*HEADER    RNA                                     02-DEC-05   2F88              
*TITLE     SOLUTION NMR STRUCTURE OF DOMAIN 5 FROM THE PYAIELLA                  
*TITLE    2 LITTORALIS (PL) GROUP II INTRON                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: D5-PL RNA RIBOZYME DOMAIN;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: DOMAIN 5 OF PL GROUP II INTRON                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RNA WAS SYNTHESIZED BY IN VITRO                       
*SOURCE   4 TRANSCRIPTION WITH T7 RNA POLYMERASE'                                
*KEYWDS    RNA HAIRPIN, GNRA TETRALOOP, INTERNAL BULGE, MG METAL                 
*KEYWDS   2 BINDING SITE                                                         
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    K.T.DAYIE                                                             
*REVDAT   1   28-FEB-06 2F88    0                                                

!NOE Restraints 
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assign (resid 18 and name H2' ) (resid 19 and name H8 ) 2.4 0.6 0.6
assign (resid 18 and name H3' ) (resid 19 and name H8 ) 3.0 1.2 1.0
assign (resid 19 and name H2' ) (resid 19 and name H8 ) 4.0 2.2 1.0
assign (resid 19 and name H4' ) (resid 19 and name H8 ) 4.0 2.2 1.0
assign (resid 19 and name H2' ) (resid 20 and name H6 ) 2.4 0.6 0.6
assign (resid 19 and name H3' ) (resid 20 and name H6 ) 3.0 1.2 1.0
assign (resid 20 and name H6 ) (resid 20 and name H2' ) 4.0 2.2 1.0
assign (resid 20 and name H6 ) (resid 20 and name H4' ) 4.0 1.2 1.0
assign (resid 20 and name H2' ) (resid 21 and name H6 ) 2.4 0.6 0.6
assign (resid 21 and name H2' ) (resid 21 and name H6 ) 4.0 2.2 1.0
assign (resid 21 and name H3' ) (resid 21 and name H6 ) 3.1 1.3 0.9
assign (resid 21 and name H2' ) (resid 22 and name H8 ) 2.4 0.6 0.6
assign (resid 21 and name H3' ) (resid 22 and name H8 ) 3.0 1.2 1.0
assign (resid 22 and name H5'' ) (resid 22 and name H8 ) 4.5 2.7 1.0
assign (resid 22 and name H2' ) (resid 22 and name H8 ) 4.0 2.2 1.0
assign (resid 22 and name H3' ) (resid 22 and name H8 ) 3.0 1.2 1.0
assign (resid 22 and name H2' ) (resid 23 and name H6 ) 2.4 0.6 0.6
assign (resid 22 and name H3' ) (resid 23 and name H6 ) 3.0 1.2 1.0
assign (resid 23 and name H2' ) (resid 23 and name H6 ) 4.0 2.2 1.0
assign (resid 23 and name H3' ) (resid 23 and name H6 ) 3.0 1.2 1.0
assign (resid 23 and name H4' ) (resid 23 and name H6 ) 4.0 2.2 1.0
assign (resid 23 and name H5'' ) (resid 23 and name H6 ) 3.5 1.7 1.0
assign (resid 23 and name H2' ) (resid 24 and name H8 ) 2.4 0.6 0.6
assign (resid 23 and name H3' ) (resid 24 and name H8 ) 3.5 1.7 1.0
assign (resid 24 and name H3' ) (resid 24 and name H8 ) 4.0 2.2 1.0
assign (resid 24 and name H5'' ) (resid 24 and name H8 ) 4.5 2.7 1.0
assign (resid 24 and name H2' ) (resid 25 and name H8 ) 3.5 1.7 1.0 
assign (resid 24 and name H3' ) (resid 25 and name H8 ) 4.0 2.2 1.0
assign (resid 25 and name H2' ) (resid 25 and name H8 ) 4.0 2.2 1.0
assign (resid 25 and name H3' ) (resid 25 and name H8 ) 3.0 1.2 1.0
assign (resid 25 and name H4' ) (resid 25 and name H8 ) 4.0 2.2 1.0
assign (resid 25 and name H5'' ) (resid 25 and name H8 ) 4.5 2.7 1.0
assign (resid 25 and name H3' ) (resid 26 and name H8 ) 3.5 1.7 1.0 
assign (resid 26 and name H2' ) (resid 26 and name H8 ) 4.0 2.2 1.0
assign (resid 26 and name H3' ) (resid 26 and name H8 ) 4.0 2.2 1.0
assign (resid 26 and name H2' ) (resid 27 and name H6 ) 2.4 0.6 0.6
assign (resid 26 and name H3' ) (resid 27 and name H6 ) 3.0 1.2 1.0  
assign (resid 27 and name H3' ) (resid 27 and name H6 ) 4.0 2.2 1.0
assign (resid 27 and name H2' ) (resid 28 and name H8 ) 2.4 0.6 0.6
assign (resid 27 and name H3' ) (resid 28 and name H8 ) 3.0 1.2 1.0
assign (resid 28 and name H2' ) (resid 28 and name H8 ) 4.0 2.2 1.0
assign (resid 28 and name H3' ) (resid 28 and name H8 ) 3.0 1.2 1.0
assign (resid 28 and name H4' ) (resid 28 and name H8 ) 4.5 2.7 1.0
assign (resid 28 and name H5'' ) (resid 28 and name H8 ) 4.5 2.7 1.0
assign (resid 28 and name H2' ) (resid 29 and name H6 ) 2.4 0.6 0.6
assign (resid 28 and name H3' ) (resid 29 and name H6 ) 3.0 1.2 1.0
assign (resid 29 and name H2' ) (resid 29 and name H6 ) 4.0 2.2 1.0
assign (resid 29 and name H3' ) (resid 29 and name H6 ) 3.0 1.2 1.0
assign (resid 29 and name H4' ) (resid 29 and name H6 ) 4.0 2.2 1.0
assign (resid 29 and name H5'' ) (resid 29 and name H6 ) 4.5 2.7 1.0
assign (resid 29 and name H2' ) (resid 30 and name H8 ) 2.4 0.6 0.6
assign (resid 29 and name H3' ) (resid 30 and name H8 ) 3.0 1.2 1.0
assign (resid 30 and name H2' ) (resid 30 and name H8 ) 4.0 2.2 1.0
assign (resid 30 and name H3' ) (resid 30 and name H8 ) 3.0 1.2 1.0
assign (resid 30 and name H5'' ) (resid 30 and name H8 ) 4.5 2.7 1.0
assign (resid 30 and name H2' ) (resid 31 and name H8 ) 2.4 0.6 0.6
assign (resid 30 and name H3' ) (resid 31 and name H8 ) 3.0 1.2 1.0
assign (resid 31 and name H2' ) (resid 31 and name H8 ) 4.0 2.2 1.0
assign (resid 31 and name H3' ) (resid 31 and name H8 ) 3.0 1.2 1.0
assign (resid 31 and name H4' ) (resid 31 and name H8 ) 4.0 2.2 1.0
assign (resid 31 and name H5'' ) (resid 31 and name H8 ) 4.5 2.7 1.0
assign (resid 31 and name H2' ) (resid 32 and name H6 ) 2.4 0.6 0.6
assign (resid 31 and name H3' ) (resid 32 and name H6 ) 3.0 1.2 1.0
assign (resid 32 and name H2' ) (resid 32 and name H6 ) 4.0 2.2 1.0
assign (resid 32 and name H2' ) (resid 33 and name H6 ) 2.4 0.6 0.6
assign (resid 33 and name H6 ) (resid 33 and name H2' ) 4.0 2.2 1.0
assign (resid 33 and name H6 ) (resid 33 and name H3' ) 3.0 1.2 1.0
assign (resid 33 and name H6 ) (resid 33 and name H4' ) 4.0 2.2 1.0
assign (resid 33 and name H2' ) (resid 34 and name H6 ) 2.4 0.6 0.6
assign (resid 33 and name H3' ) (resid 34 and name H6 ) 3.0 1.2 1.0
assign (resid 34 and name H2' ) (resid 34 and name H6 ) 4.0 1.0 2.0
assign (resid 34 and name H3' ) (resid 34 and name H6 ) 3.0 1.2 1.0
assign (resid 34 and name H4' ) (resid 34 and name H6 ) 4.0 2.2 1.0
assign (resid 34 and name H5'' ) (resid 34 and name H6 ) 4.5 2.7 1.0
assign (resid 15 and name N2 ) (resid 18 and name N7 ) 2.9 1.1 1.0
