43           H3*        U  43  -3.991  10.924   0.937
  463    H2*    U  43           H2*        U  43  -1.557  10.919   0.904
  464   2HO*    U  43          2HO*        U  43  -1.829  13.241   2.027
  465    H1*    U  43           H1*        U  43  -1.250  10.367   3.581
  466    H3     U  43           H3         U  43  -0.734   6.516   0.972
  467    H5     U  43           H5         U  43  -4.550   6.373   2.671
  468    H6     U  43           H6         U  43  -4.265   8.664   3.337
  469   1H5*    G  44          H5*         G  44  -1.184  12.836  -0.152
  470   2H5*    G  44          H5**        G  44  -1.673  14.219  -1.115
  471    H4*    G  44           H4*        G  44  -0.434  13.697  -2.796
  472    H3*    G  44           H3*        G  44  -1.088  10.742  -2.652
  473    H2*    G  44           H2*        G  44   0.719  10.594  -4.287
  474   2HO*    G  44          2HO*        G  44  -0.036  12.951  -5.003
  475    H1*    G  44           H1*        G  44   2.267  12.459  -2.852
  476    H8     G  44           H8         G  44   0.650   9.761  -0.716
  477    H1     G  44           H1         G  44   6.288   8.169  -3.322
  478   1H2     G  44          H21         G  44   6.917   9.459  -4.601
  479   2H2     G  44          H22         G  44   6.246  10.929  -5.097
  480   1H5*    U  45          H5*         U  45  -1.030  12.937  -6.390
  481   2H5*    U  45          H5**        U  45  -2.103  12.301  -7.646
  482    H4*    U  45           H4*        U  45   0.135  12.848  -8.503
  483    H3*    U  45           H3*        U  45  -0.800   9.980  -8.656
  484    H2*    U  45           H2*        U  45   1.215   9.483  -9.770
  485   2HO*    U  45          2HO*        U  45   0.984  11.834 -10.806
  486    H1*    U  45           H1*        U  45   2.858  11.068  -8.225
  487    H3     U  45           H3         U  45   4.423   7.073  -6.896
  488    H5     U  45           H5         U  45   0.416   7.000  -5.652
  489    H6     U  45           H6         U  45   0.111   9.123  -6.704
  490   1H5*    G  46          H5*         G  46  -0.010  10.497 -12.417
  491   2H5*    G  46          H5**        G  46  -1.096   9.568 -13.451
  492    H4*    G  46           H4*        G  46   1.307   8.823 -13.350
  493    H3*    G  46           H3*        G  46  -0.886   6.812 -12.901
  494    H2*    G  46           H2*        G  46   0.831   5.187 -12.687
  495   2HO*    G  46          2HO*        G  46   2.298   5.531 -14.294
  496    H1*    G  46           H1*        G  46   2.687   6.971 -11.389
  497    H8     G  46           H8         G  46  -0.653   6.945  -9.728
  498    H1     G  46           H1         G  46   3.456   2.370  -7.922
  499   1H2     G  46          H21         G  46   4.967   2.244  -9.042
  500   2H2     G  46          H22         G  46   5.419   3.142 -10.396
  501   1H5*    G  47          H5*         G  47   1.525   6.468 -16.516
  502   2H5*    G  47          H5**        G  47   0.771   5.636 -17.883
  503    H4*    G  47           H4*        G  47   2.931   4.672 -17.314
  504    H3*    G  47           H3*        G  47   0.553   2.842 -16.937
  505    H2*    G  47           H2*        G  47   2.126   1.136 -16.385
  506   2HO*    G  47          2HO*        G  47   3.643   2.225 -18.108
  507    H1*    G  47           H1*        G  47   3.797   2.809 -14.863
  508    H8     G  47           H8         G  47   0.000   3.113 -14.334
  509    H1     G  47           H1         G  47   3.075  -1.063 -10.549
  510   1H2     G  47          H22         G  47   5.147  -1.261 -11.129
  511   2H2     G  47          H21         G  47   5.759  -0.365 -12.506
  512   1H5*    C  48          H5*         C  48   3.223   0.932 -19.835
  513   2H5*    C  48          H5**        C  48   2.240   0.178 -21.104
  514    H4*    C  48           H4*        C  48   3.817  -1.388 -20.038
  515    H3*    C  48           H3*        C  48   0.877  -2.017 -19.859
  516    H2*    C  48           H2*        C  48   1.436  -3.968 -18.618
  517   2HO*    C  48          2HO*        C  48   3.255  -4.651 -19.864
  518    H1*    C  48           H1*        C  48   3.509  -2.789 -17.108
  519   1H4     C  48          H42         C  48  -1.273  -2.623 -13.019
  520   2H4     C  48          H41         C  48  -2.042  -1.267 -13.839
  521    H5     C  48           H5         C  48  -1.168  -0.394 -15.938
  522    H6     C  48           H6         C  48   0.585  -0.663 -17.604
  523   1H5*    G  49          H5*         G  49   4.188  -4.468 -22.033
  524   2H5*    G  49          H5**        G  49   3.562  -5.818 -22.979
  525    H4*    G  49           H4*        G  49   5.532  -5.965 -21.129
  526    H3*    G  49           H3*        G  49   4.767  -7.842 -22.819
  527    H2*    G  49           H2*        G  49   2.611  -8.224 -21.629
  528   2HO*    G  49          2HO*        G  49   3.268 -10.244 -20.236
  529    H1*    G  49           H1*        G  49   4.393  -8.413 -19.122
  530    H8     G  49           H8         G  49   1.447  -6.147 -19.107
  531    H1     G  49           H1         G  49   0.139 -11.989 -16.783
  532   1H2     G  49          H21         G  49   1.787 -13.363 -17.261
  533   2H2     G  49          H22         G  49   3.199 -12.828 -18.150
  534    H3T    G  49           H3T        G  49   5.769  -9.361 -21.237
  Start of MODEL    8
    1   1H5*    G   1          H5*         G   1  -5.146 -38.640  -7.497
    2   2H5*    G   1          H5**        G   1  -3.623 -37.752  -7.475
    3    H4*    G   1           H4*        G   1  -4.006 -38.113  -9.671
    4    H3*    G   1           H3*        G   1  -3.934 -35.467  -8.919
    5    H2*    G   1           H2*        G   1  -6.070 -34.780  -9.460
    6   2HO*    G   1          2HO*        G   1  -4.622 -34.402 -11.507
    7    H1*    G   1           H1*        G   1  -6.617 -36.926 -11.510
    8    H8     G   1           H8         G   1  -7.817 -36.606  -7.891
    9    H1     G   1           H1         G   1 -12.185 -35.187 -12.337
   10   1H2     G   1          H21         G   1 -11.527 -35.201 -14.082
   11   2H2     G   1          H22         G   1 -10.019 -35.455 -14.765
   12    H5T    G   1           H5T        G   1  -4.604 -36.191  -6.491
   13   1H5*    G   2          H5*         G   2  -2.840 -34.201 -13.158
   14   2H5*    G   2          H5**        G   2  -1.447 -33.201 -12.720
   15    H4*    G   2           H4*        G   2  -2.957 -31.764 -13.767
   16    H3*    G   2           H3*        G   2  -3.140 -31.305 -10.786
   17    H2*    G   2           H2*        G   2  -4.694 -29.598 -11.277
   18   2HO*    G   2          2HO*        G   2  -4.147 -28.406 -13.006
   19    H1*    G   2           H1*        G   2  -5.841 -30.992 -13.490
   20    H8     G   2           H8         G   2  -5.485 -32.464  -9.916
   21    H1     G   2           H1         G   2 -11.254 -30.275 -11.677
   22   1H2     G   2          H22         G   2 -11.108 -29.343 -13.674
   23   2H2     G   2          H21         G   2  -9.570 -29.279 -14.523
   24   1H5*    A   3          H5*         A   3  -1.809 -27.739 -13.440
   25   2H5*    A   3          H5**        A   3  -1.063 -26.535 -12.381
   26    H4*    A   3           H4*        A   3  -2.903 -25.721 -13.904
   27    H3*    A   3           H3*        A   3  -2.979 -25.110 -10.961
   28    H2*    A   3           H2*        A   3  -5.049 -24.021 -11.298
   29   2HO*    A   3          2HO*        A   3  -4.399 -22.808 -13.147
   30    H1*    A   3           H1*        A   3  -5.929 -25.673 -13.430
   31    H8     A   3           H8         A   3  -4.995 -27.362 -10.098
   32   1H6     A   3          H61         A   3 -11.172 -26.979  -9.082
   33   2H6     A   3          H62         A   3  -9.848 -27.618  -8.295
   34    H2     A   3           H2         A   3 -10.279 -24.806 -12.703
   35   1H5*    C   4          H5*         C   4  -3.724 -21.331 -13.925
   36   2H5*    C   4          H5**        C   4  -2.911 -20.110 -12.942
   37    H4*    C   4           H4*        C   4  -5.193 -19.521 -13.753
   38    H3*    C   4           H3*        C   4  -4.659 -19.372 -10.783
   39    H2*    C   4           H2*        C   4  -6.767 -18.198 -10.704
   40   2HO*    C   4          2HO*        C   4  -6.328 -17.437 -13.103
   41    H1*    C   4           H1*        C   4  -8.044 -20.171 -12.130
   42   1H4     C   4          H41         C   4  -8.451 -21.539  -6.035
   43   2H4     C   4          H42         C   4  -7.201 -22.667  -5.964
   44    H5     C   4           H5         C   4  -5.643 -22.792  -8.153
   45    H6     C   4           H6         C   4  -5.456 -21.923 -10.421
   46   1H5*    C   5          H5*         C   5  -5.907 -15.903 -12.166
   47   2H5*    C   5          H5**        C   5  -5.071 -14.414 -11.721
   48    H4*    C   5           H4*        C   5  -7.521 -14.349 -11.331
   49    H3*    C   5           H3*        C   5  -5.528 -13.496  -9.674
   50    H2*    C   5           H2*        C   5  -5.972 -14.642  -7.709
   51   2HO*    C   5          2HO*        C   5  -7.866 -12.708  -7.950
   52    H1*    C   5           H1*        C   5  -8.819 -15.294  -8.619
   53   1H4     C   5          H42         C   5  -7.622 -19.604  -3.955
   54   2H4     C   5          H41         C   5  -6.050 -19.855  -4.658
   55    H5     C   5           H5         C   5  -5.168 -18.699  -6.537
   56    H6     C   5           H6         C   5  -5.609 -17.043  -8.248
   57   1H5*    C   6          H5*         C   6  -6.525 -11.601  -6.479
   58   2H5*    C   6          H5**        C   6  -6.103  -9.944  -6.851
   59    H4*    C   6           H4*        C   6  -5.009 -10.941  -4.889
   60    H3*    C   6           H3*        C   6  -3.977  -8.880  -6.138
   61    H2*    C   6           H2*        C   6  -3.085 -10.429  -7.894
   62   2HO*    C   6          2HO*        C   6  -0.652 -10.494  -6.785
   63    H1*    C   6           H1*        C   6  -1.787 -11.850  -5.477
   64   1H4     C   6          H41         C   6   0.714 -14.792 -10.587
   65   2H4     C   6          H42         C   6  -0.911 -15.151 -11.183
   66    H5     C   6           H5         C   6  -2.950 -14.347 -10.070
   67    H6     C   6           H6         C   6  -3.714 -13.018  -8.157
   68   1H5*    G   7          H5*         G   7  -0.043  -9.766  -4.640
   69   2H5*    G   7          H5**        G   7   0.474  -8.470  -3.556
   70    H4*    G   7           H4*        G   7   2.102  -8.931  -5.312
   71    H3*    G   7           H3*        G   7   0.974  -6.178  -5.071
   72    H2*    G   7           H2*        G   7   2.123  -5.508  -7.031
   73   2HO*    G   7          2HO*        G   7   3.896  -7.304  -6.221
   74    H1*    G   7           H1*        G   7   1.763  -7.812  -8.530
   75    H8     G   7           H8         G   7  -1.635  -7.391  -7.212
   76    H1     G   7           H1         G   7  -0.063  -2.936 -11.572
   77   1H2     G   7          H22         G   7   2.123  -2.979 -11.891
   78   2H2     G   7          H21         G   7   3.148  -4.097 -11.000
   79   1H5*    C   8          H5*         C   8   5.536  -6.365  -5.559
   80   2H5*    C   8          H5**        C   8   6.123  -5.176  -4.394
   81    H4*    C   8           H4*        C   8   7.154  -5.061  -6.640
   82    H3*    C   8           H3*        C   8   5.897  -2.566  -5.496
   83    H2*    C   8           H2*        C   8   6.771  -1.454  -7.443
   84   2HO*    C   8          2HO*        C   8   8.645  -3.145  -7.399
   85    H1*    C   8           H1*        C   8   5.793  -3.365  -9.234
   86   1H4     C   8          H41         C   8   1.247   1.006  -8.359
   87   2H4     C   8          H42         C   8   0.172  -0.142  -7.723
   88    H5     C   8           H5         C   8   1.153  -2.489  -7.094
   89    H6     C   8           H6         C   8   3.179  -3.822  -7.213
   90   1H5*    C   9          H5*         C   9   9.571  -1.353  -6.921
   91   2H5*    C   9          H5**        C   9  10.308  -0.240  -5.769
   92    H4*    C   9           H4*        C   9   9.997   0.639  -8.076
   93    H3*    C   9           H3*        C   9   8.892   2.222  -5.756
   94    H2*    C   9           H2*        C   9   8.251   3.867  -7.380
   95   2HO*    C   9          2HO*        C   9  10.404   3.054  -8.595
   96    H1*    C   9           H1*        C   9   7.452   1.997  -9.356
   97   1H4     C   9          H42         C   9   1.827   3.781  -6.795
   98   2H4     C   9          H41         C   9   2.176   2.715  -5.463
   99    H5     C   9           H5         C   9   4.190   1.529  -5.127
  100    H6     C   9           H6         C   9   6.404   1.056  -6.015
  101   1H5*    A  10          H5*         A  10  12.112   4.668  -7.629
  102   2H5*    A  10          H5**        A  10  12.881   5.659  -6.381
  103    H4*    A  10           H4*        A  10  11.954   6.980  -8.242
  104    H3*    A  10           H3*        A  10  10.826   7.525  -5.505
  105    H2*    A  10           H2*        A  10   9.424   9.131  -6.479
  106   2HO*    A  10          2HO*        A  10  10.431  10.386  -7.906
  107    H1*    A  10           H1*        A  10   9.103   7.764  -8.963
  108    H8     A  10           H8         A  10   8.222   5.993  -5.643
  109   1H6     A  10          H61         A  10   2.482   7.964  -7.160
  110   2H6     A  10          H62         A  10   3.093   7.016  -5.929
  111    H2     A  10           H2         A  10   5.176   9.659  -9.954
  112   1H5*    C  11          H5*         C  11  12.473  10.946  -7.559
  113   2H5*    C  11          H5**        C  11  13.188  12.178  -6.501
  114    H4*    C  11           H4*        C  11  11.392  12.989  -8.077
  115    H3*    C  11           H3*        C  11  11.431  13.584  -5.162
  116    H2*    C  11           H2*        C  11   9.226  14.365  -5.136
  117   2HO*    C  11          2HO*        C  11  10.018  15.437  -7.394
  118    H1*    C  11           H1*        C  11   8.234  12.907  -7.398
  119   1H4     C  11          H42         C  11   4.858  10.415  -2.586
  120   2H4     C  11          H41         C  11   6.219   9.403  -2.202
  121    H5     C  11           H5         C  11   8.363   9.547  -3.258
  122    H6     C  11           H6         C  11   9.676  10.725  -4.922
  123   1H5*    U  12          H5*         U  12  10.119  17.392  -5.969
  124   2H5*    U  12          H5**        U  12  11.662  18.267  -6.030
  125    H4*    U  12           H4*        U  12  10.266  19.563  -4.699
  126    H3*    U  12           H3*        U  12  12.259  18.048  -3.021
  127    H2*    U  12           H2*        U  12  11.362  19.139  -1.112
  128   2HO*    U  12          2HO*        U  12  10.798  21.092  -2.717
  129    H1*    U  12           H1*        U  12   8.722  18.688  -1.761
  130    H3     U  12           H3         U  12  10.045  15.876   1.645
  131    H5     U  12           H5         U  12  10.690  13.777  -1.934
  132    H6     U  12           H6         U  12  10.268  15.815  -3.111
  133   1H5*    G  13          H5*         G  13  12.354  22.171  -2.298
  134   2H5*    G  13          H5**        G  13  13.808  22.754  -1.514
  135    H4*    G  13           H4*        G  13  11.398  22.733  -0.418
  136    H3*    G  13           H3*        G  13  13.858  23.458   0.568
  137    H2*    G  13           H2*        G  13  14.295  21.670   1.966
  138   2HO*    G  13          2HO*        G  13  12.665  23.422   3.218
  139    H1*    G  13           H1*        G  13  11.407  20.853   2.402
  140    H8     G  13           H8         G  13  13.910  19.172   0.134
  141    H1     G  13           H1         G  13  13.319  16.315   5.835
  142   1H2     G  13          H21         G  13  12.289  17.260   7.055
  143   2H2     G  13          H22         G  13  11.461  18.722   6.950
  144   1H5*    C  14          H5*         C  14  11.101  25.660   3.773
  145   2H5*    C  14          H5**        C  14  12.078  27.113   3.996
  146    H4*    C  14           H4*        C  14  11.760  26.022   6.083
  147    H3*    C  14           H3*        C  14  14.625  25.861   5.213
  148    H2*    C  14           H2*        C  14  15.045  24.793   7.283
  149   2HO*    C  14          2HO*        C  14  14.013  25.723   8.934
  150    H1*    C  14           H1*        C  14  12.488  23.498   7.368
  151   1H4     C  14          H41         C  14  16.190  18.599   6.793
  152   2H4     C  14          H42         C  14  17.175  19.071   5.504
  153    H5     C  14           H5         C  14  16.599  21.433   4.421
  154    H6     C  14           H6         C  14  15.157  23.378   4.704
  155   1H5*    A  15          H5*         A  15  13.718  28.003   8.961
  156   2H5*    A  15          H5**        A  15  14.958  29.188   9.406
  157    H4*    A  15           H4*        A  15  14.380  27.579  11.207
  158    H3*    A  15           H3*        A  15  17.251  27.800  10.313
  159    H2*    A  15           H2*        A  15  17.799  26.142  11.944
  160   2HO*    A  15          2HO*        A  15  15.840  27.230  13.274
  161    H1*    A  15           H1*        A  15  15.569  24.506  11.499
  162    H8     A  15           H8         A  15  17.301  25.978   8.397
  163   1H6     A  15          H62         A  15  20.238  20.532   8.078
  164   2H6     A  15          H61         A  15  19.967  22.070   7.264
  165    H2     A  15           H2         A  15  17.899  20.601  11.851
  166   1H5*    G  16          H5*         G  16  17.493  28.091  14.464
  167   2H5*    G  16          H5**        G  16  18.672  29.355  14.821
  168    H4*    G  16           H4*        G  16  19.381  27.379  15.858
  169    H3*    G  16           H3*        G  16  21.167  27.949  13.461
  170    H2*    G  16           H2*        G  16  22.520  26.169  14.515
  171   2HO*    G  16          2HO*        G  16  21.861  25.266  16.512
  172    H1*    G  16           H1*        G  16  20.371  24.451  14.518
  173    H8     G  16           H8         G  16  20.355  27.215  11.869
  174    H1     G  16           H1         G  16  22.299  21.522   9.679
  175   1H2     G  16          H22         G  16  22.451  20.106  11.297
  176   2H2     G  16          H21         G  16  22.073  20.542  12.947
  177   1H5*    A  17          H5*         A  17  25.224  28.270  13.757
  178   2H5*    A  17          H5**        A  17  23.931  27.465  14.614
  179    H4*    A  17           H4*        A  17  25.463  29.814  15.653
  180    H3*    A  17           H3*        A  17  25.806  26.872  16.024
  181    H2*    A  17           H2*        A  17  26.101  27.100  18.281
  182   2HO*    A  17          2HO*        A  17  27.758  28.718  18.175
  183    H1*    A  17           H1*        A  17  24.577  29.565  18.464
  184    H8     A  17           H8         A  17  21.784  27.816  17.743
  185   1H6     A  17          H62         A  17  21.807  25.025  23.307
  186   2H6     A  17          H61         A  17  20.806  25.407  21.909
  187    H2     A  17           H2         A  17  25.845  26.659  22.589
  188   1H5*    G  18          H5*         G  18  27.939  24.702  13.720
  189   2H5*    G  18          H5**        G  18  26.694  25.708  14.451
  190    H4*    G  18           H4*        G  18  28.650  24.286  16.194
  191    H3*    G  18           H3*        G  18  26.311  22.851  14.919
  192    H2*    G  18           H2*        G  18  26.099  21.718  17.004
  193   2HO*    G  18          2HO*        G  18  28.718  21.953  17.032
  194    H1*    G  18           H1*        G  18  26.826  23.990  18.584
  195    H8     G  18           H8         G  18  24.096  24.691  16.013
  196    H1     G  18           H1         G  18  21.999  22.459  21.666
  197   1H2     G  18          H21         G  18  23.705  21.784  22.911
  198   2H2     G  18          H22         G  18  25.345  21.899  22.294
  199   1H5*    A  19          H5*         A  19  28.391  19.744  16.296
  200   2H5*    A  19          H5**        A  19  28.457  18.405  15.143
  201    H4*    A  19           H4*        A  19  27.364  17.737  17.194
  202    H3*    A  19           H3*        A  19  25.592  17.725  14.747
  203    H2*    A  19           H2*        A  19  23.874  16.864  16.174
  204   2HO*    A  19          2HO*        A  19  25.781  15.731  17.480
  205    H1*    A  19           H1*        A  19  24.248  18.622  18.209
  206    H8     A  19           H8         A  19  24.872  20.379  14.957
  207   1H6     A  19          H62         A  19  18.737  21.067  14.511
  208   2H6     A  19          H61         A  19  20.281  21.553  13.824
  209    H2     A  19           H2         A  19  19.563  18.304  17.889
  210   1H5*    U  20          H5*         U  20  24.053  14.540  15.900
  211   2H5*    U  20          H5**        U  20  23.635  13.605  14.468
  212    H4*    U  20           H4*        U  20  21.871  15.027  15.899
  213    H3*    U  20           H3*        U  20  21.701  14.336  12.974
  214    H2*    U  20           H2*        U  20  19.596  15.469  13.010
  215   2HO*    U  20          2HO*        U  20  18.464  15.474  14.824
  216    H1*    U  20           H1*        U  20  20.519  17.606  14.581
  217    H3     U  20           H3         U  20  19.474  19.101  10.315
  218    H5     U  20           H5         U  20  23.496  17.956  10.218
  219    H6     U  20           H6         U  20  23.205  16.980  12.423
  220   1H5*    G  21          H5*         G  21  18.431  13.242  15.406
  221   2H5*    G  21          H5**        G  21  17.448  11.904  14.824
  222    H4*    G  21           H4*        G  21  16.301  14.066  15.309
  223    H3*    G  21           H3*        G  21  15.599  12.170  13.413
  224    H2*    G  21           H2*        G  21  15.862  13.463  11.486
  225   2HO*    G  21          2HO*        G  21  13.457  13.971  12.598
  226    H1*    G  21           H1*        G  21  15.510  16.082  12.981
  227    H8     G  21           H8         G  21  18.501  14.476  11.147
  228    H1     G  21           H1         G  21  15.969  19.693   8.377
  229   1H2     G  21          H22         G  21  14.190  20.318   9.425
  230   2H2     G  21          H21         G  21  13.640  19.452  10.848
  231   1H5*    C  22          H5*         C  22  11.417  14.392  14.554
  232   2H5*    C  22          H5**        C  22  10.300  13.041  14.349
  233    H4*    C  22           H4*        C  22   9.669  15.091  13.119
  234    H3*    C  22           H3*        C  22  10.046  12.602  11.466
  235    H2*    C  22           H2*        C  22   9.381  13.902   9.602
  236   2HO*    C  22          2HO*        C  22   7.713  15.212  10.054
  237    H1*    C  22           H1*        C  22  10.615  16.301  10.545
  238   1H4     C  22          H42         C  22  14.399  14.699   5.677
  239   2H4     C  22          H41         C  22  14.794  13.198   6.475
  240    H5     C  22           H5         C  22  13.874  12.463   8.524
  241    H6     C  22           H6         C  22  12.341  13.007  10.331
  242   1H5*    A  23          H5*         A  23   6.161  14.648  11.552
  243   2H5*    A  23          H5**        A  23   4.792  13.581  11.230
  244    H4*    A  23           H4*        A  23   4.828  15.738   9.983
  245    H3*    A  23           H3*        A  23   3.654  13.489   9.140
  246    H2*    A  23           H2*        A  23   5.697  12.723   7.966
  247   2HO*    A  23          2HO*        A  23   4.082  14.280   6.167
  248    H1*    A  23           H1*        A  23   5.787  15.655   7.005
  249    H8     A  23           H8         A  23   8.259  12.785   7.953
  250   1H6     A  23          H62         A  23  11.141  14.352   2.662
  251   2H6     A  23          H61         A  23  11.192  13.290   4.064
  252    H2     A  23           H2         A  23   7.574  16.943   3.107
  253   1H5*    A  24          H5*         A  24   2.387  12.519   6.091
  254   2H5*    A  24          H5**        A  24   0.806  13.312   5.967
  255    H4*    A  24           H4*        A  24   0.104  11.536   7.719
  256    H3*    A  24           H3*        A  24   2.362   9.989   6.417
  257    H2*    A  24           H2*        A  24   0.921   8.098   6.828
  258   2HO*    A  24          2HO*        A  24   0.128   8.694   8.880
  259    H1*    A  24           H1*        A  24  -1.390   9.529   6.067
  260    H8     A  24           H8         A  24   0.443  10.416   3.188
  261   1H6     A  24          H61         A  24   0.200   4.526   1.163
  262   2H6     A  24          H62         A  24   0.536   6.179   0.644
  263    H2     A  24           H2         A  24  -0.849   4.530   5.427
  264   1H5*    U  25          H5*         U  25   0.855   8.882  11.055
  265   2H5*    U  25          H5**        U  25   1.836   7.461  11.401
  266    H4*    U  25           H4*        U  25  -0.244   6.869  11.996
  267    H3*    U  25           H3*        U  25  -0.024   5.562   9.290
  268    H2*    U  25           H2*        U  25  -2.055   4.490   9.975
  269   2HO*    U  25          2HO*        U  25  -2.082   4.025  12.099
  270    H1*    U  25           H1*        U  25  -3.013   6.872  11.202
  271    H3     U  25           H3         U  25  -6.258   6.230   8.137
  272    H5     U  25           H5         U  25  -2.931   7.216   5.809
  273    H6     U  25           H6         U  25  -1.589   7.136   7.809
  274   1H5*    C  26          H5*         C  26  -0.004   2.426  12.887
  275   2H5*    C  26          H5**        C  26   0.129   0.836  12.125
  276    H4*    C  26           H4*        C  26  -1.906   1.328  13.615
  277    H3*    C  26           H3*        C  26  -2.326   0.116  10.866
  278    H2*    C  26           H2*        C  26  -4.634  -0.052  11.571
  279   2HO*    C  26          2HO*        C  26  -3.801  -0.419  13.919
  280    H1*    C  26           H1*        C  26  -4.662   2.531  12.660
  281   1H4     C  26          H41         C  26  -7.330   3.079   7.162
  282   2H4     C  26          H42         C  26  -6.034   3.185   6.121
  283    H5     C  26           H5         C  26  -3.613   2.889   7.395
  284    H6     C  26           H6         C  26  -2.668   2.410   9.610
  285   1H5*    C  27          H5*         C  27  -4.182  -2.127  14.330
  286   2H5*    C  27          H5**        C  27  -4.065  -3.833  13.894
  287    H4*    C  27           H4*        C  27  -6.325  -2.827  14.674
  288    H3*    C  27           H3*        C  27  -5.998  -4.863  12.478
  289    H2*    C  27           H2*        C  27  -8.381  -4.845  12.279
  290   2HO*    C  27          2HO*        C  27  -8.397  -4.425  14.797
  291    H1*    C  27           H1*        C  27  -8.654  -2.052  12.475
  292   1H4     C  27          H41         C  27  -8.792  -3.491   6.319
  293   2H4     C  27          H42         C  27  -7.194  -3.089   6.019
  294    H5     C  27           H5         C  27  -5.645  -2.653   8.136
  295    H6     C  27           H6         C  27  -5.705  -2.447  10.559
  296   1H5*    A  28          H5*         A  28  -8.739  -7.008  14.356
  297   2H5*    A  28          H5**        A  28  -8.009  -8.585  14.700
  298    H4*    A  28           H4*        A  28  -9.840  -9.101  13.419
  299    H3*    A  28           H3*        A  28  -7.528  -9.035  11.471
  300    H2*    A  28           H2*        A  28  -9.103  -9.965   9.939
  301   2HO*    A  28          2HO*        A  28 -10.560 -11.296  10.845
  302    H1*    A  28           H1*        A  28 -11.146  -8.188  10.757
  303    H8     A  28           H8         A  28  -7.410  -7.329  10.027
  304   1H6     A  28          H62         A  28  -9.681  -5.153   4.648
  305   2H6     A  28          H61         A  28  -8.212  -5.336   5.603
  306    H2     A  28           H2         A  28 -13.029  -6.857   6.957
  307   1H5*    G  29          H5*         G  29  -9.346 -13.117  12.485
  308   2H5*    G  29          H5**        G  29  -8.560 -14.432  11.616
  309    H4*    G  29           H4*        G  29 -11.148 -13.745  11.384
  310    H3*    G  29           H3*        G  29  -9.926 -15.832  10.322
  311    H2*    G  29           H2*        G  29  -8.775 -14.287   8.721
  312   2HO*    G  29          2HO*        G  29 -10.952 -15.786   7.578
  313    H1*    G  29           H1*        G  29 -11.678 -13.386   8.216
  314    H8     G  29           H8         G  29  -8.040 -12.082   8.097
  315    H1     G  29           H1         G  29 -11.823 -10.242   3.252
  316   1H2     G  29          H22         G  29 -13.799 -11.122   3.482
  317   2H2     G  29          H21         G  29 -14.191 -12.175   4.840
  318   1H5*    U  30          H5*         U  30 -13.184 -14.790   7.345
  319   2H5*    U  30          H5**        U  30 -14.270 -16.180   7.390
  320    H4*    U  30           H4*        U  30 -14.205 -15.559   5.194
  321    H3*    U  30           H3*        U  30 -12.319 -17.906   5.380
  322    H2*    U  30           H2*        U  30 -12.370 -17.795   3.003
  323   2HO*    U  30          2HO*        U  30 -14.123 -17.043   2.009
  324    H1*    U  30           H1*        U  30 -12.219 -14.972   2.980
  325    H3     U  30           H3         U  30  -8.416 -16.395   0.936
  326    H5     U  30           H5         U  30  -7.735 -17.181   4.983
  327    H6     U  30           H6         U  30 -10.040 -16.577   5.403
  328   1H5*    G  31          H5*         G  31 -15.999 -18.095   3.051
  329   2H5*    G  31          H5**        G  31 -16.537 -19.742   2.715
  330    H4*    G  31           H4*        G  31 -16.445 -18.301   0.722
  331    H3*    G  31           H3*        G  31 -14.700 -20.763   0.688
  332    H2*    G  31           H2*        G  31 -14.312 -20.216  -1.598
  333   2HO*    G  31          2HO*        G  31 -16.041 -19.390  -2.600
  334    H1*    G  31           H1*        G  31 -14.048 -17.444  -1.100
  335    H8     G  31           H8         G  31 -12.231 -19.769   1.350
  336    H1     G  31           H1         G  31  -8.991 -18.272  -3.980
  337   1H2     G  31          H21         G  31  -9.991 -17.368  -5.237
  338   2H2     G  31          H22         G  31 -11.573 -16.811  -5.253
  339   1H5*    G  32          H5*         G  32 -17.864 -20.475  -2.095
  340   2H5*    G  32          H5**        G  32 -18.526 -21.988  -2.720
  341    H4*    G  32           H4*        G  32 -17.766 -20.350  -4.454
  342    H3*    G  32           H3*        G  32 -16.645 -23.148  -4.465
  343    H2*    G  32           H2*        G  32 -15.517 -22.546  -6.469
  344   2HO*    G  32          2HO*        G  32 -17.598 -21.110  -6.967
  345    H1*    G  32           H1*        G  32 -14.849 -19.946  -5.630
  346    H8     G  32           H8         G  32 -14.178 -22.654  -3.053
  347    H1     G  32           H1         G  32  -9.607 -21.870  -7.469
  348   1H2     G  32          H21         G  32 -10.060 -20.735  -8.829
  349   2H2     G  32          H22         G  32 -11.432 -19.840  -9.187
  350   1H5*    U  33          H5*         U  33 -18.983 -22.274  -8.159
  351   2H5*    U  33          H5**        U  33 -19.807 -23.756  -8.668
  352    H4*    U  33           H4*        U  33 -18.591 -22.739 -10.500
  353    H3*    U  33           H3*        U  33 -17.486 -25.427  -9.651
  354    H2*    U  33           H2*        U  33 -16.076 -25.229 -11.595
  355   2HO*    U  33          2HO*        U  33 -17.873 -23.949 -12.760
  356    H1*    U  33           H1*        U  33 -15.302 -22.642 -10.974
  357    H3     U  33           H3         U  33 -11.863 -25.517 -10.073
  358    H5     U  33           H5         U  33 -14.177 -25.376  -6.551
  359    H6     U  33           H6         U  33 -15.835 -24.185  -7.809
  360   1H5*    C  34          H5*         C  34 -18.439 -25.609 -13.679
  361   2H5*    C  34          H5**        C  34 -19.128 -27.165 -14.175
  362    H4*    C  34           H4*        C  34 -17.080 -26.456 -15.423
  363    H3*    C  34           H3*        C  34 -17.143 -29.131 -14.030
  364    H2*    C  34           H2*        C  34 -14.965 -29.522 -14.945
  365   2HO*    C  34          2HO*        C  34 -15.748 -27.968 -16.866
  366    H1*    C  34           H1*        C  34 -13.974 -26.999 -14.277
  367   1H4     C  34          H42         C  34 -12.427 -30.905  -9.502
  368   2H4     C  34          H41         C  34 -13.617 -30.101  -8.481
  369    H5     C  34           H5         C  34 -15.186 -28.452  -9.402
  370    H6     C  34           H6         C  34 -15.878 -27.319 -11.430
  371   1H5*    C  35          H5*         C  35 -16.015 -29.583 -18.213
  372   2H5*    C  35          H5**        C  35 -16.490 -31.175 -18.789
  373    H4*    C  35           H4*        C  35 -13.968 -30.253 -18.670
  374    H3*    C  35           H3*        C  35 -14.861 -32.481 -19.769
  375    H2*    C  35           H2*        C  35 -15.238 -33.590 -17.588
  376   2HO*    C  35          2HO*        C  35 -12.940 -34.838 -17.484
  377    H1*    C  35           H1*        C  35 -12.382 -32.639 -16.967
  378   1H4     C  35          H41         C  35 -13.537 -35.907 -11.781
  379   2H4     C  35          H42         C  35 -14.598 -34.817 -11.032
  380    H5     C  35           H5         C  35 -15.438 -32.795 -12.579
  381    H6     C  35           H6         C  35 -15.093 -31.788 -14.784
  382    H3T    C  35           H3T        C  35 -12.629 -33.181 -19.778
  383   1H5*    A  36          H5*         A  36 -10.826 -14.361  -7.578
  384   2H5*    A  36          H5**        A  36 -12.542 -14.518  -7.955
  385    H4*    A  36           H4*        A  36 -13.207 -13.929  -5.938
  386    H3*    A  36           H3*        A  36 -10.953 -11.933  -5.642
  387    H2*    A  36           H2*        A  36 -11.754 -11.822  -3.366
  388   2HO*    A  36          2HO*        A  36 -13.861 -12.349  -3.066
  389    H1*    A  36           H1*        A  36 -11.627 -14.584  -3.146
  390    H8     A  36           H8         A  36  -8.874 -13.962  -5.408
  391   1H6     A  36          H61         A  36  -5.506 -11.741  -0.710
  392   2H6     A  36          H62         A  36  -5.422 -12.289  -2.378
  393    H2     A  36           H2         A  36  -9.693 -12.054   0.655
  394    H5T    A  36           H5T        A  36 -12.216 -11.980  -7.671
  395   1H5*    C  37          H5*         C  37 -15.135 -11.308  -4.825
  396   2H5*    C  37          H5**        C  37 -15.710  -9.626  -4.848
  397    H4*    C  37           H4*        C  37 -16.585 -10.989  -2.952
  398    H3*    C  37           H3*        C  37 -15.039  -8.450  -2.426
  399    H2*    C  37           H2*        C  37 -15.435  -8.806  -0.098
  400   2HO*    C  37          2HO*        C  37 -17.648  -9.879  -0.910
  401    H1*    C  37           H1*        C  37 -14.972 -11.585  -0.158
  402   1H4     C  37          H42         C  37  -9.645  -8.993   2.034
  403   2H4     C  37          H41         C  37  -8.975  -8.914   0.404
  404    H5     C  37           H5         C  37 -10.300  -9.489  -1.563
  405    H6     C  37           H6         C  37 -12.466 -10.204  -2.315
  406   1H5*    U  38          H5*         U  38 -18.100  -7.691  -0.233
  407   2H5*    U  38          H5**        U  38 -18.814  -6.144  -0.690
  408    H4*    U  38           H4*        U  38 -18.387  -5.882   1.510
  409    H3*    U  38           H3*        U  38 -15.955  -4.642   0.235
  410    H2*    U  38           H2*        U  38 -15.530  -3.847   2.429
  411   2HO*    U  38          2HO*        U  38 -17.146  -3.520   3.796
  412    H1*    U  38           H1*        U  38 -16.272  -6.334   3.572
  413    H3     U  38           H3         U  38 -11.966  -5.625   4.697
  414    H5     U  38           H5         U  38 -11.754  -6.571   0.630
  415    H6     U  38           H6         U  38 -14.168  -6.530   0.570
  416   1H5*    G  39          H5*         G  39 -18.458  -2.118   2.556
  417   2H5*    G  39          H5**        G  39 -18.280  -0.400   2.191
  418    H4*    G  39           H4*        G  39 -17.961  -1.052   4.597
  419    H3*    G  39           H3*        G  39 -15.837   0.519   3.163
  420    H2*    G  39           H2*        G  39 -14.695   0.650   5.216
  421   2HO*    G  39          2HO*        G  39 -15.893   0.899   6.969
  422    H1*    G  39           H1*        G  39 -15.386  -1.976   6.058
  423    H8     G  39           H8         G  39 -13.904  -1.459   2.570
  424    H1     G  39           H1         G  39  -9.707  -2.279   7.344
  425   1H2     G  39          H21         G  39 -10.440  -2.330   8.985
  426   2H2     G  39          H22         G  39 -12.008  -2.212   9.561
  427   1H5*    G  40          H5*         G  40 -17.747   2.229   6.503
  428   2H5*    G  40          H5**        G  40 -17.859   3.992   6.568
  429    H4*    G  40           H4*        G  40 -16.849   2.915   8.581
  430    H3*    G  40           H3*        G  40 -15.354   5.093   7.111
  431    H2*    G  40           H2*        G  40 -13.622   4.803   8.752
  432   2HO*    G  40          2HO*        G  40 -15.637   4.413  10.326
  433    H1*    G  40           H1*        G  40 -13.922   1.993   9.066
  434    H8     G  40           H8         G  40 -13.569   3.208   5.477
  435    H1     G  40           H1         G  40  -8.036   1.849   8.461
  436   1H2     G  40          H22         G  40  -8.351   1.508  10.545
  437   2H2     G  40          H21         G  40  -9.968   1.589  11.226
  438   1H5*    C  41          H5*         C  41 -14.103   6.948   9.719
  439   2H5*    C  41          H5**        C  41 -15.336   8.091  10.255
  440    H4*    C  41           H4*        C  41 -14.255   9.893   9.532
  441    H3*    C  41           H3*        C  41 -13.967   9.091   7.038
  442    H2*    C  41           H2*        C  41 -12.401   7.293   7.729
  443   2HO*    C  41          2HO*        C  41 -11.473   8.461   5.908
  444    H1*    C  41           H1*        C  41 -10.881   9.570   9.106
  445   1H4     C  41          H42         C  41  -6.971   4.926  10.767
  446   2H4     C  41          H41         C  41  -8.257   3.860  11.313
  447    H5     C  41           H5         C  41 -10.610   4.528  11.074
  448    H6     C  41           H6         C  41 -12.093   6.295  10.280
  449   1H5*    U  42          H5*         U  42 -12.613  12.677   4.787
  450   2H5*    U  42          H5**        U  42 -13.571  11.810   3.584
  451    H4*    U  42           H4*        U  42 -11.498  10.540   5.350
  452    H3*    U  42           H3*        U  42 -11.215  11.537   2.514
  453    H2*    U  42           H2*        U  42  -9.685   9.700   2.182
  454   2HO*    U  42          2HO*        U  42  -9.394   9.858   4.845
  455    H1*    U  42           H1*        U  42 -11.392   7.840   3.370
  456    H3     U  42           H3         U  42 -11.990   6.808  -0.991
  457    H5     U  42           H5         U  42 -14.086  10.397  -0.547
  458    H6     U  42           H6         U  42 -13.195  10.556   1.689
  459   1H5*    U  43          H5*         U  43  -8.003  11.303   0.890
  460   2H5*    U  43          H5**        U  43  -7.785  11.328   2.642
  461    H4*    U  43           H4*        U  43  -6.824  13.795   1.534
  462    H3*    U  43           H3*        U  43  -5.768  11.318   0.176
  463    H2*    U  43           H2*        U  43  -3.632  12.464   0.092
  464   2HO*    U  43          2HO*        U  43  -3.413  14.570   0.893
  465    H1*    U  43           H1*        U  43  -3.685  12.832   2.824
  466    H3     U  43           H3         U  43  -1.379   8.961   1.670
  467    H5     U  43           H5         U  43  -5.252   7.782   2.713
  468    H6     U  43           H6         U  43  -5.896  10.088   2.707
  469   1H5*    G  44          H5*         G  44  -4.496  14.744  -1.928
  470   2H5*    G  44          H5**        G  44  -5.478  14.662  -3.403
  471    H4*    G  44           H4*        G  44  -3.486  15.480  -4.158
  472    H3*    G  44           H3*        G  44  -3.382  12.490  -4.636
  473    H2*    G  44           H2*        G  44  -1.338  12.941  -5.773
  474   2HO*    G  44          2HO*        G  44  -2.467  15.235  -6.358
  475    H1*    G  44           H1*        G  44  -0.494  14.839  -3.854
  476    H8     G  44           H8         G  44  -1.851  11.809  -2.152
  477    H1     G  44           H1         G  44   4.187  11.211  -4.219
  478   1H2     G  44          H21         G  44   4.731  12.610  -5.350
  479   2H2     G  44          H22         G  44   3.946  13.975  -5.927
  480   1H5*    U  45          H5*         U  45  -3.065  15.011  -8.089
  481   2H5*    U  45          H5**        U  45  -4.034  14.387  -9.440
  482    H4*    U  45           H4*        U  45  -1.855  14.981 -10.250
  483    H3*    U  45           H3*        U  45  -2.418  12.014 -10.162
  484    H2*    U  45           H2*        U  45  -0.310  11.666 -11.150
  485   2HO*    U  45          2HO*        U  45  -0.720  13.831 -12.430
  486    H1*    U  45           H1*        U  45   1.060  13.526  -9.613
  487    H3     U  45           H3         U  45   2.779   9.778  -7.774
  488    H5     U  45           H5         U  45  -1.297   9.523  -6.851
  489    H6     U  45           H6         U  45  -1.648  11.503  -8.140
  490   1H5*    G  46          H5*         G  46  -1.334  11.994 -13.594
  491   2H5*    G  46          H5**        G  46  -2.341  10.988 -14.633
  492    H4*    G  46           H4*        G  46  -0.122  10.113 -14.422
  493    H3*    G  46           H3*        G  46  -2.195   8.275 -13.239
  494    H2*    G  46           H2*        G  46  -0.377   6.713 -13.130
  495   2HO*    G  46          2HO*        G  46   1.002   6.865 -14.789
  496    H1*    G  46           H1*        G  46   1.464   8.718 -12.284
  497    H8     G  46           H8         G  46  -1.795   8.799 -10.374
  498    H1     G  46           H1         G  46   2.678   4.750  -8.203
  499   1H2     G  46          H21         G  46   4.123   4.536  -9.365
  500   2H2     G  46          H22         G  46   4.477   5.218 -10.864
  501   1H5*    G  47          H5*         G  47  -0.200   7.142 -16.831
  502   2H5*    G  47          H5**        G  47  -0.982   5.943 -17.867
  503    H4*    G  47           H4*        G  47   1.328   5.352 -17.221
  504    H3*    G  47           H3*        G  47  -0.842   3.440 -16.350
  505    H2*    G  47           H2*        G  47   0.931   2.025 -15.650
  506   2HO*    G  47          2HO*        G  47   2.641   2.099 -16.988
  507    H1*    G  47           H1*        G  47   2.430   4.099 -14.510
  508    H8     G  47           H8         G  47  -1.315   4.179 -13.835
  509    H1     G  47           H1         G  47   2.117   0.383  -9.941
  510   1H2     G  47          H22         G  47   4.137   0.222 -10.583
  511   2H2     G  47          H21         G  47   4.660   1.045 -12.042
  512   1H5*    C  48          H5*         C  48   1.920   1.582 -18.848
  513   2H5*    C  48          H5**        C  48   1.301   0.277 -19.875
  514    H4*    C  48           H4*        C  48   3.098  -0.504 -18.405
  515    H3*    C  48           H3*        C  48   0.369  -1.694 -17.896
  516    H2*    C  48           H2*        C  48   1.442  -3.131 -16.315
  517   2HO*    C  48          2HO*        C  48   3.506  -3.628 -16.828
  518    H1*    C  48           H1*        C  48   2.857  -1.078 -15.112
  519   1H4     C  48          H42         C  48  -2.475  -1.803 -11.802
  520   2H4     C  48          H41         C  48  -3.316  -0.620 -12.807
  521    H5     C  48           H5         C  48  -2.280   0.340 -14.787
  522    H6     C  48           H6         C  48  -0.285   0.330 -16.163
  523   1H5*    G  49          H5*         G  49   3.975  -3.678 -19.362
  524   2H5*    G  49          H5**        G  49   3.897  -5.317 -20.007
  525    H4*    G  49           H4*        G  49   5.565  -4.450 -18.044
  526    H3*    G  49           H3*        G  49   5.621  -6.752 -19.336
  527    H2*    G  49           H2*        G  49   3.562  -7.603 -18.263
  528   2HO*    G  49          2HO*        G  49   4.545  -9.033 -16.454
  529    H1*    G  49           H1*        G  49   4.879  -6.736 -15.617
  530    H8     G  49           H8         G  49   1.486  -5.433 -16.194
  531    H1     G  49           H1         G  49   1.391 -11.222 -13.412
  532   1H2     G  49          H21         G  49   3.370 -12.154 -13.550
  533   2H2     G  49          H22         G  49   4.717 -11.346 -14.332
  534    H3T    G  49           H3T        G  49   6.733  -7.518 -17.247
  Start of MODEL    9
    1   1H5*    G   1          H5*         G   1  -5.717 -36.863  -6.369
    2   2H5*    G   1          H5**        G   1  -4.257 -37.770  -6.018
    3    H4*    G   1           H4*        G   1  -3.530 -37.767  -8.066
    4    H3*    G   1           H3*        G   1  -3.341 -35.078  -8.109
    5    H2*    G   1           H2*        G   1  -5.530 -34.529  -8.789
    6   2HO*    G   1          2HO*        G   1  -3.835 -34.709 -10.841
    7    H1*    G   1           H1*        G   1  -5.852 -36.920 -10.616
    8    H8     G   1           H8         G   1  -7.469 -35.995  -7.243
    9    H1     G   1           H1         G   1 -11.276 -35.475 -12.362
   10   1H2     G   1          H22         G   1 -10.199 -35.844 -14.210
   11   2H2     G   1          H21         G   1  -8.482 -36.222 -14.159
   12    H5T    G   1           H5T        G   1  -3.114 -35.759  -6.035
   13   1H5*    G   2          H5*         G   2  -1.938 -34.817 -12.463
   14   2H5*    G   2          H5**        G   2  -0.547 -33.770 -12.165
   15    H4*    G   2           H4*        G   2  -2.020 -32.582 -13.564
   16    H3*    G   2           H3*        G   2  -2.225 -31.448 -10.756
   17    H2*    G   2           H2*        G   2  -3.760 -29.869 -11.685
   18   2HO*    G   2          2HO*        G   2  -2.260 -29.931 -13.742
   19    H1*    G   2           H1*        G   2  -4.977 -31.718 -13.458
   20    H8     G   2           H8         G   2  -4.386 -32.255  -9.630
   21    H1     G   2           H1         G   2 -10.320 -30.647 -11.423
   22   1H2     G   2          H22         G   2 -10.389 -30.266 -13.572
   23   2H2     G   2          H21         G   2  -8.945 -30.433 -14.565
   24   1H5*    A   3          H5*         A   3  -1.721 -28.052 -13.308
   25   2H5*    A   3          H5**        A   3  -0.867 -26.830 -12.372
   26    H4*    A   3           H4*        A   3  -3.052 -26.122 -13.259
   27    H3*    A   3           H3*        A   3  -2.646 -25.883 -10.290
   28    H2*    A   3           H2*        A   3  -4.772 -24.858 -10.220
   29   2HO*    A   3          2HO*        A   3  -4.690 -23.443 -11.963
   30    H1*    A   3           H1*        A   3  -5.876 -26.448 -12.304
   31    H8     A   3           H8         A   3  -4.354 -28.378  -9.386
   32   1H6     A   3          H62         A   3 -10.066 -27.979  -6.900
   33   2H6     A   3          H61         A   3  -8.494 -28.743  -6.706
   34    H2     A   3           H2         A   3  -9.947 -25.439 -10.500
   35   1H5*    C   4          H5*         C   4  -3.787 -22.286 -13.104
   36   2H5*    C   4          H5**        C   4  -2.948 -20.917 -12.359
   37    H4*    C   4           H4*        C   4  -5.370 -20.553 -13.059
   38    H3*    C   4           H3*        C   4  -4.260 -19.827 -10.374
   39    H2*    C   4           H2*        C   4  -6.360 -19.038  -9.714
   40   2HO*    C   4          2HO*        C   4  -7.110 -17.805 -11.393
   41    H1*    C   4           H1*        C   4  -7.897 -20.958 -11.134
   42   1H4     C   4          H41         C   4  -8.467 -22.222  -5.014
   43   2H4     C   4          H42         C   4  -7.220 -23.339  -4.906
   44    H5     C   4           H5         C   4  -5.592 -23.515  -7.056
   45    H6     C   4           H6         C   4  -5.340 -22.681  -9.332
   46   1H5*    C   5          H5*         C   5  -5.868 -16.598 -12.776
   47   2H5*    C   5          H5**        C   5  -4.949 -15.083 -12.726
   48    H4*    C   5           H4*        C   5  -7.367 -14.726 -12.330
   49    H3*    C   5           H3*        C   5  -5.307 -13.861 -10.776
   50    H2*    C   5           H2*        C   5  -5.815 -14.500  -8.672
   51   2HO*    C   5          2HO*        C   5  -7.624 -12.579  -9.268
   52    H1*    C   5           H1*        C   5  -8.691 -15.238  -9.395
   53   1H4     C   5          H42         C   5  -7.316 -18.966  -4.320
   54   2H4     C   5          H41         C   5  -5.678 -19.102  -4.903
   55    H5     C   5           H5         C   5  -4.815 -18.076  -6.855
   56    H6     C   5           H6         C   5  -5.330 -16.690  -8.764
   57   1H5*    C   6          H5*         C   6  -6.183 -11.388  -7.830
   58   2H5*    C   6          H5**        C   6  -5.326  -9.934  -8.309
   59    H4*    C   6           H4*        C   6  -4.665 -11.297  -6.168
   60    H3*    C   6           H3*        C   6  -3.399  -9.162  -7.017
   61    H2*    C   6           H2*        C   6  -2.680 -10.527  -9.048
   62   2HO*    C   6          2HO*        C   6  -0.228 -10.853  -8.293
   63    H1*    C   6           H1*        C   6  -1.401 -12.318  -6.899
   64   1H4     C   6          H41         C   6   0.583 -14.856 -12.467
   65   2H4     C   6          H42         C   6  -1.088 -15.291 -12.826
   66    H5     C   6           H5         C   6  -2.963 -14.617 -11.421
   67    H6     C   6           H6         C   6  -3.494 -13.346  -9.360
   68   1H5*    G   7          H5*         G   7   0.548 -10.568  -5.963
   69   2H5*    G   7          H5**        G   7   1.196  -9.503  -4.718
   70    H4*    G   7           H4*        G   7   2.679  -9.666  -6.601