assign (resid 15 and name N3 ) (resid 18 and name N6 ) 3.4 1.6 1.0
assign (resid 15 and name O2' ) (resid 18 and name N6 ) 2.9 1.1 1.0
assign (resid 15 and name O2' ) (resid 17 and name N7 ) 2.9 1.1 1.0
assign (resid 15 and name O2' ) (resid 17 and name N6 ) 3.9 2.0 1.0
assign (resid 15 and name H1' ) (resid 15 and name H2' ) 2.4 0.6 0.6
assign (resid 15 and name H1' ) (resid 15 and name H3' ) 3.5 1.7 1.0
assign (resid 15 and name H1' ) (resid 15 and name H4' ) 3.5 1.7 1.0
assign (resid 15 and name H2' ) (resid 15 and name H3' ) 2.4 0.6 0.6
assign (resid 15 and name H3' ) (resid 15 and name H4' ) 2.4 0.6 0.6
assign (resid 15 and name H4' ) (resid 15 and name H5' ) 2.4 0.6 0.6
assign (resid 15 and name H4' ) (resid 15 and name H5'' ) 2.4 0.6 0.6
assign (resid 15 and name H1' ) (resid 15 and name H8 ) 4.0 2.2 1.0
assign (resid 15 and name H2' ) (resid 15 and name H8 ) 4.0 2.2 1.0
assign (resid 15 and name H3' ) (resid 15 and name H8 ) 2.4 0.6 0.6
assign (resid 15 and name H4' ) (resid 15 and name H8 ) 4.0 2.2 1.0
assign (resid 15 and name H2' ) (resid 16 and name H8 ) 4.0 2.2 1.0
assign (resid 15 and name H1' ) (resid 17 and name H8 ) 4.0 2.2 1.0
assign (resid 15 and name H2' ) (resid 17 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H1' ) (resid 16 and name H2' ) 2.4 0.6 0.6
assign (resid 16 and name H1' ) (resid 16 and name H3' ) 3.5 1.7 1.0
assign (resid 16 and name H1' ) (resid 16 and name H4' ) 3.5 1.7 1.0
assign (resid 16 and name H2' ) (resid 16 and name H3' ) 2.4 0.6 0.6
assign (resid 16 and name H4' ) (resid 16 and name H5' ) 2.4 0.6 0.6
assign (resid 16 and name H4' ) (resid 16 and name H5'' ) 2.4 0.6 0.6
assign (resid 16 and name H1' ) (resid 16 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H2' ) (resid 16 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H3' ) (resid 16 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H4' ) (resid 16 and name H8 ) 4.0 2.2 1.0
assign (resid 16 and name H5' ) (resid 16 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H5'' ) (resid 16 and name H8 ) 3.0 1.2 1.0
assign (resid 16 and name H8 ) (resid 17 and name H8 ) 4.0 2.2 1.0
assign (resid 16 and name H1' ) (resid 17 and name H8 ) 4.0 2.2 1.0
assign (resid 16 and name H2' ) (resid 17 and name H8 ) 2.4 0.6 0.6
assign (resid 16 and name H3' ) (resid 17 and name H8 ) 2.4 0.6 0.6
assign (resid 17 and name H1' ) (resid 17 and name H2' ) 2.4 0.6 0.6
assign (resid 17 and name H1' ) (resid 17 and name H3' ) 3.5 1.7 1.0
assign (resid 17 and name H1' ) (resid 17 and name H4' ) 3.5 1.7 1.0
assign (resid 17 and name H2' ) (resid 17 and name H3' ) 2.4 0.6 0.6
assign (resid 17 and name H1' ) (resid 17 and name H8 ) 3.0 1.2 1.0
assign (resid 17 and name H2' ) (resid 17 and name H8 ) 4.0 2.2 1.0
assign (resid 17 and name H3' ) (resid 17 and name H8 ) 3.0 1.2 1.0
assign (resid 17 and name H5' ) (resid 17 and name H8 ) 4.0 2.2 1.0
assign (resid 17 and name H1' ) (resid 18 and name H8 ) 4.5 2.7 1.0
assign (resid 17 and name H2' ) (resid 18 and name H8 ) 2.4 0.6 0.6
assign (resid 17 and name H3' ) (resid 18 and name H8 ) 2.4 0.6 0.6
assign (resid 18 and name H1' ) (resid 18 and name H2' ) 2.4 0.6 0.6
assign (resid 18 and name H1' ) (resid 18 and name H3' ) 3.5 1.7 1.0
assign (resid 18 and name H1' ) (resid 18 and name H4' ) 3.5 1.7 1.0
assign (resid 18 and name H2' ) (resid 18 and name H3' ) 2.4 0.6 0.6
assign (resid 18 and name H2' ) (resid 18 and name H4' ) 3.5 1.7 0.5
assign (resid 18 and name H4' ) (resid 18 and name H5' ) 2.4 0.6 0.6
assign (resid 18 and name H4' ) (resid 18 and name H5'' ) 2.4 0.6 0.6
assign (resid 18 and name H1' ) (resid 18 and name H8 ) 3.0 1.2 1.0
assign (resid 18 and name H2' ) (resid 18 and name H8 ) 3.0 1.2 1.0
assign (resid 18 and name H3' ) (resid 18 and name H8 ) 2.4 0.6 0.6
assign (resid 18 and name H4' ) (resid 18 and name H8 ) 4.0 2.2 1.0
assign (resid 18 and name H2' ) (resid 19 and name H1' ) 3.0 1.2 1.0
assign (resid 18 and name H8 ) (resid 19 and name H8 ) 3.0 1.2 1.0
assign (resid 18 and name H1' ) (resid 19 and name H8 ) 4.0 2.2 1.0
assign (resid 18 and name H2' ) (resid 19 and name H8 ) 3.0 1.2 1.0
assign (resid 18 and name H3' ) (resid 19 and name H8 ) 3.0 1.2 1.0
assign (resid 1 and name H1' ) (resid 1 and name H2' ) 2.4 0.6 0.6
assign (resid 1 and name H1' ) (resid 1 and name H4' ) 2.4 0.6 0.6 
assign (resid 1 and name H1' ) (resid 1 and name H3' ) 3.5 1.7 1.0
assign (resid 2 and name H1' ) (resid 2 and name H2' ) 2.4 0.6 1.0
assign (resid 2 and name H1' ) (resid 2 and name H4' ) 3.5 1.7 1.0
assign (resid 3 and name H1' ) (resid 3 and name H2' ) 2.4 0.6 0.6
assign (resid 3 and name H1' ) (resid 3 and name H4' ) 3.5 1.7 1.0
assign (resid 3 and name H1' ) (resid 3 and name H5' ) 4.5 2.7 1.0
assign (resid 3 and name H1' ) (resid 2 and name H2' ) 4.0 2.2 1.0
assign (resid 4 and name H1' ) (resid 4 and name H2' ) 2.4 0.6 0.6
assign (resid 4 and name H1' ) (resid 4 and name H3' ) 3.5 1.7 1.0
assign (resid 4 and name H1' ) (resid 4 and name H4' ) 3.5 1.7 1.0
assign (resid 4 and name H1' ) (resid 3 and name H2' ) 4.0 2.2 1.0
assign (resid 5 and name H1' ) (resid 5 and name H2' ) 2.4 0.6 0.6 
assign (resid 5 and name H1' ) (resid 5 and name H3' ) 3.5 1.7 1.0
assign (resid 5 and name H1' ) (resid 5 and name H4' ) 3.5 1.7 1.0
assign (resid 5 and name H1' ) (resid 4 and name H2' ) 4.0 2.2 1.0
assign (resid 6 and name H1' ) (resid 6 and name H2' ) 2.4 0.6 0.6
assign (resid 6 and name H1' ) (resid 5 and name H2' ) 4.5 2.7 1.0
assign (resid 7 and name H1' ) (resid 7 and name H2' ) 2.4 0.6 0.6
assign (resid 7 and name H1' ) (resid 7 and name H3' ) 3.5 1.7 1.0
assign (resid 7 and name H1' ) (resid 7 and name H4' ) 3.5 1.7 1.0
assign (resid 8 and name H1' ) (resid 8 and name H2' ) 2.4 0.6 0.6
assign (resid 8 and name H1' ) (resid 8 and name H3' ) 3.5 1.7 1.0
assign (resid 9 and name H1' ) (resid 9 and name H2' ) 2.4 0.6 0.6
assign (resid 9 and name H1' ) (resid 9 and name H3' ) 3.5 1.7 1.0
assign (resid 10 and name H1' ) (resid 10 and name H2' ) 2.4 0.6 0.6
assign (resid 10 and name H1' ) (resid 10 and name H3' ) 3.5 1.7 1.0
assign (resid 10 and name H1' ) (resid 10 and name H4' ) 3.5 1.7 1.0
assign (resid 11 and name H1' ) (resid 11 and name H2' ) 2.4 0.6 0.6
assign (resid 11 and name H1' ) (resid 11 and name H3' ) 3.5 1.7 1.0 
assign (resid 11 and name H1' ) (resid 11 and name H4' ) 3.5 1.7 1.0
assign (resid 12 and name H1' ) (resid 12 and name H2' ) 2.4 0.6 0.6
assign (resid 13 and name H1' ) (resid 13 and name H3' ) 3.5 1.7 1.0
assign (resid 13 and name H1' ) (resid 12 and name H2' ) 4.0 2.2 1.0
assign (resid 14 and name H1' ) (resid 14 and name H2' ) 2.4 0.6 0.6
assign (resid 14 and name H1' ) (resid 14 and name H3' ) 3.5 1.7 1.0
assign (resid 20 and name H1' ) (resid 20 and name H2' ) 2.4 0.6 0.6
assign (resid 22 and name H1' ) (resid 22 and name H2' ) 2.4 0.6 0.6
assign (resid 22 and name H1' ) (resid 22 and name H3' ) 3.5 1.7 1.0
assign (resid 22 and name H1' ) (resid 22 and name H4' ) 3.5 1.7 1.0
assign (resid 23 and name H1' ) (resid 23 and name H2' ) 2.4 0.6 0.6
assign (resid 23 and name H1' ) (resid 23 and name H3' ) 3.5 1.7 1.0
assign (resid 23 and name H1' ) (resid 23 and name H4' ) 3.5 1.7 1.0
assign (resid 23 and name H1' ) (resid 23 and name H5'' ) 4.0 2.2 1.0
assign (resid 24 and name H1' ) (resid 24 and name H2' ) 2.4 0.6 0.6
assign (resid 24 and name H1' ) (resid 24 and name H3' ) 3.5 1.7 1.0
assign (resid 24 and name H1' ) (resid 24 and name H4' ) 3.5 1.7 1.0
assign (resid 24 and name H1' ) (resid 24 and name H5'' ) 4.5 2.7 1.0
assign (resid 25 and name H1' ) (resid 25 and name H2' ) 2.4 0.6 0.6
assign (resid 25 and name H1' ) (resid 25 and name H3' ) 3.5 1.7 1.0
assign (resid 25 and name H1' ) (resid 25 and name H4' ) 3.5 1.7 1.0
assign (resid 25 and name H1' ) (resid 25 and name H5' ) 4.5 2.7 1.0
assign (resid 25 and name H1' ) (resid 25 and name H5'' ) 4.0 2.2 1.0
assign (resid 26 and name H1' ) (resid 26 and name H2' ) 3.5 1.7 1.0
assign (resid 26 and name H1' ) (resid 26 and name H3' ) 3.0 1.2 1.0 
assign (resid 27 and name H1' ) (resid 27 and name H2' ) 2.4 0.6 0.6
assign (resid 27 and name H1' ) (resid 27 and name H3' ) 3.5 1.7 1.0
assign (resid 27 and name H1' ) (resid 27 and name H5'' ) 4.5 2.7 1.0
assign (resid 28 and name H1' ) (resid 28 and name H2' ) 2.4 0.6 0.6
assign (resid 28 and name H1' ) (resid 28 and name H3' ) 3.5 1.7 1.0
assign (resid 29 and name H1' ) (resid 29 and name H2' ) 2.4 0.6 0.6
assign (resid 29 and name H1' ) (resid 28 and name H2' ) 4.0 2.2 1.0
assign (resid 31 and name H1' ) (resid 31 and name H2' ) 2.4 0.6 0.6
assign (resid 31 and name H1' ) (resid 31 and name H3' ) 3.5 1.7 1.0
assign (resid 31 and name H1' ) (resid 31 and name H4' ) 3.5 1.7 1.0
assign (resid 31 and name H1' ) (resid 30 and name H2' ) 4.0 2.2 1.0
assign (resid 32 and name H1' ) (resid 32 and name H2' ) 2.4 0.6 0.6
assign (resid 32 and name H1' ) (resid 31 and name H2' ) 4.0 2.2 1.0
assign (resid 33 and name H1' ) (resid 33 and name H2' ) 2.4 0.6 0.6
assign (resid 33 and name H1' ) (resid 33 and name H3' ) 3.5 1.7 1.0
assign (resid 33 and name H1' ) (resid 33 and name H4' ) 3.5 1.7 1.0
assign (resid 34 and name H1' ) (resid 34 and name H2' ) 2.4 0.6 0.6
assign (resid 34 and name H1' ) (resid 34 and name H3' ) 3.5 1.7 1.0
assign (resid 34 and name H1' ) (resid 34 and name H4' ) 3.5 1.7 1.0
assign (resid 34 and name H1' ) (resid 33 and name H2' ) 4.0 2.2 1.0
!__________________________________________________________
!hydrogen bond restraints
!Maha changed 1.95 0.25 0.25 to 1.95 0.15 0.15
!G1-C34
assign (resid 1 and name o6) (resid 34 and name h42) 1.95 0.15 0.15
assign (resid 1 and name o6) (resid 34 and name n4) 2.95 0.25 0.25
assign (resid 1 and name h1) (resid 34 and name n3) 1.95 0.15 0.15
assign (resid 1 and name n1) (resid 34 and name n3) 2.95 0.25 0.25
assign (resid 1 and name h22) (resid 34 and name o2) 1.95 0.15 0.15
assign (resid 1 and name n2) (resid 34 and name o2) 2.95 0.25 0.25
!A2-U33
!assign (resid 2 and name h62) (resid 33 and name o4) 1.95 0.15 0.15
assign (resid 2 and name h62) (resid 33 and name o4) 1.95 0.15 0.15
assign (resid 2 and name n6) (resid 33 and name o4) 2.95 0.25 0.25
assign (resid 2 and name n1) (resid 33 and name h3) 1.95 0.15 0.15
assign (resid 2 and name n1) (resid 33 and name n3) 2.95 0.25 0.25
!assign (resid 2 and name h2) (resid 33 and name o2) 2.95 0.25 0.25
!G3-U32
assign (resid 3 and  name h1 ) (resid 32 and name o2) 1.95 0.15 0.15
assign (resid 3 and  name n1 ) (resid 32 and name o2) 2.95 0.25 0.25
assign (resid 3 and  name o6 ) (resid 32 and name h3) 1.95 0.15 0.15
assign (resid 3 and  name o6 ) (resid 32 and name n3) 2.95 0.25 0.25
!C4-G31
assign (resid 4 and name h42) (resid 31 and name o6) 1.95 0.15 0.15
assign (resid 4 and name n4) (resid 31 and name o6) 2.95 0.25 0.25
assign (resid 4 and name n3) (resid 31 and name h1) 1.95 0.15 0.15
assign (resid 4 and name n3) (resid 31 and name n1) 2.95 0.25 0.25
assign (resid 4 and name o2) (resid 31 and name h22) 1.95 0.15 0.15
assign (resid 4 and name o2) (resid 31 and name n2) 2.95 0.25 0.25
!C5-G30
assign (resid 5 and name h42) (resid 30 and name o6) 1.95 0.15 0.15
assign (resid 5 and name n4) (resid 30 and name o6) 2.95 0.25 0.25
assign (resid 5 and name n3) (resid 30 and name h1) 1.95 0.15 0.15
assign (resid 5 and name n3) (resid 30 and name n1) 2.95 0.25 0.25
assign (resid 5 and name o2) (resid 30 and name h22) 1.95 0.15 0.15
assign (resid 5 and name o2) (resid 30 and name n2) 2.95 0.25 0.25
!G6-C29
assign (resid 6 and name o6) (resid 29 and name h42) 1.95 0.15 0.15
assign (resid 6 and name o6) (resid 29 and name n4) 2.95 0.25 0.25
assign (resid 6 and name h1) (resid 29 and name n3) 1.95 0.15 0.15
assign (resid 6 and name n1) (resid 29 and name n3) 2.95 0.25 0.25
assign (resid 6 and name h22) (resid 29 and name o2) 1.95 0.15 0.15
assign (resid 6 and name n2) (resid 29 and name o2) 2.95 0.25 0.25
!U7-A28
assign (resid 7 and  name o4 ) (resid 28 and name h62) 1.95 0.15 0.15
assign (resid 7 and  name o4 ) (resid 28 and name n6) 2.95 0.25 0.25
assign (resid 7 and  name h3 ) (resid 28 and name n1) 1.95 0.15 0.15
assign (resid 7 and  name n3 ) (resid 28 and name n1) 2.95 0.25 0.25
!assign (resid 7 and  name o2 ) (resid 28 and name h2) 2.95 0.25 0.25
!G8-C27
assign (resid 8 and name o6) (resid 27 and name h42) 1.95 0.15 0.15