   71    H3*    G   7           H3*        G   7   1.641  -6.949  -5.937
   72    H2*    G   7           H2*        G   7   2.775  -6.061  -7.856
   73   2HO*    G   7          2HO*        G   7   4.442  -8.084  -7.351
   74    H1*    G   7           H1*        G   7   2.240  -8.126  -9.621
   75    H8     G   7           H8         G   7  -1.061  -7.814  -8.037
   76    H1     G   7           H1         G   7   0.242  -2.900 -11.985
   77   1H2     G   7          H22         G   7   2.344  -2.892 -12.492
   78   2H2     G   7          H21         G   7   3.458  -4.086 -11.845
   79   1H5*    C   8          H5*         C   8   6.003  -7.178  -6.225
   80   2H5*    C   8          H5**        C   8   6.805  -6.133  -5.043
   81    H4*    C   8           H4*        C   8   7.623  -5.714  -7.274
   82    H3*    C   8           H3*        C   8   6.140  -3.379  -6.047
   83    H2*    C   8           H2*        C   8   6.793  -2.161  -8.043
   84   2HO*    C   8          2HO*        C   8   8.843  -3.756  -8.062
   85    H1*    C   8           H1*        C   8   6.079  -4.152  -9.779
   86   1H4     C   8          H41         C   8   0.948  -0.722  -9.573
   87   2H4     C   8          H42         C   8   0.174  -1.386  -8.257
   88    H5     C   8           H5         C   8   1.601  -3.309  -6.982
   89    H6     C   8           H6         C   8   3.774  -4.393  -7.002
   90   1H5*    C   9          H5*         C   9   9.273  -1.688  -7.864
   91   2H5*    C   9          H5**        C   9  10.116  -0.703  -6.674
   92    H4*    C   9           H4*        C   9   9.540   0.544  -8.682
   93    H3*    C   9           H3*        C   9   8.385   1.468  -6.070
   94    H2*    C   9           H2*        C   9   7.525   3.321  -7.222
   95   2HO*    C   9          2HO*        C   9   8.968   4.128  -8.628
   96    H1*    C   9           H1*        C   9   6.868   1.845  -9.605
   97   1H4     C   9          H42         C   9   1.263   2.865  -6.686
   98   2H4     C   9          H41         C   9   1.659   1.598  -5.559
   99    H5     C   9           H5         C   9   3.770   0.461  -5.473
  100    H6     C   9           H6         C   9   5.967   0.272  -6.483
  101   1H5*    A  10          H5*         A  10  11.430   4.017  -7.781
  102   2H5*    A  10          H5**        A  10  12.308   5.027  -6.625
  103    H4*    A  10           H4*        A  10  11.291   6.353  -8.392
  104    H3*    A  10           H3*        A  10  10.241   6.879  -5.623
  105    H2*    A  10           H2*        A  10   8.831   8.506  -6.567
  106   2HO*    A  10          2HO*        A  10   9.912   9.737  -7.979
  107    H1*    A  10           H1*        A  10   8.447   7.149  -9.043
  108    H8     A  10           H8         A  10   7.528   5.244  -5.805
  109   1H6     A  10          H61         A  10   1.858   7.541  -6.860
  110   2H6     A  10          H62         A  10   2.655   6.515  -5.795
  111    H2     A  10           H2         A  10   4.581   9.395  -9.739
  112   1H5*    C  11          H5*         C  11  11.994  10.220  -7.616
  113   2H5*    C  11          H5**        C  11  12.779  11.450  -6.607
  114    H4*    C  11           H4*        C  11  10.950  12.294  -8.101
  115    H3*    C  11           H3*        C  11  11.066  12.896  -5.189
  116    H2*    C  11           H2*        C  11   8.842  13.679  -5.123
  117   2HO*    C  11          2HO*        C  11   9.628  14.715  -7.414
  118    H1*    C  11           H1*        C  11   7.836  12.250  -7.389
  119   1H4     C  11          H42         C  11   4.353   9.595  -2.770
  120   2H4     C  11          H41         C  11   5.717   8.610  -2.326
  121    H5     C  11           H5         C  11   7.913   8.831  -3.287
  122    H6     C  11           H6         C  11   9.260  10.064  -4.885
  123   1H5*    U  12          H5*         U  12   9.689  16.654  -6.109
  124   2H5*    U  12          H5**        U  12  11.210  17.553  -6.255
  125    H4*    U  12           H4*        U  12   9.812  18.906  -4.993
  126    H3*    U  12           H3*        U  12  11.861  17.556  -3.243
  127    H2*    U  12           H2*        U  12  10.956  18.757  -1.417
  128   2HO*    U  12          2HO*        U  12  10.400  20.630  -3.007
  129    H1*    U  12           H1*        U  12   8.319  18.157  -1.965
  130    H3     U  12           H3         U  12  10.127  15.656   1.546
  131    H5     U  12           H5         U  12  10.282  13.286  -1.924
  132    H6     U  12           H6         U  12   9.730  15.232  -3.184
  133   1H5*    G  13          H5*         G  13  12.395  21.797  -2.829
  134   2H5*    G  13          H5**        G  13  13.897  22.211  -2.013
  135    H4*    G  13           H4*        G  13  11.454  22.342  -0.932
  136    H3*    G  13           H3*        G  13  13.918  22.901   0.167
  137    H2*    G  13           H2*        G  13  14.215  21.014   1.526
  138   2HO*    G  13          2HO*        G  13  12.880  22.787   2.875
  139    H1*    G  13           H1*        G  13  11.292  20.337   1.780
  140    H8     G  13           H8         G  13  13.585  18.421  -0.524
  141    H1     G  13           H1         G  13  13.305  16.162   5.468
  142   1H2     G  13          H21         G  13  12.411  17.297   6.641
  143   2H2     G  13          H22         G  13  11.667  18.790   6.440
  144   1H5*    C  14          H5*         C  14  11.045  23.819   3.681
  145   2H5*    C  14          H5**        C  14  11.501  25.496   4.018
  146    H4*    C  14           H4*        C  14  11.465  24.325   6.051
  147    H3*    C  14           H3*        C  14  14.312  24.890   5.273
  148    H2*    C  14           H2*        C  14  14.883  24.080   7.387
  149   2HO*    C  14          2HO*        C  14  13.558  24.581   9.004
  150    H1*    C  14           H1*        C  14  12.840  22.054   7.334
  151   1H4     C  14          H41         C  14  18.443  19.419   7.352
  152   2H4     C  14          H42         C  14  18.577  19.092   5.696
  153    H5     C  14           H5         C  14  16.683  20.284   4.161
  154    H6     C  14           H6         C  14  14.647  21.634   4.350
  155   1H5*    A  15          H5*         A  15  13.055  26.822   8.939
  156   2H5*    A  15          H5**        A  15  13.990  28.294   9.238
  157    H4*    A  15           H4*        A  15  14.062  26.790  11.144
  158    H3*    A  15           H3*        A  15  16.703  27.235   9.756
  159    H2*    A  15           H2*        A  15  17.692  25.941  11.445
  160   2HO*    A  15          2HO*        A  15  16.922  26.195  13.426
  161    H1*    A  15           H1*        A  15  15.505  24.117  11.657
  162    H8     A  15           H8         A  15  17.262  25.047   8.332
  163   1H6     A  15          H62         A  15  20.278  19.664   9.220
  164   2H6     A  15          H61         A  15  20.039  20.996   8.096
  165    H2     A  15           H2         A  15  17.730  20.416  12.749
  166   1H5*    G  16          H5*         G  16  16.908  28.468  13.984
  167   2H5*    G  16          H5**        G  16  18.213  29.647  14.149
  168    H4*    G  16           H4*        G  16  18.509  27.738  15.614
  169    H3*    G  16           H3*        G  16  20.655  27.926  13.488
  170    H2*    G  16           H2*        G  16  21.784  26.293  14.950
  171   2HO*    G  16          2HO*        G  16  20.840  25.665  16.894
  172    H1*    G  16           H1*        G  16  19.514  24.684  14.838
  173    H8     G  16           H8         G  16  20.218  26.950  11.784
  174    H1     G  16           H1         G  16  22.086  20.851  11.198
  175   1H2     G  16          H22         G  16  21.804  19.795  13.081
  176   2H2     G  16          H21         G  16  21.156  20.597  14.496
  177   1H5*    A  17          H5*         A  17  24.846  29.763  14.403
  178   2H5*    A  17          H5**        A  17  24.040  28.194  14.642
  179    H4*    A  17           H4*        A  17  25.648  29.802  16.627
  180    H3*    A  17           H3*        A  17  25.970  27.042  15.470
  181    H2*    A  17           H2*        A  17  26.577  26.194  17.588
  182   2HO*    A  17          2HO*        A  17  27.912  28.402  17.702
  183    H1*    A  17           H1*        A  17  25.065  28.071  19.118
  184    H8     A  17           H8         A  17  22.331  26.865  17.451
  185   1H6     A  17          H62         A  17  22.684  21.505  20.649
  186   2H6     A  17          H61         A  17  21.597  22.472  19.653
  187    H2     A  17           H2         A  17  26.518  23.586  21.031
  188   1H5*    G  18          H5*         G  18  28.666  25.719  17.104
  189   2H5*    G  18          H5**        G  18  29.518  24.709  15.944
  190    H4*    G  18           H4*        G  18  27.729  23.714  17.577
  191    H3*    G  18           H3*        G  18  28.208  22.793  14.758
  192    H2*    G  18           H2*        G  18  26.490  21.150  15.156
  193   2HO*    G  18          2HO*        G  18  26.391  20.662  17.321
  194    H1*    G  18           H1*        G  18  24.654  23.033  15.880
  195    H8     G  18           H8         G  18  25.590  25.585  14.158
  196    H1     G  18           H1         G  18  25.044  20.908   9.822
  197   1H2     G  18          H21         G  18  25.106  18.952  10.815
  198   2H2     G  18          H22         G  18  25.285  18.828  12.557
  199   1H5*    A  19          H5*         A  19  28.311  19.159  18.116
  200   2H5*    A  19          H5**        A  19  28.727  17.797  17.071
  201    H4*    A  19           H4*        A  19  26.814  17.153  18.199
  202    H3*    A  19           H3*        A  19  25.967  17.926  15.404
  203    H2*    A  19           H2*        A  19  23.783  17.297  16.046
  204   2HO*    A  19          2HO*        A  19  24.921  15.419  17.354
  205    H1*    A  19           H1*        A  19  24.022  18.170  18.736
  206    H8     A  19           H8         A  19  24.619  20.244  15.479
  207   1H6     A  19          H62         A  19  19.161  22.792  16.776
  208   2H6     A  19          H61         A  19  20.532  22.800  15.666
  209    H2     A  19           H2         A  19  19.935  19.674  19.834
  210   1H5*    U  20          H5*         U  20  24.290  13.871  16.168
  211   2H5*    U  20          H5**        U  20  24.037  13.164  14.562
  212    H4*    U  20           H4*        U  20  22.026  13.859  16.212
  213    H3*    U  20           H3*        U  20  21.997  13.842  13.202
  214    H2*    U  20           H2*        U  20  19.864  14.793  13.253
  215   2HO*    U  20          2HO*        U  20  18.532  14.313  14.828
  216    H1*    U  20           H1*        U  20  20.387  16.667  15.287
  217    H3     U  20           H3         U  20  19.785  18.997  11.416
  218    H5     U  20           H5         U  20  23.654  17.433  11.110
  219    H6     U  20           H6         U  20  23.220  16.167  13.095
  220   1H5*    G  21          H5*         G  21  18.429  11.681  14.873
  221   2H5*    G  21          H5**        G  21  17.483  10.961  13.574
  222    H4*    G  21           H4*        G  21  16.748  13.066  15.044
  223    H3*    G  21           H3*        G  21  15.432  11.814  13.025
  224    H2*    G  21           H2*        G  21  16.024  13.227  11.236
  225   2HO*    G  21          2HO*        G  21  14.698  15.333  11.468
  226    H1*    G  21           H1*        G  21  16.260  15.702  12.967
  227    H8     G  21           H8         G  21  19.083  13.820  11.197
  228    H1     G  21           H1         G  21  16.704  18.872   8.020
  229   1H2     G  21          H22         G  21  14.968  19.670   9.018
  230   2H2     G  21          H21         G  21  14.368  18.903  10.476
  231   1H5*    C  22          H5*         C  22  12.455  15.018  14.317
  232   2H5*    C  22          H5**        C  22  10.923  14.193  14.638
  233    H4*    C  22           H4*        C  22  10.444  15.966  13.189
  234    H3*    C  22           H3*        C  22  10.364  13.382  11.632
  235    H2*    C  22           H2*        C  22   9.648  14.728   9.777
  236   2HO*    C  22          2HO*        C  22   8.360  16.087  11.473
  237    H1*    C  22           H1*        C  22  11.288  16.930  10.460
  238   1H4     C  22          H42         C  22  14.456  14.592   5.452
  239   2H4     C  22          H41         C  22  14.733  13.107   6.326
  240    H5     C  22           H5         C  22  13.910  12.615   8.482
  241    H6     C  22           H6         C  22  12.604  13.445  10.354
  242   1H5*    A  23          H5*         A  23   6.665  15.446  11.730
  243   2H5*    A  23          H5**        A  23   5.227  14.428  11.639
  244    H4*    A  23           H4*        A  23   5.379  16.235   9.958
  245    H3*    A  23           H3*        A  23   4.204  13.793   9.578
  246    H2*    A  23           H2*        A  23   6.101  12.925   8.319
  247   2HO*    A  23          2HO*        A  23   4.183  14.178   6.670
  248    H1*    A  23           H1*        A  23   6.278  15.797   7.199
  249    H8     A  23           H8         A  23   8.736  12.954   8.223
  250   1H6     A  23          H62         A  23  11.280  13.981   2.634
  251   2H6     A  23          H61         A  23  11.428  13.054   4.124
  252    H2     A  23           H2         A  23   7.753  16.620   3.042
  253   1H5*    A  24          H5*         A  24   2.669  12.488   6.626
  254   2H5*    A  24          H5**        A  24   1.268  13.553   6.422
  255    H4*    A  24           H4*        A  24   0.630  11.665   8.426
  256    H3*    A  24           H3*        A  24   1.686  10.293   5.930
  257    H2*    A  24           H2*        A  24   0.051   8.589   6.563
  258   2HO*    A  24          2HO*        A  24  -0.306   8.655   8.763
  259    H1*    A  24           H1*        A  24  -1.938  10.492   6.642
  260    H8     A  24           H8         A  24  -0.679  12.353   4.137
  261   1H6     A  24          H61         A  24  -1.255   7.858  -0.079
  262   2H6     A  24          H62         A  24  -1.026   9.590   0.134
  263    H2     A  24           H2         A  24  -1.484   5.991   3.914
  264   1H5*    U  25          H5*         U  25   1.777   8.097  10.189
  265   2H5*    U  25          H5**        U  25   2.372   6.459   9.924
  266    H4*    U  25           H4*        U  25   0.408   6.510  11.289
  267    H3*    U  25           H3*        U  25  -0.101   5.032   8.715
  268    H2*    U  25           H2*        U  25  -2.156   4.426   9.734
  269   2HO*    U  25          2HO*        U  25  -1.751   3.946  11.851
  270    H1*    U  25           H1*        U  25  -2.478   6.971  10.981
  271    H3     U  25           H3         U  25  -6.188   6.188   8.470
  272    H5     U  25           H5         U  25  -3.346   7.482   5.719
  273    H6     U  25           H6         U  25  -1.673   7.350   7.450
  274   1H5*    C  26          H5*         C  26  -0.048   2.204  12.801
  275   2H5*    C  26          H5**        C  26  -0.022   0.611  12.023
  276    H4*    C  26           H4*        C  26  -1.809   1.023  13.791
  277    H3*    C  26           H3*        C  26  -2.573  -0.087  11.082
  278    H2*    C  26           H2*        C  26  -4.829  -0.137  11.895
  279   2HO*    C  26          2HO*        C  26  -3.733  -0.684  14.158
  280    H1*    C  26           H1*        C  26  -4.639   2.283  13.345
  281   1H4     C  26          H41         C  26  -7.862   4.154   8.445
  282   2H4     C  26          H42         C  26  -6.690   3.962   7.216
  283    H5     C  26           H5         C  26  -4.362   3.051   7.993
  284    H6     C  26           H6         C  26  -3.187   2.163   9.941
  285   1H5*    C  27          H5*         C  27  -4.281  -2.419  14.372
  286   2H5*    C  27          H5**        C  27  -4.246  -4.116  13.904
  287    H4*    C  27           H4*        C  27  -6.455  -3.030  14.693
  288    H3*    C  27           H3*        C  27  -6.225  -4.995  12.420
  289    H2*    C  27           H2*        C  27  -8.603  -4.885  12.262
  290   2HO*    C  27          2HO*        C  27  -8.608  -4.593  14.775
  291    H1*    C  27           H1*        C  27  -8.750  -2.084  12.577
  292   1H4     C  27          H41         C  27  -9.134  -3.382   6.416
  293   2H4     C  27          H42         C  27  -7.552  -2.878   6.063
  294    H5     C  27           H5         C  27  -5.954  -2.447   8.117
  295    H6     C  27           H6         C  27  -5.928  -2.323  10.552
  296   1H5*    A  28          H5*         A  28  -9.020  -6.917  14.134
  297   2H5*    A  28          H5**        A  28  -8.483  -8.570  14.475
  298    H4*    A  28           H4*        A  28 -10.332  -8.851  13.134
  299    H3*    A  28           H3*        A  28  -7.963  -9.044  11.271
  300    H2*    A  28           H2*        A  28  -9.561  -9.792   9.683
  301   2HO*    A  28          2HO*        A  28 -11.241 -10.907  10.461
  302    H1*    A  28           H1*        A  28 -11.415  -7.789  10.416
  303    H8     A  28           H8         A  28  -7.571  -7.470   9.823
  304   1H6     A  28          H62         A  28  -9.236  -5.159   4.322
  305   2H6     A  28          H61         A  28  -7.880  -5.543   5.381
  306    H2     A  28           H2         A  28 -12.943  -6.265   6.517
  307   1H5*    G  29          H5*         G  29 -10.299 -12.694  12.116
  308   2H5*    G  29          H5**        G  29  -9.615 -14.191  11.490
  309    H4*    G  29           H4*        G  29 -12.023 -13.326  10.864
  310    H3*    G  29           H3*        G  29 -10.842 -15.502   9.950
  311    H2*    G  29           H2*        G  29  -9.406 -14.038   8.495
  312   2HO*    G  29          2HO*        G  29 -11.456 -15.536   7.173
  313    H1*    G  29           H1*        G  29 -12.187 -12.987   7.685
  314    H8     G  29           H8         G  29  -8.477 -11.900   7.865
  315    H1     G  29           H1         G  29 -11.721 -10.004   2.666
  316   1H2     G  29          H22         G  29 -13.748 -10.758   2.746
  317   2H2     G  29          H21         G  29 -14.332 -11.744   4.085
  318   1H5*    U  30          H5*         U  30 -13.140 -14.577   6.352
  319   2H5*    U  30          H5**        U  30 -14.566 -15.615   6.504
  320    H4*    U  30           H4*        U  30 -13.842 -15.479   4.212
  321    H3*    U  30           H3*        U  30 -13.574 -18.209   5.477
  322    H2*    U  30           H2*        U  30 -13.052 -18.961   3.267
  323   2HO*    U  30          2HO*        U  30 -14.390 -17.655   2.024
  324    H1*    U  30           H1*        U  30 -11.324 -16.767   2.732
  325    H3     U  30           H3         U  30  -9.255 -21.071   3.523
  326    H5     U  30           H5         U  30  -8.139 -18.259   6.410
  327    H6     U  30           H6         U  30  -9.918 -16.832   5.586
  328   1H5*    G  31          H5*         G  31 -16.056 -16.776   1.726
  329   2H5*    G  31          H5**        G  31 -17.331 -17.982   1.483
  330    H4*    G  31           H4*        G  31 -16.631 -17.883  -0.606
  331    H3*    G  31           H3*        G  31 -14.578 -19.832   0.425
  332    H2*    G  31           H2*        G  31 -14.037 -20.088  -1.886
  333   2HO*    G  31          2HO*        G  31 -15.986 -19.934  -2.985
  334    H1*    G  31           H1*        G  31 -14.200 -17.309  -2.304
  335    H8     G  31           H8         G  31 -12.229 -18.683   0.778
  336    H1     G  31           H1         G  31  -8.873 -17.862  -4.622
  337   1H2     G  31          H21         G  31  -9.892 -17.377  -6.098
  338   2H2     G  31          H22         G  31 -11.525 -17.060  -6.303
  339   1H5*    G  32          H5*         G  32 -18.179 -21.766  -1.609
  340   2H5*    G  32          H5**        G  32 -18.032 -23.477  -2.016
  341    H4*    G  32           H4*        G  32 -18.053 -21.605  -3.861
  342    H3*    G  32           H3*        G  32 -16.424 -24.139  -3.955
  343    H2*    G  32           H2*        G  32 -15.555 -23.355  -6.059
  344   2HO*    G  32          2HO*        G  32 -17.865 -22.119  -6.253
  345    H1*    G  32           H1*        G  32 -15.027 -20.805  -5.208
  346    H8     G  32           H8         G  32 -14.438 -23.349  -2.431
  347    H1     G  32           H1         G  32  -9.563 -22.493  -6.477
  348   1H2     G  32          H21         G  32  -9.953 -21.439  -7.919
  349   2H2     G  32          H22         G  32 -11.334 -20.643  -8.427
  350   1H5*    U  33          H5*         U  33 -18.754 -23.766  -7.511
  351   2H5*    U  33          H5**        U  33 -19.421 -25.313  -8.061
  352    H4*    U  33           H4*        U  33 -18.133 -24.192  -9.807
  353    H3*    U  33           H3*        U  33 -17.046 -26.850  -8.878
  354    H2*    U  33           H2*        U  33 -15.353 -26.585 -10.571
  355   2HO*    U  33          2HO*        U  33 -17.118 -25.335 -11.907
  356    H1*    U  33           H1*        U  33 -14.797 -23.935  -9.950
  357    H3     U  33           H3         U  33 -11.358 -26.690  -8.535
  358    H5     U  33           H5         U  33 -13.956 -26.259  -5.273
  359    H6     U  33           H6         U  33 -15.529 -25.258  -6.763
  360   1H5*    C  34          H5*         C  34 -18.080 -26.738 -13.027
  361   2H5*    C  34          H5**        C  34 -18.684 -28.215 -13.802
  362    H4*    C  34           H4*        C  34 -16.689 -27.281 -14.920
  363    H3*    C  34           H3*        C  34 -16.505 -30.071 -13.797
  364    H2*    C  34           H2*        C  34 -14.236 -30.152 -14.516
  365   2HO*    C  34          2HO*        C  34 -15.096 -28.705 -16.482
  366    H1*    C  34           H1*        C  34 -13.589 -27.496 -13.849
  367   1H4     C  34          H42         C  34 -11.205 -30.899  -9.074
  368   2H4     C  34          H41         C  34 -12.709 -30.745  -8.177
  369    H5     C  34           H5         C  34 -14.690 -29.742  -9.156
  370    H6     C  34           H6         C  34 -15.594 -28.715 -11.157
  371   1H5*    C  35          H5*         C  35 -15.257 -30.103 -18.022
  372   2H5*    C  35          H5**        C  35 -15.594 -31.694 -18.692
  373    H4*    C  35           H4*        C  35 -13.150 -30.592 -18.438
  374    H3*    C  35           H3*        C  35 -13.820 -32.801 -19.708
  375    H2*    C  35           H2*        C  35 -14.249 -34.048 -17.598
  376   2HO*    C  35          2HO*        C  35 -11.930 -35.209 -17.442
  377    H1*    C  35           H1*        C  35 -11.472 -32.990 -16.807
  378   1H4     C  35          H41         C  35 -12.746 -36.614 -11.848
  379   2H4     C  35          H42         C  35 -13.813 -35.457 -11.127
  380    H5     C  35           H5         C  35 -14.541 -33.441 -12.493
  381    H6     C  35           H6         C  35 -14.174 -32.298 -14.626
  382    H3T    C  35           H3T        C  35 -11.542 -33.376 -19.583
  383   1H5*    A  36          H5*         A  36 -10.117 -13.653  -8.410
  384   2H5*    A  36          H5**        A  36 -11.839 -13.820  -8.744
  385    H4*    A  36           H4*        A  36 -12.458 -13.300  -6.703
  386    H3*    A  36           H3*        A  36 -10.243 -11.272  -6.385
  387    H2*    A  36           H2*        A  36 -10.986 -11.265  -4.098
  388   2HO*    A  36          2HO*        A  36 -13.140 -11.681  -3.895
  389    H1*    A  36           H1*        A  36 -11.005 -14.073  -4.024
  390    H8     A  36           H8         A  36  -8.048 -13.031  -6.054
  391   1H6     A  36          H61         A  36  -5.093 -12.035  -0.661
  392   2H6     A  36          H62         A  36  -4.849 -12.143  -2.403
  393    H2     A  36           H2         A  36  -9.353 -12.681   0.227
  394    H5T    A  36           H5T        A  36 -11.528 -11.277  -8.383
  395   1H5*    C  37          H5*         C  37 -14.650 -10.574  -5.422
  396   2H5*    C  37          H5**        C  37 -14.960  -8.828  -5.577
  397    H4*    C  37           H4*        C  37 -16.100  -9.838  -3.634
  398    H3*    C  37           H3*        C  37 -14.038  -7.682  -3.136
  399    H2*    C  37           H2*        C  37 -14.514  -7.871  -0.816
  400   2HO*    C  37          2HO*        C  37 -16.908  -8.331  -1.587
  401    H1*    C  37           H1*        C  37 -14.738 -10.680  -0.806
  402   1H4     C  37          H42         C  37  -9.025  -9.562   1.553
  403   2H4     C  37          H41         C  37  -8.303  -9.471  -0.055
  404    H5     C  37           H5         C  37  -9.663  -9.534  -2.059
  405    H6     C  37           H6         C  37 -11.945  -9.705  -2.902
  406   1H5*    U  38          H5*         U  38 -17.805  -6.158  -1.324
  407   2H5*    U  38          H5**        U  38 -17.844  -4.432  -1.696
  408    H4*    U  38           H4*        U  38 -18.112  -4.962   0.698
  409    H3*    U  38           H3*        U  38 -15.798  -3.162  -0.022
  410    H2*    U  38           H2*        U  38 -15.412  -2.986   2.312
  411   2HO*    U  38          2HO*        U  38 -17.227  -2.818   3.462
  412    H1*    U  38           H1*        U  38 -16.120  -5.694   2.881
  413    H3     U  38           H3         U  38 -11.813  -5.297   4.323
  414    H5     U  38           H5         U  38 -11.509  -5.688   0.170
  415    H6     U  38           H6         U  38 -13.910  -5.462   0.046
  416   1H5*    G  39          H5*         G  39 -18.596  -1.427   2.977
  417   2H5*    G  39          H5**        G  39 -18.589   0.325   2.751
  418    H4*    G  39           H4*        G  39 -18.126  -0.351   5.065
  419    H3*    G  39           H3*        G  39 -15.935   1.183   3.678
  420    H2*    G  39           H2*        G  39 -14.892   1.274   5.808
  421   2HO*    G  39          2HO*        G  39 -16.448   1.607   7.332
  422    H1*    G  39           H1*        G  39 -15.558  -1.408   6.459
  423    H8     G  39           H8         G  39 -14.123  -0.604   2.987
  424    H1     G  39           H1         G  39  -9.821  -1.968   7.516
  425   1H2     G  39          H21         G  39 -10.544  -2.162   9.200
  426   2H2     G  39          H22         G  39 -12.098  -2.084   9.829
  427   1H5*    G  40          H5*         G  40 -17.781   3.108   7.164
  428   2H5*    G  40          H5**        G  40 -17.846   4.855   6.905
  429    H4*    G  40           H4*        G  40 -17.026   4.238   9.131
  430    H3*    G  40           H3*        G  40 -15.191   5.866   7.370
  431    H2*    G  40           H2*        G  40 -13.679   5.919   9.224
  432   2HO*    G  40          2HO*        G  40 -15.874   5.912  10.624
  433    H1*    G  40           H1*        G  40 -14.121   3.216  10.008
  434    H8     G  40           H8         G  40 -13.735   3.801   6.263
  435    H1     G  40           H1         G  40  -8.288   2.461   9.375
  436   1H2     G  40          H22         G  40  -8.593   2.470  11.534
  437   2H2     G  40          H21         G  40 -10.189   2.786  12.193
  438   1H5*    C  41          H5*         C  41 -14.406   8.344  10.320
  439   2H5*    C  41          H5**        C  41 -15.592   9.628  10.032
  440    H4*    C  41           H4*        C  41 -14.024  11.096   9.822
  441    H3*    C  41           H3*        C  41 -13.801  10.237   7.292
  442    H2*    C  41           H2*        C  41 -12.234   8.428   7.957
  443   2HO*    C  41          2HO*        C  41 -10.906  10.808   7.038
  444    H1*    C  41           H1*        C  41 -10.926  10.744   9.492
  445   1H4     C  41          H42         C  41  -6.487   6.538  11.020
  446   2H4     C  41          H41         C  41  -7.654   5.306  11.447
  447    H5     C  41           H5         C  41 -10.047   5.665  11.160
  448    H6     C  41           H6         C  41 -11.743   7.278  10.404
  449   1H5*    U  42          H5*         U  42 -12.331  12.149   3.933
  450   2H5*    U  42          H5**        U  42 -11.894  11.071   5.243
  451    H4*    U  42           H4*        U  42 -11.520  13.997   5.643
  452    H3*    U  42           H3*        U  42  -9.660  12.437   3.865
  453    H2*    U  42           H2*        U  42  -7.956  13.836   4.790
  454   2HO*    U  42          2HO*        U  42  -9.861  15.617   4.858
  455    H1*    U  42           H1*        U  42  -9.103  13.831   7.407
  456    H3     U  42           H3         U  42  -5.036  12.036   8.187
  457    H5     U  42           H5         U  42  -7.061   9.014   6.126
  458    H6     U  42           H6         U  42  -8.863  10.574   5.748
  459   1H5*    U  43          H5*         U  43  -8.498  15.620   2.926
  460   2H5*    U  43          H5**        U  43  -8.377  16.030   1.215
  461    H4*    U  43           H4*        U  43  -6.239  15.912   2.585
  462    H3*    U  43           H3*        U  43  -6.443  14.565  -0.110
  463    H2*    U  43           H2*        U  43  -4.067  14.130   0.172
  464   2HO*    U  43          2HO*        U  43  -2.888  15.235   1.646
  465    H1*    U  43           H1*        U  43  -4.381  13.189   2.783
  466    H3     U  43           H3         U  43  -3.589   9.814  -0.340
  467    H5     U  43           H5         U  43  -7.706   9.896   0.396
  468    H6     U  43           H6         U  43  -7.389  11.985   1.544
  469   1H5*    G  44          H5*         G  44  -3.104  15.835  -0.655
  470   2H5*    G  44          H5**        G  44  -3.228  17.336  -1.565
  471    H4*    G  44           H4*        G  44  -2.099  16.609  -3.237
  472    H3*    G  44           H3*        G  44  -3.498  13.942  -3.312
  473    H2*    G  44           H2*        G  44  -1.719  13.310  -4.783
  474   2HO*    G  44          2HO*        G  44  -1.891  15.732  -5.619
  475    H1*    G  44           H1*        G  44   0.176  14.931  -3.378
  476    H8     G  44           H8         G  44  -1.468  12.422  -1.095
  477    H1     G  44           H1         G  44   3.554  10.183  -4.438
  478   1H2     G  44          H21         G  44   4.126  11.383  -5.808
  479   2H2     G  44          H22         G  44   3.541  12.920  -6.220
  480   1H5*    U  45          H5*         U  45  -2.843  15.489  -7.348
  481   2H5*    U  45          H5**        U  45  -4.242  15.010  -8.316
  482    H4*    U  45           H4*        U  45  -2.407  14.302  -9.520
  483    H3*    U  45           H3*        U  45  -3.498  11.888  -8.097
  484    H2*    U  45           H2*        U  45  -1.962  10.659  -9.282
  485   2HO*    U  45          2HO*        U  45  -1.374  11.164 -11.258
  486    H1*    U  45           H1*        U  45   0.079  12.638  -9.172
  487    H3     U  45           H3         U  45   2.292   9.331  -7.174
  488    H5     U  45           H5         U  45  -1.393   9.311  -5.142
  489    H6     U  45           H6         U  45  -2.104  11.102  -6.570
  490   1H5*    G  46          H5*         G  46  -3.648  11.187 -12.404
  491   2H5*    G  46          H5**        G  46  -4.471   9.662 -12.735
  492    H4*    G  46           H4*        G  46  -1.828  10.043 -13.012
  493    H3*    G  46           H3*        G  46  -3.199   7.429 -12.400
  494    H2*    G  46           H2*        G  46  -1.030   6.479 -12.252
  495   2HO*    G  46          2HO*        G  46  -0.474   8.183 -14.162
  496    H1*    G  46           H1*        G  46   0.206   8.796 -11.043
  497    H8     G  46           H8         G  46  -2.859   7.959  -9.207
  498    H1     G  46           H1         G  46   2.155   4.272  -7.694
  499   1H2     G  46          H21         G  46   3.559   4.389  -8.895
  500   2H2     G  46          H22         G  46   3.782   5.300 -10.294
  501   1H5*    G  47          H5*         G  47  -0.474   7.170 -15.891
  502   2H5*    G  47          H5**        G  47  -1.354   6.261 -17.132
  503    H4*    G  47           H4*        G  47   0.899   5.395 -16.840
  504    H3*    G  47           H3*        G  47  -1.350   3.547 -16.068
  505    H2*    G  47           H2*        G  47   0.261   1.912 -15.563
  506   2HO*    G  47          2HO*        G  47   1.803   1.839 -17.088
  507    H1*    G  47           H1*        G  47   2.201   3.736 -14.541
  508    H8     G  47           H8         G  47  -1.365   3.986 -13.204
  509    H1     G  47           H1         G  47   2.604   0.130  -9.924
  510   1H2     G  47          H22         G  47   4.430  -0.152 -10.962
  511   2H2     G  47          H21         G  47   4.717   0.652 -12.494
  512   1H5*    C  48          H5*         C  48   1.122   2.026 -19.181
  513   2H5*    C  48          H5**        C  48   0.333   0.977 -20.373
  514    H4*    C  48           H4*        C  48   2.223  -0.146 -19.322
  515    H3*    C  48           H3*        C  48  -0.499  -1.325 -18.828
  516    H2*    C  48           H2*        C  48   0.498  -2.988 -17.465
  517   2HO*    C  48          2HO*        C  48   2.370  -3.694 -18.320
  518    H1*    C  48           H1*        C  48   2.432  -1.322 -16.283
  519   1H4     C  48          H42         C  48  -1.871  -1.600 -11.681
  520   2H4     C  48          H41         C  48  -2.997  -0.586 -12.576
  521    H5     C  48           H5         C  48  -2.554   0.145 -14.824
  522    H6     C  48           H6         C  48  -0.958   0.070 -16.652
  523   1H5*    G  49          H5*         G  49   2.825  -3.195 -20.893
  524   2H5*    G  49          H5**        G  49   2.637  -4.656 -21.857
  525    H4*    G  49           H4*        G  49   4.361  -4.321 -19.810
  526    H3*    G  49           H3*        G  49   4.253  -6.308 -21.526
  527    H2*    G  49           H2*        G  49   2.114  -7.171 -20.611
  528   2HO*    G  49          2HO*        G  49   4.471  -8.537 -19.911
  529    H1*    G  49           H1*        G  49   3.533  -7.049 -17.876
  530    H8     G  49           H8         G  49   0.181  -5.454 -18.542
  531    H1     G  49           H1         G  49  -0.241 -11.196 -15.697
  532   1H2     G  49          H21         G  49   1.713 -12.187 -15.722
  533   2H2     G  49          H22         G  49   3.120 -11.425 -16.444
  534    H3T    G  49           H3T        G  49   5.461  -6.038 -19.095
  Start of MODEL   10
    1   1H5*    G   1          H5*         G   1  -7.540 -38.148  -4.548
    2   2H5*    G   1          H5**        G   1  -6.085 -37.215  -4.199
    3    H4*    G   1           H4*        G   1  -5.827 -37.892  -6.340
    4    H3*    G   1           H3*        G   1  -5.862 -35.171  -5.952
    5    H2*    G   1           H2*        G   1  -7.736 -34.573  -7.170
    6   2HO*    G   1          2HO*        G   1  -7.395 -34.628  -9.502
    7    H1*    G   1           H1*        G   1  -7.745 -36.968  -9.005
    8    H8     G   1           H8         G   1 -10.007 -36.663  -6.029
    9    H1     G   1           H1         G   1 -12.632 -34.641 -11.496
   10   1H2     G   1          H21         G   1 -11.457 -34.515 -12.916
   11   2H2     G   1          H22         G   1  -9.819 -34.805 -13.099
   12    H5T    G   1           H5T        G   1  -7.362 -35.658  -3.652
   13   1H5*    G   2          H5*         G   2  -3.479 -34.450  -9.704
   14   2H5*    G   2          H5**        G   2  -2.251 -33.393  -9.000
   15    H4*    G   2           H4*        G   2  -3.311 -32.078 -10.559
   16    H3*    G   2           H3*        G   2  -4.578 -31.332  -7.917
   17    H2*    G   2           H2*        G   2  -5.678 -29.623  -9.184
   18   2HO*    G   2          2HO*        G   2  -4.556 -28.786 -10.824
   19    H1*    G   2           H1*        G   2  -6.130 -31.350 -11.388
   20    H8     G   2           H8         G   2  -6.926 -32.499  -7.786
   21    H1     G   2           H1         G   2 -11.788 -30.071 -11.189
   22   1H2     G   2          H22         G   2 -11.052 -29.285 -13.092
   23   2H2     G   2          H21         G   2  -9.344 -29.370 -13.508
   24   1H5*    A   3          H5*         A   3  -2.347 -28.365 -10.252
   25   2H5*    A   3          H5**        A   3  -1.832 -26.947  -9.327
   26    H4*    A   3           H4*        A   3  -3.098 -26.452 -11.433
   27    H3*    A   3           H3*        A   3  -4.034 -25.322  -8.809
   28    H2*    A   3           H2*        A   3  -5.829 -24.296  -9.970
   29   2HO*    A   3          2HO*        A   3  -5.055 -23.378 -11.798
   30    H1*    A   3           H1*        A   3  -6.135 -26.351 -11.903
   31    H8     A   3           H8         A   3  -6.243 -27.333  -8.187
   32   1H6     A   3          H61         A   3 -12.427 -27.020  -9.077
   33   2H6     A   3          H62         A   3 -11.344 -27.442  -7.853
   34    H2     A   3           H2         A   3 -10.466 -25.515 -12.663
   35   1H5*    C   4          H5*         C   4  -3.072 -22.762 -11.957
   36   2H5*    C   4          H5**        C   4  -2.282 -21.207 -11.646
   37    H4*    C   4           H4*        C   4  -4.313 -20.981 -13.029
   38    H3*    C   4           H3*        C   4  -4.014 -19.561 -10.432
   39    H2*    C   4           H2*        C   4  -6.210 -18.884 -10.355
   40   2HO*    C   4          2HO*        C   4  -6.530 -17.861 -12.268
   41    H1*    C   4           H1*        C   4  -7.387 -20.979 -11.896
   42   1H4     C   4          H41         C   4  -9.835 -21.561  -6.244
   43   2H4     C   4          H42         C   4  -8.642 -22.560  -5.538
   44    H5     C   4           H5         C   4  -6.400 -22.851  -6.995
   45    H6     C   4           H6         C   4  -5.456 -22.285  -9.157
   46   1H5*    C   5          H5*         C   5  -5.155 -16.794 -13.315
   47   2H5*    C   5          H5**        C   5  -4.240 -15.274 -13.323
   48    H4*    C   5           H4*        C   5  -6.642 -14.862 -12.965
   49    H3*    C   5           H3*        C   5  -4.590 -14.007 -11.398
   50    H2*    C   5           H2*        C   5  -5.133 -14.698  -9.308
   51   2HO*    C   5          2HO*        C   5  -6.965 -12.746  -9.877
   52    H1*    C   5           H1*        C   5  -8.042 -15.283 -10.068
   53   1H4     C   5          H42         C   5  -6.986 -19.080  -4.939
   54   2H4     C   5          H41         C   5  -5.326 -19.237  -5.457
   55    H5     C   5           H5         C   5  -4.356 -18.209  -7.379
   56    H6     C   5           H6         C   5  -4.767 -16.833  -9.297
   57   1H5*    C   6          H5*         C   6  -5.620 -11.382  -8.542
   58   2H5*    C   6          H5**        C   6  -4.672  -9.981  -8.993
   59    H4*    C   6           H4*        C   6  -4.221 -11.309  -6.785
   60    H3*    C   6           H3*        C   6  -2.865  -9.243  -7.624
   61    H2*    C   6           H2*        C   6  -1.938 -10.652  -9.505
   62   2HO*    C   6          2HO*        C   6  -0.207  -9.716  -7.583
   63    H1*    C   6           H1*        C   6  -0.926 -12.458  -7.229
   64   1H4     C   6          H41         C   6   1.327 -15.209 -12.612
   65   2H4     C   6          H42         C   6  -0.336 -15.528 -13.109
   66    H5     C   6           H5         C   6  -2.263 -14.724 -11.864
   67    H6     C   6           H6         C   6  -2.883 -13.407  -9.866
   68   1H5*    G   7          H5*         G   7   1.033 -10.620  -6.163
   69   2H5*    G   7          H5**        G   7   1.444  -9.460  -4.888
   70    H4*    G   7           H4*        G   7   3.124  -9.655  -6.732
   71    H3*    G   7           H3*        G   7   2.004  -7.113  -5.735
   72    H2*    G   7           H2*        G   7   2.656  -5.844  -7.542
   73   2HO*    G   7          2HO*        G   7   4.900  -6.457  -7.336
   74    H1*    G   7           H1*        G   7   2.849  -7.875  -9.546
   75    H8     G   7           H8         G   7  -0.664  -7.879  -8.416
   76    H1     G   7           H1         G   7   0.722  -2.948 -12.274
   77   1H2     G   7          H22         G   7   2.852  -2.745 -12.519
   78   2H2     G   7          H21         G   7   3.985  -3.812 -11.699
   79   1H5*    C   8          H5*         C   8   6.589  -6.998  -6.427
   80   2H5*    C   8          H5**        C   8   7.172  -6.097  -5.016
   81    H4*    C   8           H4*        C   8   8.033  -5.314  -7.237
   82    H3*    C   8           H3*        C   8   6.683  -3.372  -5.359
   83    H2*    C   8           H2*        C   8   7.139  -1.676  -6.959
   84   2HO*    C   8          2HO*        C   8   9.245  -3.047  -7.531
   85    H1*    C   8           H1*        C   8   6.466  -3.181  -9.197
   86   1H4     C   8          H41         C   8   1.565   0.472  -7.842
   87   2H4     C   8          H42         C   8   0.581  -0.825  -7.278
   88    H5     C   8           H5         C   8   1.769  -3.129  -6.878
   89    H6     C   8           H6         C   8   3.904  -4.255  -7.156
   90   1H5*    C   9          H5*         C   9   9.993  -1.375  -6.678
   91   2H5*    C   9          H5**        C   9  10.645  -0.397  -5.370
   92    H4*    C   9           H4*        C   9   9.914   0.848  -7.385
   93    H3*    C   9           H3*        C   9   8.860   1.671  -4.700
   94    H2*    C   9           H2*        C   9   7.762   3.436  -5.806
   95   2HO*    C   9          2HO*        C   9   9.184   4.347  -7.224
   96    H1*    C   9           H1*        C   9   7.212   1.966  -8.205
   97   1H4     C   9          H42         C   9   1.398   2.470  -5.447
   98   2H4     C   9          H41         C   9   1.949   1.341  -4.245
   99    H5     C   9           H5         C   9   4.149   0.477  -4.037
  100    H6     C   9           H6         C   9   6.389   0.444  -4.996
  101   1H5*    A  10          H5*         A  10  11.657   4.449  -6.695
  102   2H5*    A  10          H5**        A  10  12.472   5.563  -5.586
  103    H4*    A  10           H4*        A  10  11.323   6.776  -7.347
  104    H3*    A  10           H3*        A  10  10.196   7.206  -4.584
  105    H2*    A  10           H2*        A  10   8.637   8.707  -5.590
  106   2HO*    A  10          2HO*        A  10   9.614   9.964  -7.050
  107    H1*    A  10           H1*        A  10   8.424   7.268  -8.008
  108    H8     A  10           H8         A  10   7.713   5.351  -4.710
  109   1H6     A  10          H61         A  10   1.788   6.458  -6.276
  110   2H6     A  10          H62         A  10   2.616   5.620  -5.066
  111    H2     A  10           H2         A  10   4.241   8.597  -9.044
  112   1H5*    C  11          H5*         C  11  11.717  10.511  -6.712
  113   2H5*    C  11          H5**        C  11  12.328  11.945  -5.877
  114    H4*    C  11           H4*        C  11  10.467  12.355  -7.507
  115    H3*    C  11           H3*        C  11  10.458  13.383  -4.730
  116    H2*    C  11           H2*        C  11   8.165  13.959  -4.792
  117   2HO*    C  11          2HO*        C  11   8.865  14.693  -7.230
  118    H1*    C  11           H1*        C  11   7.296  12.063  -6.765
  119   1H4     C  11          H42         C  11   4.342   9.998  -1.493
  120   2H4     C  11          H41         C  11   5.785   9.111  -1.073
  121    H5     C  11           H5         C  11   7.872   9.260  -2.300
  122    H6     C  11           H6         C  11   8.986  10.327  -4.138
  123   1H5*    U  12          H5*         U  12   8.711  16.649  -5.958
  124   2H5*    U  12          H5**        U  12   9.985  17.881  -6.040
  125    H4*    U  12           H4*        U  12   8.240  18.830  -4.806
  126    H3*    U  12           H3*        U  12  10.532  17.987  -3.041
  127    H2*    U  12           H2*        U  12   9.336  18.929  -1.227
  128   2HO*    U  12          2HO*        U  12   8.406  20.653  -2.794
  129    H1*    U  12           H1*        U  12   6.926  17.747  -1.830
  130    H3     U  12           H3         U  12   9.267  15.843   1.786
  131    H5     U  12           H5         U  12   9.943  13.459  -1.590
  132    H6     U  12           H6         U  12   8.961  15.203  -2.928
  133   1H5*    G  13          H5*         G  13  10.626  22.243  -2.618
  134   2H5*    G  13          H5**        G  13  12.092  22.758  -1.789
  135    H4*    G  13           H4*        G  13   9.690  22.395  -0.643
  136    H3*    G  13           H3*        G  13  12.056  23.214   0.455
  137    H2*    G  13           H2*        G  13  12.794  21.162   1.369
  138   2HO*    G  13          2HO*        G  13  11.476  20.665   3.366
  139    H1*    G  13           H1*        G  13   9.985  20.125   1.800
  140    H8     G  13           H8         G  13  11.936  18.487  -0.879
  141    H1     G  13           H1         G  13  13.224  16.145   4.939
  142   1H2     G  13          H21         G  13  12.558  17.174   6.320
  143   2H2     G  13          H22         G  13  11.672  18.602   6.356
  144   1H5*    C  14          H5*         C  14   9.614  23.055   4.111
  145   2H5*    C  14          H5**        C  14   9.527  24.716   4.715
  146    H4*    C  14           H4*        C  14  10.157  23.485   6.539
  147    H3*    C  14           H3*        C  14  12.697  24.705   5.484
  148    H2*    C  14           H2*        C  14  13.740  23.779   7.364
  149   2HO*    C  14          2HO*        C  14  12.602  23.917   9.180
  150    H1*    C  14           H1*        C  14  12.050  21.437   7.343
  151   1H4     C  14          H41         C  14  17.943  19.650   6.357
  152   2H4     C  14          H42         C  14  17.801  19.371   4.703
  153    H5     C  14           H5         C  14  15.533  20.300   3.579
  154    H6     C  14           H6         C  14  13.410  21.362   4.149
  155   1H5*    A  15          H5*         A  15  11.809  25.848   9.775
  156   2H5*    A  15          H5**        A  15  12.608  27.407  10.022
  157    H4*    A  15           H4*        A  15  13.227  25.746  11.699
  158    H3*    A  15           H3*        A  15  15.499  26.782   9.986
  159    H2*    A  15           H2*        A  15  16.933  25.553  11.480
  160   2HO*    A  15          2HO*        A  15  15.017  26.047  13.220
  161    H1*    A  15           H1*        A  15  15.258  23.330  11.604
  162    H8     A  15           H8         A  15  15.909  24.939   8.142
  163   1H6     A  15          H62         A  15  20.247  20.499   7.640
  164   2H6     A  15          H61         A  15  19.427  21.802   6.781
  165    H2     A  15           H2         A  15  18.550  20.319  11.719
  166   1H5*    G  16          H5*         G  16  16.746  27.259  14.016
  167   2H5*    G  16          H5**        G  16  17.366  28.919  14.100
  168    H4*    G  16           H4*        G  16  19.044  27.510  14.960
  169    H3*    G  16           H3*        G  16  19.735  28.385  12.154
  170    H2*    G  16           H2*        G  16  21.879  27.449  12.593
  171   2HO*    G  16          2HO*        G  16  21.813  28.102  14.899
  172    H1*    G  16           H1*        G  16  20.705  25.043  13.662
  173    H8     G  16           H8         G  16  19.272  27.006  10.708
  174    H1     G  16           H1         G  16  22.799  21.884   9.134
  175   1H2     G  16          H22         G  16  23.673  21.008  10.917
  176   2H2     G  16          H21         G  16  23.381  21.682  12.512
  177   1H5*    A  17          H5*         A  17  23.753  30.795  12.590
  178   2H5*    A  17          H5**        A  17  22.675  29.415  12.837
  179    H4*    A  17           H4*        A  17  24.012  31.155  14.867
  180    H3*    A  17           H3*        A  17  24.362  28.194  14.403
  181    H2*    A  17           H2*        A  17  24.904  28.085  16.710
  182   2HO*    A  17          2HO*        A  17  26.075  30.326  16.278
  183    H1*    A  17           H1*        A  17  23.109  30.256  17.344
  184    H8     A  17           H8         A  17  20.399  28.523  16.446
  185   1H6     A  17          H62         A  17  21.070  24.372  21.021
  186   2H6     A  17          H61         A  17  19.928  25.041  19.860
  187    H2     A  17           H2         A  17  24.938  26.426  20.481
  188   1H5*    G  18          H5*         G  18  27.158  25.506  13.615
  189   2H5*    G  18          H5**        G  18  25.497  26.076  13.856
  190    H4*    G  18           H4*        G  18  27.262  25.543  16.210
  191    H3*    G  18           H3*        G  18  25.759  23.407  14.685
  192    H2*    G  18           H2*        G  18  25.357  22.398  16.822
  193   2HO*    G  18          2HO*        G  18  27.705  23.346  17.409
  194    H1*    G  18           H1*        G  18  24.974  24.882  18.141
  195    H8     G  18           H8         G  18  22.755  25.250  15.316
  196    H1     G  18           H1         G  18  20.527  20.874  19.448
  197   1H2     G  18          H21         G  18  22.123  20.271  20.841
  198   2H2     G  18          H22         G  18  23.725  20.976  20.720
  199   1H5*    A  19          H5*         A  19  27.527  20.976  17.186
  200   2H5*    A  19          H5**        A  19  28.241  19.632  16.284
  201    H4*    A  19           H4*        A  19  26.713  18.690  17.777
  202    H3*    A  19           H3*        A  19  25.618  18.641  14.962
  203    H2*    A  19           H2*        A  19  23.743  17.436  15.887
  204   2HO*    A  19          2HO*        A  19  25.439  16.589  17.659
  205    H1*    A  19           H1*        A  19  23.317  19.132  17.938
  206    H8     A  19           H8         A  19  24.704  21.035  15.001
  207   1H6     A  19          H62         A  19  18.858  21.927  13.198
  208   2H6     A  19          H61         A  19  20.537  22.371  12.907
  209    H2     A  19           H2         A  19  18.822  19.017  16.550
  210   1H5*    U  20          H5*         U  20  25.069  15.051  15.462
  211   2H5*    U  20          H5**        U  20  25.039  14.175  13.931
  212    H4*    U  20           H4*        U  20  22.861  15.150  15.201
  213    H3*    U  20           H3*        U  20  23.139  14.629  12.244
  214    H2*    U  20           H2*        U  20  20.887  15.350  12.099
  215   2HO*    U  20          2HO*        U  20  19.594  14.886  13.718
  216    H1*    U  20           H1*        U  20  21.202  17.447  13.999
  217    H3     U  20           H3         U  20  19.992  19.016   9.801
  218    H5     U  20           H5         U  20  24.172  19.039   9.943
  219    H6     U  20           H6         U  20  24.029  17.778  12.023
  220   1H5*    G  21          H5*         G  21  19.938  12.253  14.224
  221   2H5*    G  21          H5**        G  21  19.089  11.171  13.125
  222    H4*    G  21           H4*        G  21  18.069  13.390  14.214
  223    H3*    G  21           H3*        G  21  16.995  11.616  12.361
  224    H2*    G  21           H2*        G  21  17.023  13.027  10.461
  225   2HO*    G  21          2HO*        G  21  14.869  13.638  11.969
  226    H1*    G  21           H1*        G  21  17.066  15.543  12.116
  227    H8     G  21           H8         G  21  19.825  14.042   9.889
  228    H1     G  21           H1         G  21  16.520  19.004   7.487
  229   1H2     G  21          H22         G  21  14.927  19.556   8.794
  230   2H2     G  21          H21         G  21  14.636  18.654  10.268
  231   1H5*    C  22          H5*         C  22  13.660  14.503  13.912
  232   2H5*    C  22          H5**        C  22  12.285  13.435  14.229
  233    H4*    C  22           H4*        C  22  11.552  15.354  13.018
  234    H3*    C  22           H3*        C  22  11.391  12.850  11.363
  235    H2*    C  22           H2*        C  22  10.388  14.179   9.701
  236   2HO*    C  22          2HO*        C  22   8.930  15.559  10.527
  237    H1*    C  22           H1*        C  22  11.990  16.494  10.281
  238   1H4     C  22          H42         C  22  14.185  14.481   4.631
  239   2H4     C  22          H41         C  22  14.735  13.008   5.380
  240    H5     C  22           H5         C  22  14.400  12.425   7.669
  241    H6     C  22           H6         C  22  13.430  13.127   9.774
  242   1H5*    A  23          H5*         A  23   7.635  14.918  12.341
  243   2H5*    A  23          H5**        A  23   6.235  13.842  12.333
  244    H4*    A  23           H4*        A  23   5.990  15.942  11.038
  245    H3*    A  23           H3*        A  23   4.789  13.592  10.414
  246    H2*    A  23           H2*        A  23   6.426  12.953   8.726
  247   2HO*    A  23          2HO*        A  23   4.343  14.525   7.666
  248    H1*    A  23           H1*        A  23   6.460  15.937   7.945
  249    H8     A  23           H8         A  23   8.911  12.960   8.443
  250   1H6     A  23          H62         A  23  10.948  14.424   2.760
  251   2H6     A  23          H61         A  23  11.174  13.354   4.136
  252    H2     A  23           H2         A  23   7.638  17.193   3.781
  253   1H5*    A  24          H5*         A  24   3.009  12.629   7.581
  254   2H5*    A  24          H5**        A  24   1.492  13.523   7.712
  255    H4*    A  24           H4*        A  24   0.858  11.585   9.357
  256    H3*    A  24           H3*        A  24   2.840  10.168   7.550
  257    H2*    A  24           H2*        A  24   1.367   8.303   7.763
  258   2HO*    A  24          2HO*        A  24   0.830   8.509   9.972
  259    H1*    A  24           H1*        A  24  -0.960   9.920   7.585
  260    H8     A  24           H8         A  24   0.224  11.329   4.676
  261   1H6     A  24          H61         A  24  -0.016   5.950   1.605
  262   2H6     A  24          H62         A  24   0.091   7.696   1.399
  263    H2     A  24           H2         A  24  -0.181   5.030   5.917
  264   1H5*    U  25          H5*         U  25   1.785   8.270  12.061
  265   2H5*    U  25          H5**        U  25   2.784   6.817  12.032
  266    H4*    U  25           H4*        U  25   0.759   6.080  12.712
  267    H3*    U  25           H3*        U  25   0.703   5.384   9.783
  268    H2*    U  25           H2*        U  25  -1.309   4.219  10.373
  269   2HO*    U  25          2HO*        U  25  -1.048   3.263  12.347
  270    H1*    U  25           H1*        U  25  -2.058   6.259  12.222
  271    H3     U  25           H3         U  25  -5.654   6.493   9.599
  272    H5     U  25           H5         U  25  -2.581   7.640   7.005
  273    H6     U  25           H6         U  25  -1.008   7.115   8.760
  274   1H5*    C  26          H5*         C  26   1.169   1.607  12.897
  275   2H5*    C  26          H5**        C  26   1.161   0.174  11.852
  276    H4*    C  26           H4*        C  26  -0.591   0.397  13.783
  277    H3*    C  26           H3*        C  26  -1.242  -0.619  11.019
  278    H2*    C  26           H2*        C  26  -3.537  -0.710  11.661
  279   2HO*    C  26          2HO*        C  26  -2.658  -1.511  13.893
  280    H1*    C  26           H1*        C  26  -3.470   1.584  13.359
  281   1H4     C  26          H41         C  26  -6.579   3.966   8.565
  282   2H4     C  26          H42         C  26  -5.436   3.734   7.336
  283    H5     C  26           H5         C  26  -3.163   2.637   8.041
  284    H6     C  26           H6         C  26  -2.022   1.590   9.924
  285   1H5*    C  27          H5*         C  27  -2.978  -3.340  14.324
  286   2H5*    C  27          H5**        C  27  -2.930  -4.940  13.581
  287    H4*    C  27           H4*        C  27  -5.142  -3.970  14.567
  288    H3*    C  27           H3*        C  27  -4.950  -5.674  12.087
  289    H2*    C  27           H2*        C  27  -7.320  -5.506  11.927
  290   2HO*    C  27          2HO*        C  27  -7.280  -5.476  14.489
  291    H1*    C  27           H1*        C  27  -7.456  -2.773  12.599
  292   1H4     C  27          H41         C  27  -7.911  -3.130   6.356
  293   2H4     C  27          H42         C  27  -6.312  -2.771   6.002
  294    H5     C  27           H5         C  27  -4.634  -2.795   8.097
  295    H6     C  27           H6         C  27  -4.591  -3.001  10.527
  296   1H5*    A  28          H5*         A  28  -7.846  -7.932  13.997
  297   2H5*    A  28          H5**        A  28  -7.298  -9.614  13.942
  298    H4*    A  28           H4*        A  28  -9.473  -9.346  12.886
  299    H3*    A  28           H3*        A  28  -7.264 -10.199  11.015
  300    H2*    A  28           H2*        A  28  -8.920 -10.357   9.336
  301   2HO*    A  28          2HO*        A  28 -10.818 -11.131   9.985
  302    H1*    A  28           H1*        A  28 -10.384  -8.079  10.198
  303    H8     A  28           H8         A  28  -6.551  -8.221   9.598
  304   1H6     A  28          H62         A  28  -7.929  -5.331   4.280
  305   2H6     A  28          H61         A  28  -6.614  -5.925   5.293
  306    H2     A  28           H2         A  28 -11.733  -6.239   6.368
  307   1H5*    G  29          H5*         G  29 -10.809 -12.953  11.621
  308   2H5*    G  29          H5**        G  29 -10.418 -14.605  11.132
  309    H4*    G  29           H4*        G  29 -12.503 -13.379  10.183
  310    H3*    G  29           H3*        G  29 -11.499 -15.671   9.292
  311    H2*    G  29           H2*        G  29  -9.733 -14.345   8.110
  312   2HO*    G  29          2HO*        G  29 -11.779 -15.452   6.424
  313    H1*    G  29           H1*        G  29 -12.244 -12.883   7.092
  314    H8     G  29           H8         G  29  -8.401 -12.473   7.532
  315    H1     G  29           H1         G  29 -10.968  -9.821   2.294
  316   1H2     G  29          H22         G  29 -13.102 -10.168   2.250
  317   2H2     G  29          H21         G  29 -13.929 -11.058   3.524
  318   1H5*    U  30          H5*         U  30 -13.219 -14.255   5.429
  319   2H5*    U  30          H5**        U  30 -14.769 -15.110   5.423
  320    H4*    U  30           H4*        U  30 -13.801 -14.952   3.203
  321    H3*    U  30           H3*        U  30 -14.143 -17.742   4.302
  322    H2*    U  30           H2*        U  30 -13.469 -18.494   2.141
  323   2HO*    U  30          2HO*        U  30 -14.500 -17.001   0.821
  324    H1*    U  30           H1*        U  30 -11.462 -16.480   1.839
  325    H3     U  30           H3         U  30  -9.919 -21.051   2.340
  326    H5     U  30           H5         U  30  -8.599 -18.584   5.446
  327    H6     U  30           H6         U  30 -10.201 -16.926   4.686
  328   1H5*    G  31          H5*         G  31 -16.047 -15.727   0.348
  329   2H5*    G  31          H5**        G  31 -17.441 -16.747  -0.040
  330    H4*    G  31           H4*        G  31 -16.483 -16.458  -2.059
  331    H3*    G  31           H3*        G  31 -15.379 -19.097  -1.131
  332    H2*    G  31           H2*        G  31 -14.430 -19.246  -3.294
  333   2HO*    G  31          2HO*        G  31 -15.962 -18.547  -4.736
  334    H1*    G  31           H1*        G  31 -13.847 -16.452  -3.436
  335    H8     G  31           H8         G  31 -12.499 -18.257  -0.310
  336    H1     G  31           H1         G  31  -8.727 -18.485  -5.490
  337   1H2     G  31          H21         G  31  -9.520 -17.820  -7.052
  338   2H2     G  31          H22         G  31 -11.044 -17.139  -7.317
  339   1H5*    G  32          H5*         G  32 -18.301 -18.636  -4.380
  340   2H5*    G  32          H5**        G  32 -19.387 -20.013  -4.666
  341    H4*    G  32           H4*        G  32 -18.359 -19.029  -6.743
  342    H3*    G  32           H3*        G  32 -17.974 -21.941  -6.081
  343    H2*    G  32           H2*        G  32 -16.619 -22.181  -7.989
  344   2HO*    G  32          2HO*        G  32 -17.220 -21.073  -9.729
  345    H1*    G  32           H1*        G  32 -15.304 -19.723  -7.769
  346    H8     G  32           H8         G  32 -15.696 -21.892  -4.597
  347    H1     G  32           H1         G  32 -10.281 -22.598  -7.908
  348   1H2     G  32          H21         G  32 -10.302 -21.643  -9.603
  349   2H2     G  32          H22         G  32 -11.457 -20.619 -10.285
  350   1H5*    U  33          H5*         U  33 -19.448 -21.132 -10.291
  351   2H5*    U  33          H5**        U  33 -20.298 -22.575 -10.870
  352    H4*    U  33           H4*        U  33 -18.451 -21.790 -12.340
  353    H3*    U  33           H3*        U  33 -18.366 -24.634 -11.325
  354    H2*    U  33           H2*        U  33 -16.371 -24.909 -12.604
  355   2HO*    U  33          2HO*        U  33 -17.444 -23.358 -14.294
  356    H1*    U  33           H1*        U  33 -15.273 -22.401 -11.974
  357    H3     U  33           H3         U  33 -12.463 -25.298  -9.938
  358    H5     U  33           H5         U  33 -15.857 -25.211  -7.443
  359    H6     U  33           H6         U  33 -16.960 -23.925  -9.141
  360   1H5*    C  34          H5*         C  34 -17.998 -25.071 -15.477
  361   2H5*    C  34          H5**        C  34 -18.836 -26.541 -15.991
  362    H4*    C  34           H4*        C  34 -16.387 -26.510 -16.447
  363    H3*    C  34           H3*        C  34 -17.492 -28.769 -14.790
  364    H2*    C  34           H2*        C  34 -15.313 -29.656 -14.716
  365   2HO*    C  34          2HO*        C  34 -14.150 -29.515 -16.500
  366    H1*    C  34           H1*        C  34 -14.011 -27.106 -14.654
  367   1H4     C  34          H42         C  34 -13.017 -29.713  -9.008
  368   2H4     C  34          H41         C  34 -14.514 -29.042  -8.366
  369    H5     C  34           H5         C  34 -16.117 -27.891  -9.827
  370    H6     C  34           H6         C  34 -16.544 -27.189 -12.138
  371   1H5*    C  35          H5*         C  35 -15.330 -29.730 -18.633
  372   2H5*    C  35          H5**        C  35 -15.645 -31.378 -19.166
  373    H4*    C  35           H4*        C  35 -13.218 -30.358 -18.596
  374    H3*    C  35           H3*        C  35 -13.812 -32.682 -19.690
  375    H2*    C  35           H2*        C  35 -14.683 -33.580 -17.538
  376   2HO*    C  35          2HO*        C  35 -12.097 -34.414 -18.326
  377    H1*    C  35           H1*        C  35 -11.974 -32.588 -16.462
  378   1H4     C  35          H41         C  35 -13.929 -35.354 -11.231
  379   2H4     C  35          H42         C  35 -15.448 -34.672 -11.046
  380    H5     C  35           H5         C  35 -16.248 -33.117 -13.131
  381    H6     C  35           H6         C  35 -15.453 -32.209 -15.253
  382    H3T    C  35           H3T        C  35 -11.791 -32.063 -19.924
  383   1H5*    A  36          H5*         A  36  -9.344 -13.158  -9.902
  384   2H5*    A  36          H5**        A  36 -10.764 -12.119  -9.917
  385    H4*    A  36           H4*        A  36 -11.169 -13.395  -8.106
  386    H3*    A  36           H3*        A  36  -9.806 -10.956  -6.956
  387    H2*    A  36           H2*        A  36 -10.404 -11.853  -4.853
  388   2HO*    A  36          2HO*        A  36 -12.538 -12.681  -5.680
  389    H1*    A  36           H1*        A  36  -9.708 -14.496  -5.610
  390    H8     A  36           H8         A  36  -6.862 -12.680  -6.884
  391   1H6     A  36          H61         A  36  -4.658 -12.199  -1.098
  392   2H6     A  36          H62         A  36  -4.236 -12.013  -2.799
  393    H2     A  36           H2         A  36  -8.871 -13.478  -0.847
  394    H5T    A  36           H5T        A  36  -9.510 -10.457  -8.971
  395   1H5*    C  37          H5*         C  37 -14.134 -10.361  -5.808
  396   2H5*    C  37          H5**        C  37 -14.427  -8.656  -6.185
  397    H4*    C  37           H4*        C  37 -15.160  -9.036  -3.982
  398    H3*    C  37           H3*        C  37 -12.598  -7.453  -3.977
  399    H2*    C  37           H2*        C  37 -12.803  -7.339  -1.645
  400   2HO*    C  37          2HO*        C  37 -14.792  -7.026  -0.884
  401    H1*    C  37           H1*        C  37 -13.978  -9.930  -1.386
  402   1H4     C  37          H42         C  37  -8.379 -10.488   1.334
  403   2H4     C  37          H41         C  37  -7.550 -10.703  -0.208
  404    H5     C  37           H5         C  37  -8.735 -10.435  -2.325
  405    H6     C  37           H6         C  37 -10.906  -9.957  -3.341
  406   1H5*    U  38          H5*         U  38 -16.219  -5.664  -2.086
  407   2H5*    U  38          H5**        U  38 -16.104  -3.905  -2.041
  408    H4*    U  38           H4*        U  38 -16.657  -5.082   0.113
  409    H3*    U  38           H3*        U  38 -14.422  -3.047   0.087
  410    H2*    U  38           H2*        U  38 -14.398  -3.367   2.470
  411   2HO*    U  38          2HO*        U  38 -16.902  -3.660   2.286
  412    H1*    U  38           H1*        U  38 -14.789  -6.168   2.311
  413    H3     U  38           H3         U  38 -10.667  -5.219   4.253
  414    H5     U  38           H5         U  38 -10.006  -5.655   0.140
  415    H6     U  38           H6         U  38 -12.383  -5.616  -0.179
  416   1H5*    G  39          H5*         G  39 -17.388  -1.915   2.920
  417   2H5*    G  39          H5**        G  39 -17.570  -0.157   2.929
  418    H4*    G  39           H4*        G  39 -17.083  -1.079   5.142
  419    H3*    G  39           H3*        G  39 -15.036   0.853   4.039
  420    H2*    G  39           H2*        G  39 -14.016   0.709   6.205
  421   2HO*    G  39          2HO*        G  39 -16.407   0.448   7.090
  422    H1*    G  39           H1*        G  39 -14.426  -2.068   6.458
  423    H8     G  39           H8         G  39 -13.110  -0.966   3.062
  424    H1     G  39           H1         G  39  -8.677  -1.971   7.570
  425   1H2     G  39          H21         G  39  -9.373  -2.281   9.240
  426   2H2     G  39          H22         G  39 -10.939  -2.362   9.842
  427   1H5*    G  40          H5*         G  40 -16.808   2.050   7.838
  428   2H5*    G  40          H5**        G  40 -17.111   3.792   7.804
  429    H4*    G  40           H4*        G  40 -15.953   3.035   9.846
  430    H3*    G  40           H3*        G  40 -14.579   5.074   8.085
  431    H2*    G  40           H2*        G  40 -12.878   5.159   9.838
  432   2HO*    G  40          2HO*        G  40 -14.877   4.757  11.395
  433    H1*    G  40           H1*        G  40 -12.980   2.325  10.321
  434    H8     G  40           H8         G  40 -12.789   3.215   6.632
  435    H1     G  40           H1         G  40  -7.119   2.390   9.554
  436   1H2     G  40          H22         G  40  -7.376   2.260  11.709
  437   2H2     G  40          H21         G  40  -8.984   2.340  12.403
  438   1H5*    C  41          H5*         C  41 -12.734   7.327   8.714
  439   2H5*    C  41          H5**        C  41 -13.745   6.947  10.129
  440    H4*    C  41           H4*        C  41 -14.491   9.481   9.668
  441    H3*    C  41           H3*        C  41 -12.387   9.637   8.047
  442    H2*    C  41           H2*        C  41 -10.896   8.503   9.685
  443   2HO*    C  41          2HO*        C  41 -10.702  11.330   9.570
  444    H1*    C  41           H1*        C  41 -12.221  10.550  11.547
  445   1H4     C  41          H42         C  41  -8.729   8.346  16.263
  446   2H4     C  41          H41         C  41  -8.852   6.674  15.730
  447    H5     C  41           H5         C  41 -10.024   6.072  13.684
  448    H6     C  41           H6         C  41 -11.295   6.977  11.795
  449   1H5*    U  42          H5*         U  42 -11.040  11.493   5.602
  450   2H5*    U  42          H5**        U  42 -10.864  10.947   7.261
  451    H4*    U  42           H4*        U  42 -11.416  13.838   6.744
  452    H3*    U  42           H3*        U  42  -8.747  12.486   6.291
  453    H2*    U  42           H2*        U  42  -7.734  14.420   7.167
  454   2HO*    U  42          2HO*        U  42  -9.741  15.654   6.048
  455    H1*    U  42           H1*        U  42  -9.716  14.805   9.198
  456    H3     U  42           H3         U  42  -6.332  13.869  11.982
  457    H5     U  42           H5         U  42  -6.441  10.490   9.522
  458    H6     U  42           H6         U  42  -8.187  11.566   8.248
  459   1H5*    U  43          H5*         U  43  -6.890  15.212   4.963
  460   2H5*    U  43          H5**        U  43  -7.612  15.341   3.348
  461    H4*    U  43           H4*        U  43  -5.377  15.876   3.065
  462    H3*    U  43           H3*        U  43  -5.769  12.997   2.200
  463    H2*    U  43           H2*        U  43  -3.526  13.215   1.305
  464   2HO*    U  43          2HO*        U  43  -3.842  15.686   1.068
  465    H1*    U  43           H1*        U  43  -2.598  13.958   3.798
  466    H3     U  43           H3         U  43  -2.251   9.365   2.937
  467    H5     U  43           H5         U  43  -5.527   9.923   5.478
  468    H6     U  43           H6         U  43  -5.366  12.286   5.060
  469   1H5*    G  44          H5*         G  44  -4.500  15.260  -1.264
  470   2H5*    G  44          H5**        G  44  -5.712  14.915  -2.500
  471    H4*    G  44           H4*        G  44  -3.884  14.731  -3.714
  472    H3*    G  44           H3*        G  44  -4.010  11.878  -2.739
  473    H2*    G  44           H2*        G  44  -2.316  11.563  -4.420
  474   2HO*    G  44          2HO*        G  44  -2.410  12.893  -6.135
  475    H1*    G  44           H1*        G  44  -1.006  13.920  -3.584
  476    H8     G  44           H8         G  44  -2.246  11.608  -0.808
  477    H1     G  44           H1         G  44   3.509  10.193  -3.265
  478   1H2     G  44          H21         G  44   3.928  11.241  -4.818
  479   2H2     G  44          H22         G  44   3.041  12.463  -5.576
  480   1H5*    U  45          H5*         U  45  -4.583  13.117  -6.699
  481   2H5*    U  45          H5**        U  45  -5.505  12.103  -7.819
  482    H4*    U  45           H4*        U  45  -3.412  12.959  -8.797
  483    H3*    U  45           H3*        U  45  -3.779   9.972  -8.540
  484    H2*    U  45           H2*        U  45  -1.705   9.736  -9.652
  485   2HO*    U  45          2HO*        U  45  -2.394  11.837 -10.970
  486    H1*    U  45           H1*        U  45  -0.407  11.782  -8.365
  487    H3     U  45           H3         U  45   1.926   8.378  -6.605
  488    H5     U  45           H5         U  45  -1.971   7.702  -5.194
  489    H6     U  45           H6         U  45  -2.705   9.563  -6.499
  490   1H5*    G  46          H5*         G  46  -3.190  10.119 -12.276
  491   2H5*    G  46          H5**        G  46  -4.084   8.890 -13.168
  492    H4*    G  46           H4*        G  46  -1.614   8.602 -13.045
  493    H3*    G  46           H3*        G  46  -3.354   6.288 -12.223
  494    H2*    G  46           H2*        G  46  -1.289   5.075 -12.017
  495   2HO*    G  46          2HO*        G  46  -0.006   5.619 -13.714
  496    H1*    G  46           H1*        G  46   0.150   7.327 -10.972
  497    H8     G  46           H8         G  46  -3.046   6.860  -9.153
  498    H1     G  46           H1         G  46   1.915   3.394  -7.034
  499   1H2     G  46          H21         G  46   3.381   3.408  -8.201
  500   2H2     G  46          H22         G  46   3.618   4.190  -9.674
  501   1H5*    G  47          H5*         G  47  -1.174   6.222 -15.944
  502   2H5*    G  47          H5**        G  47  -1.637   5.082 -17.213
  503    H4*    G  47           H4*        G  47   0.728   4.902 -16.490
  504    H3*    G  47           H3*        G  47  -1.060   2.477 -16.368
  505    H2*    G  47           H2*        G  47   0.749   1.275 -15.425
  506   2HO*    G  47          2HO*        G  47   2.161   2.374 -17.135
  507    H1*    G  47           H1*        G  47   1.925   3.430 -14.003
  508    H8     G  47           H8         G  47  -1.794   2.727 -13.411
  509    H1     G  47           H1         G  47   2.313  -0.280  -9.505
  510   1H2     G  47          H22         G  47   4.371   0.046 -10.150
  511   2H2     G  47          H21         G  47   4.693   1.000 -11.588
  512   1H5*    C  48          H5*         C  48   2.098   1.667 -19.362
  513   2H5*    C  48          H5**        C  48   1.477   0.677 -20.697
  514    H4*    C  48           H4*        C  48   3.281  -0.467 -19.539
  515    H3*    C  48           H3*        C  48   0.562  -1.721 -19.449
  516    H2*    C  48           H2*        C  48   1.314  -3.370 -17.933
  517   2HO*    C  48          2HO*        C  48   3.260  -3.914 -19.020
  518    H1*    C  48           H1*        C  48   3.183  -1.792 -16.526
  519   1H4     C  48          H42         C  48  -1.420  -1.806 -12.236
  520   2H4     C  48          H41         C  48  -2.543  -0.946 -13.279
  521    H5     C  48           H5         C  48  -1.971  -0.380 -15.579
  522    H6     C  48           H6         C  48  -0.224  -0.513 -17.261
  523   1H5*    G  49          H5*         G  49   4.376  -3.548 -20.982
  524   2H5*    G  49          H5**        G  49   4.215  -4.989 -21.983
  525    H4*    G  49           H4*        G  49   5.802  -4.736 -19.808
  526    H3*    G  49           H3*        G  49   5.768  -6.699 -21.559
  527    H2*    G  49           H2*        G  49   3.542  -7.515 -20.817
  528   2HO*    G  49          2HO*        G  49   5.803  -8.964 -20.030
  529    H1*    G  49           H1*        G  49   4.764  -7.456 -17.987
  530    H8     G  49           H8         G  49   1.462  -5.864 -19.016
  531    H1     G  49           H1         G  49   0.853 -11.411 -15.832
  532   1H2     G  49          H21         G  49   2.814 -12.365 -15.627
  533   2H2     G  49          H22         G  49   4.269 -11.630 -16.278
  534    H3T    G  49           H3T        G  49   6.648  -6.719 -18.912
  Start of MODEL   11
    1   1H5*    G   1          H5*         G   1 -12.978 -36.181  -7.644
    2   2H5*    G   1          H5**        G   1 -12.033 -37.644  -7.424
    3    H4*    G   1           H4*        G   1 -10.876 -37.400  -9.250
    4    H3*    G   1           H3*        G   1  -9.874 -35.010  -8.363
    5    H2*    G   1           H2*        G   1 -11.343 -33.498  -9.329
    6   2HO*    G   1          2HO*        G   1  -9.389 -34.166 -11.017
    7    H1*    G   1           H1*        G   1 -12.114 -35.182 -11.708
    8    H8     G   1           H8         G   1 -13.907 -34.340  -8.402
    9    H1     G   1           H1         G   1 -16.234 -31.474 -13.604
   10   1H2     G   1          H21         G   1 -15.243 -31.811 -15.165
   11   2H2     G   1          H22         G   1 -13.872 -32.724 -15.504
   12    H5T    G   1           H5T        G   1 -10.288 -36.200  -6.716
   13   1H5*    G   2          H5*         G   2  -7.175 -34.557 -12.103
   14   2H5*    G   2          H5**        G   2  -5.715 -34.054 -11.248
   15    H4*    G   2           H4*        G   2  -6.330 -32.295 -12.698
   16    H3*    G   2           H3*        G   2  -6.957 -31.531  -9.845
   17    H2*    G   2           H2*        G   2  -7.710 -29.454 -10.694
   18   2HO*    G   2          2HO*        G   2  -6.538 -28.612 -12.280
   19    H1*    G   2           H1*        G   2  -8.799 -30.530 -13.110
   20    H8     G   2           H8         G   2  -9.537 -31.631  -9.431
   21    H1     G   2           H1         G   2 -14.119 -28.317 -12.452
   22   1H2     G   2          H22         G   2 -13.419 -27.746 -14.455
   23   2H2     G   2          H21         G   2 -11.807 -28.182 -15.013
   24   1H5*    A   3          H5*         A   3  -4.095 -28.677 -11.983
   25   2H5*    A   3          H5**        A   3  -3.319 -27.682 -10.749
   26    H4*    A   3           H4*        A   3  -4.560 -26.488 -12.595
   27    H3*    A   3           H3*        A   3  -5.107 -25.733  -9.727
   28    H2*    A   3           H2*        A   3  -6.574 -24.065 -10.624
   29   2HO*    A   3          2HO*        A   3  -5.805 -23.107 -12.398
   30    H1*    A   3           H1*        A   3  -7.449 -25.654 -12.798
   31    H8     A   3           H8         A   3  -7.610 -26.913  -9.135
   32   1H6     A   3          H61         A   3 -13.667 -25.487  -9.774
   33   2H6     A   3          H62         A   3 -12.634 -26.140  -8.599
   34    H2     A   3           H2         A   3 -11.609 -24.213 -13.373
   35   1H5*    C   4          H5*         C   4  -3.672 -22.845 -12.649
   36   2H5*    C   4          H5**        C   4  -2.699 -21.516 -12.004
   37    H4*    C   4           H4*        C   4  -4.542 -20.761 -13.461
   38    H3*    C   4           H3*        C   4  -4.402 -19.781 -10.622
   39    H2*    C   4           H2*        C   4  -6.363 -18.491 -11.020
   40   2HO*    C   4          2HO*        C   4  -5.408 -18.377 -13.467
   41    H1*    C   4           H1*        C   4  -7.724 -20.387 -12.522
   42   1H4     C   4          H41         C   4 -10.260 -21.045  -6.921
   43   2H4     C   4          H42         C   4  -9.157 -22.112  -6.189
   44    H5     C   4           H5         C   4  -6.912 -22.514  -7.655
   45    H6     C   4           H6         C   4  -5.923 -21.967  -9.785
   46   1H5*    C   5          H5*         C   5  -4.665 -16.509 -12.698
   47   2H5*    C   5          H5**        C   5  -3.526 -15.194 -12.360
   48    H4*    C   5           H4*        C   5  -5.845 -14.507 -11.929
   49    H3*    C   5           H3*        C   5  -3.733 -14.207 -10.230
   50    H2*    C   5           H2*        C   5  -4.416 -15.422  -8.369
   51   2HO*    C   5          2HO*        C   5  -5.852 -13.097  -8.364
   52    H1*    C   5           H1*        C   5  -7.352 -15.296  -9.240
   53   1H4     C   5          H42         C   5  -7.320 -20.094  -4.960
   54   2H4     C   5          H41         C   5  -5.765 -20.594  -5.581
   55    H5     C   5           H5         C   5  -4.539 -19.498  -7.310
   56    H6     C   5           H6         C   5  -4.548 -17.682  -8.893
   57   1H5*    C   6          H5*         C   6  -4.361 -12.239  -6.949
   58   2H5*    C   6          H5**        C   6  -3.455 -10.767  -7.182
   59    H4*    C   6           H4*        C   6  -2.853 -12.246  -5.279
   60    H3*    C   6           H3*        C   6  -1.311 -10.327  -6.138
   61    H2*    C   6           H2*        C   6  -0.437 -11.721  -8.009
   62   2HO*    C   6          2HO*        C   6   1.249 -10.989  -6.050
   63    H1*    C   6           H1*        C   6   0.185 -13.820  -5.852
   64   1H4     C   6          H41         C   6   1.978 -16.773 -11.232
   65   2H4     C   6          H42         C   6   0.327 -16.669 -11.850
   66    H5     C   6           H5         C   6  -1.450 -15.491 -10.658
   67    H6     C   6           H6         C   6  -1.899 -14.166  -8.639
   68   1H5*    G   7          H5*         G   7   2.556 -11.477  -4.209
   69   2H5*    G   7          H5**        G   7   2.761 -10.067  -3.157
   70    H4*    G   7           H4*        G   7   4.561 -10.428  -4.868
   71    H3*    G   7           H3*        G   7   3.167  -7.762  -4.689
   72    H2*    G   7           H2*        G   7   4.480  -7.033  -6.525
   73   2HO*    G   7          2HO*        G   7   6.331  -8.513  -5.511
   74    H1*    G   7           H1*        G   7   4.392  -9.394  -7.996
   75    H8     G   7           H8         G   7   0.880  -9.033  -7.007
   76    H1     G   7           H1         G   7   2.627  -4.684 -11.397
   77   1H2     G   7          H22         G   7   4.789  -4.629 -11.573
   78   2H2     G   7          H21         G   7   5.824  -5.654 -10.579
   79   1H5*    C   8          H5*         C   8   7.771  -7.332  -4.675
   80   2H5*    C   8          H5**        C   8   8.045  -6.006  -3.544
   81    H4*    C   8           H4*        C   8   9.282  -5.793  -5.637
   82    H3*    C   8           H3*        C   8   7.375  -3.527  -5.022
   83    H2*    C   8           H2*        C   8   8.445  -2.443  -6.913
   84   2HO*    C   8          2HO*        C   8  10.529  -3.771  -6.436
   85    H1*    C   8           H1*        C   8   7.961  -4.587  -8.562
   86   1H4     C   8          H41         C   8   2.745  -0.996  -8.433
   87   2H4     C   8          H42         C   8   1.822  -2.161  -7.626
   88    H5     C   8           H5         C   8   3.105  -4.200  -6.609
   89    H6     C   8           H6         C   8   5.312  -5.226  -6.488
   90   1H5*    C   9          H5*         C   9  11.031  -1.869  -6.165
   91   2H5*    C   9          H5**        C   9  11.443  -0.580  -5.023
   92    H4*    C   9           H4*        C   9  11.389   0.058  -7.464
   93    H3*    C   9           H3*        C   9   9.970   1.608  -5.336
   94    H2*    C   9           H2*        C   9   8.992   3.011  -6.940
   95   2HO*    C   9          2HO*        C   9  10.827   3.488  -8.178
   96    H1*    C   9           H1*        C   9   8.680   1.085  -9.006
   97   1H4     C   9          H42         C   9   2.676   1.686  -6.742
   98   2H4     C   9          H41         C   9   3.186   0.736  -5.378
   99    H5     C   9           H5         C   9   5.369   0.010  -4.921
  100    H6     C   9           H6         C   9   7.654  -0.001  -5.693
  101   1H5*    A  10          H5*         A  10  12.911   4.323  -7.183
  102   2H5*    A  10          H5**        A  10  13.583   5.428  -5.972
  103    H4*    A  10           H4*        A  10  12.483   6.632  -7.795
  104    H3*    A  10           H3*        A  10  11.303   6.958  -5.050
  105    H2*    A  10           H2*        A  10   9.595   8.290  -5.961
  106   2HO*    A  10          2HO*        A  10  10.324   9.747  -7.361
  107    H1*    A  10           H1*        A  10   9.513   7.009  -8.494
  108    H8     A  10           H8         A  10   8.956   4.844  -5.357
  109   1H6     A  10          H61         A  10   2.969   5.842  -6.783
  110   2H6     A  10          H62         A  10   3.785   4.920  -5.640
  111    H2     A  10           H2         A  10   5.288   8.280  -9.366
  112   1H5*    C  11          H5*         C  11  12.362  10.590  -7.167
  113   2H5*    C  11          H5**        C  11  12.848  11.960  -6.153
  114    H4*    C  11           H4*        C  11  10.936  12.368  -7.763
  115    H3*    C  11           H3*        C  11  10.915  13.151  -4.898
  116    H2*    C  11           H2*        C  11   8.608  13.519  -4.843
  117   2HO*    C  11          2HO*        C  11   9.147  14.594  -7.172
  118    H1*    C  11           H1*        C  11   7.827  11.788  -6.995
  119   1H4     C  11          H42         C  11   5.071   9.027  -1.923
  120   2H4     C  11          H41         C  11   6.600   8.273  -1.559
  121    H5     C  11           H5         C  11   8.657   8.710  -2.735
  122    H6     C  11           H6         C  11   9.683  10.001  -4.488
  123   1H5*    U  12          H5*         U  12   8.910  16.560  -5.812
  124   2H5*    U  12          H5**        U  12  10.248  17.708  -6.007
  125    H4*    U  12           H4*        U  12   8.709  18.802  -4.666
  126    H3*    U  12           H3*        U  12  11.011  17.767  -3.022
  127    H2*    U  12           H2*        U  12  10.004  18.742  -1.113
  128   2HO*    U  12          2HO*        U  12   9.045  20.504  -2.753
  129    H1*    U  12           H1*        U  12   7.452  17.822  -1.624
  130    H3     U  12           H3         U  12   9.350  15.431   1.835
  131    H5     U  12           H5         U  12  10.242  13.320  -1.678
  132    H6     U  12           H6         U  12   9.436  15.202  -2.921
  133   1H5*    G  13          H5*         G  13  10.489  21.911  -2.500
  134   2H5*    G  13          H5**        G  13  11.865  22.750  -1.803
  135    H4*    G  13           H4*        G  13   9.546  22.357  -0.572
  136    H3*    G  13           H3*        G  13  11.943  23.427   0.287
  137    H2*    G  13           H2*        G  13  12.666  21.777   1.686
  138   2HO*    G  13          2HO*        G  13  11.464  21.694   3.736
  139    H1*    G  13           H1*        G  13   9.946  20.533   2.215
  140    H8     G  13           H8         G  13  12.593  19.163  -0.091
  141    H1     G  13           H1         G  13  12.827  16.686   5.809
  142   1H2     G  13          H21         G  13  11.720  17.546   7.027
  143   2H2     G  13          H22         G  13  10.654  18.835   6.914
  144   1H5*    C  14          H5*         C  14   8.886  25.287   3.511
  145   2H5*    C  14          H5**        C  14   9.622  26.870   3.776
  146    H4*    C  14           H4*        C  14   9.317  25.652   5.845
  147    H3*    C  14           H3*        C  14  12.197  26.218   5.191
  148    H2*    C  14           H2*        C  14  12.738  25.132   7.234
  149   2HO*    C  14          2HO*        C  14  10.755  26.320   8.200
  150    H1*    C  14           H1*        C  14  10.554  23.265   7.109
  151   1H4     C  14          H41         C  14  15.346  19.434   6.422
  152   2H4     C  14          H42         C  14  16.171  20.197   5.152
  153    H5     C  14           H5         C  14  15.050  22.368   4.161
  154    H6     C  14           H6         C  14  13.182  23.908   4.510
  155   1H5*    A  15          H5*         A  15  10.773  28.012   9.167
  156   2H5*    A  15          H5**        A  15  11.728  29.479   9.429
  157    H4*    A  15           H4*        A  15  11.644  27.935  11.373
  158    H3*    A  15           H3*        A  15  14.336  28.733  10.269
  159    H2*    A  15           H2*        A  15  15.330  27.394  11.958
  160   2HO*    A  15          2HO*        A  15  13.404  28.223  13.424
  161    H1*    A  15           H1*        A  15  13.381  25.337  11.921
  162    H8     A  15           H8         A  15  14.665  26.345   8.491
  163   1H6     A  15          H62         A  15  18.922  21.873   9.314
  164   2H6     A  15          H61         A  15  18.243  22.999   8.156
  165    H2     A  15           H2         A  15  16.735  22.421  13.135
  166   1H5*    G  16          H5*         G  16  14.855  30.042  14.282
  167   2H5*    G  16          H5**        G  16  15.861  31.488  14.176
  168    H4*    G  16           H4*        G  16  16.996  29.795  15.412
  169    H3*    G  16           H3*        G  16  18.338  30.294  12.738
  170    H2*    G  16           H2*        G  16  20.073  28.843  13.699
  171   2HO*    G  16          2HO*        G  16  19.893  28.029  15.813
  172    H1*    G  16           H1*        G  16  18.278  26.878  14.343
  173    H8     G  16           H8         G  16  17.399  29.099  11.411
  174    H1     G  16           H1         G  16  20.646  23.822   9.805
  175   1H2     G  16          H22         G  16  21.289  22.778  11.555
  176   2H2     G  16          H21         G  16  20.929  23.350  13.170
  177   1H5*    A  17          H5*         A  17  22.402  31.145  12.528
  178   2H5*    A  17          H5**        A  17  21.307  30.296  13.589
  179    H4*    A  17           H4*        A  17  22.618  32.896  14.276
  180    H3*    A  17           H3*        A  17  23.404  30.052  14.748
  181    H2*    A  17           H2*        A  17  23.970  30.472  16.947
  182   2HO*    A  17          2HO*        A  17  25.291  32.299  16.654
  183    H1*    A  17           H1*        A  17  22.072  32.636  17.271
  184    H8     A  17           H8         A  17  19.449  30.730  16.895
  185   1H6     A  17          H62         A  17  20.513  27.452  22.077
  186   2H6     A  17          H61         A  17  19.274  27.888  20.903
  187    H2     A  17           H2         A  17  24.285  29.416  20.914
  188   1H5*    G  18          H5*         G  18  26.229  28.246  12.549
  189   2H5*    G  18          H5**        G  18  24.779  29.026  13.176
  190    H4*    G  18           H4*        G  18  26.909  28.167  15.081
  191    H3*    G  18           H3*        G  18  24.925  26.223  13.868
  192    H2*    G  18           H2*        G  18  24.897  25.185  16.010
  193   2HO*    G  18          2HO*        G  18  27.407  26.000  16.101
  194    H1*    G  18           H1*        G  18  25.039  27.652  17.421
  195    H8     G  18           H8         G  18  22.310  27.805  14.787
  196    H1     G  18           H1         G  18  20.577  24.901  20.241
  197   1H2     G  18          H21         G  18  22.341  24.516  21.502
  198   2H2     G  18          H22         G  18  23.947  24.986  20.975
  199   1H5*    A  19          H5*         A  19  27.687  23.592  15.590
  200   2H5*    A  19          H5**        A  19  27.827  22.160  14.565
  201    H4*    A  19           H4*        A  19  27.079  21.556  16.765
  202    H3*    A  19           H3*        A  19  24.969  21.096  14.643
  203    H2*    A  19           H2*        A  19  23.687  20.084  16.418
  204   2HO*    A  19          2HO*        A  19  25.949  19.439  17.446
  205    H1*    A  19           H1*        A  19  24.096  22.149  18.201
  206    H8     A  19           H8         A  19  23.937  23.386  14.614
  207   1H6     A  19          H62         A  19  17.811  23.842  15.433
  208   2H6     A  19          H61         A  19  19.129  24.226  14.336
  209    H2     A  19           H2         A  19  19.505  21.768  18.963
  210   1H5*    U  20          H5*         U  20  24.477  17.823  16.124
  211   2H5*    U  20          H5**        U  20  24.343  16.501  14.954
  212    H4*    U  20           H4*        U  20  22.249  17.127  16.242
  213    H3*    U  20           H3*        U  20  22.152  16.974  13.220
  214    H2*    U  20           H2*        U  20  19.805  17.356  13.444
  215   2HO*    U  20          2HO*        U  20  19.999  16.163  15.726
  216    H1*    U  20           H1*        U  20  20.104  19.474  15.234
  217    H3     U  20           H3         U  20  18.772  21.059  11.167
  218    H5     U  20           H5         U  20  22.925  20.594  10.830
  219    H6     U  20           H6         U  20  22.894  19.487  12.951
  220   1H5*    G  21          H5*         G  21  19.227  14.463  15.044
  221   2H5*    G  21          H5**        G  21  18.599  13.246  13.945
  222    H4*    G  21           H4*        G  21  17.191  15.259  14.973
  223    H3*    G  21           H3*        G  21  16.558  13.293  13.105
  224    H2*    G  21           H2*        G  21  16.400  14.647  11.206
  225   2HO*    G  21          2HO*        G  21  14.106  14.769  12.616
  226    H1*    G  21           H1*        G  21  15.854  17.147  12.843
  227    H8     G  21           H8         G  21  18.997  16.359  10.836
  228    H1     G  21           H1         G  21  14.923  20.457   8.021
  229   1H2     G  21          H22         G  21  13.067  20.552   9.113
  230   2H2     G  21          H21         G  21  12.842  19.616  10.579
  231   1H5*    C  22          H5*         C  22  12.268  14.940  14.646
  232   2H5*    C  22          H5**        C  22  11.350  13.426  14.639
  233    H4*    C  22           H4*        C  22  10.208  15.204  13.422
  234    H3*    C  22           H3*        C  22  10.994  12.816  11.769
  235    H2*    C  22           H2*        C  22   9.983  13.896   9.921
  236   2HO*    C  22          2HO*        C  22   8.076  14.787  10.475
  237    H1*    C  22           H1*        C  22  10.679  16.542  10.762
  238   1H4     C  22          H42         C  22  14.611  15.846   5.805
  239   2H4     C  22          H41         C  22  15.335  14.446   6.558
  240    H5     C  22           H5         C  22  14.626  13.498   8.615
  241    H6     C  22           H6         C  22  13.056  13.685  10.458
  242   1H5*    A  23          H5*         A  23   6.790  14.024  12.167
  243   2H5*    A  23          H5**        A  23   5.644  12.697  11.977
  244    H4*    A  23           H4*        A  23   5.164  14.806  10.722
  245    H3*    A  23           H3*        A  23   4.311  12.365  10.037
  246    H2*    A  23           H2*        A  23   6.290  11.916   8.629
  247   2HO*    A  23          2HO*        A  23   4.173  13.097   7.109
  248    H1*    A  23           H1*        A  23   5.811  14.804   7.646
  249    H8     A  23           H8         A  23   8.835  12.479   8.432
  250   1H6     A  23          H62         A  23  10.867  14.179   2.810
  251   2H6     A  23          H61         A  23  11.238  13.248   4.261
  252    H2     A  23           H2         A  23   6.920  16.095   3.477
  253   1H5*    A  24          H5*         A  24   2.828  11.296   6.919
  254   2H5*    A  24          H5**        A  24   1.178  11.937   7.031
  255    H4*    A  24           H4*        A  24   0.910   9.967   8.716
  256    H3*    A  24           H3*        A  24   3.002   8.746   6.904
  257    H2*    A  24           H2*        A  24   1.797   6.716   7.383
  258   2HO*    A  24          2HO*        A  24   1.358   7.091   9.588
  259    H1*    A  24           H1*        A  24  -0.716   8.041   7.222
  260    H8     A  24           H8         A  24   0.253   9.128   4.021
  261   1H6     A  24          H61         A  24   0.167   3.320   1.864
  262   2H6     A  24          H62         A  24   0.180   5.022   1.409
  263    H2     A  24           H2         A  24   0.226   3.102   6.284
  264   1H5*    U  25          H5*         U  25   2.701   7.336  11.770
  265   2H5*    U  25          H5**        U  25   3.548   5.788  11.781
  266    H4*    U  25           H4*        U  25   1.512   5.456  12.821
  267    H3*    U  25           H3*        U  25   1.304   4.175  10.116
  268    H2*    U  25           H2*        U  25  -0.834   3.435  10.811
  269   2HO*    U  25          2HO*        U  25  -0.178   2.722  12.945
  270    H1*    U  25           H1*        U  25  -1.329   5.768  12.419
  271    H3     U  25           H3         U  25  -5.009   6.371   9.963
  272    H5     U  25           H5         U  25  -2.111   5.851   7.007
  273    H6     U  25           H6         U  25  -0.494   5.486   8.747
  274   1H5*    C  26          H5*         C  26   1.577   0.819  13.850
  275   2H5*    C  26          H5**        C  26   1.704  -0.652  12.868
  276    H4*    C  26           H4*        C  26  -0.082  -0.600  14.696
  277    H3*    C  26           H3*        C  26  -0.716  -1.468  11.880
  278    H2*    C  26           H2*        C  26  -3.005  -1.684  12.522
  279   2HO*    C  26          2HO*        C  26  -2.067  -2.484  14.759
  280    H1*    C  26           H1*        C  26  -3.056   0.527  14.273
  281   1H4     C  26          H41         C  26  -6.071   2.873   9.435
  282   2H4     C  26          H42         C  26  -4.853   2.870   8.272
  283    H5     C  26           H5         C  26  -2.512   1.939   9.071
  284    H6     C  26           H6         C  26  -1.410   0.870  10.970
  285   1H5*    C  27          H5*         C  27  -2.410  -4.348  14.952
  286   2H5*    C  27          H5**        C  27  -2.295  -5.935  14.190
  287    H4*    C  27           H4*        C  27  -4.569  -5.023  15.105
  288    H3*    C  27           H3*        C  27  -4.249  -6.691  12.612
  289    H2*    C  27           H2*        C  27  -6.618  -6.590  12.399
  290   2HO*    C  27          2HO*        C  27  -6.659  -6.627  14.947
  291    H1*    C  27           H1*        C  27  -6.836  -3.864  13.114
  292   1H4     C  27          H41         C  27  -7.232  -4.232   6.866
  293   2H4     C  27          H42         C  27  -5.637  -3.747   6.538
  294    H5     C  27           H5         C  27  -3.998  -3.681   8.640
  295    H6     C  27           H6         C  27  -3.970  -3.900  11.073
  296   1H5*    A  28          H5*         A  28  -7.008  -9.015  14.473
  297   2H5*    A  28          H5**        A  28  -6.514 -10.710  14.372
  298    H4*    A  28           H4*        A  28  -8.674 -10.311  13.308
  299    H3*    A  28           H3*        A  28  -6.505 -11.225  11.419
  300    H2*    A  28           H2*        A  28  -8.205 -11.326   9.773
  301   2HO*    A  28          2HO*        A  28 -10.155 -11.951  10.437
  302    H1*    A  28           H1*        A  28  -9.506  -8.964  10.655
  303    H8     A  28           H8         A  28  -5.697  -9.372   9.977
  304   1H6     A  28          H62         A  28  -7.044  -6.416   4.665
  305   2H6     A  28          H61         A  28  -5.725  -7.087   5.631
  306    H2     A  28           H2         A  28 -10.811  -7.040   6.880
  307   1H5*    G  29          H5*         G  29 -10.142 -13.741  12.142
  308   2H5*    G  29          H5**        G  29  -9.896 -15.431  11.691
  309    H4*    G  29           H4*        G  29 -11.943 -14.117  10.806
  310    H3*    G  29           H3*        G  29 -11.118 -16.465   9.902
  311    H2*    G  29           H2*        G  29  -9.283 -15.252   8.688
  312   2HO*    G  29          2HO*        G  29 -11.413 -16.277   7.062
  313    H1*    G  29           H1*        G  29 -11.732 -13.679   7.674
  314    H8     G  29           H8         G  29  -7.898 -13.335   8.132
  315    H1     G  29           H1         G  29 -10.373 -10.757   2.797
  316   1H2     G  29          H22         G  29 -12.509 -11.108   2.729
  317   2H2     G  29          H21         G  29 -13.339 -11.977   4.007
  318   1H5*    U  30          H5*         U  30 -12.716 -14.820   6.200
  319   2H5*    U  30          H5**        U  30 -14.325 -15.527   6.058
  320    H4*    U  30           H4*        U  30 -13.262 -15.237   3.905
  321    H3*    U  30           H3*        U  30 -13.946 -18.054   4.714
  322    H2*    U  30           H2*        U  30 -13.295 -18.677   2.504
  323   2HO*    U  30          2HO*        U  30 -14.028 -16.875   1.334
  324    H1*    U  30           H1*        U  30 -10.971 -17.043   2.496
  325    H3     U  30           H3         U  30 -10.277 -21.823   2.992
  326    H5     U  30           H5         U  30  -8.881 -19.670   6.293
  327    H6     U  30           H6         U  30 -10.090 -17.740   5.419
  328   1H5*    G  31          H5*         G  31 -15.369 -15.346   1.160
  329   2H5*    G  31          H5**        G  31 -16.882 -16.020   0.534
  330    H4*    G  31           H4*        G  31 -15.707 -15.420  -1.339
  331    H3*    G  31           H3*        G  31 -15.325 -18.387  -1.023
  332    H2*    G  31           H2*        G  31 -14.272 -18.293  -3.142
  333   2HO*    G  31          2HO*        G  31 -15.459 -16.913  -4.414
  334    H1*    G  31           H1*        G  31 -13.030 -15.779  -2.596
  335    H8     G  31           H8         G  31 -12.185 -18.327   0.152
  336    H1     G  31           H1         G  31  -8.752 -18.845  -5.255
  337   1H2     G  31          H21         G  31  -9.405 -17.799  -6.671
  338   2H2     G  31          H22         G  31 -10.699 -16.714  -6.730
  339   1H5*    G  32          H5*         G  32 -17.783 -16.646  -4.285
  340   2H5*    G  32          H5**        G  32 -19.161 -17.682  -4.714
  341    H4*    G  32           H4*        G  32 -18.042 -16.767  -6.703
  342    H3*    G  32           H3*        G  32 -18.029 -19.748  -6.331
  343    H2*    G  32           H2*        G  32 -16.778 -19.984  -8.296
  344   2HO*    G  32          2HO*        G  32 -17.354 -18.652  -9.890
  345    H1*    G  32           H1*        G  32 -15.097 -17.784  -7.908
  346    H8     G  32           H8         G  32 -15.656 -19.882  -4.782
  347    H1     G  32           H1         G  32 -10.934 -21.917  -8.569
  348   1H2     G  32          H21         G  32 -10.883 -21.011 -10.283
  349   2H2     G  32          H22         G  32 -11.821 -19.735 -10.879
  350   1H5*    U  33          H5*         U  33 -19.546 -18.506 -10.273
  351   2H5*    U  33          H5**        U  33 -20.745 -19.662 -10.877
  352    H4*    U  33           H4*        U  33 -18.912 -19.281 -12.457
  353    H3*    U  33           H3*        U  33 -19.249 -22.102 -11.432
  354    H2*    U  33           H2*        U  33 -17.432 -22.717 -12.868
  355   2HO*    U  33          2HO*        U  33 -18.366 -20.797 -14.382