assign (resid 8 and name o6) (resid 27 and name n4) 2.95 0.25 0.25
assign (resid 8 and name h1) (resid 27 and name n3) 1.95 0.15 0.15
assign (resid 8 and name n1) (resid 27 and name n3) 2.95 0.25 0.25
assign (resid 8 and name h22) (resid 27 and name o2) 1.95 0.15 0.15
assign (resid 8 and name n2) (resid 27 and name o2) 2.95 0.25 0.25
!G10-C23
assign (resid 10 and name o6) (resid 23 and name h42) 1.95 0.15 0.15
assign (resid 10 and name o6) (resid 23 and name n4) 2.95 0.25 0.25
assign (resid 10 and name h1) (resid 23 and name n3) 1.95 0.15 0.15
assign (resid 10 and name n1) (resid 23 and name n3) 2.95 0.25 0.25
assign (resid 10 and name h22) (resid 23 and name o2) 1.95 0.15 0.15
assign (resid 10 and name n2) (resid 23 and name o2) 2.95 0.25 0.25
!C11-G22
assign (resid 11 and name h42) (resid 22 and name o6) 1.95 0.15 0.15
assign (resid 11 and name n4) (resid 22 and name o6) 2.95 0.25 0.25
assign (resid 11 and name n3) (resid 22 and name h1) 1.95 0.15 0.15
assign (resid 11 and name n3) (resid 22 and name n1) 2.95 0.25 0.25
assign (resid 11 and name o2) (resid 22 and name h22) 1.95 0.15 0.15
assign (resid 11 and name o2) (resid 22 and name n2) 2.95 0.25 0.25
!G12-C21
assign (resid 12 and name o6) (resid 21 and name h42) 1.95 0.15 0.15
assign (resid 12 and name o6) (resid 21 and name n4) 2.95 0.25 0.25
assign (resid 12 and name h1) (resid 21 and name n3) 1.95 0.15 0.15
assign (resid 12 and name n1) (resid 21 and name n3) 2.95 0.25 0.25
assign (resid 12 and name h22) (resid 21 and name o2) 1.95 0.15 0.15
assign (resid 12 and name n2) (resid 21 and name o2) 2.95 0.25 0.25
!A13-U20
assign (resid 13 and name h62) (resid 20 and name o4) 1.95 0.15 0.15
assign (resid 13 and name n6) (resid 20 and name o4) 2.95 0.25 0.25
assign (resid 13 and name n1) (resid 20 and name h3) 1.95 0.15 0.15
assign (resid 13 and name n1) (resid 20 and name n3) 2.95 0.25 0.25
!assign (resid 13 and name h2) (resid 20 and name o2) 2.95 0.25 0.25
!U14-G19
assign (resid 14 and name o2) (resid 19 and name h1) 1.95 0.15 0.15
assign (resid 14 and name o2) (resid 19 and name n1) 2.95 0.25 0.25
assign (resid 14 and name h3) (resid 19 and name o6) 1.95 0.15 0.15
assign (resid 14 and name n3) (resid 19 and name o6) 2.95 0.25 0.25
!_____________________________________________________________________
:
!{Residual dipolar coupling restraints}
! File name D5PL_RDC.tbl
! NMR structure of D5 of the group II intron of PL
! Mahadevan Seetharaman, May 13, 2005
! Kwaku T. Dayie, Oct 17, 2005 removed flexible bulge and tetraloop
! Kwaku T. Dayie, Oct 24, 2005 removed flexible bulge A25 and tetraloop and U14
! A18_C2 9.795
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 18  and name C2  )
! ( resid 18  and name H2  ) 9.8  2.0
! A25_C2 24.412
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 25  and name C2  )
! ( resid 25  and name H2  ) 24.4  2.0
! A16_C2 27.852
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 16  and name C2  )
! ( resid 16  and name H2  ) 27.9  2.0
!A17_C2 13.848
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 17  and name C2  )
! ( resid 17  and name H2  ) 13.8  2.0
! A2_C2 28.386
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 2  and name C2  )
 ( resid 2  and name H2  ) 28.4  2.0
! A24_C2 25.152
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 24  and name C2  )
 ( resid 24  and name H2  ) 25.2  2.0
! C34_C5 45.209
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 34  and name C5  )
 ( resid 34  and name H5  ) 45.2  2.0
! U33_C5 48.631
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 33  and name C5  )
 ( resid 33  and name H5  ) 48.6  2.0
! C21_C5 14.249
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 21  and name C5  )
 ( resid 21  and name H5  ) 14.2  2.0
! U9_C5 28.206
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 9  and name C5  )
 ( resid 9  and name H5  ) 28.2  2.0
! U32_C5 46.579
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 32  and name C5  )
 ( resid 32  and name H5  ) 46.6  2.0
! U14_C5 12.491
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 14  and name C5  )
! ( resid 14  and name H5  ) 12.5  2.0
! C4_C5 21.714
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 4  and name C5  )
 ( resid 4  and name H5  ) 21.7  2.0
! U7_C5 46.013
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 7  and name C5  )
 ( resid 7  and name H5  ) 46.0  2.0
! U33_C6 24.959
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 33  and name C6  )
 ( resid 33  and name H6  ) 25.0  2.0
! C34_C6 11.813
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 34  and name C6  )
 ( resid 34  and name H6  ) 11.8  2.0
! C21_C6 16.328
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 21  and name C6  )
 ( resid 21  and name H6  ) 16.3  2.0
! C23_C6 45.186
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 23  and name C6  )
 ( resid 23  and name H6  ) 45.2  2.0
! U14_C6 16.677
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 14  and name C6  )
! ( resid 14  and name H6  ) 16.7  2.0
! A16_C8 13.637
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 16  and name C8  )
! ( resid 16  and name H8  ) 13.6  2.0
! A18_C8 12.622
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 18  and name C8  )
! ( resid 18  and name H8  ) 12.6  2.0
! A28_C8 25.847
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 28  and name C8  )
 ( resid 28  and name H8  ) 25.8  2.0
! A25_C8 28.85
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 25  and name C8  )
! ( resid 25  and name H8  ) 28.9  2.0
! A17_C8 5.544
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 17  and name C8  )
! ( resid 17  and name H8  ) 5.5  2.0
! G10_C8 40.167
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 10  and name C8  )
 ( resid 10  and name H8  ) 40.2  2.0
! A2_C8 24.799
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 2  and name C8  )
 ( resid 2  and name H8  ) 24.8  2.0
! G19_C8 22.413
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 19  and name C8  )
 ( resid 19  and name H8  ) 22.4  2.0
! G26_C8 27.848
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 26  and name C8  )