  356    H1*    U  33           H1*        U  33 -15.880 -20.445 -12.349
  357    H3     U  33           H3         U  33 -13.403 -23.734 -10.511
  358    H5     U  33           H5         U  33 -16.526 -23.116  -7.743
  359    H6     U  33           H6         U  33 -17.553 -21.676  -9.367
  360   1H5*    C  34          H5*         C  34 -19.262 -22.038 -15.758
  361   2H5*    C  34          H5**        C  34 -20.401 -23.237 -16.391
  362    H4*    C  34           H4*        C  34 -18.016 -23.438 -17.196
  363    H3*    C  34           H3*        C  34 -19.471 -25.778 -16.001
  364    H2*    C  34           H2*        C  34 -17.511 -27.068 -16.202
  365   2HO*    C  34          2HO*        C  34 -16.631 -26.725 -18.165
  366    H1*    C  34           H1*        C  34 -15.666 -25.011 -15.624
  367   1H4     C  34          H42         C  34 -15.867 -28.756 -10.532
  368   2H4     C  34          H41         C  34 -17.095 -27.730  -9.796
  369    H5     C  34           H5         C  34 -18.128 -25.881 -11.023
  370    H6     C  34           H6         C  34 -18.181 -24.723 -13.153
  371   1H5*    C  35          H5*         C  35 -18.109 -26.243 -20.084
  372   2H5*    C  35          H5**        C  35 -18.827 -27.490 -21.099
  373    H4*    C  35           H4*        C  35 -16.310 -27.508 -20.577
  374    H3*    C  35           H3*        C  35 -17.662 -29.504 -21.670
  375    H2*    C  35           H2*        C  35 -18.512 -30.325 -19.483
  376   2HO*    C  35          2HO*        C  35 -16.661 -32.102 -19.068
  377    H1*    C  35           H1*        C  35 -15.572 -30.057 -18.603
  378   1H4     C  35          H41         C  35 -17.752 -32.322 -13.273
  379   2H4     C  35          H42         C  35 -18.929 -31.142 -12.899
  380    H5     C  35           H5         C  35 -19.407 -29.359 -14.849
  381    H6     C  35           H6         C  35 -18.606 -28.689 -17.061
  382    H3T    C  35           H3T        C  35 -15.664 -30.753 -21.261
  383   1H5*    A  36          H5*         A  36  -8.839 -13.588  -8.178
  384   2H5*    A  36          H5**        A  36 -10.246 -13.027  -9.081
  385    H4*    A  36           H4*        A  36 -11.491 -12.734  -7.274
  386    H3*    A  36           H3*        A  36  -9.110 -11.678  -5.755
  387    H2*    A  36           H2*        A  36 -10.397 -12.050  -3.795
  388   2HO*    A  36          2HO*        A  36 -12.511 -11.581  -4.050
  389    H1*    A  36           H1*        A  36 -11.496 -14.492  -4.734
  390    H8     A  36           H8         A  36  -7.870 -14.774  -5.423
  391   1H6     A  36          H61         A  36  -7.153 -16.358   0.551
  392   2H6     A  36          H62         A  36  -6.330 -16.313  -1.007
  393    H2     A  36           H2         A  36 -11.218 -14.780   0.070
  394    H5T    A  36           H5T        A  36  -9.538 -10.881  -7.990
  395   1H5*    C  37          H5*         C  37 -12.921  -9.961  -5.665
  396   2H5*    C  37          H5**        C  37 -13.233  -8.236  -5.399
  397    H4*    C  37           H4*        C  37 -14.590  -9.687  -3.943
  398    H3*    C  37           H3*        C  37 -12.661  -7.756  -2.653
  399    H2*    C  37           H2*        C  37 -13.513  -8.490  -0.534
  400   2HO*    C  37          2HO*        C  37 -15.709  -8.860  -1.847
  401    H1*    C  37           H1*        C  37 -13.503 -11.204  -1.188
  402   1H4     C  37          H42         C  37  -7.994 -10.341   1.840
  403   2H4     C  37          H41         C  37  -7.179 -10.139   0.289
  404    H5     C  37           H5         C  37  -8.374 -10.014  -1.792
  405    H6     C  37           H6         C  37 -10.560 -10.060  -2.825
  406   1H5*    U  38          H5*         U  38 -15.772  -7.042  -0.664
  407   2H5*    U  38          H5**        U  38 -16.321  -5.373  -0.853
  408    H4*    U  38           H4*        U  38 -16.189  -5.727   1.428
  409    H3*    U  38           H3*        U  38 -13.775  -4.134   0.576
  410    H2*    U  38           H2*        U  38 -13.324  -3.912   2.895
  411   2HO*    U  38          2HO*        U  38 -15.076  -3.692   4.127
  412    H1*    U  38           H1*        U  38 -14.134  -6.568   3.494
  413    H3     U  38           H3         U  38  -9.764  -6.204   4.771
  414    H5     U  38           H5         U  38  -9.644  -6.917   0.642
  415    H6     U  38           H6         U  38 -12.030  -6.592   0.596
  416   1H5*    G  39          H5*         G  39 -16.560  -2.365   3.281
  417   2H5*    G  39          H5**        G  39 -16.561  -0.602   3.311
  418    H4*    G  39           H4*        G  39 -16.231  -1.703   5.523
  419    H3*    G  39           H3*        G  39 -14.210   0.307   4.563
  420    H2*    G  39           H2*        G  39 -13.137   0.061   6.645
  421   2HO*    G  39          2HO*        G  39 -14.606  -0.005   8.252
  422    H1*    G  39           H1*        G  39 -13.627  -2.739   6.881
  423    H8     G  39           H8         G  39 -12.173  -1.400   3.630
  424    H1     G  39           H1         G  39  -7.884  -2.945   8.111
  425   1H2     G  39          H21         G  39  -8.649  -3.391   9.756
  426   2H2     G  39          H22         G  39 -10.230  -3.494  10.311
  427   1H5*    G  40          H5*         G  40 -16.222   1.072   8.430
  428   2H5*    G  40          H5**        G  40 -16.603   2.802   8.493
  429    H4*    G  40           H4*        G  40 -15.528   1.992  10.560
  430    H3*    G  40           H3*        G  40 -14.173   4.131   8.914
  431    H2*    G  40           H2*        G  40 -12.443   4.186  10.579
  432   2HO*    G  40          2HO*        G  40 -14.407   3.763  12.203
  433    H1*    G  40           H1*        G  40 -12.504   1.367  11.117
  434    H8     G  40           H8         G  40 -12.237   2.562   7.471
  435    H1     G  40           H1         G  40  -6.669   1.321  10.437
  436   1H2     G  40          H22         G  40  -6.976   0.936  12.518
  437   2H2     G  40          H21         G  40  -8.591   0.950  13.208
  438   1H5*    C  41          H5*         C  41 -12.453   6.128   9.796
  439   2H5*    C  41          H5**        C  41 -13.522   6.175  11.212
  440    H4*    C  41           H4*        C  41 -13.920   8.641  10.430
  441    H3*    C  41           H3*        C  41 -12.245   8.345   8.439
  442    H2*    C  41           H2*        C  41 -10.544   7.147   9.784
  443   2HO*    C  41          2HO*        C  41 -10.027   9.911   9.386
  444    H1*    C  41           H1*        C  41 -10.811   9.477  11.744
  445   1H4     C  41          H42         C  41  -7.002   6.017  15.337
  446   2H4     C  41          H41         C  41  -7.984   4.566  15.161
  447    H5     C  41           H5         C  41  -9.935   4.531  13.719
  448    H6     C  41           H6         C  41 -11.297   5.883  12.196
  449   1H5*    U  42          H5*         U  42 -11.136   9.695   5.560
  450   2H5*    U  42          H5**        U  42 -10.644   9.457   7.232
  451    H4*    U  42           H4*        U  42 -11.132  12.215   6.170
  452    H3*    U  42           H3*        U  42  -8.612  10.595   5.759
  453    H2*    U  42           H2*        U  42  -7.413  12.607   6.025
  454   2HO*    U  42          2HO*        U  42  -9.455  13.706   4.849
  455    H1*    U  42           H1*        U  42  -9.133  13.595   8.092
  456    H3     U  42           H3         U  42  -5.515  13.176  10.696
  457    H5     U  42           H5         U  42  -6.011   9.302   9.200
  458    H6     U  42           H6         U  42  -7.830  10.130   7.855
  459   1H5*    U  43          H5*         U  43  -6.678  13.022   3.869
  460   2H5*    U  43          H5**        U  43  -7.583  12.866   2.353
  461    H4*    U  43           H4*        U  43  -5.388  13.191   1.699
  462    H3*    U  43           H3*        U  43  -5.957  10.217   1.570
  463    H2*    U  43           H2*        U  43  -3.832  10.083   0.448
  464   2HO*    U  43          2HO*        U  43  -3.007  11.874  -0.480
  465    H1*    U  43           H1*        U  43  -2.583  11.461   2.481
  466    H3     U  43           H3         U  43  -1.941   6.902   2.753
  467    H5     U  43           H5         U  43  -5.222   7.758   5.210
  468    H6     U  43           H6         U  43  -5.245   9.985   4.272
  469   1H5*    G  44          H5*         G  44  -4.907  12.594  -1.800
  470   2H5*    G  44          H5**        G  44  -5.844  12.113  -3.213
  471    H4*    G  44           H4*        G  44  -3.842  12.622  -4.069
  472    H3*    G  44           H3*        G  44  -3.724   9.628  -3.823
  473    H2*    G  44           H2*        G  44  -1.748   9.855  -5.141
  474   2HO*    G  44          2HO*        G  44  -1.887  11.444  -6.638
  475    H1*    G  44           H1*        G  44  -0.975  12.214  -3.754
  476    H8     G  44           H8         G  44  -1.872   9.151  -1.623
  477    H1     G  44           H1         G  44   4.223   9.624  -3.564
  478   1H2     G  44          H21         G  44   4.507  11.024  -4.789
  479   2H2     G  44          H22         G  44   3.472  12.155  -5.474
  480   1H5*    U  45          H5*         U  45  -3.893  11.737  -7.504
  481   2H5*    U  45          H5**        U  45  -4.694  10.915  -8.854
  482    H4*    U  45           H4*        U  45  -2.631  11.924  -9.604
  483    H3*    U  45           H3*        U  45  -2.701   8.901  -9.575
  484    H2*    U  45           H2*        U  45  -0.546   8.934 -10.525
  485   2HO*    U  45          2HO*        U  45  -1.343  11.046 -11.770
  486    H1*    U  45           H1*        U  45   0.441  11.030  -8.986
  487    H3     U  45           H3         U  45   2.938   7.796  -7.099
  488    H5     U  45           H5         U  45  -0.986   6.521  -6.369
  489    H6     U  45           H6         U  45  -1.773   8.385  -7.626
  490   1H5*    G  46          H5*         G  46  -1.907   9.274 -13.313
  491   2H5*    G  46          H5**        G  46  -2.700   8.015 -14.266
  492    H4*    G  46           H4*        G  46  -0.230   7.831 -14.125
  493    H3*    G  46           H3*        G  46  -1.839   5.462 -13.175
  494    H2*    G  46           H2*        G  46   0.263   4.364 -12.935
  495   2HO*    G  46          2HO*        G  46   1.649   4.846 -14.527
  496    H1*    G  46           H1*        G  46   1.587   6.708 -11.955
  497    H8     G  46           H8         G  46  -1.684   6.021 -10.215
  498    H1     G  46           H1         G  46   3.467   2.956  -7.924
  499   1H2     G  46          H21         G  46   4.962   3.102  -9.025
  500   2H2     G  46          H22         G  46   5.216   3.879 -10.497
  501   1H5*    G  47          H5*         G  47   0.716   4.989 -16.616
  502   2H5*    G  47          H5**        G  47   0.239   3.705 -17.733
  503    H4*    G  47           H4*        G  47   2.587   3.574 -16.958
  504    H3*    G  47           H3*        G  47   0.814   1.192 -16.378
  505    H2*    G  47           H2*        G  47   2.811   0.119 -15.623
  506   2HO*    G  47          2HO*        G  47   4.022   1.449 -17.419
  507    H1*    G  47           H1*        G  47   3.749   2.375 -14.226
  508    H8     G  47           H8         G  47   0.020   1.746 -13.845
  509    H1     G  47           H1         G  47   3.803  -1.625  -9.889
  510   1H2     G  47          H22         G  47   5.851  -1.398 -10.387
  511   2H2     G  47          H21         G  47   6.327  -0.418 -11.762
  512   1H5*    C  48          H5*         C  48   4.058  -0.262 -18.663
  513   2H5*    C  48          H5**        C  48   3.486  -1.411 -19.887
  514    H4*    C  48           H4*        C  48   5.231  -2.385 -18.504
  515    H3*    C  48           H3*        C  48   2.515  -3.670 -18.343
  516    H2*    C  48           H2*        C  48   3.392  -5.211 -16.759
  517   2HO*    C  48          2HO*        C  48   5.401  -5.814 -17.431
  518    H1*    C  48           H1*        C  48   5.041  -3.379 -15.399
  519   1H4     C  48          H42         C  48   0.066  -3.534 -11.507
  520   2H4     C  48          H41         C  48  -0.924  -2.618 -12.641
  521    H5     C  48           H5         C  48  -0.153  -2.026 -14.824
  522    H6     C  48           H6         C  48   1.714  -2.153 -16.369
  523   1H5*    G  49          H5*         G  49   6.215  -5.449 -19.873
  524   2H5*    G  49          H5**        G  49   6.193  -6.968 -20.764
  525    H4*    G  49           H4*        G  49   7.672  -6.448 -18.565
  526    H3*    G  49           H3*        G  49   7.812  -8.532 -20.166
  527    H2*    G  49           H2*        G  49   5.591  -9.384 -19.426
  528   2HO*    G  49          2HO*        G  49   7.872 -10.657 -18.320
  529    H1*    G  49           H1*        G  49   6.781  -9.061 -16.594
  530    H8     G  49           H8         G  49   3.418  -7.698 -17.612
  531    H1     G  49           H1         G  49   3.055 -13.203 -14.337
  532   1H2     G  49          H21         G  49   5.022 -14.096 -14.140
  533   2H2     G  49          H22         G  49   6.459 -13.348 -14.813
  534    H3T    G  49           H3T        G  49   9.355  -8.054 -18.587
  Start of MODEL   12
    1   1H5*    G   1          H5*         G   1  -6.274 -39.362  -5.783
    2   2H5*    G   1          H5**        G   1  -4.843 -38.409  -5.394
    3    H4*    G   1           H4*        G   1  -4.765 -38.711  -7.648
    4    H3*    G   1           H3*        G   1  -4.838 -36.113  -6.766
    5    H2*    G   1           H2*        G   1  -6.830 -35.364  -7.679
    6   2HO*    G   1          2HO*        G   1  -4.957 -35.039  -9.440
    7    H1*    G   1           H1*        G   1  -6.985 -37.383  -9.912
    8    H8     G   1           H8         G   1  -8.810 -37.271  -6.553
    9    H1     G   1           H1         G   1 -12.316 -35.577 -11.616
   10   1H2     G   1          H21         G   1 -11.369 -35.486 -13.215
   11   2H2     G   1          H22         G   1  -9.762 -35.710 -13.630
   12    H5T    G   1           H5T        G   1  -6.689 -37.643  -4.295
   13   1H5*    G   2          H5*         G   2  -2.763 -34.845 -10.722
   14   2H5*    G   2          H5**        G   2  -1.560 -33.770  -9.996
   15    H4*    G   2           H4*        G   2  -2.867 -32.477 -11.479
   16    H3*    G   2           H3*        G   2  -3.674 -31.845  -8.634
   17    H2*    G   2           H2*        G   2  -5.049 -30.153  -9.594
   18   2HO*    G   2          2HO*        G   2  -4.272 -29.178 -11.360
   19    H1*    G   2           H1*        G   2  -5.812 -31.790 -11.784
   20    H8     G   2           H8         G   2  -5.964 -33.007  -8.100
   21    H1     G   2           H1         G   2 -11.384 -30.734 -10.673
   22   1H2     G   2          H22         G   2 -10.989 -29.943 -12.673
   23   2H2     G   2          H21         G   2  -9.371 -29.988 -13.352
   24   1H5*    A   3          H5*         A   3  -1.999 -28.795 -11.272
   25   2H5*    A   3          H5**        A   3  -1.262 -27.430 -10.420
   26    H4*    A   3           H4*        A   3  -2.885 -26.798 -12.209
   27    H3*    A   3           H3*        A   3  -3.199 -25.799  -9.408
   28    H2*    A   3           H2*        A   3  -5.216 -24.775  -9.949
   29   2HO*    A   3          2HO*        A   3  -5.073 -23.612 -11.768
   30    H1*    A   3           H1*        A   3  -5.948 -26.586 -12.040
   31    H8     A   3           H8         A   3  -5.446 -27.727  -8.373
   32   1H6     A   3          H61         A   3 -11.714 -27.518  -8.402
   33   2H6     A   3          H62         A   3 -10.498 -27.945  -7.317
   34    H2     A   3           H2         A   3 -10.303 -25.933 -12.159
   35   1H5*    C   4          H5*         C   4  -3.298 -22.828 -12.589
   36   2H5*    C   4          H5**        C   4  -2.488 -21.346 -12.069
   37    H4*    C   4           H4*        C   4  -4.785 -20.995 -12.982
   38    H3*    C   4           H3*        C   4  -3.965 -20.041 -10.274
   39    H2*    C   4           H2*        C   4  -6.109 -19.267  -9.821
   40   2HO*    C   4          2HO*        C   4  -6.654 -18.082 -11.620
   41    H1*    C   4           H1*        C   4  -7.545 -21.208 -11.316
   42   1H4     C   4          H41         C   4  -8.895 -22.304  -5.374
   43   2H4     C   4          H42         C   4  -7.645 -23.353  -4.960
   44    H5     C   4           H5         C   4  -5.679 -23.525  -6.863
   45    H6     C   4           H6         C   4  -5.142 -22.768  -9.119
   46   1H5*    C   5          H5*         C   5  -5.380 -16.954 -12.929
   47   2H5*    C   5          H5**        C   5  -4.407 -15.469 -12.910
   48    H4*    C   5           H4*        C   5  -6.816 -14.994 -12.594
   49    H3*    C   5           H3*        C   5  -4.756 -14.157 -11.021
   50    H2*    C   5           H2*        C   5  -5.331 -14.833  -8.934
   51   2HO*    C   5          2HO*        C   5  -7.057 -12.795  -9.531
   52    H1*    C   5           H1*        C   5  -8.254 -15.366  -9.748
   53   1H4     C   5          H42         C   5  -7.448 -19.097  -4.576
   54   2H4     C   5          H41         C   5  -5.786 -19.357  -5.053
   55    H5     C   5           H5         C   5  -4.725 -18.401  -6.974
   56    H6     C   5           H6         C   5  -5.036 -16.998  -8.895
   57   1H5*    C   6          H5*         C   6  -5.630 -11.451  -8.200
   58   2H5*    C   6          H5**        C   6  -4.693 -10.070  -8.738
   59    H4*    C   6           H4*        C   6  -4.160 -11.277  -6.496
   60    H3*    C   6           H3*        C   6  -2.715  -9.329  -7.487
   61    H2*    C   6           H2*        C   6  -1.960 -10.905  -9.316
   62   2HO*    C   6          2HO*        C   6   0.401 -11.358  -8.307
   63    H1*    C   6           H1*        C   6  -0.973 -12.625  -6.954
   64   1H4     C   6          H41         C   6   1.137 -15.546 -12.271
   65   2H4     C   6          H42         C   6  -0.533 -15.862 -12.742
   66    H5     C   6           H5         C   6  -2.444 -15.006 -11.476
   67    H6     C   6           H6         C   6  -3.011 -13.614  -9.506
   68   1H5*    G   7          H5*         G   7   1.150 -10.551  -6.118
   69   2H5*    G   7          H5**        G   7   1.719  -9.319  -4.992
   70    H4*    G   7           H4*        G   7   3.215  -9.679  -6.903
   71    H3*    G   7           H3*        G   7   2.237  -7.002  -6.162
   72    H2*    G   7           H2*        G   7   2.789  -6.006  -8.159
   73   2HO*    G   7          2HO*        G   7   5.022  -6.614  -8.027
   74    H1*    G   7           H1*        G   7   2.818  -8.262  -9.912
   75    H8     G   7           H8         G   7  -0.598  -8.029  -8.539
   76    H1     G   7           H1         G   7   0.650  -3.577 -13.000
   77   1H2     G   7          H22         G   7   2.745  -3.492 -13.426
   78   2H2     G   7          H21         G   7   3.908  -4.515 -12.586
   79   1H5*    C   8          H5*         C   8   6.900  -7.104  -7.346
   80   2H5*    C   8          H5**        C   8   7.512  -6.014  -6.092
   81    H4*    C   8           H4*        C   8   8.242  -5.573  -8.475
   82    H3*    C   8           H3*        C   8   7.168  -3.370  -6.719
   83    H2*    C   8           H2*        C   8   7.542  -1.878  -8.543
   84   2HO*    C   8          2HO*        C   8   9.512  -3.392  -9.140
   85    H1*    C   8           H1*        C   8   6.535  -3.572 -10.520
   86   1H4     C   8          H41         C   8   1.906   0.374  -8.825
   87   2H4     C   8          H42         C   8   0.943  -0.862  -8.177
   88    H5     C   8           H5         C   8   2.090  -3.196  -7.827
   89    H6     C   8           H6         C   8   4.153  -4.418  -8.260
   90   1H5*    C   9          H5*         C   9  10.491  -1.691  -8.550
   91   2H5*    C   9          H5**        C   9  11.324  -0.676  -7.377
   92    H4*    C   9           H4*        C   9  10.498   0.453  -9.457
   93    H3*    C   9           H3*        C   9   9.810   1.597  -6.760
   94    H2*    C   9           H2*        C   9   8.783   3.382  -7.927
   95   2HO*    C   9          2HO*        C   9  10.295   3.841  -9.534
   96    H1*    C   9           H1*        C   9   7.776   1.767 -10.043
   97   1H4     C   9          H42         C   9   2.579   3.081  -6.473
   98   2H4     C   9          H41         C   9   3.136   1.862  -5.361
   99    H5     C   9           H5         C   9   5.188   0.697  -5.472
  100    H6     C   9           H6         C   9   7.248   0.395  -6.737
  101   1H5*    A  10          H5*         A  10  12.475   4.318  -9.108
  102   2H5*    A  10          H5**        A  10  13.513   5.224  -7.993
  103    H4*    A  10           H4*        A  10  12.356   6.730  -9.496
  104    H3*    A  10           H3*        A  10  11.643   6.930  -6.586
  105    H2*    A  10           H2*        A  10   9.999   8.521  -7.068
  106   2HO*    A  10          2HO*        A  10  11.264   9.898  -8.364
  107    H1*    A  10           H1*        A  10   9.366   7.558  -9.688
  108    H8     A  10           H8         A  10   9.039   5.185  -6.672
  109   1H6     A  10          H61         A  10   3.015   6.774  -7.132
  110   2H6     A  10          H62         A  10   3.896   5.697  -6.188
  111    H2     A  10           H2         A  10   5.150   9.211  -9.834
  112   1H5*    C  11          H5*         C  11  12.801  11.177  -8.739
  113   2H5*    C  11          H5**        C  11  13.475  11.985  -7.310
  114    H4*    C  11           H4*        C  11  11.558  13.098  -8.695
  115    H3*    C  11           H3*        C  11  11.894  13.214  -5.720
  116    H2*    C  11           H2*        C  11   9.747  14.197  -5.485
  117   2HO*    C  11          2HO*        C  11  10.448  15.416  -7.652
  118    H1*    C  11           H1*        C  11   8.463  12.871  -7.631
  119   1H4     C  11          H42         C  11   6.067   9.799  -2.557
  120   2H4     C  11          H41         C  11   7.526   8.851  -2.493
  121    H5     C  11           H5         C  11   9.445   9.199  -3.877
  122    H6     C  11           H6         C  11  10.391  10.568  -5.624
  123   1H5*    U  12          H5*         U  12  10.465  17.116  -6.339
  124   2H5*    U  12          H5**        U  12  11.837  18.142  -5.896
  125    H4*    U  12           H4*        U  12   9.792  18.845  -4.813
  126    H3*    U  12           H3*        U  12  12.080  18.021  -3.054
  127    H2*    U  12           H2*        U  12  10.718  18.478  -1.156
  128   2HO*    U  12          2HO*        U  12   9.704  20.332  -2.542
  129    H1*    U  12           H1*        U  12   8.385  17.300  -2.121
  130    H3     U  12           H3         U  12  10.355  14.787   1.288
  131    H5     U  12           H5         U  12  11.483  13.084  -2.381
  132    H6     U  12           H6         U  12  10.615  15.022  -3.463
  133   1H5*    G  13          H5*         G  13  10.760  21.755  -1.805
  134   2H5*    G  13          H5**        G  13  12.007  22.743  -1.058
  135    H4*    G  13           H4*        G  13   9.921  21.682   0.216
  136    H3*    G  13           H3*        G  13  12.072  23.139   1.119
  137    H2*    G  13           H2*        G  13  13.283  21.525   2.266
  138   2HO*    G  13          2HO*        G  13  11.395  22.436   3.838
  139    H1*    G  13           H1*        G  13  10.989  19.610   2.666
  140    H8     G  13           H8         G  13  13.285  18.818  -0.111
  141    H1     G  13           H1         G  13  15.450  16.704   5.545
  142   1H2     G  13          H21         G  13  14.446  17.477   7.053
  143   2H2     G  13          H22         G  13  13.100  18.527   6.988
  144   1H5*    C  14          H5*         C  14   9.286  23.379   5.008
  145   2H5*    C  14          H5**        C  14   9.532  25.098   5.340
  146    H4*    C  14           H4*        C  14   9.948  23.699   7.269
  147    H3*    C  14           H3*        C  14  12.415  25.178   6.377
  148    H2*    C  14           H2*        C  14  13.388  24.332   8.354
  149   2HO*    C  14          2HO*        C  14  12.190  24.052  10.089
  150    H1*    C  14           H1*        C  14  11.992  21.845   8.150
  151   1H4     C  14          H41         C  14  18.040  20.746   7.549
  152   2H4     C  14          H42         C  14  18.130  20.670   5.866
  153    H5     C  14           H5         C  14  15.899  21.518   4.584
  154    H6     C  14           H6         C  14  13.611  22.276   5.029
  155   1H5*    A  15          H5*         A  15  11.141  26.072  10.515
  156   2H5*    A  15          H5**        A  15  11.882  27.573  11.074
  157    H4*    A  15           H4*        A  15  12.346  25.548  12.465
  158    H3*    A  15           H3*        A  15  14.689  27.154  11.430
  159    H2*    A  15           H2*        A  15  16.050  25.706  12.762
  160   2HO*    A  15          2HO*        A  15  14.190  25.737  14.451
  161    H1*    A  15           H1*        A  15  14.561  23.387  12.184
  162    H8     A  15           H8         A  15  15.670  25.777   9.350
  163   1H6     A  15          H62         A  15  20.366  21.715   8.710
  164   2H6     A  15          H61         A  15  19.627  23.158   8.005
  165    H2     A  15           H2         A  15  17.979  20.536  12.231
  166   1H5*    G  16          H5*         G  16  15.455  26.897  15.714
  167   2H5*    G  16          H5**        G  16  16.025  28.528  16.091
  168    H4*    G  16           H4*        G  16  17.628  26.931  16.808
  169    H3*    G  16           H3*        G  16  18.668  28.467  14.414
  170    H2*    G  16           H2*        G  16  20.800  27.483  15.107
  171   2HO*    G  16          2HO*        G  16  20.808  25.969  16.896
  172    H1*    G  16           H1*        G  16  19.613  24.945  15.104
  173    H8     G  16           H8         G  16  18.188  27.520  12.687
  174    H1     G  16           H1         G  16  22.629  23.652  10.161
  175   1H2     G  16          H22         G  16  23.508  22.427  11.677
  176   2H2     G  16          H21         G  16  23.021  22.530  13.360
  177   1H5*    A  17          H5*         A  17  21.534  31.232  14.236
  178   2H5*    A  17          H5**        A  17  21.260  29.550  14.713
  179    H4*    A  17           H4*        A  17  23.384  31.427  15.514
  180    H3*    A  17           H3*        A  17  23.204  28.423  15.242
  181    H2*    A  17           H2*        A  17  24.966  28.217  16.803
  182   2HO*    A  17          2HO*        A  17  25.952  30.254  15.641
  183    H1*    A  17           H1*        A  17  24.202  30.411  18.414
  184    H8     A  17           H8         A  17  21.129  28.445  17.938
  185   1H6     A  17          H62         A  17  23.135  24.813  22.580
  186   2H6     A  17          H61         A  17  21.736  25.206  21.582
  187    H2     A  17           H2         A  17  26.492  27.378  21.318
  188   1H5*    G  18          H5*         G  18  27.427  26.324  12.898
  189   2H5*    G  18          H5**        G  18  25.720  25.907  13.100
  190    H4*    G  18           H4*        G  18  27.835  26.217  15.211
  191    H3*    G  18           H3*        G  18  25.987  23.918  14.495
  192    H2*    G  18           H2*        G  18  26.186  23.261  16.779
  193   2HO*    G  18          2HO*        G  18  28.607  24.156  16.573
  194    H1*    G  18           H1*        G  18  26.162  25.918  17.770
  195    H8     G  18           H8         G  18  23.241  26.005  15.606
  196    H1     G  18           H1         G  18  22.323  22.294  20.764
  197   1H2     G  18          H21         G  18  24.252  21.844  21.716
  198   2H2     G  18          H22         G  18  25.751  22.470  21.059
  199   1H5*    A  19          H5*         A  19  28.360  21.780  16.808
  200   2H5*    A  19          H5**        A  19  28.807  20.315  15.915
  201    H4*    A  19           H4*        A  19  27.676  19.641  17.883
  202    H3*    A  19           H3*        A  19  25.999  19.258  15.397
  203    H2*    A  19           H2*        A  19  24.339  18.269  16.812
  204   2HO*    A  19          2HO*        A  19  26.308  17.440  18.222
  205    H1*    A  19           H1*        A  19  24.474  20.220  18.779
  206    H8     A  19           H8         A  19  24.961  21.634  15.297
  207   1H6     A  19          H62         A  19  18.816  22.406  15.156
  208   2H6     A  19          H61         A  19  20.315  22.769  14.307
  209    H2     A  19           H2         A  19  19.803  20.077  18.779
  210   1H5*    U  20          H5*         U  20  25.102  16.115  16.363
  211   2H5*    U  20          H5**        U  20  25.207  14.907  15.082
  212    H4*    U  20           H4*        U  20  22.910  15.551  15.798
  213    H3*    U  20           H3*        U  20  23.543  15.876  12.860
  214    H2*    U  20           H2*        U  20  21.150  16.097  12.677
  215   2HO*    U  20          2HO*        U  20  19.897  15.224  14.176
  216    H1*    U  20           H1*        U  20  21.054  17.877  14.833
  217    H3     U  20           H3         U  20  19.993  19.985  10.908
  218    H5     U  20           H5         U  20  24.169  20.029  11.061
  219    H6     U  20           H6         U  20  24.040  18.549  12.981
  220   1H5*    G  21          H5*         G  21  20.770  12.698  14.132
  221   2H5*    G  21          H5**        G  21  20.078  11.708  12.857
  222    H4*    G  21           H4*        G  21  18.709  13.334  14.440
  223    H3*    G  21           H3*        G  21  17.815  11.718  12.502
  224    H2*    G  21           H2*        G  21  17.929  13.307  10.681
  225   2HO*    G  21          2HO*        G  21  15.497  13.217  11.941
  226    H1*    G  21           H1*        G  21  17.073  15.581  12.509
  227    H8     G  21           H8         G  21  20.149  14.788  10.317
  228    H1     G  21           H1         G  21  16.602  19.801   8.444
  229   1H2     G  21          H22         G  21  14.883  20.042   9.708
  230   2H2     G  21          H21         G  21  14.586  18.919  11.025
  231   1H5*    C  22          H5*         C  22  14.046  14.046  13.790
  232   2H5*    C  22          H5**        C  22  12.821  12.797  14.044
  233    H4*    C  22           H4*        C  22  11.860  14.437  12.684
  234    H3*    C  22           H3*        C  22  12.477  12.000  11.037
  235    H2*    C  22           H2*        C  22  11.427  13.139   9.231
  236   2HO*    C  22          2HO*        C  22   9.634  14.198   9.844
  237    H1*    C  22           H1*        C  22  12.351  15.713  10.059
  238   1H4     C  22          H42         C  22  15.930  14.895   4.883
  239   2H4     C  22          H41         C  22  16.604  13.416   5.532
  240    H5     C  22           H5         C  22  15.944  12.443   7.624
  241    H6     C  22           H6         C  22  14.495  12.698   9.558
  242   1H5*    A  23          H5*         A  23   8.473  13.327  11.708
  243   2H5*    A  23          H5**        A  23   7.191  12.118  11.673
  244    H4*    A  23           H4*        A  23   6.780  14.200  10.388
  245    H3*    A  23           H3*        A  23   5.720  11.808   9.837
  246    H2*    A  23           H2*        A  23   7.508  11.196   8.248
  247   2HO*    A  23          2HO*        A  23   5.251  12.418   7.041
  248    H1*    A  23           H1*        A  23   7.196  14.119   7.290
  249    H8     A  23           H8         A  23  10.220  11.792   7.963
  250   1H6     A  23          H62         A  23  11.875  13.191   2.133
  251   2H6     A  23          H61         A  23  12.373  12.350   3.600
  252    H2     A  23           H2         A  23   7.943  15.060   2.924
  253   1H5*    A  24          H5*         A  24   3.910  10.096   7.422
  254   2H5*    A  24          H5**        A  24   2.909  11.494   6.973
  255    H4*    A  24           H4*        A  24   1.544  10.363   9.055
  256    H3*    A  24           H3*        A  24   2.477   7.988   7.426
  257    H2*    A  24           H2*        A  24   0.438   7.049   8.103
  258   2HO*    A  24          2HO*        A  24   0.211   7.764  10.209
  259    H1*    A  24           H1*        A  24  -0.933   9.518   7.712
  260    H8     A  24           H8         A  24   0.054   9.883   4.556
  261   1H6     A  24          H61         A  24  -2.827   4.677   2.672
  262   2H6     A  24          H62         A  24  -2.146   6.175   2.055
  263    H2     A  24           H2         A  24  -2.376   4.484   7.015
  264   1H5*    U  25          H5*         U  25   2.934   3.941  10.017
  265   2H5*    U  25          H5**        U  25   1.395   4.162   9.222
  266    H4*    U  25           H4*        U  25   2.324   5.500  11.723
  267    H3*    U  25           H3*        U  25   0.105   3.548  11.122
  268    H2*    U  25           H2*        U  25  -1.132   4.545  12.877
  269   2HO*    U  25          2HO*        U  25   1.230   4.769  13.971
  270    H1*    U  25           H1*        U  25  -0.096   7.171  12.408
  271    H3     U  25           H3         U  25  -4.710   7.389  12.259
  272    H5     U  25           H5         U  25  -3.376   6.707   8.351
  273    H6     U  25           H6         U  25  -1.218   6.238   9.235
  274   1H5*    C  26          H5*         C  26  -0.411   2.723  14.813
  275   2H5*    C  26          H5**        C  26  -0.222   0.973  14.941
  276    H4*    C  26           H4*        C  26  -2.343   1.409  15.667
  277    H3*    C  26           H3*        C  26  -2.686   0.340  12.864
  278    H2*    C  26           H2*        C  26  -5.025   0.413  13.383
  279   2HO*    C  26          2HO*        C  26  -4.339  -0.285  15.714
  280    H1*    C  26           H1*        C  26  -4.828   2.843  14.869
  281   1H4     C  26          H41         C  26  -7.597   4.705   9.613
  282   2H4     C  26          H42         C  26  -6.282   4.497   8.556
  283    H5     C  26           H5         C  26  -4.055   3.600   9.584
  284    H6     C  26           H6         C  26  -3.092   2.686  11.649
  285   1H5*    C  27          H5*         C  27  -5.080  -2.160  15.847
  286   2H5*    C  27          H5**        C  27  -4.725  -3.801  15.293
  287    H4*    C  27           H4*        C  27  -7.154  -3.144  15.690
  288    H3*    C  27           H3*        C  27  -6.315  -4.616  13.186
  289    H2*    C  27           H2*        C  27  -8.650  -4.714  12.679
  290   2HO*    C  27          2HO*        C  27  -9.013  -4.826  15.203
  291    H1*    C  27           H1*        C  27  -9.155  -2.043  13.418
  292   1H4     C  27          H41         C  27  -8.562  -2.325   7.181
  293   2H4     C  27          H42         C  27  -7.059  -1.553   7.089
  294    H5     C  27           H5         C  27  -5.788  -1.260   9.443
  295    H6     C  27           H6         C  27  -6.095  -1.576  11.847
  296   1H5*    A  28          H5*         A  28  -9.136  -7.423  14.615
  297   2H5*    A  28          H5**        A  28  -8.398  -9.025  14.452
  298    H4*    A  28           H4*        A  28 -10.510  -8.806  13.207
  299    H3*    A  28           H3*        A  28  -8.054  -9.374  11.544
  300    H2*    A  28           H2*        A  28  -9.527  -9.528   9.690
  301   2HO*    A  28          2HO*        A  28 -11.412 -10.471  10.138
  302    H1*    A  28           H1*        A  28 -11.189  -7.376  10.529
  303    H8     A  28           H8         A  28  -7.327  -7.134  10.455
  304   1H6     A  28          H62         A  28  -8.220  -4.305   4.998
  305   2H6     A  28          H61         A  28  -7.009  -4.760   6.197
  306    H2     A  28           H2         A  28 -12.158  -5.695   6.479
  307   1H5*    G  29          H5*         G  29 -11.406 -12.360  11.784
  308   2H5*    G  29          H5**        G  29 -10.976 -13.966  11.191
  309    H4*    G  29           H4*        G  29 -13.044 -12.611  10.278
  310    H3*    G  29           H3*        G  29 -12.142 -14.941   9.387
  311    H2*    G  29           H2*        G  29 -10.287 -13.708   8.257
  312   2HO*    G  29          2HO*        G  29 -12.341 -14.717   6.535
  313    H1*    G  29           H1*        G  29 -12.676 -12.099   7.165
  314    H8     G  29           H8         G  29  -8.846 -11.940   7.776
  315    H1     G  29           H1         G  29 -11.012  -8.958   2.529
  316   1H2     G  29          H22         G  29 -13.167  -9.175   2.393
  317   2H2     G  29          H21         G  29 -14.094 -10.056   3.608
  318   1H5*    U  30          H5*         U  30 -13.603 -13.453   5.571
  319   2H5*    U  30          H5**        U  30 -15.230 -14.146   5.501
  320    H4*    U  30           H4*        U  30 -14.207 -14.111   3.315
  321    H3*    U  30           H3*        U  30 -14.740 -16.848   4.478
  322    H2*    U  30           H2*        U  30 -14.123 -17.680   2.325
  323   2HO*    U  30          2HO*        U  30 -14.907 -16.137   0.926
  324    H1*    U  30           H1*        U  30 -11.857 -15.982   2.108
  325    H3     U  30           H3         U  30 -11.063 -20.659   3.035
  326    H5     U  30           H5         U  30  -9.821 -18.246   6.219
  327    H6     U  30           H6         U  30 -11.015 -16.409   5.182
  328   1H5*    G  31          H5*         G  31 -16.299 -14.923   0.479
  329   2H5*    G  31          H5**        G  31 -17.798 -15.789   0.096
  330    H4*    G  31           H4*        G  31 -16.859 -15.938  -1.896
  331    H3*    G  31           H3*        G  31 -15.522 -18.306  -0.601
  332    H2*    G  31           H2*        G  31 -14.752 -18.783  -2.773
  333   2HO*    G  31          2HO*        G  31 -16.345 -18.307  -4.226
  334    H1*    G  31           H1*        G  31 -14.217 -16.041  -3.302
  335    H8     G  31           H8         G  31 -12.875 -17.567  -0.004
  336    H1     G  31           H1         G  31  -9.124 -18.315  -5.161
  337   1H2     G  31          H21         G  31  -9.906 -17.750  -6.765
  338   2H2     G  31          H22         G  31 -11.403 -17.040  -7.079
  339   1H5*    G  32          H5*         G  32 -18.407 -19.072  -3.490
  340   2H5*    G  32          H5**        G  32 -19.089 -20.686  -3.677
  341    H4*    G  32           H4*        G  32 -17.808 -19.675  -5.639
  342    H3*    G  32           H3*        G  32 -17.269 -22.481  -4.689
  343    H2*    G  32           H2*        G  32 -15.818 -22.653  -6.566
  344   2HO*    G  32          2HO*        G  32 -16.543 -21.644  -8.349
  345    H1*    G  32           H1*        G  32 -14.814 -20.027  -6.326
  346    H8     G  32           H8         G  32 -14.835 -22.010  -3.078
  347    H1     G  32           H1         G  32  -9.786 -22.992  -6.906
  348   1H2     G  32          H21         G  32  -9.971 -22.183  -8.606
  349   2H2     G  32          H22         G  32 -11.206 -21.217  -9.249
  350   1H5*    U  33          H5*         U  33 -18.884 -21.734  -8.726
  351   2H5*    U  33          H5**        U  33 -19.843 -23.087  -9.351
  352    H4*    U  33           H4*        U  33 -18.200 -22.303 -10.974
  353    H3*    U  33           H3*        U  33 -17.810 -25.139  -9.988
  354    H2*    U  33           H2*        U  33 -16.035 -25.282 -11.584
  355   2HO*    U  33          2HO*        U  33 -17.363 -23.796 -13.091
  356    H1*    U  33           H1*        U  33 -14.944 -22.791 -10.960
  357    H3     U  33           H3         U  33 -12.001 -25.890  -9.395
  358    H5     U  33           H5         U  33 -14.942 -25.568  -6.401
  359    H6     U  33           H6         U  33 -16.226 -24.250  -7.930
  360   1H5*    C  34          H5*         C  34 -18.182 -25.534 -14.140
  361   2H5*    C  34          H5**        C  34 -18.929 -27.081 -14.563
  362    H4*    C  34           H4*        C  34 -16.559 -26.697 -15.346
  363    H3*    C  34           H3*        C  34 -17.202 -29.218 -13.802
  364    H2*    C  34           H2*        C  34 -14.923 -29.841 -14.257
  365   2HO*    C  34          2HO*        C  34 -15.276 -28.556 -16.461
  366    H1*    C  34           H1*        C  34 -13.913 -27.212 -13.880
  367   1H4     C  34          H42         C  34 -12.303 -30.539  -8.711
  368   2H4     C  34          H41         C  34 -13.643 -29.815  -7.839
  369    H5     C  34           H5         C  34 -15.314 -28.435  -8.953
  370    H6     C  34           H6         C  34 -16.003 -27.500 -11.100
  371   1H5*    C  35          H5*         C  35 -15.538 -29.854 -17.845
  372   2H5*    C  35          H5**        C  35 -15.890 -31.459 -18.464
  373    H4*    C  35           H4*        C  35 -13.429 -30.450 -18.026
  374    H3*    C  35           H3*        C  35 -14.094 -32.702 -19.251
  375    H2*    C  35           H2*        C  35 -14.649 -33.876 -17.146
  376   2HO*    C  35          2HO*        C  35 -12.289 -34.960 -16.774
  377    H1*    C  35           H1*        C  35 -11.955 -32.776 -16.148
  378   1H4     C  35          H41         C  35 -13.665 -36.301 -11.293
  379   2H4     C  35          H42         C  35 -14.954 -35.366 -10.727
  380    H5     C  35           H5         C  35 -15.714 -33.362 -12.354
  381    H6     C  35           H6         C  35 -15.084 -32.232 -14.432
  382    H3T    C  35           H3T        C  35 -11.845 -33.285 -19.005
  383   1H5*    A  36          H5*         A  36  -9.338 -13.380  -8.649
  384   2H5*    A  36          H5**        A  36 -11.021 -13.565  -9.117
  385    H4*    A  36           H4*        A  36 -11.793 -13.248  -7.078
  386    H3*    A  36           H3*        A  36  -9.812 -11.009  -6.645
  387    H2*    A  36           H2*        A  36 -10.359 -11.197  -4.343
  388   2HO*    A  36          2HO*        A  36 -12.687 -11.549  -4.708
  389    H1*    A  36           H1*        A  36 -10.444 -14.041  -4.412
  390    H8     A  36           H8         A  36  -7.374 -13.044  -6.212
  391   1H6     A  36          H61         A  36  -4.661 -12.487  -0.636
  392   2H6     A  36          H62         A  36  -4.318 -12.540  -2.367
  393    H2     A  36           H2         A  36  -8.976 -12.874   0.004
  394    H5T    A  36           H5T        A  36 -10.840 -11.046  -8.618
  395   1H5*    C  37          H5*         C  37 -14.102  -9.777  -5.481
  396   2H5*    C  37          H5**        C  37 -14.212  -8.071  -5.953
  397    H4*    C  37           H4*        C  37 -15.082  -8.345  -3.731
  398    H3*    C  37           H3*        C  37 -12.440  -6.884  -3.760
  399    H2*    C  37           H2*        C  37 -12.757  -6.556  -1.450
  400   2HO*    C  37          2HO*        C  37 -14.751  -6.273  -0.714
  401    H1*    C  37           H1*        C  37 -13.896  -9.127  -1.035
  402   1H4     C  37          H42         C  37  -8.232  -9.292   1.592
  403   2H4     C  37          H41         C  37  -7.425  -9.672   0.063
  404    H5     C  37           H5         C  37  -8.673  -9.668  -2.041
  405    H6     C  37           H6         C  37 -10.887  -9.331  -3.044
  406   1H5*    U  38          H5*         U  38 -16.013  -4.878  -2.182
  407   2H5*    U  38          H5**        U  38 -15.860  -3.128  -2.079
  408    H4*    U  38           H4*        U  38 -16.555  -4.415  -0.006
  409    H3*    U  38           H3*        U  38 -14.433  -2.274   0.172
  410    H2*    U  38           H2*        U  38 -14.558  -2.655   2.547
  411   2HO*    U  38          2HO*        U  38 -17.013  -3.014   2.218
  412    H1*    U  38           H1*        U  38 -14.844  -5.456   2.301
  413    H3     U  38           H3         U  38 -10.939  -4.403   4.615
  414    H5     U  38           H5         U  38  -9.899  -4.923   0.587
  415    H6     U  38           H6         U  38 -12.240  -4.903   0.055
  416   1H5*    G  39          H5*         G  39 -17.749  -1.537   2.810
  417   2H5*    G  39          H5**        G  39 -18.071   0.198   2.854
  418    H4*    G  39           H4*        G  39 -17.789  -0.719   5.080
  419    H3*    G  39           H3*        G  39 -15.676   1.274   4.242
  420    H2*    G  39           H2*        G  39 -14.996   1.205   6.548
  421   2HO*    G  39          2HO*        G  39 -17.434   0.777   7.130
  422    H1*    G  39           H1*        G  39 -15.186  -1.556   6.713
  423    H8     G  39           H8         G  39 -13.636  -0.169   3.468
  424    H1     G  39           H1         G  39  -9.597  -1.236   8.315
  425   1H2     G  39          H21         G  39 -10.452  -1.739   9.888
  426   2H2     G  39          H22         G  39 -12.063  -1.997  10.301
  427   1H5*    G  40          H5*         G  40 -17.511   2.443   7.688
  428   2H5*    G  40          H5**        G  40 -17.985   4.139   7.586
  429    H4*    G  40           H4*        G  40 -16.868   3.803   9.629
  430    H3*    G  40           H3*        G  40 -15.170   5.390   7.692
  431    H2*    G  40           H2*        G  40 -13.760   5.762   9.561
  432   2HO*    G  40          2HO*        G  40 -15.958   5.706  10.933
  433    H1*    G  40           H1*        G  40 -14.020   3.054  10.494
  434    H8     G  40           H8         G  40 -13.348   3.673   6.787
  435    H1     G  40           H1         G  40  -8.110   3.066  10.463
  436   1H2     G  40          H22         G  40  -8.616   3.032  12.547
  437   2H2     G  40          H21         G  40 -10.297   3.117  13.052
  438   1H5*    C  41          H5*         C  41 -16.062   9.009  10.462
  439   2H5*    C  41          H5**        C  41 -16.841   9.956   9.179
  440    H4*    C  41           H4*        C  41 -15.302  11.444   9.588
  441    H3*    C  41           H3*        C  41 -14.421  10.276   7.364
  442    H2*    C  41           H2*        C  41 -13.172   8.564   8.671
  443   2HO*    C  41          2HO*        C  41 -11.816   9.999   7.060
  444    H1*    C  41           H1*        C  41 -12.161  11.045  10.162
  445   1H4     C  41          H42         C  41  -8.667   6.931  13.438
  446   2H4     C  41          H41         C  41 -10.005   5.800  13.600
  447    H5     C  41           H5         C  41 -12.155   6.192  12.578
  448    H6     C  41           H6         C  41 -13.443   7.758  11.194
  449   1H5*    U  42          H5*         U  42 -12.247  13.640   5.187
  450   2H5*    U  42          H5**        U  42 -12.641  12.501   3.902
  451    H4*    U  42           H4*        U  42 -11.066  11.977   6.399
  452    H3*    U  42           H3*        U  42 -10.385  12.021   3.469
  453    H2*    U  42           H2*        U  42  -8.831  10.243   3.832
  454   2HO*    U  42          2HO*        U  42  -8.846  11.095   6.366
  455    H1*    U  42           H1*        U  42 -10.645   8.624   5.081
  456    H3     U  42           H3         U  42 -10.274   7.889   0.425
  457    H5     U  42           H5         U  42 -13.903   9.824   1.169
  458    H6     U  42           H6         U  42 -13.142  10.260   3.400
  459   1H5*    U  43          H5*         U  43  -7.010  11.256   2.448
  460   2H5*    U  43          H5**        U  43  -7.027  11.810   4.123
  461    H4*    U  43           H4*        U  43  -5.623  13.792   3.307
  462    H3*    U  43           H3*        U  43  -5.235  11.940   0.935
  463    H2*    U  43           H2*        U  43  -2.938  12.743   0.910
  464   2HO*    U  43          2HO*        U  43  -3.909  14.863   2.119
  465    H1*    U  43           H1*        U  43  -2.562  12.068   3.518
  466    H3     U  43           H3         U  43  -1.147   8.823   0.505
  467    H5     U  43           H5         U  43  -4.957   7.667   1.797
  468    H6     U  43           H6         U  43  -5.186   9.833   2.823
  469   1H5*    G  44          H5*         G  44  -3.018  14.204  -0.593
  470   2H5*    G  44          H5**        G  44  -3.882  15.163  -1.780
  471    H4*    G  44           H4*        G  44  -2.606  14.576  -3.382
  472    H3*    G  44           H3*        G  44  -2.717  11.630  -2.742
  473    H2*    G  44           H2*        G  44  -1.094  11.500  -4.519
  474   2HO*    G  44          2HO*        G  44  -1.275  12.993  -6.083
  475    H1*    G  44           H1*        G  44   0.188  13.820  -3.570
  476    H8     G  44           H8         G  44  -0.707  10.929  -1.169
  477    H1     G  44           H1         G  44   5.078  10.691  -3.954
  478   1H2     G  44          H21         G  44   5.350  12.055  -5.220
  479   2H2     G  44          H22         G  44   4.365  13.312  -5.746
  480   1H5*    U  45          H5*         U  45  -3.460  13.321  -6.551
  481   2H5*    U  45          H5**        U  45  -4.399  12.400  -7.732
  482    H4*    U  45           H4*        U  45  -2.367  13.469  -8.666
  483    H3*    U  45           H3*        U  45  -2.743  10.486  -8.873
  484    H2*    U  45           H2*        U  45  -0.707  10.384 -10.062
  485   2HO*    U  45          2HO*        U  45  -1.448  12.699 -10.995
  486    H1*    U  45           H1*        U  45   0.665  12.288  -8.563
  487    H3     U  45           H3         U  45   3.111   8.731  -7.307
  488    H5     U  45           H5         U  45  -0.745   7.768  -5.967
  489    H6     U  45           H6         U  45  -1.535   9.790  -7.000
  490   1H5*    G  46          H5*         G  46  -2.116  11.056 -12.516
  491   2H5*    G  46          H5**        G  46  -3.174  10.079 -13.538
  492    H4*    G  46           H4*        G  46  -0.827   9.425 -13.679
  493    H3*    G  46           H3*        G  46  -2.711   7.296 -12.681
  494    H2*    G  46           H2*        G  46  -0.825   5.845 -12.713
  495   2HO*    G  46          2HO*        G  46   0.353   6.208 -14.528
  496    H1*    G  46           H1*        G  46   1.009   7.874 -11.855
  497    H8     G  46           H8         G  46  -2.085   7.541  -9.711
  498    H1     G  46           H1         G  46   2.918   3.816  -8.206