 ( resid 26  and name H8  ) 27.8  2.0
! A13_C8 12.164
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 13  and name C8  )
 ( resid 13  and name H8  ) 12.2  2.0
! G8_C8 29.424
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 8  and name C8  )
 ( resid 8  and name H8  ) 29.4  2.0
! G15_C8 -10.847
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 15  and name C8  )
! ( resid 15  and name H8  ) -10.8  2.0
! G1_C8 28.033
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 1  and name C8  )
 ( resid 1  and name H8  ) 28.0  2.0
! G31_C8 48.624
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 31  and name C8  )
 ( resid 31  and name H8  ) 48.6  2.0
! G3_C8 31.922
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 3  and name C8  )
 ( resid 3  and name H8  ) 31.9  2.0
! A2_C1' -46.856
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 2  and name C1'  )
 ( resid 2  and name H1'  ) -46.9  2.0
! G3_C1' -28.258
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 3  and name C1'  )
 ( resid 3  and name H1'  ) -28.3  2.0
! U7_C1' -17.925
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 7  and name C1'  )
 ( resid 7  and name H1'  ) -17.9  2.0
! G8_C1' -12.604
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 8  and name C1'  )
 ( resid 8  and name H1'  ) -12.6  2.0
! G12_C1' 19.949
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 12  and name C1'  )
 ( resid 12  and name H1'  ) 19.9  2.0
! A13_C1' -2.727
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 13  and name C1'  )
 ( resid 13  and name H1'  ) -2.7  2.0
! U14_C1' 9.748
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 14  and name C1'  )
! ( resid 14  and name H1'  ) 9.7  2.0
! A17_C1' -17.681
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 17  and name C1'  )
! ( resid 17  and name H1'  ) -17.7  2.0
! A18_C1' -20.432
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 18  and name C1'  )
! ( resid 18  and name H1'  ) -20.4  2.0
! G22_C1' -4.449
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 22  and name C1'  )
 ( resid 22  and name H1'  ) -4.4  2.0
! C23_C1' 12.518
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 23  and name C1'  )
 ( resid 23  and name H1'  ) 12.5  2.0
! A24_C1' 11.423
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 24  and name C1'  )
 ( resid 24  and name H1'  ) 11.4  2.0
! A25_C1' -19.066
!assign ( resid 500 and name OO  )
! ( resid 500 and name Z   )
! ( resid 500 and name X   )
! ( resid 500 and name Y   )
! ( resid 25  and name C1'  )
! ( resid 25  and name H1'  ) -19.1  2.0
! G26_C1' -42.851
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 26  and name C1'  )
 ( resid 26  and name H1'  ) -42.9  2.0
! A28_C1' -49.928
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 28  and name C1'  )
 ( resid 28  and name H1'  ) -49.9  2.0
! C29_C1' -48.433
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 29  and name C1'  )
 ( resid 29  and name H1'  ) -48.4  2.0
! U33_C1' -12.246
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 33  and name C1'  )
 ( resid 33  and name H1'  ) -12.2  2.0
! C34_C1' -27.358
assign ( resid 500 and name OO  )
 ( resid 500 and name Z   )
 ( resid 500 and name X   )
 ( resid 500 and name Y   )
 ( resid 34  and name C1'  )
 ( resid 34  and name H1'  ) -27.4  2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  24.084 -10.795  -0.260
    2   2H5*    G   1          2H5*        G   1  22.747  -9.685   0.089
    3    H4*    G   1           H4*        G   1  23.211  -9.854  -2.305
    4    H3*    G   1           H3*        G   1  20.507 -10.837  -1.406
    5    H2*    G   1           H2*        G   1  19.993 -11.241  -3.711
    6   2HO*    G   1          2HO*        G   1  20.749  -9.811  -5.077
    7    H1*    G   1           H1*        G   1  22.609 -12.166  -4.365
    8    H8     G   1           H8         G   1  21.987 -14.084  -1.400
    9    H1     G   1           H1         G   1  18.165 -15.995  -6.184
   10   1H2     G   1          1H2         G   1  18.163 -14.510  -7.798
   11   2H2     G   1          2H2         G   1  19.103 -13.039  -7.701
   12    H5T    G   1           H5T        G   1  22.019 -12.316  -0.326
   13   1H5*    A   2          1H5*        A   2  20.130  -8.170  -4.450
   14   2H5*    A   2          2H5*        A   2  18.734  -7.079  -4.376
   15    H4*    A   2           H4*        A   2  18.827  -8.331  -6.471
   16    H3*    A   2           H3*        A   2  16.447  -8.881  -4.699
   17    H2*    A   2           H2*        A   2  15.607 -10.301  -6.460
   18   2HO*    A   2          2HO*        A   2  17.146  -8.663  -7.963
   19    H1*    A   2           H1*        A   2  18.129 -11.466  -7.009
   20    H8     A   2           H8         A   2  18.191 -11.563  -3.394
   21   1H6     A   2          H61         A   2  14.146 -16.251  -3.535
   22   2H6     A   2          H62         A   2  15.291 -15.368  -2.550
   23    H2     A   2           H2         A   2  14.194 -14.321  -7.587
   24   1H5*    G   3          1H5*        G   3  15.485  -8.648  -8.513
   25   2H5*    G   3          2H5*        G   3  14.801  -7.035  -8.792
   26    H4*    G   3           H4*        G   3  13.695  -8.351 -10.328
   27    H3*    G   3           H3*        G   3  11.958  -8.056  -7.890
   28    H2*    G   3           H2*        G   3  10.294  -9.413  -8.982
   29   2HO*    G   3          2HO*        G   3  10.170  -9.255 -11.090
   30    H1*    G   3           H1*        G   3  12.124 -11.322  -9.923
   31    H8     G   3           H8         G   3  13.074 -10.088  -6.489
   32    H1     G   3           H1         G   3   8.806 -14.874  -6.522
   33   1H2     G   3          1H2         G   3   8.079 -15.237  -8.553
   34   2H2     G   3          2H2         G   3   8.639 -14.296  -9.918
   35   1H5*    C   4          1H5*        C   4   9.927  -7.483 -11.060
   36   2H5*    C   4          2H5*        C   4   8.921  -6.037 -11.271
   37    H4*    C   4           H4*        C   4   7.462  -7.738 -11.773
   38    H3*    C   4           H3*        C   4   7.075  -7.016  -8.877
   39    H2*    C   4           H2*        C   4   5.327  -8.687  -8.778
   40   2HO*    C   4          2HO*        C   4   4.314  -9.265 -10.558
   41    H1*    C   4           H1*        C   4   6.845 -10.658 -10.020
   42   1H4     C   4          H41         C   4   8.373 -11.428  -3.912
   43   2H4     C   4          H42         C   4   9.375 -10.001  -3.944
   44    H5     C   4           H5         C   4   9.558  -8.567  -5.884
   45    H6     C   4           H6         C   4   8.761  -8.178  -8.152
   46   1H5*    C   5          1H5*        C   5   3.694  -7.606 -10.220
   47   2H5*    C   5          2H5*        C   5   2.340  -6.651  -9.584
   48    H4*    C   5           H4*        C   5   2.174  -9.031  -9.020
   49    H3*    C   5           H3*        C   5   2.431  -7.093  -6.727
   50    H2*    C   5           H2*        C   5   2.226  -8.973  -5.232
   51   2HO*    C   5          2HO*        C   5   1.126 -10.682  -5.847
   52    H1*    C   5           H1*        C   5   3.935 -10.644  -6.734
   53   1H4     C   5          H41         C   5   7.416  -8.144  -2.068
   54   2H4     C   5          H42         C   5   7.928  -6.838  -3.129
   55    H5     C   5           H5         C   5   6.994  -6.558  -5.368
   56    H6     C   5           H6         C   5   5.383  -7.438  -6.977
   57   1H5*    G   6          1H5*        G   6  -0.499  -9.857  -5.957
   58   2H5*    G   6          2H5*        G   6  -2.050  -9.007  -6.082
   59    H4*    G   6           H4*        G   6  -2.509 -10.370  -4.339
   60    H3*    G   6           H3*        G   6  -1.369  -7.875  -3.112
   61    H2*    G   6           H2*        G   6  -1.589  -8.912  -0.935
   62   2HO*    G   6          2HO*        G   6  -3.520 -10.235  -2.094
   63    H1*    G   6           H1*        G   6  -0.381 -11.283  -1.689
   64    H8     G   6           H8         G   6   1.089  -8.474  -3.724
   65    H1     G   6           H1         G   6   3.731  -9.167   2.072
   66   1H2     G   6          1H2         G   6   2.536 -10.574   3.288
   67   2H2     G   6          2H2         G   6   1.091 -11.339   2.670
   68   1H5*    U   7          1H5*        U   7  -4.341  -9.010  -0.816
   69   2H5*    U   7          2H5*        U   7  -5.288  -7.707  -0.074
   70    H4*    U   7           H4*        U   7  -4.240  -9.091   1.610
   71    H3*    U   7           H3*        U   7  -3.208  -6.262   1.464
   72    H2*    U   7           H2*        U   7  -1.878  -6.789   3.429
   73   2HO*    U   7          2HO*        U   7  -3.780  -8.617   3.790
   74    H1*    U   7           H1*        U   7  -0.903  -9.169   2.335
   75    H3     U   7           H3         U   7   2.501  -6.214   1.976
   76    H5     U   7           H5         U   7   0.125  -5.567  -1.419
   77    H6     U   7           H6         U   7  -1.549  -6.985  -0.418
   78   1H5*    G   8          1H5*        G   8  -3.820  -7.096   4.985
   79   2H5*    G   8          2H5*        G   8  -4.676  -5.999   6.087
   80    H4*    G   8           H4*        G   8  -2.580  -6.483   7.058
   81    H3*    G   8           H3*        G   8  -2.692  -3.699   5.920
   82    H2*    G   8           H2*        G   8  -0.442  -3.353   6.640
   83   2HO*    G   8          2HO*        G   8  -1.223  -4.852   8.628
   84    H1*    G   8           H1*        G   8   0.411  -6.046   6.146
   85    H8     G   8           H8         G   8  -1.126  -5.119   3.002
   86    H1     G   8           H1         G   8   4.438  -2.060   3.893
   87   1H2     G   8          1H2         G   8   5.071  -2.234   5.998
   88   2H2     G   8          2H2         G   8   4.121  -3.099   7.183
   89   1H5*    U   9          1H5*        U   9  -3.303   0.186   7.561
   90   2H5*    U   9          2H5*        U   9  -2.891  -0.933   6.246
   91    H4*    U   9           H4*        U   9  -0.887   0.103   8.239
   92    H3*    U   9           H3*        U   9  -1.778   1.407   5.691
   93    H2*    U   9           H2*        U   9   0.515   1.892   5.133
   94   2HO*    U   9          2HO*        U   9   0.797   1.924   7.744
   95    H1*    U   9           H1*        U   9   1.509  -0.623   5.784
   96    H3     U   9           H3         U   9   1.162   0.021   1.202
   97    H5     U   9           H5         U   9  -2.234  -2.108   2.441
   98    H6     U   9           H6         U   9  -1.612  -1.627   4.716
   99   1H5*    G  10          1H5*        G  10   1.137   3.619   7.154
  100   2H5*    G  10          2H5*        G  10   0.386   4.888   8.141
  101    H4*    G  10           H4*        G  10   2.467   5.680   7.258
  102    H3*    G  10           H3*        G  10   0.011   7.012   6.162
  103    H2*    G  10           H2*        G  10   1.403   8.386   4.757
  104   2HO*    G  10          2HO*        G  10   3.136   8.036   6.702
  105    H1*    G  10           H1*        G  10   3.077   6.321   3.912
  106    H8     G  10           H8         G  10  -0.335   4.854   4.220
  107    H1     G  10           H1         G  10   0.514   8.234  -1.166
  108   1H2     G  10          1H2         G  10   2.374   9.399  -1.050
  109   2H2     G  10          2H2         G  10   3.416   9.344   0.355
  110   1H5*    C  11          1H5*        C  11   2.284  10.285   7.644
  111   2H5*    C  11          2H5*        C  11   1.301  11.217   8.791
  112    H4*    C  11           H4*        C  11   2.138  12.802   7.316
  113    H3*    C  11           H3*        C  11  -0.707  12.137   6.646
  114    H2*    C  11           H2*        C  11  -0.603  13.641   4.758
  115   2HO*    C  11          2HO*        C  11   1.210  14.847   6.227
  116    H1*    C  11           H1*        C  11   1.797  12.678   3.783
  117   1H4     C  11          H41         C  11  -2.475   8.817   1.102
  118   2H4     C  11          H42         C  11  -2.516   7.833   2.547
  119    H5     C  11           H5         C  11  -1.338   8.419   4.574
  120    H6     C  11           H6         C  11   0.122  10.063   5.628
  121   1H5*    G  12          1H5*        G  12  -0.611  16.494   7.270
  122   2H5*    G  12          2H5*        G  12  -2.095  17.010   8.095
  123    H4*    G  12           H4*        G  12  -1.717  18.247   6.031