  499   1H2     G  46          H21         G  46   4.274   3.838  -9.481
  500   2H2     G  46          H22         G  46   4.421   4.669 -10.938
  501   1H5*    G  47          H5*         G  47  -0.587   6.836 -16.480
  502   2H5*    G  47          H5**        G  47  -1.470   5.871 -17.673
  503    H4*    G  47           H4*        G  47   0.862   5.165 -17.438
  504    H3*    G  47           H3*        G  47  -1.272   3.151 -16.749
  505    H2*    G  47           H2*        G  47   0.455   1.585 -16.314
  506   2HO*    G  47          2HO*        G  47   1.699   2.293 -18.235
  507    H1*    G  47           H1*        G  47   2.243   3.424 -15.139
  508    H8     G  47           H8         G  47  -1.445   3.399 -14.032
  509    H1     G  47           H1         G  47   2.634  -0.121 -10.528
  510   1H2     G  47          H22         G  47   4.587  -0.148 -11.402
  511   2H2     G  47          H21         G  47   4.883   0.697 -12.911
  512   1H5*    C  48          H5*         C  48   1.440   1.375 -20.145
  513   2H5*    C  48          H5**        C  48   0.244   0.450 -21.075
  514    H4*    C  48           H4*        C  48   2.256  -0.846 -20.330
  515    H3*    C  48           H3*        C  48  -0.522  -1.793 -19.705
  516    H2*    C  48           H2*        C  48   0.351  -3.572 -18.425
  517   2HO*    C  48          2HO*        C  48   1.999  -4.274 -19.839
  518    H1*    C  48           H1*        C  48   2.571  -2.198 -17.339
  519   1H4     C  48          H42         C  48  -1.367  -2.147 -12.441
  520   2H4     C  48          H41         C  48  -2.503  -1.049 -13.219
  521    H5     C  48           H5         C  48  -2.180  -0.324 -15.528
  522    H6     C  48           H6         C  48  -0.722  -0.512 -17.454
  523   1H5*    G  49          H5*         G  49   2.679  -4.107 -21.839
  524   2H5*    G  49          H5**        G  49   2.027  -5.327 -22.929
  525    H4*    G  49           H4*        G  49   4.058  -5.861 -21.475
  526    H3*    G  49           H3*        G  49   2.416  -7.612 -22.732
  527    H2*    G  49           H2*        G  49   0.990  -7.918 -20.748
  528   2HO*    G  49          2HO*        G  49   2.143  -9.893 -19.664
  529    H1*    G  49           H1*        G  49   3.698  -7.857 -19.264
  530    H8     G  49           H8         G  49   1.308  -5.692 -17.688
  531    H1     G  49           H1         G  49   0.699 -11.693 -15.432
  532   1H2     G  49          H21         G  49   1.740 -13.074 -16.784
  533   2H2     G  49          H22         G  49   2.572 -12.506 -18.224
  534    H3T    G  49           H3T        G  49   3.948  -9.161 -21.697
  Start of MODEL   13
    1   1H5*    G   1          H5*         G   1  -3.801 -38.829  -7.641
    2   2H5*    G   1          H5**        G   1  -2.314 -37.953  -7.291
    3    H4*    G   1           H4*        G   1  -2.350 -37.949  -9.525
    4    H3*    G   1           H3*        G   1  -2.596 -35.434  -8.450
    5    H2*    G   1           H2*        G   1  -4.705 -34.816  -9.190
    6   2HO*    G   1          2HO*        G   1  -2.973 -34.197 -11.018
    7    H1*    G   1           H1*        G   1  -4.813 -36.675 -11.561
    8    H8     G   1           H8         G   1  -6.419 -36.987  -8.103
    9    H1     G   1           H1         G   1 -10.391 -35.351 -12.833
   10   1H2     G   1          H21         G   1  -9.570 -35.055 -14.467
   11   2H2     G   1          H22         G   1  -7.978 -35.070 -14.985
   12    H5T    G   1           H5T        G   1  -3.428 -36.423  -6.357
   13   1H5*    G   2          H5*         G   2  -0.936 -33.662 -12.367
   14   2H5*    G   2          H5**        G   2   0.229 -32.560 -11.621
   15    H4*    G   2           H4*        G   2  -1.261 -31.234 -12.853
   16    H3*    G   2           H3*        G   2  -1.986 -30.997  -9.926
   17    H2*    G   2           H2*        G   2  -3.540 -29.331 -10.645
   18   2HO*    G   2          2HO*        G   2  -2.907 -28.112 -12.316
   19    H1*    G   2           H1*        G   2  -4.246 -30.788 -12.978
   20    H8     G   2           H8         G   2  -4.165 -32.368  -9.428
   21    H1     G   2           H1         G   2  -9.861 -30.495 -11.692
   22   1H2     G   2          H22         G   2  -9.612 -29.485 -13.613
   23   2H2     G   2          H21         G   2  -8.017 -29.278 -14.323
   24   1H5*    A   3          H5*         A   3  -0.653 -27.538 -12.243
   25   2H5*    A   3          H5**        A   3  -0.004 -26.215 -11.262
   26    H4*    A   3           H4*        A   3  -1.732 -25.534 -12.930
   27    H3*    A   3           H3*        A   3  -2.086 -24.894 -10.025
   28    H2*    A   3           H2*        A   3  -4.175 -23.938 -10.487
   29   2HO*    A   3          2HO*        A   3  -4.220 -22.672 -12.220
   30    H1*    A   3           H1*        A   3  -4.782 -25.611 -12.708
   31    H8     A   3           H8         A   3  -4.131 -26.889  -9.092
   32   1H6     A   3          H61         A   3 -10.363 -27.532  -9.157
   33   2H6     A   3          H62         A   3  -9.079 -27.811  -8.087
   34    H2     A   3           H2         A   3  -9.177 -25.671 -12.869
   35   1H5*    C   4          H5*         C   4  -2.380 -21.631 -12.836
   36   2H5*    C   4          H5**        C   4  -1.788 -20.100 -12.177
   37    H4*    C   4           H4*        C   4  -4.081 -19.950 -13.113
   38    H3*    C   4           H3*        C   4  -3.582 -19.270 -10.234
   39    H2*    C   4           H2*        C   4  -5.850 -18.747  -9.983
   40   2HO*    C   4          2HO*        C   4  -6.548 -17.615 -11.698
   41    H1*    C   4           H1*        C   4  -6.848 -20.817 -11.636
   42   1H4     C   4          H41         C   4  -8.067 -22.534  -5.814
   43   2H4     C   4          H42         C   4  -6.649 -23.315  -5.390
   44    H5     C   4           H5         C   4  -4.628 -22.975  -7.258
   45    H6     C   4           H6         C   4  -4.222 -21.996  -9.444
   46   1H5*    C   5          H5*         C   5  -5.190 -16.116 -12.314
   47   2H5*    C   5          H5**        C   5  -4.524 -14.487 -12.070
   48    H4*    C   5           H4*        C   5  -6.934 -14.535 -11.554
   49    H3*    C   5           H3*        C   5  -4.939 -13.593  -9.938
   50    H2*    C   5           H2*        C   5  -5.135 -14.986  -8.136
   51   2HO*    C   5          2HO*        C   5  -7.408 -13.323  -7.920
   52    H1*    C   5           H1*        C   5  -8.066 -15.610  -8.848
   53   1H4     C   5          H42         C   5  -6.828 -20.069  -4.414
   54   2H4     C   5          H41         C   5  -5.142 -20.063  -4.876
   55    H5     C   5           H5         C   5  -4.196 -18.672  -6.586
   56    H6     C   5           H6         C   5  -4.668 -17.028  -8.277
   57   1H5*    C   6          H5*         C   6  -6.260 -11.604  -6.649
   58   2H5*    C   6          H5**        C   6  -5.692  -9.980  -6.979
   59    H4*    C   6           H4*        C   6  -4.807 -11.257  -4.957
   60    H3*    C   6           H3*        C   6  -3.764  -9.004  -5.747
   61    H2*    C   6           H2*        C   6  -2.716 -10.222  -7.710
   62   2HO*    C   6          2HO*        C   6  -0.336 -10.389  -6.689
   63    H1*    C   6           H1*        C   6  -1.514 -11.968  -5.470
   64   1H4     C   6          H41         C   6   1.283 -14.245 -10.781
   65   2H4     C   6          H42         C   6  -0.312 -14.739 -11.354
   66    H5     C   6           H5         C   6  -2.350 -14.211 -10.227
   67    H6     C   6           H6         C   6  -3.279 -13.051  -8.236
   68   1H5*    G   7          H5*         G   7   0.173  -9.772  -4.172
   69   2H5*    G   7          H5**        G   7   0.483  -8.574  -2.911
   70    H4*    G   7           H4*        G   7   2.177  -8.511  -4.655
   71    H3*    G   7           H3*        G   7   0.594  -6.060  -4.101
   72    H2*    G   7           H2*        G   7   1.346  -4.972  -6.018
   73   2HO*    G   7          2HO*        G   7   3.598  -5.301  -5.591
   74    H1*    G   7           H1*        G   7   1.941  -7.252  -7.621
   75    H8     G   7           H8         G   7  -1.704  -7.307  -6.748
   76    H1     G   7           H1         G   7  -0.124  -3.329 -11.543
   77   1H2     G   7          H22         G   7   2.015  -3.110 -11.664
   78   2H2     G   7          H21         G   7   3.091  -3.920 -10.529
   79   1H5*    C   8          H5*         C   8   5.271  -5.811  -4.591
   80   2H5*    C   8          H5**        C   8   5.748  -4.560  -3.436
   81    H4*    C   8           H4*        C   8   6.762  -4.443  -5.745
   82    H3*    C   8           H3*        C   8   5.509  -2.032  -4.445
   83    H2*    C   8           H2*        C   8   6.153  -0.797  -6.380
   84   2HO*    C   8          2HO*        C   8   8.155  -2.384  -6.509
   85    H1*    C   8           H1*        C   8   5.395  -2.724  -8.239
   86   1H4     C   8          H41         C   8   0.681   1.454  -7.714
   87   2H4     C   8          H42         C   8  -0.395   0.316  -7.046
   88    H5     C   8           H5         C   8   0.648  -1.985  -6.249
   89    H6     C   8           H6         C   8   2.697  -3.253  -6.243
   90   1H5*    C   9          H5*         C   9   9.019  -0.646  -6.012
   91   2H5*    C   9          H5**        C   9   9.706   0.554  -4.927
   92    H4*    C   9           H4*        C   9   9.089   1.285  -7.263
   93    H3*    C   9           H3*        C   9   8.371   2.895  -4.842
   94    H2*    C   9           H2*        C   9   7.336   4.442  -6.255
   95   2HO*    C   9          2HO*        C   9   8.838   4.828  -7.838
   96    H1*    C   9           H1*        C   9   6.482   2.554  -8.247
   97   1H4     C   9          H42         C   9   1.019   4.540  -5.458
   98   2H4     C   9          H41         C   9   1.393   3.454  -4.147
   99    H5     C   9           H5         C   9   3.394   2.209  -3.897
  100    H6     C   9           H6         C   9   5.557   1.674  -4.881
  101   1H5*    A  10          H5*         A  10  11.368   5.080  -7.272
  102   2H5*    A  10          H5**        A  10  12.359   6.129  -6.246
  103    H4*    A  10           H4*        A  10  11.254   7.452  -7.912
  104    H3*    A  10           H3*        A  10  10.222   7.953  -5.128
  105    H2*    A  10           H2*        A  10   8.739   9.532  -6.050
  106   2HO*    A  10          2HO*        A  10   9.733  10.801  -7.483
  107    H1*    A  10           H1*        A  10   8.387   8.182  -8.516
  108    H8     A  10           H8         A  10   7.595   6.412  -5.142
  109   1H6     A  10          H61         A  10   1.756   7.928  -6.682
  110   2H6     A  10          H62         A  10   2.519   7.079  -5.442
  111    H2     A  10           H2         A  10   4.306   9.716  -9.579
  112   1H5*    C  11          H5*         C  11  11.765  11.488  -7.119
  113   2H5*    C  11          H5**        C  11  12.353  12.762  -6.035
  114    H4*    C  11           H4*        C  11  10.480  13.406  -7.613
  115    H3*    C  11           H3*        C  11  10.413  13.992  -4.684
  116    H2*    C  11           H2*        C  11   8.145  14.623  -4.771
  117   2HO*    C  11          2HO*        C  11   8.925  15.647  -7.066
  118    H1*    C  11           H1*        C  11   7.345  12.968  -6.955
  119   1H4     C  11          H42         C  11   4.294  10.294  -2.023
  120   2H4     C  11          H41         C  11   5.768   9.469  -1.603
  121    H5     C  11           H5         C  11   7.888   9.817  -2.691
  122    H6     C  11           H6         C  11   9.041  11.063  -4.400
  123   1H5*    U  12          H5*         U  12   8.664  17.307  -5.395
  124   2H5*    U  12          H5**        U  12   9.929  18.549  -5.398
  125    H4*    U  12           H4*        U  12   8.239  19.412  -4.075
  126    H3*    U  12           H3*        U  12  10.507  18.387  -2.377
  127    H2*    U  12           H2*        U  12   9.318  19.191  -0.469
  128   2HO*    U  12          2HO*        U  12   8.318  20.966  -2.029
  129    H1*    U  12           H1*        U  12   6.905  18.070  -1.187
  130    H3     U  12           H3         U  12   8.967  15.561   2.138
  131    H5     U  12           H5         U  12   9.931  13.778  -1.540
  132    H6     U  12           H6         U  12   9.037  15.700  -2.631
  133   1H5*    G  13          H5*         G  13   9.690  22.044  -1.423
  134   2H5*    G  13          H5**        G  13  10.990  23.206  -1.173
  135    H4*    G  13           H4*        G  13   9.480  22.967   0.714
  136    H3*    G  13           H3*        G  13  12.185  23.321   0.871
  137    H2*    G  13           H2*        G  13  12.853  21.279   1.748
  138   2HO*    G  13          2HO*        G  13  11.972  22.900   3.739
  139    H1*    G  13           H1*        G  13  10.216  20.660   3.100
  140    H8     G  13           H8         G  13  11.681  19.100  -0.072
  141    H1     G  13           H1         G  13  12.245  15.522   5.207
  142   1H2     G  13          H21         G  13  11.706  16.395   6.763
  143   2H2     G  13          H22         G  13  11.084  17.939   7.042
  144   1H5*    C  14          H5*         C  14  10.831  25.236   5.082
  145   2H5*    C  14          H5**        C  14  11.997  26.555   5.174
  146    H4*    C  14           H4*        C  14  11.948  24.998   7.107
  147    H3*    C  14           H3*        C  14  14.633  25.384   5.796
  148    H2*    C  14           H2*        C  14  15.467  24.061   7.582
  149   2HO*    C  14          2HO*        C  14  14.527  24.486   9.486
  150    H1*    C  14           H1*        C  14  13.167  22.373   7.648
  151   1H4     C  14          H41         C  14  17.803  18.837   5.804
  152   2H4     C  14          H42         C  14  17.827  19.094   4.147
  153    H5     C  14           H5         C  14  16.156  21.153   3.359
  154    H6     C  14           H6         C  14  14.502  22.726   4.288
  155   1H5*    A  15          H5*         A  15  13.903  26.479  10.162
  156   2H5*    A  15          H5**        A  15  15.044  27.759  10.608
  157    H4*    A  15           H4*        A  15  14.962  25.986  12.276
  158    H3*    A  15           H3*        A  15  17.610  26.417  10.883
  159    H2*    A  15           H2*        A  15  18.501  24.726  12.333
  160   2HO*    A  15          2HO*        A  15  16.767  25.675  14.019
  161    H1*    A  15           H1*        A  15  16.275  23.022  12.186
  162    H8     A  15           H8         A  15  17.430  24.620   8.886
  163   1H6     A  15          H62         A  15  20.394  19.250   7.911
  164   2H6     A  15          H61         A  15  19.943  20.796   7.233
  165    H2     A  15           H2         A  15  18.717  19.196  12.057
  166   1H5*    G  16          H5*         G  16  18.782  26.277  14.576
  167   2H5*    G  16          H5**        G  16  19.778  27.691  14.950
  168    H4*    G  16           H4*        G  16  21.158  25.902  15.387
  169    H3*    G  16           H3*        G  16  21.812  26.935  12.627
  170    H2*    G  16           H2*        G  16  23.689  25.498  12.709
  171   2HO*    G  16          2HO*        G  16  23.987  25.819  15.082
  172    H1*    G  16           H1*        G  16  22.109  23.296  13.652
  173    H8     G  16           H8         G  16  20.848  25.886  11.119
  174    H1     G  16           H1         G  16  22.897  20.361   8.603
  175   1H2     G  16          H22         G  16  23.733  19.101  10.160
  176   2H2     G  16          H21         G  16  23.793  19.607  11.835
  177   1H5*    A  17          H5*         A  17  26.293  28.401  13.036
  178   2H5*    A  17          H5**        A  17  24.960  27.249  13.167
  179    H4*    A  17           H4*        A  17  26.723  28.338  15.320
  180    H3*    A  17           H3*        A  17  26.428  25.502  14.339
  181    H2*    A  17           H2*        A  17  27.046  24.852  16.528
  182   2HO*    A  17          2HO*        A  17  28.641  26.857  16.399
  183    H1*    A  17           H1*        A  17  25.786  27.180  17.687
  184    H8     A  17           H8         A  17  22.736  26.266  16.813
  185   1H6     A  17          H62         A  17  22.692  21.216  20.406
  186   2H6     A  17          H61         A  17  21.680  22.345  19.508
  187    H2     A  17           H2         A  17  26.901  22.449  19.867
  188   1H5*    G  18          H5*         G  18  28.640  22.528  12.885
  189   2H5*    G  18          H5**        G  18  27.132  23.315  13.378
  190    H4*    G  18           H4*        G  18  28.927  22.086  15.428
  191    H3*    G  18           H3*        G  18  26.975  20.553  13.706
  192    H2*    G  18           H2*        G  18  26.489  19.258  15.669
  193   2HO*    G  18          2HO*        G  18  29.010  19.654  16.201
  194    H1*    G  18           H1*        G  18  26.684  21.475  17.425
  195    H8     G  18           H8         G  18  24.428  22.669  14.791
  196    H1     G  18           H1         G  18  21.507  18.536  18.752
  197   1H2     G  18          H21         G  18  22.994  17.476  19.986
  198   2H2     G  18          H22         G  18  24.706  17.813  19.799
  199   1H5*    A  19          H5*         A  19  29.171  17.467  15.136
  200   2H5*    A  19          H5**        A  19  29.576  16.248  13.916
  201    H4*    A  19           H4*        A  19  28.280  15.146  15.519
  202    H3*    A  19           H3*        A  19  26.557  15.726  13.098
  203    H2*    A  19           H2*        A  19  24.845  14.487  14.248
  204   2HO*    A  19          2HO*        A  19  26.754  13.184  15.376
  205    H1*    A  19           H1*        A  19  25.073  15.864  16.562
  206    H8     A  19           H8         A  19  26.065  18.101  13.725
  207   1H6     A  19          H62         A  19  20.156  19.772  13.262
  208   2H6     A  19          H61         A  19  21.780  20.148  12.710
  209    H2     A  19           H2         A  19  20.371  16.343  16.063
  210   1H5*    U  20          H5*         U  20  25.357  12.252  13.080
  211   2H5*    U  20          H5**        U  20  24.804  11.865  11.453
  212    H4*    U  20           H4*        U  20  23.240  12.761  13.467
  213    H3*    U  20           H3*        U  20  22.690  12.950  10.500
  214    H2*    U  20           H2*        U  20  20.609  13.954  11.190
  215   2HO*    U  20          2HO*        U  20  20.795  12.499  13.296
  216    H1*    U  20           H1*        U  20  21.796  15.621  13.078
  217    H3     U  20           H3         U  20  20.281  18.037   9.481
  218    H5     U  20           H5         U  20  24.284  17.064   8.644
  219    H6     U  20           H6         U  20  24.230  15.578  10.554
  220   1H5*    G  21          H5*         G  21  19.587  11.036  12.742
  221   2H5*    G  21          H5**        G  21  18.405  10.173  11.771
  222    H4*    G  21           H4*        G  21  17.918  12.375  13.188
  223    H3*    G  21           H3*        G  21  16.309  10.891  11.493
  224    H2*    G  21           H2*        G  21  16.207  12.372   9.680
  225   2HO*    G  21          2HO*        G  21  14.434  13.085  11.588
  226    H1*    G  21           H1*        G  21  16.815  14.821  11.374
  227    H8     G  21           H8         G  21  19.143  13.161   8.881
  228    H1     G  21           H1         G  21  16.130  18.401   6.697
  229   1H2     G  21          H22         G  21  14.656  19.084   8.123
  230   2H2     G  21          H21         G  21  14.380  18.187   9.604
  231   1H5*    C  22          H5*         C  22  13.282  13.576  13.845
  232   2H5*    C  22          H5**        C  22  11.994  12.442  14.261
  233    H4*    C  22           H4*        C  22  11.084  14.384  13.200
  234    H3*    C  22           H3*        C  22  10.807  11.944  11.451
  235    H2*    C  22           H2*        C  22   9.535  13.310  10.022
  236   2HO*    C  22          2HO*        C  22   8.268  14.791  10.910
  237    H1*    C  22           H1*        C  22  11.176  15.610  10.458
  238   1H4     C  22          H42         C  22  12.489  13.697   4.545
  239   2H4     C  22          H41         C  22  13.330  12.303   5.182
  240    H5     C  22           H5         C  22  13.442  11.728   7.488
  241    H6     C  22           H6         C  22  12.763  12.377   9.743
  242   1H5*    A  23          H5*         A  23   7.105  14.005  12.606
  243   2H5*    A  23          H5**        A  23   5.736  12.895  12.555
  244    H4*    A  23           H4*        A  23   5.468  15.042  11.324
  245    H3*    A  23           H3*        A  23   4.257  12.710  10.718
  246    H2*    A  23           H2*        A  23   5.922  12.090   9.067
  247   2HO*    A  23          2HO*        A  23   3.530  12.856   8.186
  248    H1*    A  23           H1*        A  23   5.753  15.045   8.198
  249    H8     A  23           H8         A  23   8.293  12.117   8.563
  250   1H6     A  23          H62         A  23  10.278  13.870   2.941
  251   2H6     A  23          H61         A  23  10.528  12.742   4.267
  252    H2     A  23           H2         A  23   6.923  16.527   4.103
  253   1H5*    A  24          H5*         A  24   1.673  12.900   6.947
  254   2H5*    A  24          H5**        A  24   0.971  14.342   7.728
  255    H4*    A  24           H4*        A  24  -0.182  12.255   9.009
  256    H3*    A  24           H3*        A  24  -0.266  11.251   6.196
  257    H2*    A  24           H2*        A  24  -2.324  10.277   6.939
  258   2HO*    A  24          2HO*        A  24  -1.450   9.674   9.101
  259    H1*    A  24           H1*        A  24  -2.833  12.520   8.615
  260    H8     A  24           H8         A  24  -2.567  12.827   4.677
  261   1H6     A  24          H61         A  24  -8.773  12.820   5.094
  262   2H6     A  24          H62         A  24  -7.431  12.995   3.977
  263    H2     A  24           H2         A  24  -7.154  12.142   9.137
  264   1H5*    U  25          H5*         U  25   0.203   9.129  10.406
  265   2H5*    U  25          H5**        U  25   0.727   7.472  10.062
  266    H4*    U  25           H4*        U  25  -0.734   7.495  11.960
  267    H3*    U  25           H3*        U  25  -2.020   6.187   9.549
  268    H2*    U  25           H2*        U  25  -3.721   5.511  11.130
  269   2HO*    U  25          2HO*        U  25  -2.175   5.248  12.945
  270    H1*    U  25           H1*        U  25  -3.897   8.068  12.231
  271    H3     U  25           H3         U  25  -7.713   7.438   9.788
  272    H5     U  25           H5         U  25  -4.844   8.652   6.999
  273    H6     U  25           H6         U  25  -3.180   8.416   8.714
  274   1H5*    C  26          H5*         C  26  -1.523   3.602  13.138
  275   2H5*    C  26          H5**        C  26  -1.471   1.907  12.629
  276    H4*    C  26           H4*        C  26  -3.190   2.500  14.385
  277    H3*    C  26           H3*        C  26  -3.924   1.003  11.884
  278    H2*    C  26           H2*        C  26  -6.184   0.973  12.614
  279   2HO*    C  26          2HO*        C  26  -5.119   0.788  14.979
  280    H1*    C  26           H1*        C  26  -6.163   3.575  13.757
  281   1H4     C  26          H41         C  26  -9.174   4.790   8.479
  282   2H4     C  26          H42         C  26  -7.915   4.519   7.373
  283    H5     C  26           H5         C  26  -5.609   3.781   8.385
  284    H6     C  26           H6         C  26  -4.543   3.131  10.479
  285   1H5*    C  27          H5*         C  27  -5.338  -1.116  15.206
  286   2H5*    C  27          H5**        C  27  -5.000  -2.845  15.065
  287    H4*    C  27           H4*        C  27  -7.396  -2.206  15.496
  288    H3*    C  27           H3*        C  27  -6.647  -4.054  13.234
  289    H2*    C  27           H2*        C  27  -8.967  -4.244  12.745
  290   2HO*    C  27          2HO*        C  27  -9.291  -4.043  15.284
  291    H1*    C  27           H1*        C  27  -9.583  -1.519  13.194
  292   1H4     C  27          H41         C  27  -9.290  -2.273   6.972
  293   2H4     C  27          H42         C  27  -7.738  -1.681   6.768
  294    H5     C  27           H5         C  27  -6.321  -1.328   9.016
  295    H6     C  27           H6         C  27  -6.508  -1.405  11.443
  296   1H5*    A  28          H5*         A  28  -9.306  -6.662  14.786
  297   2H5*    A  28          H5**        A  28  -8.415  -8.177  15.007
  298    H4*    A  28           H4*        A  28 -10.140  -8.695  13.540
  299    H3*    A  28           H3*        A  28  -7.650  -8.300  11.875
  300    H2*    A  28           H2*        A  28  -8.949  -9.123  10.078
  301   2HO*    A  28          2HO*        A  28 -10.405 -10.643  10.585
  302    H1*    A  28           H1*        A  28 -11.242  -7.643  10.851
  303    H8     A  28           H8         A  28  -7.554  -6.399  10.546
  304   1H6     A  28          H62         A  28  -9.582  -3.941   5.201
  305   2H6     A  28          H61         A  28  -8.194  -4.088   6.277
  306    H2     A  28           H2         A  28 -12.937  -6.157   7.064
  307   1H5*    G  29          H5*         G  29  -9.346 -12.431  12.363
  308   2H5*    G  29          H5**        G  29  -8.461 -13.707  11.537
  309    H4*    G  29           H4*        G  29 -11.011 -13.035  11.058
  310    H3*    G  29           H3*        G  29  -9.643 -15.061  10.066
  311    H2*    G  29           H2*        G  29  -8.375 -13.506   8.596
  312   2HO*    G  29          2HO*        G  29 -10.493 -14.904   7.246
  313    H1*    G  29           H1*        G  29 -11.197 -12.533   7.841
  314    H8     G  29           H8         G  29  -7.597 -11.157   8.264
  315    H1     G  29           H1         G  29 -10.667  -9.346   2.932
  316   1H2     G  29          H22         G  29 -12.618 -10.271   2.849
  317   2H2     G  29          H21         G  29 -13.201 -11.352   4.115
  318   1H5*    U  30          H5*         U  30 -13.218 -14.046   7.065
  319   2H5*    U  30          H5**        U  30 -14.008 -15.625   6.974
  320    H4*    U  30           H4*        U  30 -14.171 -14.800   4.852
  321    H3*    U  30           H3*        U  30 -11.830 -16.701   4.801
  322    H2*    U  30           H2*        U  30 -11.780 -16.301   2.463
  323   2HO*    U  30          2HO*        U  30 -13.712 -16.089   1.533
  324    H1*    U  30           H1*        U  30 -12.459 -13.544   2.731
  325    H3     U  30           H3         U  30  -8.472 -13.206   0.703
  326    H5     U  30           H5         U  30  -7.495 -14.762   4.470
  327    H6     U  30           H6         U  30  -9.864 -14.959   4.903
  328   1H5*    G  31          H5*         G  31 -15.374 -17.352   2.372
  329   2H5*    G  31          H5**        G  31 -15.622 -19.035   1.904
  330    H4*    G  31           H4*        G  31 -15.681 -17.206   0.099
  331    H3*    G  31           H3*        G  31 -14.233 -19.828  -0.237
  332    H2*    G  31           H2*        G  31 -13.750 -19.116  -2.459
  333   2HO*    G  31          2HO*        G  31 -15.614 -18.085  -3.130
  334    H1*    G  31           H1*        G  31 -13.053 -16.501  -1.738
  335    H8     G  31           H8         G  31 -11.487 -18.487   0.930
  336    H1     G  31           H1         G  31  -8.505 -19.116  -4.713
  337   1H2     G  31          H21         G  31  -9.503 -18.458  -6.160
  338   2H2     G  31          H22         G  31 -11.007 -17.695  -6.219
  339   1H5*    G  32          H5*         G  32 -17.319 -19.784  -3.064
  340   2H5*    G  32          H5**        G  32 -18.083 -21.339  -3.401
  341    H4*    G  32           H4*        G  32 -16.938 -20.196  -5.327
  342    H3*    G  32           H3*        G  32 -16.199 -23.064  -4.722
  343    H2*    G  32           H2*        G  32 -14.863 -22.922  -6.708
  344   2HO*    G  32          2HO*        G  32 -16.693 -21.485  -7.661
  345    H1*    G  32           H1*        G  32 -13.976 -20.281  -6.221
  346    H8     G  32           H8         G  32 -13.652 -22.335  -3.107
  347    H1     G  32           H1         G  32  -8.929 -23.259  -7.354
  348   1H2     G  32          H21         G  32  -9.275 -22.471  -9.040
  349   2H2     G  32          H22         G  32 -10.587 -21.530  -9.563
  350   1H5*    U  33          H5*         U  33 -18.008 -22.164  -8.913
  351   2H5*    U  33          H5**        U  33 -18.774 -23.674  -9.429
  352    H4*    U  33           H4*        U  33 -17.309 -22.639 -11.125
  353    H3*    U  33           H3*        U  33 -16.690 -25.473 -10.273
  354    H2*    U  33           H2*        U  33 -14.979 -25.438 -11.952
  355   2HO*    U  33          2HO*        U  33 -16.517 -23.967 -13.303
  356    H1*    U  33           H1*        U  33 -14.035 -22.885 -11.305
  357    H3     U  33           H3         U  33 -10.794 -25.837 -10.006
  358    H5     U  33           H5         U  33 -13.549 -25.751  -6.828
  359    H6     U  33           H6         U  33 -15.011 -24.480  -8.244
  360   1H5*    C  34          H5*         C  34 -17.054 -25.645 -14.458
  361   2H5*    C  34          H5**        C  34 -17.815 -27.173 -14.925
  362    H4*    C  34           H4*        C  34 -15.490 -26.775 -15.813
  363    H3*    C  34           H3*        C  34 -16.087 -29.296 -14.272
  364    H2*    C  34           H2*        C  34 -13.864 -29.951 -14.670
  365   2HO*    C  34          2HO*        C  34 -13.047 -29.494 -16.589
  366    H1*    C  34           H1*        C  34 -12.790 -27.308 -14.491
  367   1H4     C  34          H42         C  34 -10.743 -30.559  -9.474
  368   2H4     C  34          H41         C  34 -12.048 -29.912  -8.487
  369    H5     C  34           H5         C  34 -13.863 -28.586  -9.479
  370    H6     C  34           H6         C  34 -14.720 -27.660 -11.577
  371   1H5*    C  35          H5*         C  35 -14.648 -29.640 -18.478
  372   2H5*    C  35          H5**        C  35 -14.840 -31.243 -19.178
  373    H4*    C  35           H4*        C  35 -12.500 -29.950 -18.835
  374    H3*    C  35           H3*        C  35 -12.944 -32.207 -20.140
  375    H2*    C  35           H2*        C  35 -13.233 -33.534 -18.071
  376   2HO*    C  35          2HO*        C  35 -10.750 -34.347 -17.877
  377    H1*    C  35           H1*        C  35 -10.633 -32.168 -17.163
  378   1H4     C  35          H41         C  35 -11.640 -36.129 -12.433
  379   2H4     C  35          H42         C  35 -12.989 -35.385 -11.750
  380    H5     C  35           H5         C  35 -14.064 -33.396 -13.210
  381    H6     C  35           H6         C  35 -13.694 -32.091 -15.246
  382    H3T    C  35           H3T        C  35 -10.640 -32.508 -20.068
  383   1H5*    A  36          H5*         A  36  -8.956 -14.703  -6.616
  384   2H5*    A  36          H5**        A  36 -10.662 -14.804  -7.031
  385    H4*    A  36           H4*        A  36 -11.334 -13.736  -5.231
  386    H3*    A  36           H3*        A  36  -8.971 -11.859  -5.375
  387    H2*    A  36           H2*        A  36  -9.773 -11.160  -3.193
  388   2HO*    A  36          2HO*        A  36 -11.982 -11.466  -3.054
  389    H1*    A  36           H1*        A  36  -9.774 -13.783  -2.314
  390    H8     A  36           H8         A  36  -7.039 -13.617  -4.824
  391   1H6     A  36          H61         A  36  -3.506 -11.011  -0.426
  392   2H6     A  36          H62         A  36  -3.459 -11.726  -2.032
  393    H2     A  36           H2         A  36  -7.648 -11.087   1.045
  394    H5T    A  36           H5T        A  36 -10.255 -12.358  -7.437
  395   1H5*    C  37          H5*         C  37 -13.161 -10.388  -5.369
  396   2H5*    C  37          H5**        C  37 -13.471  -8.654  -5.546
  397    H4*    C  37           H4*        C  37 -14.567  -9.759  -3.576
  398    H3*    C  37           H3*        C  37 -12.773  -7.365  -3.117
  399    H2*    C  37           H2*        C  37 -13.376  -7.554  -0.803
  400   2HO*    C  37          2HO*        C  37 -15.649  -8.246  -1.609
  401    H1*    C  37           H1*        C  37 -13.273 -10.366  -0.733
  402   1H4     C  37          H42         C  37  -7.961  -8.449   1.991
  403   2H4     C  37          H41         C  37  -7.113  -8.324   0.446
  404    H5     C  37           H5         C  37  -8.298  -8.651  -1.677
  405    H6     C  37           H6         C  37 -10.464  -9.143  -2.664
  406   1H5*    U  38          H5*         U  38 -16.905  -6.967  -1.383
  407   2H5*    U  38          H5**        U  38 -17.318  -5.257  -1.517
  408    H4*    U  38           H4*        U  38 -17.616  -6.278   0.736
  409    H3*    U  38           H3*        U  38 -15.935  -3.773   0.502
  410    H2*    U  38           H2*        U  38 -15.857  -3.825   2.893
  411   2HO*    U  38          2HO*        U  38 -18.235  -4.731   2.758
  412    H1*    U  38           H1*        U  38 -15.617  -6.640   3.060
  413    H3     U  38           H3         U  38 -11.827  -4.888   4.933
  414    H5     U  38           H5         U  38 -11.108  -4.929   0.810
  415    H6     U  38           H6         U  38 -13.417  -5.494   0.478
  416   1H5*    G  39          H5*         G  39 -18.858  -2.932   3.382
  417   2H5*    G  39          H5**        G  39 -19.396  -1.270   3.139
  418    H4*    G  39           H4*        G  39 -18.630  -1.612   5.382
  419    H3*    G  39           H3*        G  39 -16.908   0.308   3.836
  420    H2*    G  39           H2*        G  39 -15.819   0.719   5.893
  421   2HO*    G  39          2HO*        G  39 -17.147   0.765   7.597
  422    H1*    G  39           H1*        G  39 -15.956  -1.997   6.739
  423    H8     G  39           H8         G  39 -14.591  -1.188   3.259
  424    H1     G  39           H1         G  39 -10.351  -1.200   8.051
  425   1H2     G  39          H21         G  39 -11.108  -1.391   9.706
  426   2H2     G  39          H22         G  39 -12.692  -1.595  10.236
  427   1H5*    G  40          H5*         G  40 -19.021   1.773   7.417
  428   2H5*    G  40          H5**        G  40 -19.592   3.425   7.113
  429    H4*    G  40           H4*        G  40 -18.525   3.221   9.309
  430    H3*    G  40           H3*        G  40 -17.247   5.042   7.265
  431    H2*    G  40           H2*        G  40 -15.622   5.599   8.935
  432   2HO*    G  40          2HO*        G  40 -17.652   5.364  10.538
  433    H1*    G  40           H1*        G  40 -15.506   2.976  10.087
  434    H8     G  40           H8         G  40 -15.133   3.407   6.277
  435    H1     G  40           H1         G  40  -9.654   3.281   9.636
  436   1H2     G  40          H22         G  40 -10.042   3.300  11.764
  437   2H2     G  40          H21         G  40 -11.689   3.316  12.367
  438   1H5*    C  41          H5*         C  41 -15.633   7.329   7.610
  439   2H5*    C  41          H5**        C  41 -16.715   7.484   9.009
  440    H4*    C  41           H4*        C  41 -17.331   9.763   7.893
  441    H3*    C  41           H3*        C  41 -15.551   9.476   5.971
  442    H2*    C  41           H2*        C  41 -13.860   8.544   7.584
  443   2HO*    C  41          2HO*        C  41 -13.158  10.573   6.177
  444    H1*    C  41           H1*        C  41 -14.436  11.126   9.095
  445   1H4     C  41          H42         C  41 -10.646   8.921  13.607
  446   2H4     C  41          H41         C  41 -11.266   7.279  13.485
  447    H5     C  41           H5         C  41 -12.937   6.688  11.826
  448    H6     C  41           H6         C  41 -14.310   7.563   9.996
  449   1H5*    U  42          H5*         U  42 -13.903  13.091   5.732
  450   2H5*    U  42          H5**        U  42 -14.074  13.650   4.062
  451    H4*    U  42           H4*        U  42 -11.864  12.516   4.937
  452    H3*    U  42           H3*        U  42 -13.020  11.966   2.190
  453    H2*    U  42           H2*        U  42 -10.924  10.811   1.843
  454   2HO*    U  42          2HO*        U  42  -9.284  10.841   3.444
  455    H1*    U  42           H1*        U  42 -11.180   9.452   4.297
  456    H3     U  42           H3         U  42 -11.978   6.329   1.104
  457    H5     U  42           H5         U  42 -15.491   8.599   1.183
  458    H6     U  42           H6         U  42 -14.390  10.126   2.688
  459   1H5*    U  43          H5*         U  43  -9.147  14.388   3.024
  460   2H5*    U  43          H5**        U  43  -9.047  15.531   1.679
  461    H4*    U  43           H4*        U  43  -6.868  15.018   2.314
  462    H3*    U  43           H3*        U  43  -7.458  13.543  -0.266
  463    H2*    U  43           H2*        U  43  -5.022  13.203  -0.268
  464   2HO*    U  43          2HO*        U  43  -4.587  15.235   1.012
  465    H1*    U  43           H1*        U  43  -5.187  12.061   2.220
  466    H3     U  43           H3         U  43  -5.318   8.931  -1.249
  467    H5     U  43           H5         U  43  -9.254   9.507   0.048
  468    H6     U  43           H6         U  43  -8.488  11.400   1.317
  469   1H5*    G  44          H5*         G  44  -4.418  15.312  -1.301
  470   2H5*    G  44          H5**        G  44  -4.736  16.609  -2.444
  471    H4*    G  44           H4*        G  44  -3.561  15.749  -4.032
  472    H3*    G  44           H3*        G  44  -4.375  12.901  -3.480
  473    H2*    G  44           H2*        G  44  -2.515  12.361  -4.892
  474   2HO*    G  44          2HO*        G  44  -2.316  13.766  -6.569
  475    H1*    G  44           H1*        G  44  -0.997  14.549  -3.876
  476    H8     G  44           H8         G  44  -2.385  12.080  -1.307
  477    H1     G  44           H1         G  44   3.434  10.788  -3.710
  478   1H2     G  44          H21         G  44   3.896  11.955  -5.174
  479   2H2     G  44          H22         G  44   3.034  13.236  -5.866
  480   1H5*    U  45          H5*         U  45  -4.083  14.838  -7.456
  481   2H5*    U  45          H5**        U  45  -5.139  14.076  -8.666
  482    H4*    U  45           H4*        U  45  -2.978  14.596  -9.643
  483    H3*    U  45           H3*        U  45  -3.614  11.656  -9.300
  484    H2*    U  45           H2*        U  45  -1.569  11.180 -10.346
  485   2HO*    U  45          2HO*        U  45  -2.040  13.320 -11.744
  486    H1*    U  45           H1*        U  45  -0.109  13.203  -9.143
  487    H3     U  45           H3         U  45   2.010   9.824  -7.111
  488    H5     U  45           H5         U  45  -1.978   9.311  -5.893
  489    H6     U  45           H6         U  45  -2.585  11.137  -7.297
  490   1H5*    G  46          H5*         G  46  -2.825  11.613 -13.052
  491   2H5*    G  46          H5**        G  46  -3.827  10.454 -13.929
  492    H4*    G  46           H4*        G  46  -1.407   9.890 -13.796
  493    H3*    G  46           H3*        G  46  -3.392   7.854 -12.795
  494    H2*    G  46           H2*        G  46  -1.512   6.425 -12.465
  495   2HO*    G  46          2HO*        G  46  -0.084   6.592 -14.100
  496    H1*    G  46           H1*        G  46   0.209   8.551 -11.592
  497    H8     G  46           H8         G  46  -3.113   8.510  -9.841
  498    H1     G  46           H1         G  46   1.502   4.851  -7.302
  499   1H2     G  46          H21         G  46   3.013   4.693  -8.401
  500   2H2     G  46          H22         G  46   3.362   5.345  -9.916
  501   1H5*    G  47          H5*         G  47  -0.920   7.020 -16.242
  502   2H5*    G  47          H5**        G  47  -1.596   5.870 -17.404
  503    H4*    G  47           H4*        G  47   0.687   5.298 -16.735
  504    H3*    G  47           H3*        G  47  -1.449   3.292 -15.998
  505    H2*    G  47           H2*        G  47   0.348   1.881 -15.292
  506   2HO*    G  47          2HO*        G  47   1.712   2.742 -17.168
  507    H1*    G  47           H1*        G  47   1.773   3.966 -14.048
  508    H8     G  47           H8         G  47  -2.030   3.860 -13.502
  509    H1     G  47           H1         G  47   1.520   0.635  -9.231
  510   1H2     G  47          H22         G  47   3.585   0.596  -9.787
  511   2H2     G  47          H21         G  47   4.105   1.357 -11.277
  512   1H5*    C  48          H5*         C  48   1.448   1.532 -18.643
  513   2H5*    C  48          H5**        C  48   0.676   0.474 -19.838
  514    H4*    C  48           H4*        C  48   2.499  -0.651 -18.679
  515    H3*    C  48           H3*        C  48  -0.265  -1.791 -18.307
  516    H2*    C  48           H2*        C  48   0.693  -3.468 -16.903
  517   2HO*    C  48          2HO*        C  48   2.595  -3.862 -18.189
  518    H1*    C  48           H1*        C  48   2.527  -1.797 -15.605
  519   1H4     C  48          H42         C  48  -2.104  -2.006 -11.327
  520   2H4     C  48          H41         C  48  -3.159  -0.958 -12.268
  521    H5     C  48           H5         C  48  -2.533  -0.208 -14.520
  522    H6     C  48           H6         C  48  -0.798  -0.324 -16.210
  523   1H5*    G  49          H5*         G  49   3.422  -3.457 -20.331
  524   2H5*    G  49          H5**        G  49   3.178  -4.897 -21.320
  525    H4*    G  49           H4*        G  49   5.173  -4.592 -19.584
  526    H3*    G  49           H3*        G  49   4.722  -6.641 -21.180
  527    H2*    G  49           H2*        G  49   2.777  -7.409 -19.835
  528   2HO*    G  49          2HO*        G  49   5.217  -8.801 -19.451
  529    H1*    G  49           H1*        G  49   4.743  -7.155 -17.465
  530    H8     G  49           H8         G  49   1.223  -5.751 -17.541
  531    H1     G  49           H1         G  49   1.831 -11.115 -14.074
  532   1H2     G  49          H21         G  49   3.796 -12.008 -14.409
  533   2H2     G  49          H22         G  49   4.962 -11.277 -15.496
  534    H3T    G  49           H3T        G  49   6.693  -6.397 -20.266
  Start of MODEL   14
    1   1H5*    G   1          H5*         G   1 -13.910 -37.184  -6.655
    2   2H5*    G   1          H5**        G   1 -12.238 -36.967  -6.145
    3    H4*    G   1           H4*        G   1 -11.999 -37.208  -8.343
    4    H3*    G   1           H3*        G   1 -11.337 -34.680  -7.511
    5    H2*    G   1           H2*        G   1 -12.934 -33.393  -8.599
    6   2HO*    G   1          2HO*        G   1 -10.914 -33.695 -10.178
    7    H1*    G   1           H1*        G   1 -13.521 -35.339 -10.823
    8    H8     G   1           H8         G   1 -15.500 -34.683  -7.630
    9    H1     G   1           H1         G   1 -17.928 -32.042 -12.916
   10   1H2     G   1          H21         G   1 -16.860 -32.222 -14.428
   11   2H2     G   1          H22         G   1 -15.355 -32.896 -14.717
   12    H5T    G   1           H5T        G   1 -12.689 -35.017  -5.483
   13   1H5*    G   2          H5*         G   2  -8.691 -34.223 -11.267
   14   2H5*    G   2          H5**        G   2  -7.275 -33.552 -10.448
   15    H4*    G   2           H4*        G   2  -7.990 -31.952 -12.012
   16    H3*    G   2           H3*        G   2  -8.844 -31.028  -9.260
   17    H2*    G   2           H2*        G   2  -9.506 -29.018 -10.369
   18   2HO*    G   2          2HO*        G   2  -8.268 -28.417 -12.040
   19    H1*    G   2           H1*        G   2 -10.533 -30.420 -12.612
   20    H8     G   2           H8         G   2 -11.422 -31.443  -8.977
   21    H1     G   2           H1         G   2 -15.597 -27.668 -12.049
   22   1H2     G   2          H22         G   2 -14.766 -27.068 -13.994
   23   2H2     G   2          H21         G   2 -13.179 -27.623 -14.508
   24   1H5*    A   3          H5*         A   3  -5.942 -28.644 -11.589
   25   2H5*    A   3          H5**        A   3  -4.996 -27.534 -10.586
   26    H4*    A   3           H4*        A   3  -6.086 -26.472 -12.556
   27    H3*    A   3           H3*        A   3  -6.658 -25.400  -9.805
   28    H2*    A   3           H2*        A   3  -8.110 -23.816 -10.790
   29   2HO*    A   3          2HO*        A   3  -7.126 -22.940 -12.533
   30    H1*    A   3           H1*        A   3  -8.990 -25.482 -12.916
   31    H8     A   3           H8         A   3  -9.316 -26.795  -9.324
   32   1H6     A   3          H61         A   3 -15.162 -24.641  -9.853
   33   2H6     A   3          H62         A   3 -14.218 -25.487  -8.742
   34    H2     A   3           H2         A   3 -12.918 -23.350 -13.366
   35   1H5*    C   4          H5*         C   4  -5.106 -22.768 -12.703
   36   2H5*    C   4          H5**        C   4  -3.935 -21.552 -12.167
   37    H4*    C   4           H4*        C   4  -5.848 -20.608 -13.447
   38    H3*    C   4           H3*        C   4  -5.093 -19.680 -10.728
   39    H2*    C   4           H2*        C   4  -7.013 -18.454 -10.419
   40   2HO*    C   4          2HO*        C   4  -7.073 -17.117 -12.157
   41    H1*    C   4           H1*        C   4  -8.763 -19.903 -12.162
   42   1H4     C   4          H41         C   4 -11.208 -20.469  -6.493
   43   2H4     C   4          H42         C   4 -10.394 -21.901  -6.025
   44    H5     C   4           H5         C   4  -8.401 -22.659  -7.622
   45    H6     C   4           H6         C   4  -7.336 -22.109  -9.737
   46   1H5*    C   5          H5*         C   5  -5.573 -16.319 -13.190
   47   2H5*    C   5          H5**        C   5  -4.274 -15.119 -13.053
   48    H4*    C   5           H4*        C   5  -6.488 -14.146 -12.509
   49    H3*    C   5           H3*        C   5  -4.217 -14.059 -11.006
   50    H2*    C   5           H2*        C   5  -4.828 -14.867  -9.006
   51   2HO*    C   5          2HO*        C   5  -6.515 -12.573  -9.096
   52    H1*    C   5           H1*        C   5  -7.816 -14.543  -9.591
   53   1H4     C   5          H42         C   5  -7.680 -19.076  -5.008
   54   2H4     C   5          H41         C   5  -6.150 -19.622  -5.641
   55    H5     C   5           H5         C   5  -4.997 -18.676  -7.500
   56    H6     C   5           H6         C   5  -5.066 -17.001  -9.222
   57   1H5*    C   6          H5*         C   6  -4.310 -11.658  -7.877
   58   2H5*    C   6          H5**        C   6  -3.080 -10.484  -8.285
   59    H4*    C   6           H4*        C   6  -2.823 -12.078  -6.258
   60    H3*    C   6           H3*        C   6  -1.028 -10.378  -7.084
   61    H2*    C   6           H2*        C   6  -0.512 -11.801  -9.076
   62   2HO*    C   6          2HO*        C   6   1.394 -11.442  -7.163
   63    H1*    C   6           H1*        C   6   0.006 -14.044  -7.038
   64   1H4     C   6          H41         C   6   1.064 -16.806 -12.761
   65   2H4     C   6          H42         C   6  -0.645 -16.580 -13.145
   66    H5     C   6           H5         C   6  -2.181 -15.371 -11.713
   67    H6     C   6           H6         C   6  -2.304 -14.134  -9.591
   68   1H5*    G   7          H5*         G   7   2.750 -12.248  -5.699
   69   2H5*    G   7          H5**        G   7   3.226 -11.026  -4.509
   70    H4*    G   7           H4*        G   7   4.860 -11.371  -6.344
   71    H3*    G   7           H3*        G   7   3.755  -8.618  -5.833
   72    H2*    G   7           H2*        G   7   5.038  -7.821  -7.658
   73   2HO*    G   7          2HO*        G   7   6.764  -9.617  -6.905
   74    H1*    G   7           H1*        G   7   4.655  -9.995  -9.352
   75    H8     G   7           H8         G   7   1.232  -9.392  -8.144
   76    H1     G   7           H1         G   7   3.293  -4.800 -12.141
   77   1H2     G   7          H22         G   7   5.435  -4.965 -12.418
   78   2H2     G   7          H21         G   7   6.380  -6.203 -11.590
   79   1H5*    C   8          H5*         C   8   8.389  -8.532  -5.850
   80   2H5*    C   8          H5**        C   8   8.763  -7.324  -4.618
   81    H4*    C   8           H4*        C   8   9.955  -7.009  -6.735
   82    H3*    C   8           H3*        C   8   8.210  -4.684  -5.887
   83    H2*    C   8           H2*        C   8   9.332  -3.529  -7.709
   84   2HO*    C   8          2HO*        C   8  11.322  -5.045  -7.389
   85    H1*    C   8           H1*        C   8   8.652  -5.494  -9.498
   86   1H4     C   8          H41         C   8   3.780  -1.512  -8.957
   87   2H4     C   8          H42         C   8   2.762  -2.641  -8.221
   88    H5     C   8           H5         C   8   3.884  -4.879  -7.395
   89    H6     C   8           H6         C   8   5.999  -6.088  -7.410
   90   1H5*    C   9          H5*         C   9  11.893  -3.149  -7.031
   91   2H5*    C   9          H5**        C   9  12.416  -1.983  -5.808
   92    H4*    C   9           H4*        C   9  12.302  -1.196  -8.216
   93    H3*    C   9           H3*        C   9  11.190   0.374  -5.911
   94    H2*    C   9           H2*        C   9  10.393   2.009  -7.453
   95   2HO*    C   9          2HO*        C   9  12.567   1.397  -8.708
   96    H1*    C   9           H1*        C   9   9.606   0.227  -9.494
   97   1H4     C   9          H42         C   9   3.967   1.415  -6.568
   98   2H4     C   9          H41         C   9   4.456   0.245  -5.380
   99    H5     C   9           H5         C   9   6.539  -0.823  -5.235
  100    H6     C   9           H6         C   9   8.719  -1.052  -6.227
  101   1H5*    A  10          H5*         A  10  14.192   2.891  -7.834
  102   2H5*    A  10          H5**        A  10  15.091   3.825  -6.627
  103    H4*    A  10           H4*        A  10  13.992   5.282  -8.235
  104    H3*    A  10           H3*        A  10  13.068   5.492  -5.387
  105    H2*    A  10           H2*        A  10  11.440   7.050  -6.029
  106   2HO*    A  10          2HO*        A  10  12.337   8.562  -7.312
  107    H1*    A  10           H1*        A  10  11.036   6.010  -8.665
  108    H8     A  10           H8         A  10  10.494   3.723  -5.597
  109   1H6     A  10          H61         A  10   4.506   5.168  -6.678
  110   2H6     A  10          H62         A  10   5.319   4.154  -5.612
  111    H2     A  10           H2         A  10   6.893   7.548  -9.294
  112   1H5*    C  11          H5*         C  11  14.435   9.198  -7.286
  113   2H5*    C  11          H5**        C  11  15.218  10.332  -6.170
  114    H4*    C  11           H4*        C  11  13.305  11.247  -7.555
  115    H3*    C  11           H3*        C  11  13.542  11.662  -4.613
  116    H2*    C  11           H2*        C  11  11.315  12.410  -4.412
  117   2HO*    C  11          2HO*        C  11  11.971  13.662  -6.584
  118    H1*    C  11           H1*        C  11  10.207  11.072  -6.668
  119   1H4     C  11          H42         C  11   7.201   8.110  -1.884
  120   2H4     C  11          H41         C  11   8.622   7.129  -1.648
  121    H5     C  11           H5         C  11  10.692   7.425  -2.811
  122    H6     C  11           H6         C  11  11.864   8.761  -4.450
  123   1H5*    U  12          H5*         U  12  12.090  15.527  -5.919
  124   2H5*    U  12          H5**        U  12  13.310  16.675  -5.357
  125    H4*    U  12           H4*        U  12  11.013  17.265  -4.735
  126    H3*    U  12           H3*        U  12  13.128  17.050  -2.627
  127    H2*    U  12           H2*        U  12  11.498  17.512  -0.959
  128   2HO*    U  12          2HO*        U  12  10.402  18.940  -2.860
  129    H1*    U  12           H1*        U  12   9.408  16.003  -2.042
  130    H3     U  12           H3         U  12  10.977  14.151   1.951
  131    H5     U  12           H5         U  12  12.800  12.110  -1.248
  132    H6     U  12           H6         U  12  11.986  13.800  -2.689
  133   1H5*    G  13          H5*         G  13  11.041  20.674  -2.372
  134   2H5*    G  13          H5**        G  13  11.903  21.997  -1.603
  135    H4*    G  13           H4*        G  13   9.774  20.844  -0.588
  136    H3*    G  13           H3*        G  13  11.456  22.725   0.437
  137    H2*    G  13           H2*        G  13  12.735  21.406   1.866
  138   2HO*    G  13          2HO*        G  13  10.453  22.217   3.082
  139    H1*    G  13           H1*        G  13  10.566  19.343   2.378
  140    H8     G  13           H8         G  13  13.608  18.809   0.202
  141    H1     G  13           H1         G  13  14.318  16.506   6.127
  142   1H2     G  13          H21         G  13  12.929  17.003   7.308
  143   2H2     G  13          H22         G  13  11.530  17.913   7.078
  144   1H5*    C  14          H5*         C  14   7.734  23.171   3.420
  145   2H5*    C  14          H5**        C  14   7.796  24.906   3.735
  146    H4*    C  14           H4*        C  14   7.900  23.622   5.764
  147    H3*    C  14           H3*        C  14  10.397  25.228   5.301
  148    H2*    C  14           H2*        C  14  11.147  24.382   7.378
  149   2HO*    C  14          2HO*        C  14   9.288  24.747   8.611
  150    H1*    C  14           H1*        C  14   9.804  21.857   7.106
  151   1H4     C  14          H41         C  14  15.677  19.981   6.935
  152   2H4     C  14          H42         C  14  16.317  21.000   5.755
  153    H5     C  14           H5         C  14  14.594  22.689   4.634
  154    H6     C  14           H6         C  14  12.277  23.469   4.784
  155   1H5*    A  15          H5*         A  15   8.065  25.950   9.547
  156   2H5*    A  15          H5**        A  15   8.565  27.636   9.786
  157    H4*    A  15           H4*        A  15   8.957  26.087  11.725
  158    H3*    A  15           H3*        A  15  11.169  27.804  10.617
  159    H2*    A  15           H2*        A  15  12.646  26.873  12.226
  160   2HO*    A  15          2HO*        A  15  10.667  26.906  13.802
  161    H1*    A  15           H1*        A  15  11.646  24.255  12.111
  162    H8     A  15           H8         A  15  12.317  26.136   8.806
  163   1H6     A  15          H62         A  15  17.673  22.951   8.827
  164   2H6     A  15          H61         A  15  16.666  24.047   7.887
  165    H2     A  15           H2         A  15  15.574  22.171  12.655
  166   1H5*    G  16          H5*         G  16  11.870  28.573  14.645
  167   2H5*    G  16          H5**        G  16  12.056  30.330  14.710
  168    H4*    G  16           H4*        G  16  14.022  29.351  15.539
  169    H3*    G  16           H3*        G  16  14.572  30.472  12.779
  170    H2*    G  16           H2*        G  16  16.901  30.129  13.451
  171   2HO*    G  16          2HO*        G  16  17.319  29.088  15.521
  172    H1*    G  16           H1*        G  16  16.320  27.466  14.105
  173    H8     G  16           H8         G  16  14.216  29.094  11.353
  174    H1     G  16           H1         G  16  19.196  25.634   9.266
  175   1H2     G  16          H22         G  16  20.394  24.980  10.903
  176   2H2     G  16          H21         G  16  19.998  25.377  12.564
  177   1H5*    A  17          H5*         A  17  16.744  33.645  11.735
  178   2H5*    A  17          H5**        A  17  16.860  32.097  12.586
  179    H4*    A  17           H4*        A  17  18.569  34.487  12.752
  180    H3*    A  17           H3*        A  17  19.014  31.533  13.186
  181    H2*    A  17           H2*        A  17  20.823  32.048  14.615
  182   2HO*    A  17          2HO*        A  17  21.329  33.892  12.930
  183    H1*    A  17           H1*        A  17  19.695  34.383  15.735
  184    H8     A  17           H8         A  17  17.081  31.798  15.975
  185   1H6     A  17          H62         A  17  19.957  29.842  21.138
  186   2H6     A  17          H61         A  17  18.475  29.700  20.193
  187    H2     A  17           H2         A  17  22.654  32.642  19.060
  188   1H5*    G  18          H5*         G  18  23.575  29.895  11.060
  189   2H5*    G  18          H5**        G  18  22.011  29.171  11.457
  190    H4*    G  18           H4*        G  18  24.023  30.419  13.305
  191    H3*    G  18           H3*        G  18  22.714  27.684  13.258
  192    H2*    G  18           H2*        G  18  23.111  27.641  15.612
  193   2HO*    G  18          2HO*        G  18  25.265  28.942  15.043
  194    H1*    G  18           H1*        G  18  22.499  30.387  15.968
  195    H8     G  18           H8         G  18  19.591  29.315  14.070
  196    H1     G  18           H1         G  18  19.686  26.779  19.969
  197   1H2     G  18          H21         G  18  21.682  27.004  20.846
  198   2H2     G  18          H22         G  18  22.982  27.780  19.962
  199   1H5*    A  19          H5*         A  19  25.484  26.686  15.894
  200   2H5*    A  19          H5**        A  19  26.208  25.167  15.339
  201    H4*    A  19           H4*        A  19  25.221  24.825  17.489
  202    H3*    A  19           H3*        A  19  23.782  23.417  15.237
  203    H2*    A  19           H2*        A  19  22.316  22.494  16.885
  204   2HO*    A  19          2HO*        A  19  24.367  22.502  18.418
  205    H1*    A  19           H1*        A  19  21.961  24.864  18.309
  206    H8     A  19           H8         A  19  22.162  25.499  14.592
  207   1H6     A  19          H62         A  19  16.012  24.737  14.496
  208   2H6     A  19          H61         A  19  17.391  25.252  13.531
  209    H2     A  19           H2         A  19  17.455  23.558  18.491
  210   1H5*    U  20          H5*         U  20  23.549  20.491  17.006
  211   2H5*    U  20          H5**        U  20  23.962  19.062  16.056
  212    H4*    U  20           H4*        U  20  21.555  19.328  16.602
  213    H3*    U  20           H3*        U  20  22.218  19.151  13.661
  214    H2*    U  20           H2*        U  20  19.856  18.830  13.435
  215   2HO*    U  20          2HO*        U  20  18.791  17.942  15.065
  216    H1*    U  20           H1*        U  20  19.291  20.938  15.211
  217    H3     U  20           H3         U  20  17.845  21.937  11.000
  218    H5     U  20           H5         U  20  21.927  22.854  10.965
  219    H6     U  20           H6         U  20  22.105  21.810  13.139
  220   1H5*    G  21          H5*         G  21  20.158  15.535  15.358
  221   2H5*    G  21          H5**        G  21  19.818  14.319  14.135
  222    H4*    G  21           H4*        G  21  17.992  15.716  15.452
  223    H3*    G  21           H3*        G  21  17.671  13.807  13.579
  224    H2*    G  21           H2*        G  21  17.585  15.235  11.664
  225   2HO*    G  21          2HO*        G  21  15.221  16.050  11.577
  226    H1*    G  21           H1*        G  21  16.096  17.360  13.253
  227    H8     G  21           H8         G  21  19.527  17.600  11.566
  228    H1     G  21           H1         G  21  14.728  20.582   8.504
  229   1H2     G  21          H22         G  21  12.838  20.102   9.404
  230   2H2     G  21          H21         G  21  12.746  19.054  10.805
  231   1H5*    C  22          H5*         C  22  13.224  14.668  14.759
  232   2H5*    C  22          H5**        C  22  12.502  13.068  14.962
  233    H4*    C  22           H4*        C  22  11.208  14.361  13.431
  234    H3*    C  22           H3*        C  22  12.578  12.050  12.071
  235    H2*    C  22           H2*        C  22  11.440  12.732  10.101
  236   2HO*    C  22          2HO*        C  22   9.367  13.244  10.600
  237    H1*    C  22           H1*        C  22  11.587  15.520  10.716
  238   1H4     C  22          H42         C  22  15.706  15.129   5.893
  239   2H4     C  22          H41         C  22  16.689  14.004   6.799
  240    H5     C  22           H5         C  22  16.136  13.156   8.955
  241    H6     C  22           H6         C  22  14.502  13.208  10.756
  242   1H5*    A  23          H5*         A  23   8.152  12.601  12.190
  243   2H5*    A  23          H5**        A  23   7.322  11.049  12.095
  244    H4*    A  23           H4*        A  23   6.400  12.872  10.692
  245    H3*    A  23           H3*        A  23   6.301  10.225  10.158
  246    H2*    A  23           H2*        A  23   8.177  10.247   8.656
  247   2HO*    A  23          2HO*        A  23   5.798   9.997   7.577
  248    H1*    A  23           H1*        A  23   7.100  12.934   7.589
  249    H8     A  23           H8         A  23  10.473  11.341   8.642
  250   1H6     A  23          H62         A  23  12.619  13.349   3.184
  251   2H6     A  23          H61         A  23  13.035  12.547   4.696
  252    H2     A  23           H2         A  23   8.319  14.404   3.410
  253   1H5*    A  24          H5*         A  24   4.413   8.865   6.457
  254   2H5*    A  24          H5**        A  24   3.355  10.252   6.790
  255    H4*    A  24           H4*        A  24   1.890   8.678   8.084
  256    H3*    A  24           H3*        A  24   3.674   6.530   6.893
  257    H2*    A  24           H2*        A  24   1.722   5.179   6.992
  258   2HO*    A  24          2HO*        A  24   1.078   6.407   9.043
  259    H1*    A  24           H1*        A  24   0.047   7.250   6.018
  260    H8     A  24           H8         A  24   2.047   8.015   3.479
  261   1H6     A  24          H61         A  24   1.438   2.474   0.740
  262   2H6     A  24          H62         A  24   1.922   4.143   0.471
  263    H2     A  24           H2         A  24   0.178   2.063   4.949
  264   1H5*    U  25          H5*         U  25   4.367   2.700   9.681
  265   2H5*    U  25          H5**        U  25   3.152   2.534   8.431
  266    H4*    U  25           H4*        U  25   2.870   4.061  10.992
  267    H3*    U  25           H3*        U  25   1.616   1.517  10.006
  268    H2*    U  25           H2*        U  25  -0.348   2.132  11.169
  269   2HO*    U  25          2HO*        U  25   1.328   3.025  12.910
  270    H1*    U  25           H1*        U  25   0.028   4.952  10.781
  271    H3     U  25           H3         U  25  -4.211   3.653   9.278
  272    H5     U  25           H5         U  25  -1.643   3.874   5.983
  273    H6     U  25           H6         U  25   0.184   3.980   7.521
  274   1H5*    C  26          H5*         C  26   1.374   1.143  14.252
  275   2H5*    C  26          H5**        C  26   1.694  -0.549  14.645
  276    H4*    C  26           H4*        C  26  -0.404  -0.010  15.495
  277    H3*    C  26           H3*        C  26  -0.772  -1.808  13.108
  278    H2*    C  26           H2*        C  26  -3.092  -1.739  13.635
  279   2HO*    C  26          2HO*        C  26  -2.227  -1.714  16.085
  280    H1*    C  26           H1*        C  26  -3.023   0.973  14.588
  281   1H4     C  26          H41         C  26  -6.251   1.800   9.317
  282   2H4     C  26          H42         C  26  -5.148   1.135   8.241
  283    H5     C  26           H5         C  26  -2.909   0.228   9.203
  284    H6     C  26           H6         C  26  -1.714  -0.190  11.300
  285   1H5*    C  27          H5*         C  27  -3.008  -3.747  15.754
  286   2H5*    C  27          H5**        C  27  -2.363  -5.383  15.898
  287    H4*    C  27           H4*        C  27  -4.615  -5.598  15.539
  288    H3*    C  27           H3*        C  27  -3.289  -6.313  12.924
  289    H2*    C  27           H2*        C  27  -5.475  -7.038  12.308
  290   2HO*    C  27          2HO*        C  27  -5.756  -7.777  14.706
  291    H1*    C  27           H1*        C  27  -6.743  -4.855  13.612
  292   1H4     C  27          H41         C  27  -7.313  -3.921   7.481
  293   2H4     C  27          H42         C  27  -5.924  -2.976   7.244
  294    H5     C  27           H5         C  27  -4.223  -2.893   9.317
  295    H6     C  27           H6         C  27  -3.995  -3.589  11.666
  296   1H5*    A  28          H5*         A  28  -5.414  -9.752  14.327
  297   2H5*    A  28          H5**        A  28  -4.712 -11.224  13.655
  298    H4*    A  28           H4*        A  28  -7.114 -10.786  13.094
  299    H3*    A  28           H3*        A  28  -5.205 -11.270  10.814
  300    H2*    A  28           H2*        A  28  -7.120 -11.216   9.419
  301   2HO*    A  28          2HO*        A  28  -8.857 -12.155  10.268
  302    H1*    A  28           H1*        A  28  -8.391  -9.103  10.849
  303    H8     A  28           H8         A  28  -4.741  -9.277   9.509
  304   1H6     A  28          H62         A  28  -6.829  -5.448   5.093
  305   2H6     A  28          H61         A  28  -5.417  -6.284   5.726
  306    H2     A  28           H2         A  28 -10.251  -6.494   7.734
  307   1H5*    G  29          H5*         G  29  -8.494 -14.360  11.499
  308   2H5*    G  29          H5**        G  29  -8.308 -15.738  10.412
  309    H4*    G  29           H4*        G  29 -10.385 -13.991  10.414
  310    H3*    G  29           H3*        G  29 -10.224 -16.240   9.063
  311    H2*    G  29           H2*        G  29  -8.360 -15.202   7.720
  312   2HO*    G  29          2HO*        G  29 -10.847 -15.610   6.380
  313    H1*    G  29           H1*        G  29 -10.539 -13.075   7.222
  314    H8     G  29           H8         G  29  -6.721 -13.606   7.371
  315    H1     G  29           H1         G  29  -8.831  -9.635   2.788
  316   1H2     G  29          H22         G  29 -11.022  -9.527   2.877
  317   2H2     G  29          H21         G  29 -11.937 -10.421   4.076
  318   1H5*    U  30          H5*         U  30 -12.039 -14.044   5.787
  319   2H5*    U  30          H5**        U  30 -13.746 -14.497   5.879
  320    H4*    U  30           H4*        U  30 -12.924 -14.384   3.591
  321    H3*    U  30           H3*        U  30 -13.972 -17.034   4.563
  322    H2*    U  30           H2*        U  30 -13.723 -17.759   2.284
  323   2HO*    U  30          2HO*        U  30 -14.143 -15.952   1.064
  324    H1*    U  30           H1*        U  30 -11.128 -16.702   2.023
  325    H3     U  30           H3         U  30 -11.438 -21.466   2.846
  326    H5     U  30           H5         U  30  -9.355 -19.499   5.893
  327    H6     U  30           H6         U  30 -10.162 -17.405   4.974
  328   1H5*    G  31          H5*         G  31 -15.380 -14.208   1.036
  329   2H5*    G  31          H5**        G  31 -17.009 -14.717   0.567
  330    H4*    G  31           H4*        G  31 -15.993 -14.408  -1.432
  331    H3*    G  31           H3*        G  31 -15.728 -17.366  -0.943
  332    H2*    G  31           H2*        G  31 -14.850 -17.456  -3.143
  333   2HO*    G  31          2HO*        G  31 -16.092 -16.104  -4.392
  334    H1*    G  31           H1*        G  31 -13.461 -14.974  -2.878
  335    H8     G  31           H8         G  31 -12.661 -17.541  -0.098
  336    H1     G  31           H1         G  31  -9.262 -18.121  -5.501
  337   1H2     G  31          H21         G  31  -9.860 -17.029  -6.912
  338   2H2     G  31          H22         G  31 -11.120 -15.901  -6.961
  339   1H5*    G  32          H5*         G  32 -18.400 -15.592  -4.069
  340   2H5*    G  32          H5**        G  32 -19.821 -16.598  -4.429
  341    H4*    G  32           H4*        G  32 -18.642 -15.643  -6.448
  342    H3*    G  32           H3*        G  32 -19.072 -18.605  -6.166
  343    H2*    G  32           H2*        G  32 -17.884 -18.981  -8.147
  344   2HO*    G  32          2HO*        G  32 -18.184 -17.565  -9.731
  345    H1*    G  32           H1*        G  32 -15.913 -17.037  -7.750
  346    H8     G  32           H8         G  32 -16.911 -19.404  -4.859
  347    H1     G  32           H1         G  32 -11.929 -21.189  -8.435
  348   1H2     G  32          H21         G  32 -11.665 -20.041  -9.990
  349   2H2     G  32          H22         G  32 -12.469 -18.632 -10.464
  350   1H5*    U  33          H5*         U  33 -20.412 -17.014 -10.249
  351   2H5*    U  33          H5**        U  33 -21.612 -18.162 -10.864
  352    H4*    U  33           H4*        U  33 -19.658 -17.744 -12.363
  353    H3*    U  33           H3*        U  33 -20.290 -20.593 -11.574
  354    H2*    U  33           H2*        U  33 -18.476 -21.249 -12.978
  355   2HO*    U  33          2HO*        U  33 -19.146 -19.341 -14.492
  356    H1*    U  33           H1*        U  33 -16.746 -19.182 -12.192
  357    H3     U  33           H3         U  33 -14.773 -22.916 -10.580
  358    H5     U  33           H5         U  33 -17.938 -22.164  -7.898
  359    H6     U  33           H6         U  33 -18.698 -20.467  -9.415
  360   1H5*    C  34          H5*         C  34 -20.161 -20.772 -15.809
  361   2H5*    C  34          H5**        C  34 -21.395 -21.922 -16.352
  362    H4*    C  34           H4*        C  34 -19.038 -22.522 -16.948
  363    H3*    C  34           H3*        C  34 -20.681 -24.495 -15.372
  364    H2*    C  34           H2*        C  34 -18.836 -25.952 -15.439
  365   2HO*    C  34          2HO*        C  34 -17.699 -26.027 -17.243
  366    H1*    C  34           H1*        C  34 -16.871 -23.872 -15.296
  367   1H4     C  34          H42         C  34 -16.495 -27.048  -9.867
  368   2H4     C  34          H41         C  34 -17.691 -25.999  -9.112
  369    H5     C  34           H5         C  34 -18.927 -24.330 -10.414
  370    H6     C  34           H6         C  34 -19.214 -23.376 -12.654
  371   1H5*    C  35          H5*         C  35 -19.062 -25.737 -19.314
  372   2H5*    C  35          H5**        C  35 -19.783 -27.199 -19.976
  373    H4*    C  35           H4*        C  35 -17.179 -26.873 -19.355
  374    H3*    C  35           H3*        C  35 -18.337 -28.895 -20.623
  375    H2*    C  35           H2*        C  35 -19.298 -29.865 -18.572
  376   2HO*    C  35          2HO*        C  35 -17.317 -31.489 -18.020
  377    H1*    C  35           H1*        C  35 -16.499 -29.458 -17.365
  378   1H4     C  35          H41         C  35 -19.446 -32.422 -12.724
  379   2H4     C  35          H42         C  35 -20.519 -31.197 -12.266
  380    H5     C  35           H5         C  35 -20.622 -29.081 -13.924
  381    H6     C  35           H6         C  35 -19.550 -28.150 -15.916
  382    H3T    C  35           H3T        C  35 -16.332 -30.031 -20.245
  383   1H5*    A  36          H5*         A  36  -9.430 -13.131  -8.765
  384   2H5*    A  36          H5**        A  36 -10.266 -11.601  -8.981
  385    H4*    A  36           H4*        A  36 -10.758 -12.117  -6.842
  386    H3*    A  36           H3*        A  36  -8.387 -10.278  -6.589
  387    H2*    A  36           H2*        A  36  -8.799 -10.350  -4.267
  388   2HO*    A  36          2HO*        A  36 -10.930 -10.373  -3.772
  389    H1*    A  36           H1*        A  36  -9.459 -13.123  -4.303
  390    H8     A  36           H8         A  36  -6.305 -12.910  -6.152
  391   1H6     A  36          H61         A  36  -3.372 -12.597  -0.683
  392   2H6     A  36          H62         A  36  -3.133 -12.838  -2.413
  393    H2     A  36           H2         A  36  -7.670 -11.958   0.052
  394    H5T    A  36           H5T        A  36  -8.438 -10.655  -9.361
  395   1H5*    C  37          H5*         C  37 -12.365  -9.139  -5.175
  396   2H5*    C  37          H5**        C  37 -12.633  -7.388  -5.159
  397    H4*    C  37           H4*        C  37 -13.402  -8.559  -3.113
  398    H3*    C  37           H3*        C  37 -11.368  -6.357  -2.824
  399    H2*    C  37           H2*        C  37 -11.482  -6.684  -0.497
  400   2HO*    C  37          2HO*        C  37 -13.455  -7.040   0.279
  401    H1*    C  37           H1*        C  37 -11.900  -9.506  -0.670
  402   1H4     C  37          H42         C  37  -6.186  -8.864   1.865
  403   2H4     C  37          H41         C  37  -5.431  -8.921   0.272
  404    H5     C  37           H5         C  37  -6.764  -8.906  -1.754
  405    H6     C  37           H6         C  37  -9.034  -8.838  -2.648
  406   1H5*    U  38          H5*         U  38 -15.147  -5.964  -0.667
  407   2H5*    U  38          H5**        U  38 -15.571  -4.277  -0.385
  408    H4*    U  38           H4*        U  38 -15.593  -5.725   1.625
  409    H3*    U  38           H3*        U  38 -14.045  -3.166   1.636
  410    H2*    U  38           H2*        U  38 -13.283  -3.652   3.788
  411   2HO*    U  38          2HO*        U  38 -15.277  -4.114   4.756
  412    H1*    U  38           H1*        U  38 -13.369  -6.516   3.546
  413    H3     U  38           H3         U  38  -9.244  -5.608   5.236
  414    H5     U  38           H5         U  38  -8.945  -4.734   1.146
  415    H6     U  38           H6         U  38 -11.347  -4.993   0.999
  416   1H5*    G  39          H5*         G  39 -17.047  -3.796   5.284
  417   2H5*    G  39          H5**        G  39 -17.609  -2.121   5.447
  418    H4*    G  39           H4*        G  39 -16.791  -3.094   7.563
  419    H3*    G  39           H3*        G  39 -15.426  -0.631   6.469
  420    H2*    G  39           H2*        G  39 -14.128  -0.592   8.462
  421   2HO*    G  39          2HO*        G  39 -16.276  -1.536   9.575
  422    H1*    G  39           H1*        G  39 -13.869  -3.391   8.656
  423    H8     G  39           H8         G  39 -13.119  -1.343   5.432
  424    H1     G  39           H1         G  39  -8.130  -3.130   9.009
  425   1H2     G  39          H21         G  39  -8.624  -4.031  10.584
  426   2H2     G  39          H22         G  39 -10.103  -4.483  11.240
  427   1H5*    G  40          H5*         G  40 -16.494   0.450  10.346
  428   2H5*    G  40          H5**        G  40 -17.185   2.076  10.223
  429    H4*    G  40           H4*        G  40 -15.458   2.268  11.746
  430    H3*    G  40           H3*        G  40 -14.461   3.313   9.088
  431    H2*    G  40           H2*        G  40 -12.508   3.962  10.313
  432   2HO*    G  40          2HO*        G  40 -12.461   4.111  12.535
  433    H1*    G  40           H1*        G  40 -12.576   1.583  11.935
  434    H8     G  40           H8         G  40 -12.683   1.412   8.092
  435    H1     G  40           H1         G  40  -6.904   0.963  10.887
  436   1H2     G  40          H22         G  40  -7.027   1.365  12.990
  437   2H2     G  40          H21         G  40  -8.589   1.719  13.715
  438   1H5*    C  41          H5*         C  41 -12.629   5.762   8.100
  439   2H5*    C  41          H5**        C  41 -13.192   5.723   9.780
  440    H4*    C  41           H4*        C  41 -14.319   8.017   8.623
  441    H3*    C  41           H3*        C  41 -12.233   7.868   7.017
  442    H2*    C  41           H2*        C  41 -10.857   6.950   8.898
  443   2HO*    C  41          2HO*        C  41 -10.050   9.054   7.635
  444    H1*    C  41           H1*        C  41 -11.848   9.543  10.203
  445   1H4     C  41          H42         C  41  -8.179   8.133  15.129
  446   2H4     C  41          H41         C  41  -8.511   6.414  15.010
  447    H5     C  41           H5         C  41  -9.891   5.488  13.267
  448    H6     C  41           H6         C  41 -11.241   6.036  11.307
  449   1H5*    U  42          H5*         U  42 -10.882  11.444   7.341
  450   2H5*    U  42          H5**        U  42 -10.470  12.231   5.814
  451    H4*    U  42           H4*        U  42  -8.912  10.424   6.919
  452    H3*    U  42           H3*        U  42  -9.266  10.821   3.953
  453    H2*    U  42           H2*        U  42  -7.679   9.004   3.711
  454   2HO*    U  42          2HO*        U  42  -6.732   9.842   5.957
  455    H1*    U  42           H1*        U  42  -8.897   7.355   5.573
  456    H3     U  42           H3         U  42  -9.686   5.804   1.300
  457    H5     U  42           H5         U  42 -12.909   8.306   2.226
  458    H6     U  42           H6         U  42 -11.704   9.026   4.169
  459   1H5*    U  43          H5*         U  43  -5.689   9.767   2.733
  460   2H5*    U  43          H5**        U  43  -5.578  10.549   4.314
  461    H4*    U  43           H4*        U  43  -4.239  12.371   3.065
  462    H3*    U  43           H3*        U  43  -4.061  10.115   1.059
  463    H2*    U  43           H2*        U  43  -1.720  10.684   0.790
  464   2HO*    U  43          2HO*        U  43  -2.461  13.053   1.591
  465    H1*    U  43           H1*        U  43  -1.201  10.556   3.478
  466    H3     U  43           H3         U  43  -0.316   6.489   1.287
  467    H5     U  43           H5         U  43  -3.890   6.055   3.423
  468    H6     U  43           H6         U  43  -3.904   8.425   3.756
  469   1H5*    G  44          H5*         G  44  -1.808  12.365  -0.603
  470   2H5*    G  44          H5**        G  44  -2.684  13.366  -1.746
  471    H4*    G  44           H4*        G  44  -1.295  12.999  -3.310
  472    H3*    G  44           H3*        G  44  -1.356   9.990  -2.963
  473    H2*    G  44           H2*        G  44   0.365  10.115  -4.700
  474   2HO*    G  44          2HO*        G  44  -0.839  12.243  -5.486
  475    H1*    G  44           H1*        G  44   1.593  12.254  -3.386
  476    H8     G  44           H8         G  44   0.404   9.281  -1.236
  477    H1     G  44           H1         G  44   6.410   8.934  -3.462
  478   1H2     G  44          H21         G  44   6.852  10.339  -4.664
  479   2H2     G  44          H22         G  44   5.961  11.646  -5.233
  480   1H5*    U  45          H5*         U  45  -1.822  11.869  -6.790
  481   2H5*    U  45          H5**        U  45  -2.663  10.928  -8.029
  482    H4*    U  45           H4*        U  45  -0.531  11.940  -8.798
  483    H3*    U  45           H3*        U  45  -0.909   8.945  -8.939
  484    H2*    U  45           H2*        U  45   1.232   8.835  -9.951
  485   2HO*    U  45          2HO*        U  45   0.560  11.147 -10.973
  486    H1*    U  45           H1*        U  45   2.465  10.740  -8.349
  487    H3     U  45           H3         U  45   4.689   7.126  -6.818
  488    H5     U  45           H5         U  45   0.696   6.284  -5.866
  489    H6     U  45           H6         U  45   0.066   8.302  -6.988
  490   1H5*    G  46          H5*         G  46  -0.380   9.540 -12.864
  491   2H5*    G  46          H5**        G  46  -1.247   8.295 -13.769
  492    H4*    G  46           H4*        G  46   1.295   8.155 -13.666
  493    H3*    G  46           H3*        G  46  -0.392   5.734 -13.035
  494    H2*    G  46           H2*        G  46   1.645   4.558 -12.794
  495   2HO*    G  46          2HO*        G  46   3.113   5.093 -14.297
  496    H1*    G  46           H1*        G  46   3.027   6.756 -11.558
  497    H8     G  46           H8         G  46  -0.262   6.134  -9.901
  498    H1     G  46           H1         G  46   4.568   2.298  -8.123
  499   1H2     G  46          H21         G  46   6.068   2.440  -9.236
  500   2H2     G  46          H22         G  46   6.366   3.385 -10.597
  501   1H5*    G  47          H5*         G  47   2.382   5.412 -16.457
  502   2H5*    G  47          H5**        G  47   1.721   4.321 -17.684
  503    H4*    G  47           H4*        G  47   4.054   3.820 -17.039
  504    H3*    G  47           H3*        G  47   2.004   1.636 -16.596
  505    H2*    G  47           H2*        G  47   3.855   0.251 -16.001
  506   2HO*    G  47          2HO*        G  47   5.182   1.542 -17.738
  507    H1*    G  47           H1*        G  47   5.130   2.225 -14.461
  508    H8     G  47           H8         G  47   1.357   2.068 -13.995
  509    H1     G  47           H1         G  47   4.768  -2.105 -10.491
  510   1H2     G  47          H22         G  47   6.819  -2.090 -11.056
  511   2H2     G  47          H21         G  47   7.379  -1.061 -12.359
  512   1H5*    C  48          H5*         C  48   4.990  -0.071 -19.223
  513   2H5*    C  48          H5**        C  48   4.159  -1.043 -20.452
  514    H4*    C  48           H4*        C  48   5.857  -2.330 -19.245
  515    H3*    C  48           H3*        C  48   3.007  -3.257 -19.034
  516    H2*    C  48           H2*        C  48   3.695  -4.978 -17.563
  517   2HO*    C  48          2HO*        C  48   5.534  -5.875 -18.358
  518    H1*    C  48           H1*        C  48   5.701  -3.502 -16.219
  519   1H4     C  48          H42         C  48   1.049  -3.289 -11.971
  520   2H4     C  48          H41         C  48   0.082  -2.211 -12.972
  521    H5     C  48           H5         C  48   0.758  -1.585 -15.195
  522    H6     C  48           H6         C  48   2.487  -1.841 -16.887
  523   1H5*    G  49          H5*         G  49   6.256  -5.639 -20.893
  524   2H5*    G  49          H5**        G  49   5.851  -7.076 -21.828
  525    H4*    G  49           H4*        G  49   7.488  -7.001 -19.679
  526    H3*    G  49           H3*        G  49   7.065  -9.014 -21.331
  527    H2*    G  49           H2*        G  49   4.775  -9.431 -20.482
  528   2HO*    G  49          2HO*        G  49   5.228 -11.339 -18.907
  529    H1*    G  49           H1*        G  49   6.082  -9.358 -17.689
  530    H8     G  49           H8         G  49   3.126  -7.216 -18.445
  531    H1     G  49           H1         G  49   1.526 -12.845 -15.793
  532   1H2     G  49          H21         G  49   3.231 -14.181 -15.797
  533   2H2     G  49          H22         G  49   4.788 -13.712 -16.456
  534    H3T    G  49           H3T        G  49   7.818 -10.376 -19.442
  Start of MODEL   15
    1   1H5*    G   1          H5*         G   1  -2.618 -36.291  -6.500
    2   2H5*    G   1          H5**        G   1  -0.933 -36.754  -6.667
    3    H4*    G   1           H4*        G   1  -0.740 -36.075  -8.717
    4    H3*    G   1           H3*        G   1  -1.523 -33.515  -8.037
    5    H2*    G   1           H2*        G   1  -3.738 -33.528  -8.677
    6   2HO*    G   1          2HO*        G   1  -2.306 -32.827 -10.696
    7    H1*    G   1           H1*        G   1  -3.554 -35.739 -10.715
    8    H8     G   1           H8         G   1  -4.773 -35.876  -7.099
    9    H1     G   1           H1         G   1  -9.383 -35.661 -11.513
   10   1H2     G   1          H21         G   1  -8.758 -35.420 -13.260
   11   2H2     G   1          H22         G   1  -7.239 -35.209 -13.935
   12    H5T    G   1           H5T        G   1  -0.573 -34.336  -6.506
   13   1H5*    G   2          H5*         G   2  -0.488 -32.157 -12.314
   14   2H5*    G   2          H5**        G   2   0.412 -30.705 -11.863
   15    H4*    G   2           H4*        G   2  -1.406 -30.026 -13.196
   16    H3*    G   2           H3*        G   2  -1.999 -29.316 -10.316
   17    H2*    G   2           H2*        G   2  -3.925 -28.217 -11.190
   18   2HO*    G   2          2HO*        G   2  -3.702 -27.284 -13.127
   19    H1*    G   2           H1*        G   2  -4.433 -30.258 -13.096
   20    H8     G   2           H8         G   2  -3.707 -31.126  -9.408
   21    H1     G   2           H1         G   2  -9.877 -30.657 -11.113
   22   1H2     G   2          H22         G   2 -10.026 -29.921 -13.176
   23   2H2     G   2          H21         G   2  -8.582 -29.567 -14.109
   24   1H5*    A   3          H5*         A   3  -1.695 -26.179 -13.432
   25   2H5*    A   3          H5**        A   3  -1.299 -24.595 -12.748
   26    H4*    A   3           H4*        A   3  -3.255 -24.576 -14.282
   27    H3*    A   3           H3*        A   3  -3.585 -23.608 -11.460
   28    H2*    A   3           H2*        A   3  -5.867 -23.233 -11.877
   29   2HO*    A   3          2HO*        A   3  -6.042 -22.171 -13.789
   30    H1*    A   3           H1*        A   3  -6.204 -25.367 -13.740
   31    H8     A   3           H8         A   3  -4.797 -26.143 -10.249
   32   1H6     A   3          H61         A   3 -10.747 -27.637  -9.020
   33   2H6     A   3          H62         A   3  -9.258 -27.678  -8.236
   34    H2     A   3           H2         A   3 -10.604 -25.834 -12.970
   35   1H5*    C   4          H5*         C   4  -4.817 -20.754 -14.451
   36   2H5*    C   4          H5**        C   4  -4.357 -19.110 -13.979
   37    H4*    C   4           H4*        C   4  -6.719 -19.265 -14.567
   38    H3*    C   4           H3*        C   4  -6.092 -18.520 -11.706
   39    H2*    C   4           H2*        C   4  -8.437 -18.163 -11.434
   40   2HO*    C   4          2HO*        C   4  -8.397 -17.584 -13.983
   41    H1*    C   4           H1*        C   4  -9.174 -20.511 -12.720
   42   1H4     C   4          H41         C   4  -9.164 -21.769  -6.651
   43   2H4     C   4          H42         C   4  -7.603 -22.443  -6.516
   44    H5     C   4           H5         C   4  -6.054 -22.109  -8.692
   45    H6     C   4           H6         C   4  -6.137 -21.281 -10.984
   46   1H5*    C   5          H5*         C   5  -8.488 -15.712 -13.281
   47   2H5*    C   5          H5**        C   5  -8.072 -14.020 -12.970
   48    H4*    C   5           H4*        C   5 -10.360 -14.596 -12.242
   49    H3*    C   5           H3*        C   5  -8.470 -13.209 -10.802
   50    H2*    C   5           H2*        C   5  -8.278 -14.484  -8.898
   51   2HO*    C   5          2HO*        C   5 -10.677 -13.179  -8.752
   52    H1*    C   5           H1*        C   5 -10.965 -15.839  -9.403
   53   1H4     C   5          H42         C   5  -8.123 -19.651  -5.072
   54   2H4     C   5          H41         C   5  -6.585 -19.339  -5.829
   55    H5     C   5           H5         C   5  -6.242 -17.888  -7.729
   56    H6     C   5           H6         C   5  -7.330 -16.484  -9.354
   57   1H5*    C   6          H5*         C   6  -9.509 -11.658  -7.470
   58   2H5*    C   6          H5**        C   6  -9.582  -9.949  -7.828
   59    H4*    C   6           H4*        C   6  -8.030 -10.664  -6.064
   60    H3*    C   6           H3*        C   6  -7.785  -8.356  -7.252
   61    H2*    C   6           H2*        C   6  -6.631  -9.468  -9.203
   62   2HO*    C   6          2HO*        C   6  -4.880  -8.108  -7.407
   63    H1*    C   6           H1*        C   6  -4.750 -10.585  -7.042
   64   1H4     C   6          H41         C   6  -2.232 -13.154 -12.322
   65   2H4     C   6          H42         C   6  -3.812 -13.732 -12.855
   66    H5     C   6           H5         C   6  -5.888 -13.214 -11.585
   67    H6     C   6           H6         C   6  -6.688 -11.973  -9.611
   68   1H5*    G   7          H5*         G   7  -3.750  -8.919  -5.323
   69   2H5*    G   7          H5**        G   7  -3.293  -7.499  -4.377
   70    H4*    G   7           H4*        G   7  -1.612  -8.451  -6.062
   71    H3*    G   7           H3*        G   7  -2.190  -5.494  -5.854
   72    H2*    G   7           H2*        G   7  -0.680  -5.183  -7.679
   73   2HO*    G   7          2HO*        G   7   0.595  -7.125  -6.522
   74    H1*    G   7           H1*        G   7  -1.378  -7.596  -9.064
   75    H8     G   7           H8         G   7  -4.645  -6.246  -8.539
   76    H1     G   7           H1         G   7  -1.487  -2.766 -12.909
   77   1H2     G   7          H22         G   7   0.608  -3.200 -12.868
   78   2H2     G   7          H21         G   7   1.301  -4.358 -11.740
   79   1H5*    C   8          H5*         C   8   2.148  -6.665  -5.557
   80   2H5*    C   8          H5**        C   8   2.930  -5.579  -4.399
   81    H4*    C   8           H4*        C   8   4.088  -5.803  -6.594
   82    H3*    C   8           H3*        C   8   3.432  -3.177  -5.367
   83    H2*    C   8           H2*        C   8   3.838  -1.983  -7.340
   84   2HO*    C   8          2HO*        C   8   5.872  -3.621  -7.420
   85    H1*    C   8           H1*        C   8   3.385  -4.106  -9.229
   86   1H4     C   8          H41         C   8  -1.053  -0.117 -10.873
   87   2H4     C   8          H42         C   8  -2.167  -0.417  -9.644
   88    H5     C   8           H5         C   8  -1.385  -2.193  -7.786
   89    H6     C   8           H6         C   8   0.530  -3.514  -7.090
   90   1H5*    C   9          H5*         C   9   7.462  -2.736  -6.833
   91   2H5*    C   9          H5**        C   9   8.391  -1.925  -5.573
   92    H4*    C   9           H4*        C   9   8.462  -0.757  -7.727
   93    H3*    C   9           H3*        C   9   7.336   0.753  -5.380
   94    H2*    C   9           H2*        C   9   7.127   2.605  -6.821
   95   2HO*    C   9          2HO*        C   9   8.978   2.771  -7.991
   96    H1*    C   9           H1*        C   9   6.409   1.093  -9.140
   97   1H4     C   9          H42         C   9   0.893   3.806  -7.183
   98   2H4     C   9          H41         C   9   0.835   2.594  -5.938
   99    H5     C   9           H5         C   9   2.507   1.010  -5.466
  100    H6     C   9           H6         C   9   4.702   0.165  -6.087
  101   1H5*    A  10          H5*         A  10  11.111   2.225  -7.000
  102   2H5*    A  10          H5**        A  10  12.140   3.123  -5.871
  103    H4*    A  10           H4*        A  10  11.645   4.376  -7.924
  104    H3*    A  10           H3*        A  10  10.898   5.548  -5.281
  105    H2*    A  10           H2*        A  10   9.660   7.237  -6.275
  106   2HO*    A  10          2HO*        A  10  11.157   8.146  -7.654
  107    H1*    A  10           H1*        A  10   9.072   5.885  -8.743
  108    H8     A  10           H8         A  10   7.593   4.323  -5.566
  109   1H6     A  10          H61         A  10   2.625   7.726  -7.175
  110   2H6     A  10          H62         A  10   2.971   6.572  -6.013
  111    H2     A  10           H2         A  10   5.862   8.909  -9.724
  112   1H5*    C  11          H5*         C  11  13.290   8.356  -7.576
  113   2H5*    C  11          H5**        C  11  14.479   9.234  -6.599
  114    H4*    C  11           H4*        C  11  12.924  10.697  -7.872
  115    H3*    C  11           H3*        C  11  13.257  11.011  -4.928
  116    H2*    C  11           H2*        C  11  11.349  12.364  -4.720
  117   2HO*    C  11          2HO*        C  11  12.362  13.495  -6.762
  118    H1*    C  11           H1*        C  11   9.905  11.454  -7.012
  119   1H4     C  11          H42         C  11   6.125   9.363  -2.312
  120   2H4     C  11          H41         C  11   7.277   8.099  -1.997
  121    H5     C  11           H5         C  11   9.376   7.871  -3.073
  122    H6     C  11           H6         C  11  10.892   8.841  -4.703
  123   1H5*    U  12          H5*         U  12  13.049  15.265  -6.317
  124   2H5*    U  12          H5**        U  12  14.505  15.958  -5.592
  125    H4*    U  12           H4*        U  12  12.352  17.148  -5.130
  126    H3*    U  12           H3*        U  12  14.265  16.444  -2.928
  127    H2*    U  12           H2*        U  12  12.718  17.348  -1.357
  128   2HO*    U  12          2HO*        U  12  12.148  19.015  -3.173
  129    H1*    U  12           H1*        U  12  10.402  16.320  -2.485
  130    H3     U  12           H3         U  12  11.543  14.268   1.575
  131    H5     U  12           H5         U  12  12.596  11.693  -1.579
  132    H6     U  12           H6         U  12  12.241  13.508  -3.071
  133   1H5*    G  13          H5*         G  13  13.097  20.364  -2.323
  134   2H5*    G  13          H5**        G  13  14.299  21.333  -1.487
  135    H4*    G  13           H4*        G  13  11.968  20.503  -0.445
  136    H3*    G  13           H3*        G  13  14.087  21.945   0.629
  137    H2*    G  13           H2*        G  13  14.985  20.365   2.035
  138   2HO*    G  13          2HO*        G  13  13.537  19.885   3.921
  139    H1*    G  13           H1*        G  13  12.456  18.712   2.269
  140    H8     G  13           H8         G  13  15.159  17.378   0.161
  141    H1     G  13           H1         G  13  16.003  16.115   6.395
  142   1H2     G  13          H21         G  13  14.782  17.175   7.520
  143   2H2     G  13          H22         G  13  13.568  18.262   7.029
  144   1H5*    C  14          H5*         C  14  10.683  23.348   3.759
  145   2H5*    C  14          H5**        C  14  11.172  25.040   3.916
  146    H4*    C  14           H4*        C  14  11.044  23.814   6.043
  147    H3*    C  14           H3*        C  14  13.779  24.924   5.433
  148    H2*    C  14           H2*        C  14  14.344  24.203   7.603
  149   2HO*    C  14          2HO*        C  14  12.877  24.259   9.152
  150    H1*    C  14           H1*        C  14  12.719  21.853   7.406
  151   1H4     C  14          H41         C  14  18.597  20.092   7.865
  152   2H4     C  14          H42         C  14  18.994  19.995   6.217
  153    H5     C  14           H5         C  14  17.144  21.036   4.544
  154    H6     C  14           H6         C  14  14.896  22.033   4.553
  155   1H5*    A  15          H5*         A  15  12.019  26.486   9.179
  156   2H5*    A  15          H5**        A  15  12.865  27.952   9.690
  157    H4*    A  15           H4*        A  15  12.831  26.071  11.341
  158    H3*    A  15           H3*        A  15  15.506  27.257  10.563
  159    H2*    A  15           H2*        A  15  16.415  25.823  12.258
  160   2HO*    A  15          2HO*        A  15  14.283  26.264  13.542
  161    H1*    A  15           H1*        A  15  14.758  23.630  11.618
  162    H8     A  15           H8         A  15  16.483  25.536   8.751
  163   1H6     A  15          H62         A  15  20.855  21.137   9.240
  164   2H6     A  15          H61         A  15  20.309  22.525   8.298
  165    H2     A  15           H2         A  15  17.955  20.578  12.548
  166   1H5*    G  16          H5*         G  16  15.496  27.491  14.751
  167   2H5*    G  16          H5**        G  16  16.168  29.070  15.172
  168    H4*    G  16           H4*        G  16  17.448  27.411  16.257
  169    H3*    G  16           H3*        G  16  19.026  28.571  13.958
  170    H2*    G  16           H2*        G  16  20.897  27.454  14.979
  171   2HO*    G  16          2HO*        G  16  20.596  26.171  16.902
  172    H1*    G  16           H1*        G  16  19.412  25.050  15.135
  173    H8     G  16           H8         G  16  18.754  27.413  12.183
  174    H1     G  16           H1         G  16  22.883  22.664  10.980
  175   1H2     G  16          H22         G  16  23.316  21.562  12.754
  176   2H2     G  16          H21         G  16  22.591  21.969  14.294
  177   1H5*    A  17          H5*         A  17  21.596  32.266  14.382
  178   2H5*    A  17          H5**        A  17  22.269  31.116  13.216
  179    H4*    A  17           H4*        A  17  23.825  31.823  14.992
  180    H3*    A  17           H3*        A  17  23.354  28.871  14.651
  181    H2*    A  17           H2*        A  17  24.756  28.522  16.482
  182   2HO*    A  17          2HO*        A  17  26.380  30.049  15.519
  183    H1*    A  17           H1*        A  17  24.221  31.017  17.750
  184    H8     A  17           H8         A  17  21.221  28.733  17.480
  185   1H6     A  17          H62         A  17  23.008  26.632  23.068
  186   2H6     A  17          H61         A  17  21.704  26.575  21.885
  187    H2     A  17           H2         A  17  26.202  29.226  21.501
  188   1H5*    G  18          H5*         G  18  27.259  26.175  13.761
  189   2H5*    G  18          H5**        G  18  25.523  26.040  14.084
  190    H4*    G  18           H4*        G  18  27.718  26.370  16.127
  191    H3*    G  18           H3*        G  18  25.869  24.065  15.468
  192    H2*    G  18           H2*        G  18  25.888  23.521  17.807
  193   2HO*    G  18          2HO*        G  18  28.322  24.469  17.711
  194    H1*    G  18           H1*        G  18  25.737  26.187  18.683
  195    H8     G  18           H8         G  18  23.292  25.899  15.874
  196    H1     G  18           H1         G  18  21.202  23.373  21.386
  197   1H2     G  18          H21         G  18  22.867  23.199  22.817
  198   2H2     G  18          H22         G  18  24.490  23.710  22.385
  199   1H5*    A  19          H5*         A  19  28.179  21.934  17.931
  200   2H5*    A  19          H5**        A  19  28.635  20.439  17.097
  201    H4*    A  19           H4*        A  19  27.483  19.841  19.071
  202    H3*    A  19           H3*        A  19  25.810  19.348  16.603
  203    H2*    A  19           H2*        A  19  24.165  18.424  18.059
  204   2HO*    A  19          2HO*        A  19  26.132  17.680  19.536
  205    H1*    A  19           H1*        A  19  24.226  20.470  19.897
  206    H8     A  19           H8         A  19  24.864  21.907  16.556
  207   1H6     A  19          H62         A  19  18.773  21.759  15.501
  208   2H6     A  19          H61         A  19  20.311  22.371  14.906
  209    H2     A  19           H2         A  19  19.589  19.444  19.218
  210   1H5*    U  20          H5*         U  20  24.776  16.243  17.768
  211   2H5*    U  20          H5**        U  20  24.749  15.024  16.496
  212    H4*    U  20           H4*        U  20  22.547  16.028  17.392
  213    H3*    U  20           H3*        U  20  23.039  15.501  14.455
  214    H2*    U  20           H2*        U  20  20.734  16.141  14.175
  215   2HO*    U  20          2HO*        U  20  20.438  15.192  16.578
  216    H1*    U  20           H1*        U  20  20.888  18.314  15.924
  217    H3     U  20           H3         U  20  20.185  19.775  11.604
  218    H5     U  20           H5         U  20  24.335  19.553  12.079
  219    H6     U  20           H6         U  20  23.964  18.423  14.187
  220   1H5*    G  21          H5*         G  21  19.602  13.425  16.104
  221   2H5*    G  21          H5**        G  21  18.998  12.157  15.047
  222    H4*    G  21           H4*        G  21  17.696  14.410  15.647
  223    H3*    G  21           H3*        G  21  17.101  12.321  13.904
  224    H2*    G  21           H2*        G  21  17.402  13.481  11.889
  225   2HO*    G  21          2HO*        G  21  14.944  13.953  12.876
  226    H1*    G  21           H1*        G  21  16.895  16.174  13.228
  227    H8     G  21           H8         G  21  20.102  14.827  11.671
  228    H1     G  21           H1         G  21  16.919  19.132   8.114
  229   1H2     G  21          H22         G  21  15.015  19.619   9.035
  230   2H2     G  21          H21         G  21  14.521  18.821  10.510
  231   1H5*    C  22          H5*         C  22  12.967  14.616  14.580
  232   2H5*    C  22          H5**        C  22  11.802  13.288  14.597
  233    H4*    C  22           H4*        C  22  11.143  15.047  13.067
  234    H3*    C  22           H3*        C  22  11.700  12.400  11.752
  235    H2*    C  22           H2*        C  22  11.070  13.437   9.703
  236   2HO*    C  22          2HO*        C  22   9.329  14.719   9.917
  237    H1*    C  22           H1*        C  22  12.123  16.001  10.389
  238   1H4     C  22          H42         C  22  16.489  14.214   6.132
  239   2H4     C  22          H41         C  22  16.883  12.796   7.078
  240    H5     C  22           H5         C  22  15.759  12.181   9.098
  241    H6     C  22           H6         C  22  14.014  12.805  10.667
  242   1H5*    A  23          H5*         A  23   7.768  14.275  11.607
  243   2H5*    A  23          H5**        A  23   6.421  13.150  11.440
  244    H4*    A  23           H4*        A  23   6.387  15.142   9.966
  245    H3*    A  23           H3*        A  23   5.228  12.799   9.399
  246    H2*    A  23           H2*        A  23   7.203  11.948   8.181
  247   2HO*    A  23          2HO*        A  23   5.361  13.293   6.464
  248    H1*    A  23           H1*        A  23   7.292  14.789   6.964
  249    H8     A  23           H8         A  23   9.818  12.156   8.287