  124    H3*    G  12           H3*        G  12  -4.192  16.592   6.282
  125    H2*    G  12           H2*        G  12  -4.814  17.079   4.011
  126   2HO*    G  12          2HO*        G  12  -4.237  18.959   3.214
  127    H1*    G  12           H1*        G  12  -2.312  16.660   2.893
  128    H8     G  12           H8         G  12  -2.359  14.176   5.604
  129    H1     G  12           H1         G  12  -5.991  12.451   0.613
  130   1H2     G  12          1H2         G  12  -6.334  14.177  -0.714
  131   2H2     G  12          2H2         G  12  -5.649  15.749  -0.377
  132   1H5*    A  13          1H5*        A  13  -5.493  19.684   4.224
  133   2H5*    A  13          2H5*        A  13  -7.035  20.316   4.832
  134    H4*    A  13           H4*        A  13  -7.193  19.588   2.509
  135    H3*    A  13           H3*        A  13  -8.872  18.140   4.538
  136    H2*    A  13           H2*        A  13  -9.710  16.714   2.820
  137   2HO*    A  13          2HO*        A  13 -10.130  17.645   0.967
  138    H1*    A  13           H1*        A  13  -7.284  16.595   1.317
  139    H8     A  13           H8         A  13  -6.316  15.836   4.773
  140   1H6     A  13          H61         A  13  -8.343  10.052   3.895
  141   2H6     A  13          H62         A  13  -7.401  11.108   4.924
  142    H2     A  13           H2         A  13  -9.883  12.595   0.529
  143   1H5*    U  14          1H5*        U  14 -11.219  19.003   0.898
  144   2H5*    U  14          2H5*        U  14 -12.582  19.944   1.535
  145    H4*    U  14           H4*        U  14 -13.509  18.411   0.033
  146    H3*    U  14           H3*        U  14 -13.991  17.654   2.881
  147    H2*    U  14           H2*        U  14 -15.098  15.629   2.167
  148   2HO*    U  14          2HO*        U  14 -15.567  17.088  -0.006
  149    H1*    U  14           H1*        U  14 -13.179  14.885   0.314
  150    H3     U  14           H3         U  14 -12.114  12.169   3.745
  151    H5     U  14           H5         U  14 -10.698  15.920   4.953
  152    H6     U  14           H6         U  14 -11.787  16.868   3.029
  153   1H5*    G  15          1H5*        G  15 -17.544  17.286   1.456
  154   2H5*    G  15          2H5*        G  15 -18.916  17.765   2.474
  155    H4*    G  15           H4*        G  15 -18.977  15.411   2.227
  156    H3*    G  15           H3*        G  15 -18.210  16.344   4.965
  157    H2*    G  15           H2*        G  15 -17.879  14.065   5.673
  158   2HO*    G  15          2HO*        G  15 -19.668  13.600   3.785
  159    H1*    G  15           H1*        G  15 -16.416  13.271   3.465
  160    H8     G  15           H8         G  15 -15.454  16.818   3.870
  161    H1     G  15           H1         G  15 -12.661  12.967   8.167
  162   1H2     G  15          1H2         G  15 -13.602  10.963   8.121
  163   2H2     G  15          2H2         G  15 -14.929  10.601   7.044
  164   1H5*    A  16          1H5*        A  16 -18.823  16.266   7.444
  165   2H5*    A  16          2H5*        A  16 -19.311  14.692   6.789
  166    H4*    A  16           H4*        A  16 -19.833  15.897   9.462
  167    H3*    A  16           H3*        A  16 -18.084  13.987   8.864
  168    H2*    A  16           H2*        A  16 -19.436  12.297   7.923
  169   2HO*    A  16          2HO*        A  16 -18.811  11.464  10.034
  170    H1*    A  16           H1*        A  16 -21.870  12.756   9.615
  171    H8     A  16           H8         A  16 -21.125  14.046   6.105
  172   1H6     A  16          H61         A  16 -24.810   9.489   4.105
  173   2H6     A  16          H62         A  16 -23.901  10.908   3.629
  174    H2     A  16           H2         A  16 -24.262   8.995   8.517
  175   1H5*    A  17          1H5*        A  17 -15.826  11.366  11.697
  176   2H5*    A  17          2H5*        A  17 -15.413  11.329   9.972
  177    H4*    A  17           H4*        A  17 -16.563   9.296  11.593
  178    H3*    A  17           H3*        A  17 -15.485   9.448   8.819
  179    H2*    A  17           H2*        A  17 -16.757   7.552   8.113
  180   2HO*    A  17          2HO*        A  17 -16.618   6.082   9.694
  181    H1*    A  17           H1*        A  17 -19.124   8.159   9.465
  182    H8     A  17           H8         A  17 -17.389  11.205   7.941
  183   1H6     A  17          H61         A  17 -20.971  10.186   3.001
  184   2H6     A  17          H62         A  17 -19.816  11.279   3.741
  185    H2     A  17           H2         A  17 -21.517   6.763   5.836
  186   1H5*    A  18          1H5*        A  18 -14.089   5.476  10.192
  187   2H5*    A  18          2H5*        A  18 -12.718   4.984   9.178
  188    H4*    A  18           H4*        A  18 -14.767   3.606   8.906
  189    H3*    A  18           H3*        A  18 -13.425   4.911   6.581
  190    H2*    A  18           H2*        A  18 -15.169   4.199   5.091
  191   2HO*    A  18          2HO*        A  18 -15.350   2.214   6.826
  192    H1*    A  18           H1*        A  18 -17.306   4.834   6.748
  193    H8     A  18           H8         A  18 -14.389   7.281   7.052
  194   1H6     A  18          H61         A  18 -17.277  10.557   2.664
  195   2H6     A  18          H62         A  18 -15.949  10.545   3.804
  196    H2     A  18           H2         A  18 -19.422   6.652   3.122
  197   1H5*    G  19          1H5*        G  19 -14.473   1.977   4.736
  198   2H5*    G  19          2H5*        G  19 -13.204   1.176   3.790
  199    H4*    G  19           H4*        G  19 -14.748   1.947   2.222
  200    H3*    G  19           H3*        G  19 -12.357   3.769   2.335
  201    H2*    G  19           H2*        G  19 -13.370   5.088   0.573
  202   2HO*    G  19          2HO*        G  19 -14.710   4.108  -0.754
  203    H1*    G  19           H1*        G  19 -15.830   5.261   1.827
  204    H8     G  19           H8         G  19 -13.285   5.056   4.553
  205    H1     G  19           H1         G  19 -13.737  10.884   1.917
  206   1H2     G  19          1H2         G  19 -14.961  10.799   0.085
  207   2H2     G  19          2H2         G  19 -15.676   9.305  -0.480