  250   1H6     A  23          H62         A  23  12.740  13.009   2.878
  251   2H6     A  23          H61         A  23  12.795  12.188   4.434
  252    H2     A  23           H2         A  23   9.062  15.492   2.845
  253   1H5*    A  24          H5*         A  24   3.766  11.701   6.313
  254   2H5*    A  24          H5**        A  24   2.261  12.633   6.241
  255    H4*    A  24           H4*        A  24   1.501  10.860   8.025
  256    H3*    A  24           H3*        A  24   3.445   9.194   6.402
  257    H2*    A  24           H2*        A  24   1.875   7.426   6.867
  258   2HO*    A  24          2HO*        A  24   1.316   7.997   9.023
  259    H1*    A  24           H1*        A  24  -0.332   9.112   6.384
  260    H8     A  24           H8         A  24   1.324  10.013   3.404
  261   1H6     A  24          H61         A  24   0.437   4.287   1.113
  262   2H6     A  24          H62         A  24   0.864   5.938   0.651
  263    H2     A  24           H2         A  24  -0.248   4.118   5.440
  264   1H5*    U  25          H5*         U  25   2.487   7.809  11.108
  265   2H5*    U  25          H5**        U  25   3.308   6.252  11.169
  266    H4*    U  25           H4*        U  25   1.233   5.896  12.014
  267    H3*    U  25           H3*        U  25   0.971   4.778   9.227
  268    H2*    U  25           H2*        U  25  -1.083   3.900  10.105
  269   2HO*    U  25          2HO*        U  25  -1.045   3.354  12.195
  270    H1*    U  25           H1*        U  25  -1.577   6.300  11.550
  271    H3     U  25           H3         U  25  -5.188   6.151   8.895
  272    H5     U  25           H5         U  25  -2.092   6.876   6.191
  273    H6     U  25           H6         U  25  -0.528   6.574   8.000
  274   1H5*    C  26          H5*         C  26   0.833   1.625  12.664
  275   2H5*    C  26          H5**        C  26   0.802   0.017  11.924
  276    H4*    C  26           H4*        C  26  -1.094   0.617  13.516
  277    H3*    C  26           H3*        C  26  -1.722  -0.510  10.782
  278    H2*    C  26           H2*        C  26  -4.029  -0.366  11.430
  279   2HO*    C  26          2HO*        C  26  -3.211  -1.056  13.720
  280    H1*    C  26           H1*        C  26  -3.736   2.040  12.911
  281   1H4     C  26          H41         C  26  -6.699   4.106   7.898
  282   2H4     C  26          H42         C  26  -5.569   3.718   6.694
  283    H5     C  26           H5         C  26  -3.349   2.586   7.522
  284    H6     C  26           H6         C  26  -2.274   1.668   9.510
  285   1H5*    C  27          H5*         C  27  -3.725  -2.673  14.287
  286   2H5*    C  27          H5**        C  27  -3.830  -4.355  13.768
  287    H4*    C  27           H4*        C  27  -5.933  -3.148  14.652
  288    H3*    C  27           H3*        C  27  -5.928  -5.008  12.279
  289    H2*    C  27           H2*        C  27  -8.296  -4.705  12.232
  290   2HO*    C  27          2HO*        C  27  -8.213  -4.539  14.738
  291    H1*    C  27           H1*        C  27  -8.201  -1.913  12.585
  292   1H4     C  27          H41         C  27  -8.692  -3.099   6.415
  293   2H4     C  27          H42         C  27  -7.058  -2.973   6.061
  294    H5     C  27           H5         C  27  -5.407  -2.864   8.145
  295    H6     C  27           H6         C  27  -5.377  -2.704  10.577
  296   1H5*    A  28          H5*         A  28  -8.843  -7.269  14.208
  297   2H5*    A  28          H5**        A  28  -8.070  -8.860  14.326
  298    H4*    A  28           H4*        A  28 -10.059  -9.205  13.162
  299    H3*    A  28           H3*        A  28  -7.806  -9.147  11.148
  300    H2*    A  28           H2*        A  28  -9.459  -9.866   9.590
  301   2HO*    A  28          2HO*        A  28 -10.868 -11.256  10.514
  302    H1*    A  28           H1*        A  28 -11.411  -8.065  10.579
  303    H8     A  28           H8         A  28  -7.647  -7.404   9.799
  304   1H6     A  28          H62         A  28  -9.845  -4.614   4.704
  305   2H6     A  28          H61         A  28  -8.392  -5.008   5.615
  306    H2     A  28           H2         A  28 -13.294  -6.243   6.971
  307   1H5*    G  29          H5*         G  29  -9.701 -13.246  11.951
  308   2H5*    G  29          H5**        G  29  -8.985 -14.534  10.984
  309    H4*    G  29           H4*        G  29 -11.545 -13.686  10.828
  310    H3*    G  29           H3*        G  29 -10.466 -15.783   9.617
  311    H2*    G  29           H2*        G  29  -9.244 -14.244   8.065
  312   2HO*    G  29          2HO*        G  29 -11.398 -15.742   7.045
  313    H1*    G  29           H1*        G  29 -12.087 -13.101   7.709
  314    H8     G  29           H8         G  29  -8.340 -12.120   7.504
  315    H1     G  29           H1         G  29 -12.185  -9.662   2.999
  316   1H2     G  29          H22         G  29 -14.216 -10.351   3.303
  317   2H2     G  29          H21         G  29 -14.630 -11.440   4.628
  318   1H5*    U  30          H5*         U  30 -13.321 -15.354   6.170
  319   2H5*    U  30          H5**        U  30 -14.482 -16.621   6.592
  320    H4*    U  30           H4*        U  30 -13.874 -16.704   4.256
  321    H3*    U  30           H3*        U  30 -13.015 -19.131   5.848
  322    H2*    U  30           H2*        U  30 -12.451 -20.053   3.708
  323   2HO*    U  30          2HO*        U  30 -14.178 -19.232   2.487
  324    H1*    U  30           H1*        U  30 -11.329 -17.609   2.744
  325    H3     U  30           H3         U  30  -8.331 -21.300   3.561
  326    H5     U  30           H5         U  30  -7.601 -18.148   6.214
  327    H6     U  30           H6         U  30  -9.706 -17.167   5.478
  328   1H5*    G  31          H5*         G  31 -16.215 -18.617   2.473
  329   2H5*    G  31          H5**        G  31 -17.157 -20.103   2.297
  330    H4*    G  31           H4*        G  31 -16.784 -19.451   0.154
  331    H3*    G  31           H3*        G  31 -14.712 -21.565   0.689
  332    H2*    G  31           H2*        G  31 -14.142 -21.344  -1.586
  333   2HO*    G  31          2HO*        G  31 -16.051 -21.237  -2.708
  334    H1*    G  31           H1*        G  31 -14.634 -18.527  -1.649
  335    H8     G  31           H8         G  31 -12.036 -19.722   0.977
  336    H1     G  31           H1         G  31  -9.866 -18.821  -4.997
  337   1H2     G  31          H21         G  31 -11.200 -18.507  -6.253
  338   2H2     G  31          H22         G  31 -12.867 -18.361  -6.107
  339   1H5*    G  32          H5*         G  32 -17.890 -22.063  -2.184
  340   2H5*    G  32          H5**        G  32 -18.423 -23.723  -2.470
  341    H4*    G  32           H4*        G  32 -18.018 -22.352  -4.529
  342    H3*    G  32           H3*        G  32 -16.597 -24.981  -4.180
  343    H2*    G  32           H2*        G  32 -15.673 -24.654  -6.310
  344   2HO*    G  32          2HO*        G  32 -17.119 -23.893  -7.745
  345    H1*    G  32           H1*        G  32 -15.385 -21.834  -6.060
  346    H8     G  32           H8         G  32 -13.990 -24.070  -3.291
  347    H1     G  32           H1         G  32  -9.963 -22.789  -8.095
  348   1H2     G  32          H21         G  32 -10.785 -21.889  -9.541
  349   2H2     G  32          H22         G  32 -12.349 -21.313  -9.792
  350   1H5*    U  33          H5*         U  33 -19.314 -24.640  -7.758
  351   2H5*    U  33          H5**        U  33 -19.858 -26.259  -8.231
  352    H4*    U  33           H4*        U  33 -18.881 -24.995 -10.095
  353    H3*    U  33           H3*        U  33 -17.478 -27.565  -9.335
  354    H2*    U  33           H2*        U  33 -16.023 -27.160 -11.180
  355   2HO*    U  33          2HO*        U  33 -18.019 -26.180 -12.372
  356    H1*    U  33           H1*        U  33 -15.723 -24.413 -10.690
  357    H3     U  33           H3         U  33 -11.639 -26.129  -9.787
  358    H5     U  33           H5         U  33 -13.957 -27.131  -6.413
  359    H6     U  33           H6         U  33 -15.881 -26.339  -7.617
  360   1H5*    C  34          H5*         C  34 -18.412 -28.184 -13.398
  361   2H5*    C  34          H5**        C  34 -18.723 -29.904 -13.680
  362    H4*    C  34           H4*        C  34 -16.754 -28.940 -14.887
  363    H3*    C  34           H3*        C  34 -16.280 -31.348 -13.116
  364    H2*    C  34           H2*        C  34 -14.029 -31.282 -13.967
  365   2HO*    C  34          2HO*        C  34 -15.170 -30.395 -16.122
  366    H1*    C  34           H1*        C  34 -13.880 -28.442 -13.931
  367   1H4     C  34          H42         C  34 -10.435 -30.394  -8.982
  368   2H4     C  34          H41         C  34 -11.827 -30.217  -7.927
  369    H5     C  34           H5         C  34 -14.047 -29.725  -8.786
  370    H6     C  34           H6         C  34 -15.343 -29.301 -10.814
  371   1H5*    C  35          H5*         C  35 -15.163 -31.886 -17.314
  372   2H5*    C  35          H5**        C  35 -15.108 -33.574 -17.793
  373    H4*    C  35           H4*        C  35 -13.024 -31.860 -17.823
  374    H3*    C  35           H3*        C  35 -13.181 -34.322 -18.816
  375    H2*    C  35           H2*        C  35 -12.971 -35.413 -16.616
  376   2HO*    C  35          2HO*        C  35 -10.352 -35.659 -16.645
  377    H1*    C  35           H1*        C  35 -10.648 -33.448 -16.160
  378   1H4     C  35          H41         C  35 -10.295 -36.875 -10.965
  379   2H4     C  35          H42         C  35 -11.738 -36.381 -10.220
  380    H5     C  35           H5         C  35 -13.377 -34.905 -11.756
  381    H6     C  35           H6         C  35 -13.492 -33.816 -13.946
  382    H3T    C  35           H3T        C  35 -10.856 -34.186 -18.989
  383   1H5*    A  36          H5*         A  36 -12.565 -14.795  -7.722
  384   2H5*    A  36          H5**        A  36 -14.134 -15.577  -7.686
  385    H4*    A  36           H4*        A  36 -14.421 -15.292  -5.531
  386    H3*    A  36           H3*        A  36 -13.251 -12.498  -5.619
  387    H2*    A  36           H2*        A  36 -13.093 -12.701  -3.264
  388   2HO*    A  36          2HO*        A  36 -15.232 -13.928  -3.234
  389    H1*    A  36           H1*        A  36 -12.203 -15.395  -3.361
  390    H8     A  36           H8         A  36 -10.230 -13.675  -5.941
  391   1H6     A  36          H61         A  36  -6.667 -11.384  -1.397
  392   2H6     A  36          H62         A  36  -6.771 -11.585  -3.142
  393    H2     A  36           H2         A  36 -10.262 -13.127   0.454
  394    H5T    A  36           H5T        A  36 -14.509 -12.947  -7.345
  395   1H5*    C  37          H5*         C  37 -17.568 -11.458  -3.556
  396   2H5*    C  37          H5**        C  37 -17.753  -9.863  -4.304
  397    H4*    C  37           H4*        C  37 -18.014  -9.677  -1.927
  398    H3*    C  37           H3*        C  37 -15.389  -8.451  -2.812
  399    H2*    C  37           H2*        C  37 -15.252  -7.661  -0.573
  400   2HO*    C  37          2HO*        C  37 -17.107  -7.206   0.437
  401    H1*    C  37           H1*        C  37 -16.152 -10.113   0.498
  402   1H4     C  37          H42         C  37  -9.994  -9.875   1.413
  403   2H4     C  37          H41         C  37  -9.595 -10.375  -0.230
  404    H5     C  37           H5         C  37 -11.378 -10.645  -1.931
  405    H6     C  37           H6         C  37 -13.800 -10.502  -2.292
  406   1H5*    U  38          H5*         U  38 -18.368  -5.872  -0.819
  407   2H5*    U  38          H5**        U  38 -18.131  -4.190  -1.284
  408    H4*    U  38           H4*        U  38 -18.431  -4.504   1.107
  409    H3*    U  38           H3*        U  38 -15.758  -3.296   0.369
  410    H2*    U  38           H2*        U  38 -15.658  -2.802   2.727
  411   2HO*    U  38          2HO*        U  38 -18.152  -2.543   2.735
  412    H1*    U  38           H1*        U  38 -16.510  -5.365   3.419
  413    H3     U  38           H3         U  38 -12.159  -4.932   4.712
  414    H5     U  38           H5         U  38 -11.960  -5.790   0.619
  415    H6     U  38           H6         U  38 -14.352  -5.536   0.516
  416   1H5*    G  39          H5*         G  39 -18.106  -0.738   2.768
  417   2H5*    G  39          H5**        G  39 -17.763   0.967   2.468
  418    H4*    G  39           H4*        G  39 -17.519   0.197   4.848
  419    H3*    G  39           H3*        G  39 -15.235   1.607   3.492
  420    H2*    G  39           H2*        G  39 -14.107   1.533   5.550
  421   2HO*    G  39          2HO*        G  39 -15.356   1.908   7.270
  422    H1*    G  39           H1*        G  39 -15.061  -1.069   6.265
  423    H8     G  39           H8         G  39 -13.613  -0.664   2.802
  424    H1     G  39           H1         G  39  -9.350  -1.737   7.458
  425   1H2     G  39          H21         G  39 -10.055  -1.696   9.135
  426   2H2     G  39          H22         G  39 -11.602  -1.431   9.734
  427   1H5*    G  40          H5*         G  40 -16.885   3.378   6.969
  428   2H5*    G  40          H5**        G  40 -17.047   5.135   6.841
  429    H4*    G  40           H4*        G  40 -16.067   4.527   8.966
  430    H3*    G  40           H3*        G  40 -14.234   6.023   7.061
  431    H2*    G  40           H2*        G  40 -12.679   6.068   8.887
  432   2HO*    G  40          2HO*        G  40 -14.832   6.154  10.355
  433    H1*    G  40           H1*        G  40 -13.201   3.405   9.704
  434    H8     G  40           H8         G  40 -12.859   3.842   5.923
  435    H1     G  40           H1         G  40  -7.364   2.650   9.025
  436   1H2     G  40          H22         G  40  -7.632   2.762  11.172
  437   2H2     G  40          H21         G  40  -9.218   3.106  11.844
  438   1H5*    C  41          H5*         C  41 -13.486   8.586   9.807
  439   2H5*    C  41          H5**        C  41 -14.690   9.864   9.613
  440    H4*    C  41           H4*        C  41 -13.230  11.412   9.197
  441    H3*    C  41           H3*        C  41 -12.388  10.329   6.932
  442    H2*    C  41           H2*        C  41 -11.176   8.503   8.110
  443   2HO*    C  41          2HO*        C  41  -9.586  10.678   7.224
  444    H1*    C  41           H1*        C  41  -9.905  10.801   9.690
  445   1H4     C  41          H42         C  41  -7.298   6.347  13.321
  446   2H4     C  41          H41         C  41  -8.798   5.432  13.403
  447    H5     C  41           H5         C  41 -10.775   6.087  12.201
  448    H6     C  41           H6         C  41 -11.716   7.749  10.679
  449   1H5*    U  42          H5*         U  42 -11.377  13.911   4.421
  450   2H5*    U  42          H5**        U  42 -12.125  12.605   3.506
  451    H4*    U  42           H4*        U  42  -9.726  12.315   5.305
  452    H3*    U  42           H3*        U  42  -9.959  12.496   2.298
  453    H2*    U  42           H2*        U  42  -8.071  11.047   2.191
  454   2HO*    U  42          2HO*        U  42  -8.034  10.729   5.024
  455    H1*    U  42           H1*        U  42  -9.184   9.198   3.927
  456    H3     U  42           H3         U  42  -9.464   7.956  -0.544
  457    H5     U  42           H5         U  42 -13.092   9.802   0.418
  458    H6     U  42           H6         U  42 -12.103  10.518   2.490
  459   1H5*    U  43          H5*         U  43  -6.130  11.974   1.612
  460   2H5*    U  43          H5**        U  43  -6.340  12.981   3.049
  461    H4*    U  43           H4*        U  43  -5.063  14.764   1.626
  462    H3*    U  43           H3*        U  43  -4.262  12.183   0.277
  463    H2*    U  43           H2*        U  43  -1.982  13.045   0.205
  464   2HO*    U  43          2HO*        U  43  -3.020  15.377   0.258
  465    H1*    U  43           H1*        U  43  -1.945  13.423   2.917
  466    H3     U  43           H3         U  43  -0.497   9.115   1.723
  467    H5     U  43           H5         U  43  -4.409   8.768   3.134
  468    H6     U  43           H6         U  43  -4.586  11.150   3.066
  469   1H5*    G  44          H5*         G  44  -2.224  15.570  -1.705
  470   2H5*    G  44          H5**        G  44  -3.246  15.582  -3.157
  471    H4*    G  44           H4*        G  44  -1.080  16.068  -3.890
  472    H3*    G  44           H3*        G  44  -1.770  13.193  -4.500
  473    H2*    G  44           H2*        G  44   0.311  13.028  -5.574
  474   2HO*    G  44          2HO*        G  44   0.731  14.812  -6.771
  475    H1*    G  44           H1*        G  44   1.646  14.730  -3.697
  476    H8     G  44           H8         G  44  -0.308  11.977  -2.043
  477    H1     G  44           H1         G  44   5.608  10.367  -3.908
  478   1H2     G  44          H21         G  44   6.426  11.665  -5.009
  479   2H2     G  44          H22         G  44   5.900  13.151  -5.586
  480   1H5*    U  45          H5*         U  45  -1.055  15.795  -7.700
  481   2H5*    U  45          H5**        U  45  -2.031  15.600  -9.168
  482    H4*    U  45           H4*        U  45   0.257  15.668  -9.817
  483    H3*    U  45           H3*        U  45  -0.982  12.919 -10.026
  484    H2*    U  45           H2*        U  45   1.063  12.137 -10.883
  485   2HO*    U  45          2HO*        U  45   1.271  14.431 -12.003
  486    H1*    U  45           H1*        U  45   2.704  13.537  -9.139
  487    H3     U  45           H3         U  45   3.432   9.454  -7.418
  488    H5     U  45           H5         U  45  -0.698  10.004  -6.868
  489    H6     U  45           H6         U  45  -0.508  12.076  -8.043
  490   1H5*    G  46          H5*         G  46   0.286  12.900 -13.482
  491   2H5*    G  46          H5**        G  46  -0.868  12.190 -14.610
  492    H4*    G  46           H4*        G  46   1.128  10.849 -14.336
  493    H3*    G  46           H3*        G  46  -1.396   9.455 -13.466
  494    H2*    G  46           H2*        G  46  -0.007   7.526 -13.277
  495   2HO*    G  46          2HO*        G  46   1.530   7.369 -14.783
  496    H1*    G  46           H1*        G  46   2.185   9.021 -12.192
  497    H8     G  46           H8         G  46  -1.127   9.734 -10.537
  498    H1     G  46           H1         G  46   2.142   4.685  -8.304
  499   1H2     G  46          H21         G  46   3.599   4.210  -9.369
  500   2H2     G  46          H22         G  46   4.230   4.867 -10.786
  501   1H5*    G  47          H5*         G  47   0.655   8.070 -16.960
  502   2H5*    G  47          H5**        G  47  -0.281   7.126 -18.124
  503    H4*    G  47           H4*        G  47   1.790   6.026 -17.356
  504    H3*    G  47           H3*        G  47  -0.792   4.543 -16.816
  505    H2*    G  47           H2*        G  47   0.645   2.735 -16.142
  506   2HO*    G  47          2HO*        G  47   2.291   3.657 -17.893
  507    H1*    G  47           H1*        G  47   2.341   4.389 -14.651
  508    H8     G  47           H8         G  47  -1.324   5.329 -14.305
  509    H1     G  47           H1         G  47   0.678   0.579 -10.457
  510   1H2     G  47          H22         G  47   2.625  -0.082 -10.994
  511   2H2     G  47          H21         G  47   3.491   0.690 -12.308
  512   1H5*    C  48          H5*         C  48   1.910   2.308 -19.225
  513   2H5*    C  48          H5**        C  48   1.086   1.367 -20.479
  514    H4*    C  48           H4*        C  48   2.610   0.010 -19.116
  515    H3*    C  48           H3*        C  48  -0.314  -0.727 -19.068
  516    H2*    C  48           H2*        C  48   0.308  -2.584 -17.678
  517   2HO*    C  48          2HO*        C  48   2.269  -3.360 -18.323
  518    H1*    C  48           H1*        C  48   2.038  -1.106 -16.052
  519   1H4     C  48          H42         C  48  -3.403  -0.953 -12.823
  520   2H4     C  48          H41         C  48  -3.968   0.432 -13.755
  521    H5     C  48           H5         C  48  -2.731   1.291 -15.649
  522    H6     C  48           H6         C  48  -0.745   0.986 -17.001
  523   1H5*    G  49          H5*         G  49   3.020  -3.043 -20.918
  524   2H5*    G  49          H5**        G  49   2.690  -4.508 -21.841
  525    H4*    G  49           H4*        G  49   4.342  -4.329 -19.710
  526    H3*    G  49           H3*        G  49   4.026  -6.366 -21.349
  527    H2*    G  49           H2*        G  49   1.741  -6.863 -20.484
  528   2HO*    G  49          2HO*        G  49   2.350  -8.750 -18.872
  529    H1*    G  49           H1*        G  49   3.135  -6.771 -17.743
  530    H8     G  49           H8         G  49  -0.020  -4.835 -18.340
  531    H1     G  49           H1         G  49  -0.974 -10.603 -15.660
  532   1H2     G  49          H21         G  49   0.889 -11.781 -15.780
  533   2H2     G  49          H22         G  49   2.339 -11.128 -16.518
  534    H3T    G  49           H3T        G  49   4.902  -7.703 -19.562
  Start of MODEL   16
    1   1H5*    G   1          H5*         G   1  -3.643 -38.458  -5.803
    2   2H5*    G   1          H5**        G   1  -2.320 -37.320  -5.544
    3    H4*    G   1           H4*        G   1  -2.368 -37.677  -7.791
    4    H3*    G   1           H3*        G   1  -2.727 -35.081  -6.960
    5    H2*    G   1           H2*        G   1  -4.849 -34.627  -7.761
    6   2HO*    G   1          2HO*        G   1  -3.173 -34.058  -9.614
    7    H1*    G   1           H1*        G   1  -4.857 -36.734  -9.922
    8    H8     G   1           H8         G   1  -6.520 -36.674  -6.475
    9    H1     G   1           H1         G   1 -10.461 -35.734 -11.414
   10   1H2     G   1          H21         G   1  -9.603 -35.624 -13.070
   11   2H2     G   1          H22         G   1  -8.003 -35.662 -13.562
   12    H5T    G   1           H5T        G   1  -4.165 -36.759  -4.325
   13   1H5*    G   2          H5*         G   2  -1.171 -33.674 -11.072
   14   2H5*    G   2          H5**        G   2  -0.045 -32.450 -10.469
   15    H4*    G   2           H4*        G   2  -1.602 -31.365 -11.866
   16    H3*    G   2           H3*        G   2  -2.207 -30.697  -8.971
   17    H2*    G   2           H2*        G   2  -3.860 -29.206  -9.868
   18   2HO*    G   2          2HO*        G   2  -2.259 -28.721 -11.727
   19    H1*    G   2           H1*        G   2  -4.629 -30.992 -11.927
   20    H8     G   2           H8         G   2  -4.302 -32.109  -8.221
   21    H1     G   2           H1         G   2 -10.194 -30.790 -10.397
   22   1H2     G   2          H22         G   2 -10.067 -30.015 -12.448
   23   2H2     G   2          H21         G   2  -8.512 -29.825 -13.241
   24   1H5*    A   3          H5*         A   3  -1.199 -27.110 -11.652
   25   2H5*    A   3          H5**        A   3  -0.613 -25.842 -10.570
   26    H4*    A   3           H4*        A   3  -2.424 -25.171 -12.150
   27    H3*    A   3           H3*        A   3  -2.718 -24.638  -9.216
   28    H2*    A   3           H2*        A   3  -4.857 -23.746  -9.621
   29   2HO*    A   3          2HO*        A   3  -4.870 -22.404 -11.318
   30    H1*    A   3           H1*        A   3  -5.409 -25.360 -11.899
   31    H8     A   3           H8         A   3  -4.755 -26.792  -8.348
   32   1H6     A   3          H61         A   3 -10.963 -27.599  -8.485
   33   2H6     A   3          H62         A   3  -9.685 -27.892  -7.430
   34    H2     A   3           H2         A   3  -9.795 -25.509 -12.111
   35   1H5*    C   4          H5*         C   4  -3.262 -21.311 -12.210
   36   2H5*    C   4          H5**        C   4  -2.749 -19.789 -11.476
   37    H4*    C   4           H4*        C   4  -5.029 -19.813 -12.585
   38    H3*    C   4           H3*        C   4  -4.486 -18.722  -9.863
   39    H2*    C   4           H2*        C   4  -6.741 -18.349  -9.480
   40   2HO*    C   4          2HO*        C   4  -7.441 -17.216 -11.237
   41    H1*    C   4           H1*        C   4  -7.789 -20.462 -11.099
   42   1H4     C   4          H41         C   4  -9.314 -21.802  -5.236
   43   2H4     C   4          H42         C   4  -7.938 -22.647  -4.743
   44    H5     C   4           H5         C   4  -5.860 -22.497  -6.554
   45    H6     C   4           H6         C   4  -5.332 -21.645  -8.757
   46   1H5*    C   5          H5*         C   5  -6.291 -15.952 -12.563
   47   2H5*    C   5          H5**        C   5  -5.622 -14.309 -12.556
   48    H4*    C   5           H4*        C   5  -8.076 -14.300 -12.230
   49    H3*    C   5           H3*        C   5  -6.210 -13.062 -10.676
   50    H2*    C   5           H2*        C   5  -6.611 -13.868  -8.580
   51   2HO*    C   5          2HO*        C   5  -8.665 -12.182  -9.152
   52    H1*    C   5           H1*        C   5  -9.390 -14.904  -9.362
   53   1H4     C   5          H42         C   5  -7.869 -18.448  -4.178
   54   2H4     C   5          H41         C   5  -6.199 -18.377  -4.677
   55    H5     C   5           H5         C   5  -5.361 -17.236  -6.598
   56    H6     C   5           H6         C   5  -5.937 -15.940  -8.525
   57   1H5*    C   6          H5*         C   6  -7.573 -10.690  -7.819
   58   2H5*    C   6          H5**        C   6  -6.910  -9.142  -8.287
   59    H4*    C   6           H4*        C   6  -6.143 -10.345  -6.118
   60    H3*    C   6           H3*        C   6  -5.134  -8.096  -6.989
   61    H2*    C   6           H2*        C   6  -4.151  -9.473  -8.929
   62   2HO*    C   6          2HO*        C   6  -1.697  -9.350  -7.947
   63    H1*    C   6           H1*        C   6  -2.773 -10.921  -6.602
   64   1H4     C   6          H41         C   6  -0.015 -13.649 -11.720
   65   2H4     C   6          H42         C   6  -1.599 -14.198 -12.272
   66    H5     C   6           H5         C   6  -3.695 -13.553 -11.133
   67    H6     C   6           H6         C   6  -4.525 -12.196  -9.235
   68   1H5*    G   7          H5*         G   7  -1.288  -9.307  -5.043
   69   2H5*    G   7          H5**        G   7  -0.812  -8.072  -3.875
   70    H4*    G   7           H4*        G   7   0.942  -8.566  -5.478
   71    H3*    G   7           H3*        G   7  -0.032  -5.742  -5.326
   72    H2*    G   7           H2*        G   7   1.358  -5.162  -7.183
   73   2HO*    G   7          2HO*        G   7   2.901  -7.049  -6.144
   74    H1*    G   7           H1*        G   7   1.022  -7.521  -8.659
   75    H8     G   7           H8         G   7  -2.427  -6.569  -7.563
   76    H1     G   7           H1         G   7  -0.298  -3.166 -12.564
   77   1H2     G   7          H22         G   7   1.816  -3.470 -12.855
   78   2H2     G   7          H21         G   7   2.756  -4.516 -11.797
   79   1H5*    C   8          H5*         C   8   4.437  -6.075  -5.024
   80   2H5*    C   8          H5**        C   8   5.036  -4.837  -3.912
   81    H4*    C   8           H4*        C   8   6.183  -4.844  -6.095
   82    H3*    C   8           H3*        C   8   4.810  -2.312  -5.222
   83    H2*    C   8           H2*        C   8   5.435  -1.317  -7.300
   84   2HO*    C   8          2HO*        C   8   7.586  -2.684  -7.000
   85    H1*    C   8           H1*        C   8   5.154  -3.648  -8.884
   86   1H4     C   8          H41         C   8   0.108  -0.465 -10.552
   87   2H4     C   8          H42         C   8  -0.865  -0.776  -9.186
   88    H5     C   8           H5         C   8   0.264  -2.207  -7.254
   89    H6     C   8           H6         C   8   2.381  -3.206  -6.594
   90   1H5*    C   9          H5*         C   9   9.040  -1.588  -6.808
   91   2H5*    C   9          H5**        C   9   9.640  -0.280  -5.784
   92    H4*    C   9           H4*        C   9   9.700   0.083  -8.286
   93    H3*    C   9           H3*        C   9   8.590   2.126  -6.391
   94    H2*    C   9           H2*        C   9   8.263   3.538  -8.301
   95   2HO*    C   9          2HO*        C   9   9.930   3.268  -9.685
   96    H1*    C   9           H1*        C   9   7.150   1.592  -9.916
   97   1H4     C   9          H42         C   9   2.037   4.272  -6.884
   98   2H4     C   9          H41         C   9   2.275   3.043  -5.683
   99    H5     C   9           H5         C   9   4.057   1.520  -5.595
  100    H6     C   9           H6         C   9   6.080   0.785  -6.632
  101   1H5*    A  10          H5*         A  10  12.082   3.315  -8.468
  102   2H5*    A  10          H5**        A  10  13.211   4.430  -7.680
  103    H4*    A  10           H4*        A  10  12.380   5.357  -9.773
  104    H3*    A  10           H3*        A  10  11.654   6.805  -7.225
  105    H2*    A  10           H2*        A  10  10.387   8.351  -8.502
  106   2HO*    A  10          2HO*        A  10  12.268   8.089 -10.227
  107    H1*    A  10           H1*        A  10   9.450   6.501 -10.429
  108    H8     A  10           H8         A  10   8.831   5.071  -6.971
  109   1H6     A  10          H61         A  10   3.435   8.052  -7.286
  110   2H6     A  10          H62         A  10   4.189   6.936  -6.294
  111    H2     A  10           H2         A  10   5.852   9.477 -10.592
  112   1H5*    C  11          H5*         C  11  13.330   9.943  -9.162
  113   2H5*    C  11          H5**        C  11  14.369  10.882  -8.073
  114    H4*    C  11           H4*        C  11  12.292  12.047  -8.880
  115    H3*    C  11           H3*        C  11  12.985  11.905  -5.965
  116    H2*    C  11           H2*        C  11  10.821  12.696  -5.361
  117   2HO*    C  11          2HO*        C  11  11.305  14.197  -7.465
  118    H1*    C  11           H1*        C  11   9.445  11.799  -7.701
  119   1H4     C  11          H42         C  11   6.477   8.181  -3.367
  120   2H4     C  11          H41         C  11   7.857   7.122  -3.359
  121    H5     C  11           H5         C  11   9.908   7.532  -4.525
  122    H6     C  11           H6         C  11  11.099   9.080  -5.979
  123   1H5*    U  12          H5*         U  12  11.533  15.957  -6.504
  124   2H5*    U  12          H5**        U  12  12.816  17.001  -5.892
  125    H4*    U  12           H4*        U  12  10.597  17.498  -4.983
  126    H3*    U  12           H3*        U  12  12.906  16.993  -3.151
  127    H2*    U  12           H2*        U  12  11.452  17.241  -1.279
  128   2HO*    U  12          2HO*        U  12  10.216  18.928  -2.795
  129    H1*    U  12           H1*        U  12   9.263  15.865  -2.319
  130    H3     U  12           H3         U  12  11.340  13.506   1.175
  131    H5     U  12           H5         U  12  12.610  11.881  -2.488
  132    H6     U  12           H6         U  12  11.653  13.753  -3.570
  133   1H5*    G  13          H5*         G  13  10.983  20.524  -2.146
  134   2H5*    G  13          H5**        G  13  11.991  21.752  -1.397
  135    H4*    G  13           H4*        G  13  10.038  20.600  -0.141
  136    H3*    G  13           H3*        G  13  12.157  22.080   0.816
  137    H2*    G  13           H2*        G  13  13.306  20.509   2.056
  138   2HO*    G  13          2HO*        G  13  11.316  21.403   3.518
  139    H1*    G  13           H1*        G  13  11.027  18.551   2.355
  140    H8     G  13           H8         G  13  13.781  18.253  -0.209
  141    H1     G  13           H1         G  13  14.921  14.988   5.173
  142   1H2     G  13          H21         G  13  13.703  15.354   6.533
  143   2H2     G  13          H22         G  13  12.365  16.363   6.646
  144   1H5*    C  14          H5*         C  14   8.959  22.439   4.418
  145   2H5*    C  14          H5**        C  14   9.301  24.107   4.880
  146    H4*    C  14           H4*        C  14   9.333  22.568   6.748
  147    H3*    C  14           H3*        C  14  12.062  23.815   6.316
  148    H2*    C  14           H2*        C  14  12.474  22.889   8.505
  149   2HO*    C  14          2HO*        C  14   9.993  23.243   8.981
  150    H1*    C  14           H1*        C  14  11.332  20.420   7.761
  151   1H4     C  14          H41         C  14  17.539  20.090   7.402
  152   2H4     C  14          H42         C  14  17.722  20.546   5.798
  153    H5     C  14           H5         C  14  15.527  21.460   4.597
  154    H6     C  14           H6         C  14  13.133  21.808   4.962
  155   1H5*    A  15          H5*         A  15  10.558  24.888  10.183
  156   2H5*    A  15          H5**        A  15  11.173  26.467  10.691
  157    H4*    A  15           H4*        A  15  11.593  24.578  12.274
  158    H3*    A  15           H3*        A  15  13.915  26.266  11.340
  159    H2*    A  15           H2*        A  15  15.318  24.913  12.699
  160   2HO*    A  15          2HO*        A  15  13.298  24.911  14.304
  161    H1*    A  15           H1*        A  15  13.908  22.478  12.275
  162    H8     A  15           H8         A  15  14.808  24.428   9.132
  163   1H6     A  15          H62         A  15  19.982  20.967   9.086
  164   2H6     A  15          H61         A  15  19.027  22.126   8.181
  165    H2     A  15           H2         A  15  17.850  20.212  12.901
  166   1H5*    G  16          H5*         G  16  14.434  26.483  15.586
  167   2H5*    G  16          H5**        G  16  14.917  28.156  15.873
  168    H4*    G  16           H4*        G  16  16.588  26.731  16.702
  169    H3*    G  16           H3*        G  16  17.606  28.147  14.211
  170    H2*    G  16           H2*        G  16  19.742  27.148  14.957
  171   2HO*    G  16          2HO*        G  16  19.855  26.009  16.909
  172    H1*    G  16           H1*        G  16  18.679  24.635  15.035
  173    H8     G  16           H8         G  16  16.940  27.081  12.718
  174    H1     G  16           H1         G  16  21.179  23.357   9.709
  175   1H2     G  16          H22         G  16  22.260  22.166  11.086
  176   2H2     G  16          H21         G  16  21.984  22.238  12.815
  177   1H5*    A  17          H5*         A  17  21.025  30.250  14.010
  178   2H5*    A  17          H5**        A  17  20.391  28.929  14.956
  179    H4*    A  17           H4*        A  17  20.942  31.671  16.005
  180    H3*    A  17           H3*        A  17  22.525  29.134  16.054
  181    H2*    A  17           H2*        A  17  23.128  29.490  18.241
  182   2HO*    A  17          2HO*        A  17  23.889  31.625  18.116
  183    H1*    A  17           H1*        A  17  20.740  31.008  18.873
  184    H8     A  17           H8         A  17  18.954  28.162  18.364
  185   1H6     A  17          H62         A  17  21.125  25.620  23.617
  186   2H6     A  17          H61         A  17  19.854  25.515  22.401
  187    H2     A  17           H2         A  17  23.792  28.967  22.520
  188   1H5*    G  18          H5*         G  18  25.421  28.440  13.417
  189   2H5*    G  18          H5**        G  18  23.906  28.712  14.276
  190    H4*    G  18           H4*        G  18  26.433  28.277  15.806
  191    H3*    G  18           H3*        G  18  24.868  26.013  14.547
  192    H2*    G  18           H2*        G  18  25.338  24.795  16.534
  193   2HO*    G  18          2HO*        G  18  27.577  26.206  16.473
  194    H1*    G  18           H1*        G  18  25.107  27.052  18.269
  195    H8     G  18           H8         G  18  22.176  26.613  15.855
  196    H1     G  18           H1         G  18  21.665  23.308  21.341
  197   1H2     G  18          H21         G  18  23.555  23.396  22.475
  198   2H2     G  18          H22         G  18  24.934  24.281  21.840
  199   1H5*    A  19          H5*         A  19  28.331  24.052  15.416
  200   2H5*    A  19          H5**        A  19  28.766  22.925  14.125
  201    H4*    A  19           H4*        A  19  28.379  21.764  16.207
  202    H3*    A  19           H3*        A  19  26.364  21.096  14.048
  203    H2*    A  19           H2*        A  19  25.520  19.481  15.602
  204   2HO*    A  19          2HO*        A  19  27.916  19.292  16.490
  205    H1*    A  19           H1*        A  19  25.391  21.205  17.726
  206    H8     A  19           H8         A  19  24.727  23.108  14.574
  207   1H6     A  19          H62         A  19  18.905  21.004  14.840
  208   2H6     A  19          H61         A  19  19.975  22.140  14.032
  209    H2     A  19           H2         A  19  21.297  18.819  17.878
  210   1H5*    U  20          H5*         U  20  26.771  17.441  15.053
  211   2H5*    U  20          H5**        U  20  26.738  16.447  13.590
  212    H4*    U  20           H4*        U  20  24.734  16.435  15.253
  213    H3*    U  20           H3*        U  20  24.366  16.459  12.249
  214    H2*    U  20           H2*        U  20  22.022  16.269  12.719
  215   2HO*    U  20          2HO*        U  20  22.708  15.042  14.876
  216    H1*    U  20           H1*        U  20  22.021  18.312  14.580
  217    H3     U  20           H3         U  20  20.109  19.822  10.725
  218    H5     U  20           H5         U  20  24.237  20.284  10.129
  219    H6     U  20           H6         U  20  24.584  19.070  12.161
  220   1H5*    G  21          H5*         G  21  22.214  13.273  14.087
  221   2H5*    G  21          H5**        G  21  21.779  12.011  12.946
  222    H4*    G  21           H4*        G  21  20.037  13.522  14.228
  223    H3*    G  21           H3*        G  21  19.703  11.656  12.226
  224    H2*    G  21           H2*        G  21  19.255  13.142  10.448
  225   2HO*    G  21          2HO*        G  21  16.998  12.558  11.807
  226    H1*    G  21           H1*        G  21  18.142  15.247  12.344
  227    H8     G  21           H8         G  21  21.223  15.258  10.067
  228    H1     G  21           H1         G  21  16.270  18.845   8.082
  229   1H2     G  21          H22         G  21  14.575  18.579   9.339
  230   2H2     G  21          H21         G  21  14.631  17.459  10.686
  231   1H5*    C  22          H5*         C  22  15.298  12.470  13.882
  232   2H5*    C  22          H5**        C  22  14.621  10.834  13.865
  233    H4*    C  22           H4*        C  22  13.151  12.389  12.742
  234    H3*    C  22           H3*        C  22  14.364  10.336  10.901
  235    H2*    C  22           H2*        C  22  13.026  11.278   9.182
  236   2HO*    C  22          2HO*        C  22  11.034  11.868   9.800
  237    H1*    C  22           H1*        C  22  13.255  13.934  10.207
  238   1H4     C  22          H42         C  22  16.805  14.414   4.971
  239   2H4     C  22          H41         C  22  17.859  13.136   5.531
  240    H5     C  22           H5         C  22  17.537  11.912   7.547
  241    H6     C  22           H6         C  22  16.128  11.638   9.511
  242   1H5*    A  23          H5*         A  23  10.051  10.705  11.548
  243   2H5*    A  23          H5**        A  23   9.181   9.197  11.282
  244    H4*    A  23           H4*        A  23   8.193  11.279  10.319
  245    H3*    A  23           H3*        A  23   7.793   8.775   9.444
  246    H2*    A  23           H2*        A  23   9.584   8.882   7.803
  247   2HO*    A  23          2HO*        A  23   7.028   9.118   6.894
  248    H1*    A  23           H1*        A  23   8.505  11.708   7.192
  249    H8     A  23           H8         A  23  11.944   9.939   7.553
  250   1H6     A  23          H62         A  23  13.208  12.467   2.023
  251   2H6     A  23          H61         A  23  13.865  11.510   3.348
  252    H2     A  23           H2         A  23   9.045  13.527   3.078
  253   1H5*    A  24          H5*         A  24   4.996   8.365   5.634
  254   2H5*    A  24          H5**        A  24   4.411   9.853   6.409
  255    H4*    A  24           H4*        A  24   2.986   8.215   7.810
  256    H3*    A  24           H3*        A  24   3.360   6.388   5.433
  257    H2*    A  24           H2*        A  24   1.161   5.619   6.042
  258   2HO*    A  24          2HO*        A  24   1.441   5.729   8.327
  259    H1*    A  24           H1*        A  24   0.305   8.265   6.613
  260    H8     A  24           H8         A  24   1.213   9.541   3.700
  261   1H6     A  24          H61         A  24  -2.769   6.147   0.398
  262   2H6     A  24          H62         A  24  -1.748   7.590   0.395
  263    H2     A  24           H2         A  24  -2.260   4.178   4.336
  264   1H5*    U  25          H5*         U  25   2.555   5.431  10.019
  265   2H5*    U  25          H5**        U  25   2.946   3.717  10.218
  266    H4*    U  25           H4*        U  25   1.076   4.031  11.476
  267    H3*    U  25           H3*        U  25   0.100   2.776   8.915
  268    H2*    U  25           H2*        U  25  -1.992   2.620  10.039
  269   2HO*    U  25          2HO*        U  25  -1.699   2.069  12.132
  270    H1*    U  25           H1*        U  25  -1.623   5.130  11.352
  271    H3     U  25           H3         U  25  -5.586   5.338   9.049
  272    H5     U  25           H5         U  25  -2.619   6.449   6.321
  273    H6     U  25           H6         U  25  -0.982   5.714   7.892
  274   1H5*    C  26          H5*         C  26  -0.251   0.201  12.800
  275   2H5*    C  26          H5**        C  26  -0.516  -1.472  12.273
  276    H4*    C  26           H4*        C  26  -2.205  -0.534  13.901
  277    H3*    C  26           H3*        C  26  -3.165  -1.734  11.296
  278    H2*    C  26           H2*        C  26  -5.388  -1.237  12.046
  279   2HO*    C  26          2HO*        C  26  -4.503  -1.829  14.353
  280    H1*    C  26           H1*        C  26  -4.727   1.238  13.240
  281   1H4     C  26          H41         C  26  -7.466   3.109   8.033
  282   2H4     C  26          H42         C  26  -6.333   2.608   6.884
  283    H5     C  26           H5         C  26  -4.193   1.387   7.856
  284    H6     C  26           H6         C  26  -3.247   0.510   9.937
  285   1H5*    C  27          H5*         C  27  -5.398  -3.428  14.856
  286   2H5*    C  27          H5**        C  27  -5.660  -5.122  14.440
  287    H4*    C  27           H4*        C  27  -7.652  -3.614  15.138
  288    H3*    C  27           H3*        C  27  -7.774  -5.687  12.951
  289    H2*    C  27           H2*        C  27 -10.079  -5.112  12.728
  290   2HO*    C  27          2HO*        C  27 -10.077  -4.732  15.225
  291    H1*    C  27           H1*        C  27  -9.675  -2.328  12.922
  292   1H4     C  27          H41         C  27 -10.195  -3.781   6.826
  293   2H4     C  27          H42         C  27  -8.541  -3.704   6.476
  294    H5     C  27           H5         C  27  -6.913  -3.574   8.574
  295    H6     C  27           H6         C  27  -6.909  -3.331  11.005
  296   1H5*    A  28          H5*         A  28 -11.079  -7.472  14.820
  297   2H5*    A  28          H5**        A  28 -10.479  -9.121  15.059
  298    H4*    A  28           H4*        A  28 -12.406  -9.327  13.760
  299    H3*    A  28           H3*        A  28 -10.024  -9.590  11.923
  300    H2*    A  28           H2*        A  28 -11.600 -10.216  10.277
  301   2HO*    A  28          2HO*        A  28 -13.314 -11.327  10.960
  302    H1*    A  28           H1*        A  28 -13.444  -8.197  11.019
  303    H8     A  28           H8         A  28  -9.584  -7.978  10.540
  304   1H6     A  28          H62         A  28 -10.969  -5.422   5.091
  305   2H6     A  28          H61         A  28  -9.691  -5.904   6.202
  306    H2     A  28           H2         A  28 -14.811  -6.487   7.109
  307   1H5*    G  29          H5*         G  29 -12.574 -13.198  12.389
  308   2H5*    G  29          H5**        G  29 -11.826 -14.659  11.744
  309    H4*    G  29           H4*        G  29 -14.151 -13.748  10.906
  310    H3*    G  29           H3*        G  29 -12.837 -15.833   9.943
  311    H2*    G  29           H2*        G  29 -11.276 -14.235   8.794
  312   2HO*    G  29          2HO*        G  29 -13.167 -15.559   7.085
  313    H1*    G  29           H1*        G  29 -13.972 -13.138   7.805
  314    H8     G  29           H8         G  29 -10.271 -12.066   8.347
  315    H1     G  29           H1         G  29 -13.141  -9.901   3.041
  316   1H2     G  29          H22         G  29 -15.161 -10.630   2.930
  317   2H2     G  29          H21         G  29 -15.847 -11.673   4.178
  318   1H5*    U  30          H5*         U  30 -14.732 -14.539   6.206
  319   2H5*    U  30          H5**        U  30 -16.185 -15.549   6.137
  320    H4*    U  30           H4*        U  30 -15.268 -15.193   3.932
  321    H3*    U  30           H3*        U  30 -15.263 -18.024   4.957
  322    H2*    U  30           H2*        U  30 -14.445 -18.668   2.815
  323   2HO*    U  30          2HO*        U  30 -15.665 -17.251   1.522
  324    H1*    U  30           H1*        U  30 -12.672 -16.447   2.561
  325    H3     U  30           H3         U  30 -10.611 -20.789   3.242
  326    H5     U  30           H5         U  30  -9.746 -18.117   6.342
  327    H6     U  30           H6         U  30 -11.487 -16.685   5.472
  328   1H5*    G  31          H5*         G  31 -17.258 -16.134   0.989
  329   2H5*    G  31          H5**        G  31 -18.571 -17.263   0.603
  330    H4*    G  31           H4*        G  31 -17.639 -16.984  -1.421
  331    H3*    G  31           H3*        G  31 -16.258 -19.428  -0.347
  332    H2*    G  31           H2*        G  31 -15.184 -19.586  -2.401
  333   2HO*    G  31          2HO*        G  31 -16.634 -19.245  -4.011
  334    H1*    G  31           H1*        G  31 -15.009 -16.750  -2.780
  335    H8     G  31           H8         G  31 -13.429 -18.248   0.417
  336    H1     G  31           H1         G  31  -9.673 -18.118  -4.782
  337   1H2     G  31          H21         G  31 -10.560 -17.598  -6.358
  338   2H2     G  31          H22         G  31 -12.159 -17.130  -6.624
  339   1H5*    G  32          H5*         G  32 -18.905 -20.013  -3.600
  340   2H5*    G  32          H5**        G  32 -19.623 -21.614  -3.800
  341    H4*    G  32           H4*        G  32 -18.406 -20.785  -5.781
  342    H3*    G  32           H3*        G  32 -17.403 -23.378  -4.599
  343    H2*    G  32           H2*        G  32 -16.056 -23.483  -6.573
  344   2HO*    G  32          2HO*        G  32 -16.929 -22.644  -8.365
  345    H1*    G  32           H1*        G  32 -15.393 -20.768  -6.498
  346    H8     G  32           H8         G  32 -15.228 -22.733  -3.201
  347    H1     G  32           H1         G  32  -9.913 -22.731  -6.784
  348   1H2     G  32          H21         G  32 -10.160 -21.923  -8.492
  349   2H2     G  32          H22         G  32 -11.512 -21.162  -9.176
  350   1H5*    U  33          H5*         U  33 -19.176 -23.200  -8.661
  351   2H5*    U  33          H5**        U  33 -19.750 -24.770  -9.245
  352    H4*    U  33           H4*        U  33 -18.274 -23.554 -10.828
  353    H3*    U  33           H3*        U  33 -17.429 -26.323  -9.949
  354    H2*    U  33           H2*        U  33 -15.625 -26.093 -11.517
  355   2HO*    U  33          2HO*        U  33 -17.266 -24.666 -12.890
  356    H1*    U  33           H1*        U  33 -15.025 -23.457 -10.792
  357    H3     U  33           H3         U  33 -11.531 -26.013  -9.386
  358    H5     U  33           H5         U  33 -14.392 -26.237  -6.301
  359    H6     U  33           H6         U  33 -15.937 -25.166  -7.778
  360   1H5*    C  34          H5*         C  34 -17.364 -26.580 -13.988
  361   2H5*    C  34          H5**        C  34 -18.073 -28.100 -14.557
  362    H4*    C  34           H4*        C  34 -15.703 -27.757 -15.224
  363    H3*    C  34           H3*        C  34 -16.363 -30.203 -13.589
  364    H2*    C  34           H2*        C  34 -14.106 -30.827 -13.816
  365   2HO*    C  34          2HO*        C  34 -13.134 -30.418 -15.670
  366    H1*    C  34           H1*        C  34 -13.109 -28.153 -13.693
  367   1H4     C  34          H42         C  34 -11.337 -31.142  -8.387
  368   2H4     C  34          H41         C  34 -12.660 -30.378  -7.517
  369    H5     C  34           H5         C  34 -14.386 -29.069  -8.680
  370    H6     C  34           H6         C  34 -15.132 -28.287 -10.867
  371   1H5*    C  35          H5*         C  35 -14.633 -30.737 -17.655
  372   2H5*    C  35          H5**        C  35 -14.732 -32.378 -18.282
  373    H4*    C  35           H4*        C  35 -12.456 -31.000 -17.830
  374    H3*    C  35           H3*        C  35 -12.736 -33.321 -19.062
  375    H2*    C  35           H2*        C  35 -13.180 -34.545 -16.939
  376   2HO*    C  35          2HO*        C  35 -10.690 -35.305 -16.557
  377    H1*    C  35           H1*        C  35 -10.660 -33.069 -15.978
  378   1H4     C  35          H41         C  35 -11.673 -36.777 -11.063
  379   2H4     C  35          H42         C  35 -13.040 -35.987 -10.430
  380    H5     C  35           H5         C  35 -14.122 -34.112 -12.020
  381    H6     C  35           H6         C  35 -13.741 -32.940 -14.133
  382    H3T    C  35           H3T        C  35 -10.438 -33.565 -18.769
  383   1H5*    A  36          H5*         A  36 -10.801 -13.099  -8.352
  384   2H5*    A  36          H5**        A  36 -12.412 -13.618  -8.819
  385    H4*    A  36           H4*        A  36 -13.208 -13.549  -6.773
  386    H3*    A  36           H3*        A  36 -11.697 -10.994  -6.192
  387    H2*    A  36           H2*        A  36 -12.306 -11.429  -3.913
  388   2HO*    A  36          2HO*        A  36 -14.469 -12.313  -4.496
  389    H1*    A  36           H1*        A  36 -11.666 -14.178  -4.125
  390    H8     A  36           H8         A  36  -8.966 -12.398  -5.912
  391   1H6     A  36          H61         A  36  -6.380 -11.271  -0.368
  392   2H6     A  36          H62         A  36  -6.089 -11.205  -2.104
  393    H2     A  36           H2         A  36 -10.460 -12.774   0.318
  394    H5T    A  36           H5T        A  36 -12.769 -11.139  -8.225
  395   1H5*    C  37          H5*         C  37 -16.258 -10.562  -4.916
  396   2H5*    C  37          H5**        C  37 -16.524  -8.868  -5.370
  397    H4*    C  37           H4*        C  37 -17.399  -9.254  -3.167
  398    H3*    C  37           H3*        C  37 -14.943  -7.503  -3.198
  399    H2*    C  37           H2*        C  37 -15.164  -7.288  -0.877
  400   2HO*    C  37          2HO*        C  37 -17.212  -7.000  -0.230
  401    H1*    C  37           H1*        C  37 -16.143  -9.935  -0.460
  402   1H4     C  37          H42         C  37 -10.433 -10.046   2.060
  403   2H4     C  37          H41         C  37  -9.620 -10.096   0.496
  404    H5     C  37           H5         C  37 -10.885  -9.887  -1.594
  405    H6     C  37           H6         C  37 -13.124  -9.626  -2.536
  406   1H5*    U  38          H5*         U  38 -18.697  -5.717  -1.390
  407   2H5*    U  38          H5**        U  38 -18.624  -3.973  -1.663
  408    H4*    U  38           H4*        U  38 -19.186  -4.619   0.643
  409    H3*    U  38           H3*        U  38 -16.719  -2.896   0.307
  410    H2*    U  38           H2*        U  38 -16.714  -2.801   2.701
  411   2HO*    U  38          2HO*        U  38 -19.240  -2.801   2.526
  412    H1*    U  38           H1*        U  38 -17.472  -5.507   3.029
  413    H3     U  38           H3         U  38 -13.367  -5.287   4.967
  414    H5     U  38           H5         U  38 -12.571  -5.252   0.856
  415    H6     U  38           H6         U  38 -14.939  -5.042   0.466
  416   1H5*    G  39          H5*         G  39 -19.228  -0.895   3.030
  417   2H5*    G  39          H5**        G  39 -19.031   0.838   2.782
  418    H4*    G  39           H4*        G  39 -18.553   0.122   5.061
  419    H3*    G  39           H3*        G  39 -16.254   1.429   3.633
  420    H2*    G  39           H2*        G  39 -15.150   1.374   5.722
  421   2HO*    G  39          2HO*        G  39 -16.399   1.731   7.440
  422    H1*    G  39           H1*        G  39 -16.190  -1.195   6.416
  423    H8     G  39           H8         G  39 -14.581  -0.789   2.984
  424    H1     G  39           H1         G  39 -10.591  -2.195   7.785
  425   1H2     G  39          H21         G  39 -11.400  -2.152   9.457
  426   2H2     G  39          H22         G  39 -12.962  -1.838   9.990
  427   1H5*    G  40          H5*         G  40 -17.777   3.319   7.252
  428   2H5*    G  40          H5**        G  40 -17.772   5.079   7.048
  429    H4*    G  40           H4*        G  40 -16.830   4.379   9.209
  430    H3*    G  40           H3*        G  40 -15.101   5.901   7.261
  431    H2*    G  40           H2*        G  40 -13.354   5.805   8.871
  432   2HO*    G  40          2HO*        G  40 -15.316   6.074  10.548
  433    H1*    G  40           H1*        G  40 -14.008   3.198   9.878
  434    H8     G  40           H8         G  40 -13.609   3.649   6.095
  435    H1     G  40           H1         G  40  -8.301   1.822   9.230
  436   1H2     G  40          H22         G  40  -8.599   1.899  11.364
  437   2H2     G  40          H21         G  40 -10.148   2.380  12.030
  438   1H5*    C  41          H5*         C  41 -12.835   7.672   7.669
  439   2H5*    C  41          H5**        C  41 -13.819   7.848   9.135
  440    H4*    C  41           H4*        C  41 -13.892  10.341   8.517
  441    H3*    C  41           H3*        C  41 -12.374  10.089   6.369
  442    H2*    C  41           H2*        C  41 -10.826   8.503   7.544
  443   2HO*    C  41          2HO*        C  41  -9.780  10.611   6.513
  444    H1*    C  41           H1*        C  41 -10.661  10.738   9.624
  445   1H4     C  41          H42         C  41  -7.292   6.651  13.059
  446   2H4     C  41          H41         C  41  -8.354   5.312  12.650
  447    H5     C  41           H5         C  41 -10.208   5.568  11.140
  448    H6     C  41           H6         C  41 -11.400   7.165   9.729
  449   1H5*    U  42          H5*         U  42 -10.085  13.112   6.989
  450   2H5*    U  42          H5**        U  42 -10.061  14.365   5.741
  451    H4*    U  42           H4*        U  42  -8.239  12.551   5.725
  452    H3*    U  42           H3*        U  42  -9.745  13.285   3.204
  453    H2*    U  42           H2*        U  42  -8.187  11.843   2.105
  454   2HO*    U  42          2HO*        U  42  -6.307  12.477   3.350
  455    H1*    U  42           H1*        U  42  -8.329   9.857   4.136
  456    H3     U  42           H3         U  42 -10.114   7.780   0.552
  457    H5     U  42           H5         U  42 -12.958  10.712   1.474
  458    H6     U  42           H6         U  42 -11.428  11.571   3.133
  459   1H5*    U  43          H5*         U  43  -5.188  13.879   4.307
  460   2H5*    U  43          H5**        U  43  -4.723  15.263   3.312
  461    H4*    U  43           H4*        U  43  -2.881  13.839   3.473
  462    H3*    U  43           H3*        U  43  -4.059  13.538   0.698
  463    H2*    U  43           H2*        U  43  -1.907  12.483   0.229
  464   2HO*    U  43          2HO*        U  43  -0.731  13.772   1.942
  465    H1*    U  43           H1*        U  43  -2.346  10.748   2.339
  466    H3     U  43           H3         U  43  -3.461   8.797  -1.699
  467    H5     U  43           H5         U  43  -6.983  10.536  -0.266
  468    H6     U  43           H6         U  43  -5.672  11.629   1.429
  469   1H5*    G  44          H5*         G  44  -0.649  14.563  -0.389
  470   2H5*    G  44          H5**        G  44  -0.686  16.093  -1.256
  471    H4*    G  44           H4*        G  44  -0.135  15.258  -3.157
  472    H3*    G  44           H3*        G  44  -1.698  12.708  -2.868
  473    H2*    G  44           H2*        G  44  -0.274  11.912  -4.612
  474   2HO*    G  44          2HO*        G  44  -0.316  13.733  -5.994
  475    H1*    G  44           H1*        G  44   1.927  13.497  -3.701
  476    H8     G  44           H8         G  44   0.382  10.840  -1.386
  477    H1     G  44           H1         G  44   5.544   9.092  -4.797
  478   1H2     G  44          H21         G  44   6.064  10.431  -6.064
  479   2H2     G  44          H22         G  44   5.395  11.972  -6.347
  480   1H5*    U  45          H5*         U  45  -1.485  15.569  -6.857
  481   2H5*    U  45          H5**        U  45  -2.757  14.904  -7.902
  482    H4*    U  45           H4*        U  45  -0.728  15.401  -9.155
  483    H3*    U  45           H3*        U  45  -1.539  12.492  -9.023
  484    H2*    U  45           H2*        U  45   0.315  12.007 -10.403
  485   2HO*    U  45          2HO*        U  45  -0.127  14.287 -11.507
  486    H1*    U  45           H1*        U  45   2.115  13.698  -9.137
  487    H3     U  45           H3         U  45   3.868   9.840  -7.746
  488    H5     U  45           H5         U  45  -0.038   9.735  -6.153
  489    H6     U  45           H6         U  45  -0.473  11.779  -7.289
  490   1H5*    G  46          H5*         G  46  -1.481  12.692 -13.044
  491   2H5*    G  46          H5**        G  46  -2.660  11.548 -13.689
  492    H4*    G  46           H4*        G  46  -0.173  11.025 -13.971
  493    H3*    G  46           H3*        G  46  -2.097   8.934 -12.973
  494    H2*    G  46           H2*        G  46  -0.277   7.458 -12.835
  495   2HO*    G  46          2HO*        G  46   1.127   7.539 -14.453
  496    H1*    G  46           H1*        G  46   1.644   9.465 -12.042
  497    H8     G  46           H8         G  46  -1.414   9.504  -9.911
  498    H1     G  46           H1         G  46   2.954   5.082  -8.334
  499   1H2     G  46          H21         G  46   4.273   4.852  -9.582
  500   2H2     G  46          H22         G  46   4.576   5.563 -11.072
  501   1H5*    G  47          H5*         G  47   0.185   7.959 -16.546
  502   2H5*    G  47          H5**        G  47  -0.663   6.830 -17.608
  503    H4*    G  47           H4*        G  47   1.638   6.152 -16.977
  504    H3*    G  47           H3*        G  47  -0.602   4.235 -16.299
  505    H2*    G  47           H2*        G  47   1.180   2.706 -15.734
  506   2HO*    G  47          2HO*        G  47   2.544   3.951 -17.539
  507    H1*    G  47           H1*        G  47   2.605   4.630 -14.299
  508    H8     G  47           H8         G  47  -1.115   5.017 -13.738
  509    H1     G  47           H1         G  47   1.698   0.546 -10.080
  510   1H2     G  47          H22         G  47   3.709   0.130 -10.750
  511   2H2     G  47          H21         G  47   4.381   1.027 -12.098
  512   1H5*    C  48          H5*         C  48   2.241   2.341 -18.805
  513   2H5*    C  48          H5**        C  48   1.438   1.395 -20.072
  514    H4*    C  48           H4*        C  48   3.122   0.099 -18.833
  515    H3*    C  48           H3*        C  48   0.262  -0.849 -18.712
  516    H2*    C  48           H2*        C  48   1.033  -2.694 -17.403
  517   2HO*    C  48          2HO*        C  48   3.004  -3.343 -18.150
  518    H1*    C  48           H1*        C  48   2.742  -1.179 -15.795
  519   1H4     C  48          H42         C  48  -2.552  -1.637 -12.383
  520   2H4     C  48          H41         C  48  -3.236  -0.196 -13.141
  521    H5     C  48           H5         C  48  -2.107   0.919 -15.013
  522    H6     C  48           H6         C  48  -0.166   0.829 -16.457
  523   1H5*    G  49          H5*         G  49   3.702  -2.934 -20.629
  524   2H5*    G  49          H5**        G  49   3.413  -4.371 -21.608
  525    H4*    G  49           H4*        G  49   5.114  -4.210 -19.518
  526    H3*    G  49           H3*        G  49   4.828  -6.189 -21.234
  527    H2*    G  49           H2*        G  49   2.608  -6.829 -20.307
  528   2HO*    G  49          2HO*        G  49   3.352  -8.763 -18.827
  529    H1*    G  49           H1*        G  49   4.094  -6.770 -17.610
  530    H8     G  49           H8         G  49   0.887  -4.920 -17.918
  531    H1     G  49           H1         G  49   0.118 -10.896 -15.695
  532   1H2     G  49          H21         G  49   1.950 -12.046 -15.987
  533   2H2     G  49          H22         G  49   3.373 -11.344 -16.731
  534    H3T    G  49           H3T        G  49   5.862  -7.549 -19.579
  Start of MODEL   17
    1   1H5*    G   1          H5*         G   1 -10.306 -39.227 -12.580
    2   2H5*    G   1          H5**        G   1  -8.635 -38.933 -12.104
    3    H4*    G   1           H4*        G   1  -8.638 -38.204 -14.212
    4    H3*    G   1           H3*        G   1  -8.327 -36.144 -12.385
    5    H2*    G   1           H2*        G   1 -10.106 -34.792 -12.896
    6   2HO*    G   1          2HO*        G   1  -8.191 -34.210 -14.531
    7    H1*    G   1           H1*        G   1 -10.608 -35.866 -15.673
    8    H8     G   1           H8         G   1 -12.483 -36.876 -12.552
    9    H1     G   1           H1         G   1 -15.403 -32.338 -15.976
   10   1H2     G   1          H21         G   1 -14.382 -31.655 -17.370
   11   2H2     G   1          H22         G   1 -12.839 -31.972 -17.955
   12    H5T    G   1           H5T        G   1  -9.274 -37.494 -10.687
   13   1H5*    G   2          H5*         G   2  -5.885 -33.870 -15.654
   14   2H5*    G   2          H5**        G   2  -4.601 -33.281 -14.591
   15    H4*    G   2           H4*        G   2  -5.659 -31.399 -15.568
   16    H3*    G   2           H3*        G   2  -6.536 -31.648 -12.680
   17    H2*    G   2           H2*        G   2  -7.592 -29.547 -13.021
   18   2HO*    G   2          2HO*        G   2  -6.703 -28.175 -14.394
   19    H1*    G   2           H1*        G   2  -8.533 -30.247 -15.586
   20    H8     G   2           H8         G   2  -8.895 -32.739 -12.648
   21    H1     G   2           H1         G   2 -13.747 -28.653 -13.553
   22   1H2     G   2          H22         G   2 -13.235 -27.197 -15.092
   23   2H2     G   2          H21         G   2 -11.666 -27.239 -15.884
   24   1H5*    A   3          H5*         A   3  -4.381 -28.034 -13.840
   25   2H5*    A   3          H5**        A   3  -4.010 -26.929 -12.519
   26    H4*    A   3           H4*        A   3  -5.658 -26.355 -14.548
   27    H3*    A   3           H3*        A   3  -5.819 -25.214 -11.757
   28    H2*    A   3           H2*        A   3  -7.595 -23.863 -12.651
   29   2HO*    A   3          2HO*        A   3  -6.275 -24.019 -14.882
   30    H1*    A   3           H1*        A   3  -8.760 -25.977 -14.081
   31    H8     A   3           H8         A   3  -7.936 -27.511 -10.836
   32   1H6     A   3          H61         A   3 -13.021 -24.617  -8.602
   33   2H6     A   3          H62         A   3 -11.979 -25.877  -8.132
   34    H2     A   3           H2         A   3 -12.161 -22.957 -12.482
   35   1H5*    C   4          H5*         C   4  -5.821 -22.107 -14.175
   36   2H5*    C   4          H5**        C   4  -4.671 -20.851 -13.681
   37    H4*    C   4           H4*        C   4  -6.893 -19.915 -13.855
   38    H3*    C   4           H3*        C   4  -5.725 -20.077 -11.085
   39    H2*    C   4           H2*        C   4  -7.668 -19.057 -10.250
   40   2HO*    C   4          2HO*        C   4  -8.138 -17.400 -11.645
   41    H1*    C   4           H1*        C   4  -9.463 -20.364 -12.019
   42   1H4     C   4          H41         C   4 -10.360 -22.943  -6.399
   43   2H4     C   4          H42         C   4  -9.341 -24.247  -6.574
   44    H5     C   4           H5         C   4  -7.708 -24.174  -8.733
   45    H6     C   4           H6         C   4  -7.248 -22.867 -10.754
   46   1H5*    C   5          H5*         C   5  -6.769 -16.196 -12.592
   47   2H5*    C   5          H5**        C   5  -5.646 -14.885 -12.195
   48    H4*    C   5           H4*        C   5  -7.997 -14.296 -11.716
   49    H3*    C   5           H3*        C   5  -5.860 -14.025 -10.034
   50    H2*    C   5           H2*        C   5  -6.536 -15.097  -8.134
   51   2HO*    C   5          2HO*        C   5  -7.894 -12.779  -8.254
   52    H1*    C   5           H1*        C   5  -9.472 -15.115  -9.026
   53   1H4     C   5          H42         C   5  -9.213 -19.924  -4.745
   54   2H4     C   5          H41         C   5  -7.598 -20.290  -5.291
   55    H5     C   5           H5         C   5  -6.410 -19.117  -6.970
   56    H6     C   5           H6         C   5  -6.502 -17.302  -8.580
   57   1H5*    C   6          H5*         C   6  -6.471 -11.959  -6.743
   58   2H5*    C   6          H5**        C   6  -5.424 -10.579  -6.985
   59    H4*    C   6           H4*        C   6  -5.008 -12.256  -5.078
   60    H3*    C   6           H3*        C   6  -3.380 -10.293  -5.646
   61    H2*    C   6           H2*        C   6  -2.621 -11.517  -7.742
   62   2HO*    C   6          2HO*        C   6  -0.380 -12.338  -6.909
   63    H1*    C   6           H1*        C   6  -1.964 -13.767  -5.752
   64   1H4     C   6          H41         C   6  -0.143 -16.269 -11.380
   65   2H4     C   6          H42         C   6  -1.845 -16.254 -11.872
   66    H5     C   6           H5         C   6  -3.592 -15.235 -10.576
   67    H6     C   6           H6         C   6  -4.035 -14.046  -8.470
   68   1H5*    G   7          H5*         G   7   0.148 -12.190  -3.998
   69   2H5*    G   7          H5**        G   7   0.592 -11.217  -2.586
   70    H4*    G   7           H4*        G   7   2.452 -11.268  -4.052
   71    H3*    G   7           H3*        G   7   1.111  -8.601  -3.858
   72    H2*    G   7           H2*        G   7   2.541  -7.725  -5.510
   73   2HO*    G   7          2HO*        G   7   4.585  -8.372  -5.359
   74    H1*    G   7           H1*        G   7   2.692 -10.024  -7.118
   75    H8     G   7           H8         G   7  -0.917  -9.274  -6.198
   76    H1     G   7           H1         G   7   1.283  -6.097 -11.319
   77   1H2     G   7          H22         G   7   3.416  -6.334 -11.520
   78   2H2     G   7          H21         G   7   4.353  -7.278 -10.373
   79   1H5*    C   8          H5*         C   8   5.480  -8.641  -3.228
   80   2H5*    C   8          H5**        C   8   6.008  -7.314  -2.186
   81    H4*    C   8           H4*        C   8   7.173  -7.410  -4.371
   82    H3*    C   8           H3*        C   8   5.703  -4.888  -3.631
   83    H2*    C   8           H2*        C   8   6.350  -3.972  -5.730
   84   2HO*    C   8          2HO*        C   8   8.545  -5.240  -5.296
   85    H1*    C   8           H1*        C   8   6.263  -6.423  -7.182
   86   1H4     C   8          H41         C   8   1.358  -3.459  -9.486
   87   2H4     C   8          H42         C   8   0.312  -3.564  -8.118
   88    H5     C   8           H5         C   8   1.292  -4.756  -5.993
   89    H6     C   8           H6         C   8   3.356  -5.699  -5.089
   90   1H5*    C   9          H5*         C   9   9.861  -4.015  -5.059
   91   2H5*    C   9          H5**        C   9  10.434  -2.742  -3.975
   92    H4*    C   9           H4*        C   9  10.516  -2.316  -6.483
   93    H3*    C   9           H3*        C   9   9.544  -0.326  -4.458
   94    H2*    C   9           H2*        C   9   9.059   1.182  -6.249
   95   2HO*    C   9          2HO*        C   9  11.151   0.109  -7.305
   96    H1*    C   9           H1*        C   9   8.042  -0.729  -8.043
   97   1H4     C   9          H42         C   9   2.613   1.617  -5.386
   98   2H4     C   9          H41         C   9   2.852   0.423  -4.151
   99    H5     C   9           H5         C   9   4.711  -0.979  -3.890
  100    H6     C   9           H6         C   9   6.853  -1.606  -4.779
  101   1H5*    A  10          H5*         A  10  12.977   1.477  -6.413
  102   2H5*    A  10          H5**        A  10  13.958   2.405  -5.263
  103    H4*    A  10           H4*        A  10  13.095   3.815  -7.063
  104    H3*    A  10           H3*        A  10  12.193   4.438  -4.273
  105    H2*    A  10           H2*        A  10  10.745   6.084  -5.082
  106   2HO*    A  10          2HO*        A  10  11.877   7.363  -6.452
  107    H1*    A  10           H1*        A  10  10.258   4.862  -7.631
  108    H8     A  10           H8         A  10   9.340   2.844  -4.495
  109   1H6     A  10          H61         A  10   3.677   5.256  -5.652
  110   2H6     A  10          H62         A  10   4.301   4.141  -4.561
  111    H2     A  10           H2         A  10   6.447   7.151  -8.279
  112   1H5*    C  11          H5*         C  11  14.096   7.629  -6.421
  113   2H5*    C  11          H5**        C  11  15.117   8.757  -5.512
  114    H4*    C  11           H4*        C  11  13.328   9.830  -6.888
  115    H3*    C  11           H3*        C  11  13.686  10.454  -4.002
  116    H2*    C  11           H2*        C  11  11.573  11.465  -3.798
  117   2HO*    C  11          2HO*        C  11  12.321  12.546  -6.008
  118    H1*    C  11           H1*        C  11  10.255  10.180  -5.972
  119   1H4     C  11          H42         C  11   6.871   7.969  -1.018
  120   2H4     C  11          H41         C  11   8.144   6.815  -0.739
  121    H5     C  11           H5         C  11  10.221   6.743  -1.898
  122    H6     C  11           H6         C  11  11.571   7.792  -3.610
  123   1H5*    U  12          H5*         U  12  12.739  14.427  -5.692
  124   2H5*    U  12          H5**        U  12  14.093  15.435  -5.165
  125    H4*    U  12           H4*        U  12  11.810  16.306  -4.628
  126    H3*    U  12           H3*        U  12  13.983  16.100  -2.600
  127    H2*    U  12           H2*        U  12  12.562  16.668  -0.870
  128   2HO*    U  12          2HO*        U  12  11.176  18.226  -1.195
  129    H1*    U  12           H1*        U  12  10.174  15.455  -1.843
  130    H3     U  12           H3         U  12  11.577  13.870   2.335
  131    H5     U  12           H5         U  12  13.021  11.262  -0.638
  132    H6     U  12           H6         U  12  12.407  12.882  -2.253
  133   1H5*    G  13          H5*         G  13  12.155  19.954  -2.689
  134   2H5*    G  13          H5**        G  13  13.078  21.273  -1.979
  135    H4*    G  13           H4*        G  13  10.838  20.317  -0.976
  136    H3*    G  13           H3*        G  13  12.614  22.148   0.025
  137    H2*    G  13           H2*        G  13  13.654  20.909   1.657
  138   2HO*    G  13          2HO*        G  13  12.292  20.584   3.580
  139    H1*    G  13           H1*        G  13  11.422  18.908   2.090
  140    H8     G  13           H8         G  13  14.449  18.015   0.079
  141    H1     G  13           H1         G  13  15.148  16.686   6.296
  142   1H2     G  13          H21         G  13  13.797  17.423   7.391
  143   2H2     G  13          H22         G  13  12.428  18.333   7.021
  144   1H5*    C  14          H5*         C  14   8.897  22.953   2.739
  145   2H5*    C  14          H5**        C  14   8.816  24.717   2.792
  146    H4*    C  14           H4*        C  14   8.923  23.929   5.006
  147    H3*    C  14           H3*        C  14  11.555  25.196   4.284
  148    H2*    C  14           H2*        C  14  12.206  24.759   6.525
  149   2HO*    C  14          2HO*        C  14  10.653  25.133   7.969
  150    H1*    C  14           H1*        C  14  10.708  22.322   6.699
  151   1H4     C  14          H41         C  14  16.394  20.027   6.925
  152   2H4     C  14          H42         C  14  17.088  20.667   5.531
  153    H5     C  14           H5         C  14  15.463  22.200   4.055
  154    H6     C  14           H6         C  14  13.215  23.183   4.055
  155   1H5*    A  15          H5*         A  15   9.139  26.769   7.878
  156   2H5*    A  15          H5**        A  15   9.639  28.449   8.143
  157    H4*    A  15           H4*        A  15   9.689  26.965  10.169
  158    H3*    A  15           H3*        A  15  12.131  28.539   9.359
  159    H2*    A  15           H2*        A  15  13.247  27.637  11.255
  160   2HO*    A  15          2HO*        A  15  11.049  27.833  12.467
  161    H1*    A  15           H1*        A  15  12.148  25.061  11.066
  162    H8     A  15           H8         A  15  13.481  26.639   7.814
  163   1H6     A  15          H62         A  15  18.685  23.456   9.168
  164   2H6     A  15          H61         A  15  17.907  24.447   7.950
  165    H2     A  15           H2         A  15  15.881  23.060  12.567
  166   1H5*    G  16          H5*         G  16  12.005  29.589  13.388
  167   2H5*    G  16          H5**        G  16  12.177  31.356  13.395
  168    H4*    G  16           H4*        G  16  13.964  30.456  14.647
  169    H3*    G  16           H3*        G  16  14.992  31.324  11.922
  170    H2*    G  16           H2*        G  16  17.166  31.043  12.981
  171   2HO*    G  16          2HO*        G  16  17.124  30.061  15.206
  172    H1*    G  16           H1*        G  16  16.432  28.426  13.703
  173    H8     G  16           H8         G  16  14.773  29.868  10.531
  174    H1     G  16           H1         G  16  19.957  26.242   9.500
  175   1H2     G  16          H22         G  16  20.893  25.712  11.342
  176   2H2     G  16          H21         G  16  20.257  26.238  12.890
  177   1H5*    A  17          H5*         A  17  17.110  34.139  10.654
  178   2H5*    A  17          H5**        A  17  17.307  32.773  11.768
  179    H4*    A  17           H4*        A  17  18.822  35.309  11.554
  180    H3*    A  17           H3*        A  17  19.615  32.474  12.281
  181    H2*    A  17           H2*        A  17  21.338  33.379  13.666
  182   2HO*    A  17          2HO*        A  17  21.552  35.108  11.758
  183    H1*    A  17           H1*        A  17  19.925  35.695  14.475
  184    H8     A  17           H8         A  17  17.751  32.695  14.948
  185   1H6     A  17          H62         A  17  20.040  32.478  20.724
  186   2H6     A  17          H61         A  17  18.809  31.818  19.649
  187    H2     A  17           H2         A  17  22.424  35.397  18.420
  188   1H5*    G  18          H5*         G  18  23.256  30.330  11.697
  189   2H5*    G  18          H5**        G  18  21.534  30.336  12.108
  190    H4*    G  18           H4*        G  18  23.623  31.598  13.874
  191    H3*    G  18           H3*        G  18  22.661  28.737  13.869
  192    H2*    G  18           H2*        G  18  22.741  28.804  16.257
  193   2HO*    G  18          2HO*        G  18  24.799  30.349  15.856
  194    H1*    G  18           H1*        G  18  21.866  31.484  16.468
  195    H8     G  18           H8         G  18  19.330  30.205  14.286
  196    H1     G  18           H1         G  18  18.725  27.754  20.189
  197   1H2     G  18          H21         G  18  20.572  28.091  21.336
  198   2H2     G  18          H22         G  18  21.936  28.930  20.618
  199   1H5*    A  19          H5*         A  19  24.957  28.076  16.791
  200   2H5*    A  19          H5**        A  19  25.952  26.669  16.395
  201    H4*    A  19           H4*        A  19  24.728  26.036  18.259
  202    H3*    A  19           H3*        A  19  23.421  24.839  15.794
  203    H2*    A  19           H2*        A  19  22.077  23.620  17.376
  204   2HO*    A  19          2HO*        A  19  24.079  23.743  18.968
  205    H1*    A  19           H1*        A  19  21.418  25.914  18.804
  206    H8     A  19           H8         A  19  22.010  26.545  15.121
  207   1H6     A  19          H62         A  19  15.950  25.573  14.291
  208   2H6     A  19          H61         A  19  17.436  26.118  13.513
  209    H2     A  19           H2         A  19  16.937  24.520  18.483
  210   1H5*    U  20          H5*         U  20  23.664  21.855  17.442
  211   2H5*    U  20          H5**        U  20  24.208  20.420  16.558
  212    H4*    U  20           H4*        U  20  21.761  20.463  17.142
  213    H3*    U  20           H3*        U  20  22.538  20.232  14.227
  214    H2*    U  20           H2*        U  20  20.222  19.772  13.866
  215   2HO*    U  20          2HO*        U  20  19.014  18.989  15.446
  216    H1*    U  20           H1*        U  20  19.402  21.934  15.441
  217    H3     U  20           H3         U  20  18.536  22.713  11.042
  218    H5     U  20           H5         U  20  22.560  23.778  11.541
  219    H6     U  20           H6         U  20  22.453  22.833  13.752
  220   1H5*    G  21          H5*         G  21  20.547  16.786  15.997
  221   2H5*    G  21          H5**        G  21  20.323  15.407  14.936
  222    H4*    G  21           H4*        G  21  18.379  16.910  15.927
  223    H3*    G  21           H3*        G  21  18.238  14.734  14.338
  224    H2*    G  21           H2*        G  21  18.144  15.853  12.213
  225   2HO*    G  21          2HO*        G  21  15.630  15.624  13.374
  226    H1*    G  21           H1*        G  21  16.576  18.167  13.398
  227    H8     G  21           H8         G  21  20.051  17.921  11.734
  228    H1     G  21           H1         G  21  15.515  20.983   8.365
  229   1H2     G  21          H22         G  21  13.608  20.838   9.359
  230   2H2     G  21          H21         G  21  13.462  19.992  10.890
  231   1H5*    C  22          H5*         C  22  13.795  15.951  15.046
  232   2H5*    C  22          H5**        C  22  12.975  14.436  15.447
  233    H4*    C  22           H4*        C  22  11.757  15.549  13.738
  234    H3*    C  22           H3*        C  22  13.100  13.057  12.712
  235    H2*    C  22           H2*        C  22  12.013  13.503  10.638
  236   2HO*    C  22          2HO*        C  22   9.953  14.144  11.025
  237    H1*    C  22           H1*        C  22  12.224  16.339  10.897
  238   1H4     C  22          H42         C  22  16.591  15.365   6.351
  239   2H4     C  22          H41         C  22  17.473  14.318   7.433
  240    H5     C  22           H5         C  22  16.789  13.709   9.604
  241    H6     C  22           H6         C  22  15.076  13.975  11.304
  242   1H5*    A  23          H5*         A  23   8.689  13.732  12.659
  243   2H5*    A  23          H5**        A  23   7.837  12.192  12.794
  244    H4*    A  23           H4*        A  23   6.946  13.768  11.108
  245    H3*    A  23           H3*        A  23   6.891  11.056  10.967
  246    H2*    A  23           H2*        A  23   8.775  10.879   9.476
  247   2HO*    A  23          2HO*        A  23   6.305  10.946   8.257
  248    H1*    A  23           H1*        A  23   7.715  13.426   8.083
  249    H8     A  23           H8         A  23  11.071  11.918   9.312
  250   1H6     A  23          H62         A  23  13.140  13.083   3.587
  251   2H6     A  23          H61         A  23  13.571  12.492   5.191
  252    H2     A  23           H2         A  23   8.875  14.279   3.743
  253   1H5*    A  24          H5*         A  24   5.139   8.971   7.649
  254   2H5*    A  24          H5**        A  24   3.978  10.309   7.659
  255    H4*    A  24           H4*        A  24   2.843   8.630   9.445
  256    H3*    A  24           H3*        A  24   4.053   6.764   7.380
  257    H2*    A  24           H2*        A  24   2.162   5.405   7.906
  258   2HO*    A  24          2HO*        A  24   2.153   6.126  10.213
  259    H1*    A  24           H1*        A  24   0.439   7.638   7.787
  260    H8     A  24           H8         A  24   1.801   8.713   4.887
  261   1H6     A  24          H61         A  24  -0.036   3.675   1.736
  262   2H6     A  24          H62         A  24   0.527   5.335   1.535
  263    H2     A  24           H2         A  24  -0.212   2.717   6.015
  264   1H5*    U  25          H5*         U  25   4.894   2.348   8.363
  265   2H5*    U  25          H5**        U  25   3.335   2.858   7.773
  266    H4*    U  25           H4*        U  25   4.315   3.022  10.592
  267    H3*    U  25           H3*        U  25   2.092   1.515   9.231
  268    H2*    U  25           H2*        U  25   0.967   1.512  11.301
  269   2HO*    U  25          2HO*        U  25   3.283   1.284  12.364
  270    H1*    U  25           H1*        U  25   1.817   4.144  11.967
  271    H3     U  25           H3         U  25  -2.743   4.381  11.934
  272    H5     U  25           H5         U  25  -1.584   4.729   7.926
  273    H6     U  25           H6         U  25   0.635   4.121   8.603
  274   1H5*    C  26          H5*         C  26   2.946  -1.222  12.210
  275   2H5*    C  26          H5**        C  26   2.685  -2.855  11.580
  276    H4*    C  26           H4*        C  26   1.101  -2.232  13.376
  277    H3*    C  26           H3*        C  26  -0.076  -2.905  10.678
  278    H2*    C  26           H2*        C  26  -2.231  -2.521  11.648
  279   2HO*    C  26          2HO*        C  26  -1.128  -3.478  13.789
  280    H1*    C  26           H1*        C  26  -1.422  -0.351  13.270
  281   1H4     C  26          H41         C  26  -4.431   2.642   8.749
  282   2H4     C  26          H42         C  26  -3.396   2.283   7.449
  283    H5     C  26           H5         C  26  -1.289   0.828   7.993
  284    H6     C  26           H6         C  26  -0.237  -0.467   9.771
  285   1H5*    C  27          H5*         C  27  -1.967  -5.090  13.928
  286   2H5*    C  27          H5**        C  27  -2.335  -6.716  13.364
  287    H4*    C  27           H4*        C  27  -4.194  -5.258  14.416
  288    H3*    C  27           H3*        C  27  -4.537  -7.072  12.041
  289    H2*    C  27           H2*        C  27  -6.829  -6.435  12.011
  290   2HO*    C  27          2HO*        C  27  -6.618  -6.352  14.552
  291    H1*    C  27           H1*        C  27  -6.380  -3.700  12.576
  292   1H4     C  27          H41         C  27  -7.470  -4.210   6.402
  293   2H4     C  27          H42         C  27  -5.854  -4.059   5.921
  294    H5     C  27           H5         C  27  -4.037  -4.230   7.865
  295    H6     C  27           H6         C  27  -3.816  -4.370  10.292
  296   1H5*    A  28          H5*         A  28  -7.566  -8.450  13.858
  297   2H5*    A  28          H5**        A  28  -7.415 -10.205  14.034
  298    H4*    A  28           H4*        A  28  -9.332  -9.938  12.793
  299    H3*    A  28           H3*        A  28  -7.161 -10.469  10.759
  300    H2*    A  28           H2*        A  28  -8.969 -10.702   9.237
  301   2HO*    A  28          2HO*        A  28 -10.832 -11.459  10.042
  302    H1*    A  28           H1*        A  28 -10.262  -8.406  10.245
  303    H8     A  28           H8         A  28  -6.443  -8.705   9.549
  304   1H6     A  28          H62         A  28  -7.882  -5.947   4.166
  305   2H6     A  28          H61         A  28  -6.555  -6.550   5.159
  306    H2     A  28           H2         A  28 -11.640  -6.649   6.394
  307   1H5*    G  29          H5*         G  29 -10.211 -13.494  11.432
  308   2H5*    G  29          H5**        G  29  -9.899 -15.082  10.740
  309    H4*    G  29           H4*        G  29 -12.064 -13.730  10.223
  310    H3*    G  29           H3*        G  29 -11.344 -16.022   9.100
  311    H2*    G  29           H2*        G  29  -9.722 -14.803   7.651
  312   2HO*    G  29          2HO*        G  29 -12.163 -15.620   6.388
  313    H1*    G  29           H1*        G  29 -12.217 -13.100   7.059
  314    H8     G  29           H8         G  29  -8.387 -12.640   7.348
  315    H1     G  29           H1         G  29 -11.115 -10.048   2.157
  316   1H2     G  29          H22         G  29 -13.244 -10.513   2.126
  317   2H2     G  29          H21         G  29 -14.006 -11.473   3.394
  318   1H5*    U  30          H5*         U  30 -14.019 -14.019   6.039
  319   2H5*    U  30          H5**        U  30 -15.487 -14.995   6.141
  320    H4*    U  30           H4*        U  30 -15.427 -14.577   3.945
  321    H3*    U  30           H3*        U  30 -13.867 -17.157   4.075
  322    H2*    U  30           H2*        U  30 -14.005 -17.076   1.704
  323   2HO*    U  30          2HO*        U  30 -15.713 -16.143   0.810
  324    H1*    U  30           H1*        U  30 -13.484 -14.298   1.641
  325    H3     U  30           H3         U  30 -10.026 -16.295  -0.539
  326    H5     U  30           H5         U  30  -9.148 -16.791   3.527
  327    H6     U  30           H6         U  30 -11.357 -15.965   4.009
  328   1H5*    G  31          H5*         G  31 -17.487 -16.989   1.878
  329   2H5*    G  31          H5**        G  31 -18.313 -18.544   1.714
  330    H4*    G  31           H4*        G  31 -18.053 -17.456  -0.429
  331    H3*    G  31           H3*        G  31 -16.508 -20.031  -0.101
  332    H2*    G  31           H2*        G  31 -16.074 -19.838  -2.433
  333   2HO*    G  31          2HO*        G  31 -17.776 -19.058  -3.510
  334    H1*    G  31           H1*        G  31 -15.578 -17.066  -2.328
  335    H8     G  31           H8         G  31 -14.023 -19.323   0.397
  336    H1     G  31           H1         G  31 -10.456 -18.473  -4.858
  337   1H2     G  31          H21         G  31 -11.284 -17.550  -6.208
  338   2H2     G  31          H22         G  31 -12.794 -16.836  -6.345
  339   1H5*    G  32          H5*         G  32 -19.829 -20.038  -2.829
  340   2H5*    G  32          H5**        G  32 -20.378 -21.598  -3.444
  341    H4*    G  32           H4*        G  32 -19.388 -19.789  -5.042
  342    H3*    G  32           H3*        G  32 -18.824 -22.744  -5.312
  343    H2*    G  32           H2*        G  32 -17.576 -22.127  -7.278
  344   2HO*    G  32          2HO*        G  32 -19.339 -20.201  -7.433
  345    H1*    G  32           H1*        G  32 -16.390 -19.873  -6.118
  346    H8     G  32           H8         G  32 -16.452 -22.863  -3.776
  347    H1     G  32           H1         G  32 -11.475 -22.513  -7.794
  348   1H2     G  32          H21         G  32 -11.627 -21.225  -9.060
  349   2H2     G  32          H22         G  32 -12.802 -20.066  -9.370
  350   1H5*    U  33          H5*         U  33 -20.937 -21.198  -8.878
  351   2H5*    U  33          H5**        U  33 -21.938 -22.458  -9.621
  352    H4*    U  33           H4*        U  33 -20.331 -21.483 -11.208
  353    H3*    U  33           H3*        U  33 -20.034 -24.411 -10.578
  354    H2*    U  33           H2*        U  33 -18.215 -24.485 -12.091
  355   2HO*    U  33          2HO*        U  33 -18.458 -23.285 -13.854
  356    H1*    U  33           H1*        U  33 -17.140 -21.984 -11.364
  357    H3     U  33           H3         U  33 -13.948 -24.975 -10.275
  358    H5     U  33           H5         U  33 -16.791 -25.297  -7.174
  359    H6     U  33           H6         U  33 -18.231 -23.879  -8.478
  360   1H5*    C  34          H5*         C  34 -20.640 -23.204 -14.595
  361   2H5*    C  34          H5**        C  34 -21.496 -24.212 -15.775
  362    H4*    C  34           H4*        C  34 -19.265 -23.509 -16.565
  363    H3*    C  34           H3*        C  34 -19.825 -26.442 -16.282
  364    H2*    C  34           H2*        C  34 -17.599 -26.944 -16.841
  365   2HO*    C  34          2HO*        C  34 -17.034 -25.759 -18.564
  366    H1*    C  34           H1*        C  34 -16.375 -24.720 -15.589
  367   1H4     C  34          H42         C  34 -15.036 -29.583 -11.770
  368   2H4     C  34          H41         C  34 -16.586 -29.408 -10.957
  369    H5     C  34           H5         C  34 -18.283 -27.869 -11.720
  370    H6     C  34           H6         C  34 -18.826 -26.207 -13.397
  371   1H5*    C  35          H5*         C  35 -18.693 -25.312 -20.420
  372   2H5*    C  35          H5**        C  35 -18.938 -26.587 -21.609
  373    H4*    C  35           H4*        C  35 -16.554 -25.707 -20.758
  374    H3*    C  35           H3*        C  35 -17.022 -27.453 -22.676
  375    H2*    C  35           H2*        C  35 -17.656 -29.246 -21.078
  376   2HO*    C  35          2HO*        C  35 -15.277 -30.364 -20.976
  377    H1*    C  35           H1*        C  35 -15.031 -28.495 -19.664
  378   1H4     C  35          H41         C  35 -16.718 -33.306 -16.122
  379   2H4     C  35          H42         C  35 -18.109 -32.672 -15.387
  380    H5     C  35           H5         C  35 -18.945 -30.311 -16.432
  381    H6     C  35           H6         C  35 -18.293 -28.608 -18.057
  382    H3T    C  35           H3T        C  35 -14.778 -28.004 -22.527
  383   1H5*    A  36          H5*         A  36 -11.650 -13.807  -8.500
  384   2H5*    A  36          H5**        A  36 -13.359 -13.503  -8.824
  385    H4*    A  36           H4*        A  36 -13.752 -12.584  -6.872
  386    H3*    A  36           H3*        A  36 -11.049 -11.279  -6.768
  387    H2*    A  36           H2*        A  36 -11.543 -10.910  -4.476
  388   2HO*    A  36          2HO*        A  36 -13.631 -10.481  -4.048
  389    H1*    A  36           H1*        A  36 -12.794 -13.449  -4.191
  390    H8     A  36           H8         A  36  -9.462 -14.010  -5.807
  391   1H6     A  36          H61         A  36  -7.156 -14.017  -0.016
  392   2H6     A  36          H62         A  36  -6.745 -14.382  -1.695
  393    H2     A  36           H2         A  36 -11.282 -12.566   0.182
  394    H5T    A  36           H5T        A  36 -12.362 -11.134  -8.728
  395   1H5*    C  37          H5*         C  37 -14.756  -9.227  -5.650
  396   2H5*    C  37          H5**        C  37 -14.661  -7.464  -5.782
  397    H4*    C  37           H4*        C  37 -15.596  -8.209  -3.636
  398    H3*    C  37           H3*        C  37 -13.013  -6.652  -3.528
  399    H2*    C  37           H2*        C  37 -13.176  -6.746  -1.189
  400   2HO*    C  37          2HO*        C  37 -15.229  -6.359  -0.550
  401    H1*    C  37           H1*        C  37 -14.265  -9.390  -1.112
  402   1H4     C  37          H42         C  37  -8.399 -10.084   0.967
  403   2H4     C  37          H41         C  37  -7.691  -9.900  -0.643
  404    H5     C  37           H5         C  37  -9.081  -9.338  -2.573
  405    H6     C  37           H6         C  37 -11.363  -8.871  -3.302
  406   1H5*    U  38          H5*         U  38 -16.467  -4.781  -1.435
  407   2H5*    U  38          H5**        U  38 -16.229  -3.033  -1.388
  408    H4*    U  38           H4*        U  38 -16.702  -4.120   0.796
  409    H3*    U  38           H3*        U  38 -14.185  -2.444   0.615
  410    H2*    U  38           H2*        U  38 -14.059  -2.806   2.994
  411   2HO*    U  38          2HO*        U  38 -16.602  -2.752   2.950
  412    H1*    U  38           H1*        U  38 -14.836  -5.522   2.818
  413    H3     U  38           H3         U  38 -10.517  -5.539   4.389
  414    H5     U  38           H5         U  38 -10.182  -5.174   0.238
  415    H6     U  38           H6         U  38 -12.559  -4.828   0.134
  416   1H5*    G  39          H5*         G  39 -16.604  -0.889   3.715
  417   2H5*    G  39          H5**        G  39 -16.469   0.870   3.753
  418    H4*    G  39           H4*        G  39 -15.933  -0.162   5.889
  419    H3*    G  39           H3*        G  39 -13.655   1.365   4.617
  420    H2*    G  39           H2*        G  39 -12.519   0.992   6.703
  421   2HO*    G  39          2HO*        G  39 -14.846   1.156   7.768
  422    H1*    G  39           H1*        G  39 -13.438  -1.655   6.964
  423    H8     G  39           H8         G  39 -12.176  -0.736   3.491
  424    H1     G  39           H1         G  39  -7.719  -2.755   7.608
  425   1H2     G  39          H21         G  39  -8.361  -2.956   9.354
  426   2H2     G  39          H22         G  39  -9.867  -2.746  10.073
  427   1H5*    G  40          H5*         G  40 -14.830   2.737   8.611
  428   2H5*    G  40          H5**        G  40 -14.780   4.505   8.616
  429    H4*    G  40           H4*        G  40 -13.637   3.490  10.549
  430    H3*    G  40           H3*        G  40 -12.043   5.255   8.690
  431    H2*    G  40           H2*        G  40 -10.207   4.961  10.262
  432   2HO*    G  40          2HO*        G  40 -12.115   4.951  12.001
  433    H1*    G  40           H1*        G  40 -10.844   2.209  10.792
  434    H8     G  40           H8         G  40 -10.695   3.151   7.100
  435    H1     G  40           H1         G  40  -5.163   1.101   9.655
  436   1H2     G  40          H22         G  40  -5.330   0.955  11.834
  437   2H2     G  40          H21         G  40  -6.856   1.327  12.614
  438   1H5*    C  41          H5*         C  41  -9.715   7.186   9.122
  439   2H5*    C  41          H5**        C  41 -10.649   6.841  10.600
  440    H4*    C  41           H4*        C  41 -11.038   9.486  10.366
  441    H3*    C  41           H3*        C  41  -9.002   9.462   8.633
  442    H2*    C  41           H2*        C  41  -7.640   7.988  10.122
  443   2HO*    C  41          2HO*        C  41  -7.035  10.777  10.339
  444    H1*    C  41           H1*        C  41  -8.591  10.075  12.159
  445   1H4     C  41          H42         C  41  -5.244   7.181  16.588
  446   2H4     C  41          H41         C  41  -5.613   5.568  15.992
  447    H5     C  41           H5         C  41  -6.940   5.234  13.966
  448    H6     C  41           H6         C  41  -8.143   6.407  12.177
  449   1H5*    U  42          H5*         U  42  -7.417  11.493   6.375
  450   2H5*    U  42          H5**        U  42  -7.209  10.971   8.040
  451    H4*    U  42           H4*        U  42  -7.916  13.827   7.627
  452    H3*    U  42           H3*        U  42  -5.235  12.745   6.746
  453    H2*    U  42           H2*        U  42  -4.283  14.705   7.674
  454   2HO*    U  42          2HO*        U  42  -6.487  15.829   6.875
  455    H1*    U  42           H1*        U  42  -6.013  14.791   9.946
  456    H3     U  42           H3         U  42  -1.963  14.175  11.843
  457    H5     U  42           H5         U  42  -2.736  10.518   9.964
  458    H6     U  42           H6         U  42  -4.695  11.527   8.975
  459   1H5*    U  43          H5*         U  43  -3.442  15.265   5.309
  460   2H5*    U  43          H5**        U  43  -4.167  15.464   3.702
  461    H4*    U  43           H4*        U  43  -1.880  15.563   3.354
  462    H3*    U  43           H3*        U  43  -2.846  12.791   2.622
  463    H2*    U  43           H2*        U  43  -0.635  12.493   1.694
  464   2HO*    U  43          2HO*        U  43  -0.511  15.045   1.429
  465    H1*    U  43           H1*        U  43   0.502  13.098   4.116
  466    H3     U  43           H3         U  43  -0.257   8.526   3.352
  467    H5     U  43           H5         U  43  -3.332   9.903   5.829
  468    H6     U  43           H6         U  43  -2.592  12.144   5.399
  469   1H5*    G  44          H5*         G  44  -1.205  14.784  -0.787
  470   2H5*    G  44          H5**        G  44  -2.422  14.689  -2.063
  471    H4*    G  44           H4*        G  44  -0.631  14.231  -3.255
  472    H3*    G  44           H3*        G  44  -1.222  11.421  -2.318
  473    H2*    G  44           H2*        G  44   0.440  10.862  -3.984
  474   2HO*    G  44          2HO*        G  44   0.605  12.235  -5.659
  475    H1*    G  44           H1*        G  44   2.073  12.953  -3.097
  476    H8     G  44           H8         G  44   0.346  10.679  -0.482
  477    H1     G  44           H1         G  44   6.189   8.960  -2.520
  478   1H2     G  44          H21         G  44   6.832  10.058  -3.911
  479   2H2     G  44          H22         G  44   6.152  11.388  -4.691
  480   1H5*    U  45          H5*         U  45  -1.504  12.780  -6.300
  481   2H5*    U  45          H5**        U  45  -2.511  11.899  -7.460
  482    H4*    U  45           H4*        U  45  -0.277  12.483  -8.340
  483    H3*    U  45           H3*        U  45  -1.057   9.564  -8.181
  484    H2*    U  45           H2*        U  45   1.039   9.086  -9.203
  485   2HO*    U  45          2HO*        U  45   0.676  11.342 -10.438
  486    H1*    U  45           H1*        U  45   2.538  10.897  -7.757
  487    H3     U  45           H3         U  45   4.172   7.140  -5.882
  488    H5     U  45           H5         U  45   0.096   6.987  -4.929
  489    H6     U  45           H6         U  45  -0.218   8.974  -6.219
  490   1H5*    G  46          H5*         G  46  -0.691   9.736 -12.280
  491   2H5*    G  46          H5**        G  46  -1.660   8.429 -12.970
  492    H4*    G  46           H4*        G  46   0.927   8.228 -12.840
  493    H3*    G  46           H3*        G  46  -0.930   5.937 -12.185
  494    H2*    G  46           H2*        G  46   1.028   4.657 -11.766
  495   2HO*    G  46          2HO*        G  46   2.022   6.044 -13.731
  496    H1*    G  46           H1*        G  46   2.506   6.822 -10.596
  497    H8     G  46           H8         G  46  -0.807   6.631  -9.013
  498    H1     G  46           H1         G  46   3.425   2.277  -6.943
  499   1H2     G  46          H21         G  46   4.938   2.154  -8.010
  500   2H2     G  46          H22         G  46   5.395   2.961  -9.413
  501   1H5*    G  47          H5*         G  47   2.061   4.865 -15.423
  502   2H5*    G  47          H5**        G  47   1.131   3.891 -16.573
  503    H4*    G  47           H4*        G  47   3.272   2.850 -15.912
  504    H3*    G  47           H3*        G  47   0.745   1.341 -15.247
  505    H2*    G  47           H2*        G  47   2.129  -0.415 -14.502
  506   2HO*    G  47          2HO*        G  47   3.954  -0.743 -15.606
  507    H1*    G  47           H1*        G  47   4.018   1.290 -13.255
  508    H8     G  47           H8         G  47   0.372   2.121 -12.586
  509    H1     G  47           H1         G  47   2.889  -2.402  -8.795
  510   1H2     G  47          H22         G  47   4.864  -3.022  -9.532
  511   2H2     G  47          H21         G  47   5.544  -2.251 -10.952
  512   1H5*    C  48          H5*         C  48   3.572  -0.693 -17.826
  513   2H5*    C  48          H5**        C  48   2.782  -1.692 -19.061
  514    H4*    C  48           H4*        C  48   4.531  -2.924 -17.876
  515    H3*    C  48           H3*        C  48   1.707  -3.928 -17.591
  516    H2*    C  48           H2*        C  48   2.536  -5.688 -16.220
  517   2HO*    C  48          2HO*        C  48   4.438  -6.374 -17.130
  518    H1*    C  48           H1*        C  48   4.393  -4.120 -14.813
  519   1H4     C  48          H42         C  48  -0.489  -4.348 -10.805
  520   2H4     C  48          H41         C  48  -1.368  -3.133 -11.723
  521    H5     C  48           H5         C  48  -0.567  -2.279 -13.829
  522    H6     C  48           H6         C  48   1.234  -2.408 -15.454
  523   1H5*    G  49          H5*         G  49   5.076  -6.069 -19.474
  524   2H5*    G  49          H5**        G  49   4.774  -7.526 -20.416
  525    H4*    G  49           H4*        G  49   6.453  -7.327 -18.300
  526    H3*    G  49           H3*        G  49   6.200  -9.339 -19.982
  527    H2*    G  49           H2*        G  49   3.946  -9.948 -19.111
  528   2HO*    G  49          2HO*        G  49   4.633 -11.853 -17.567
  529    H1*    G  49           H1*        G  49   5.352  -9.862 -16.372
  530    H8     G  49           H8         G  49   2.197  -7.959 -16.786
  531    H1     G  49           H1         G  49   1.244 -13.899 -14.561
  532   1H2     G  49          H21         G  49   3.061 -15.086 -14.793
  533   2H2     G  49          H22         G  49   4.519 -14.414 -15.503
  534    H3T    G  49           H3T        G  49   7.164 -10.672 -18.256