  208   1H5*    U  20          1H5*        U  20 -13.068   3.637  -1.235
  209   2H5*    U  20          2H5*        U  20 -11.707   3.571  -2.371
  210    H4*    U  20           H4*        U  20 -13.001   5.628  -2.599
  211    H3*    U  20           H3*        U  20 -10.134   5.911  -1.727
  212    H2*    U  20           H2*        U  20 -10.435   8.294  -1.731
  213   2HO*    U  20          2HO*        U  20 -11.956   9.240  -2.920
  214    H1*    U  20           H1*        U  20 -12.994   8.234  -0.550
  215    H3     U  20           H3         U  20  -9.755  10.091   2.200
  216    H5     U  20           H5         U  20 -10.079   6.024   3.204
  217    H6     U  20           H6         U  20 -11.416   5.721   1.225
  218   1H5*    C  21          1H5*        C  21 -11.180   8.834  -4.530
  219   2H5*    C  21          2H5*        C  21 -10.221   8.472  -5.979
  220    H4*    C  21           H4*        C  21 -10.184  10.784  -5.831
  221    H3*    C  21           H3*        C  21  -7.634   9.587  -4.834
  222    H2*    C  21           H2*        C  21  -6.817  11.751  -4.178
  223   2HO*    C  21          2HO*        C  21  -8.388  12.557  -6.145
  224    H1*    C  21           H1*        C  21  -9.155  12.608  -2.954
  225   1H4     C  21          H41         C  21  -6.088   9.731   1.795
  226   2H4     C  21          H42         C  21  -6.752   8.189   1.307
  227    H5     C  21           H5         C  21  -8.057   7.902  -0.712
  228    H6     C  21           H6         C  21  -8.967   9.026  -2.675
  229   1H5*    G  22          1H5*        G  22  -6.406  12.600  -6.952
  230   2H5*    G  22          2H5*        G  22  -5.765  12.161  -8.547
  231    H4*    G  22           H4*        G  22  -4.246  13.723  -7.930
  232    H3*    G  22           H3*        G  22  -3.173  11.074  -7.061
  233    H2*    G  22           H2*        G  22  -1.347  12.133  -5.906
  234   2HO*    G  22          2HO*        G  22  -0.649  14.028  -6.569
  235    H1*    G  22           H1*        G  22  -2.857  14.049  -4.623
  236    H8     G  22           H8         G  22  -4.774  10.804  -5.205
  237    H1     G  22           H1         G  22  -1.447  11.061   0.269
  238   1H2     G  22          1H2         G  22  -0.183  12.859   0.307
  239   2H2     G  22          2H2         G  22  -0.157  14.002  -1.017
  240   1H5*    C  23          1H5*        C  23  -0.171  13.050  -7.887
  241   2H5*    C  23          2H5*        C  23   0.908  12.500  -9.179
  242    H4*    C  23           H4*        C  23   2.350  12.872  -7.441
  243    H3*    C  23           H3*        C  23   1.684   9.958  -7.618
  244    H2*    C  23           H2*        C  23   2.930   9.511  -5.625
  245   2HO*    C  23          2HO*        C  23   4.482  11.332  -6.473
  246    H1*    C  23           H1*        C  23   2.092  11.772  -4.204
  247   1H4     C  23          H41         C  23  -1.898   7.305  -2.165
  248   2H4     C  23          H42         C  23  -2.831   7.415  -3.639
  249    H5     C  23           H5         C  23  -2.164   8.798  -5.514
  250    H6     C  23           H6         C  23  -0.482  10.363  -6.337
  251   1H5*    A  24          1H5*        A  24   5.037   7.712  -9.919
  252   2H5*    A  24          2H5*        A  24   4.224   6.654  -8.748
  253    H4*    A  24           H4*        A  24   5.839   9.133  -8.271
  254    H3*    A  24           H3*        A  24   6.755   6.636  -8.099
  255    H2*    A  24           H2*        A  24   5.134   5.745  -6.558
  256   2HO*    A  24          2HO*        A  24   7.376   5.888  -5.557
  257    H1*    A  24           H1*        A  24   5.231   8.298  -4.890
  258    H8     A  24           H8         A  24   2.167   7.255  -6.825
  259   1H6     A  24          H61         A  24  -0.008   5.022  -1.472
  260   2H6     A  24          H62         A  24  -0.401   5.386  -3.142
  261    H2     A  24           H2         A  24   4.272   6.175  -0.858
  262   1H5*    A  25          1H5*        A  25  10.769   5.371  -7.419
  263   2H5*    A  25          2H5*        A  25   9.635   4.013  -7.557
  264    H4*    A  25           H4*        A  25  10.839   5.270  -5.173
  265    H3*    A  25           H3*        A  25  11.169   2.799  -6.028
  266    H2*    A  25           H2*        A  25   8.921   2.035  -6.149
  267   2HO*    A  25          2HO*        A  25  10.120   1.528  -3.727
  268    H1*    A  25           H1*        A  25   8.038   3.357  -3.580
  269    H8     A  25           H8         A  25   7.477   4.307  -7.236
  270   1H6     A  25          H61         A  25   1.708   2.181  -6.440
  271   2H6     A  25          H62         A  25   2.792   3.000  -7.547
  272    H2     A  25           H2         A  25   4.041   1.329  -2.714
  273   1H5*    G  26          1H5*        G  26  14.047   1.584  -1.816
  274   2H5*    G  26          2H5*        G  26  13.438  -0.061  -2.081
  275    H4*    G  26           H4*        G  26  12.090   2.324  -0.966
  276    H3*    G  26           H3*        G  26  11.926  -0.637  -0.411
  277    H2*    G  26           H2*        G  26   9.778  -0.216   0.586
  278   2HO*    G  26          2HO*        G  26  10.809   2.109   1.136
  279    H1*    G  26           H1*        G  26   8.918   1.467  -1.499
  280    H8     G  26           H8         G  26   8.243   0.086  -3.746
  281    H1     G  26           H1         G  26   9.519  -5.289  -0.484
  282   1H2     G  26          1H2         G  26  10.689  -4.831   1.321
  283   2H2     G  26          2H2         G  26  11.151  -3.196   1.727
  284   1H5*    C  27          1H5*        C  27  12.166   1.272   3.795
  285   2H5*    C  27          2H5*        C  27  13.207   0.149   4.692
  286    H4*    C  27           H4*        C  27  11.440   0.210   6.095
  287    H3*    C  27           H3*        C  27  10.707  -1.982   4.158
  288    H2*    C  27           H2*        C  27   8.681  -2.271   5.425
  289   2HO*    C  27          2HO*        C  27  10.232  -1.334   7.391
  290    H1*    C  27           H1*        C  27   8.236   0.506   5.757
  291   1H4     C  27          H41         C  27   4.557  -1.481   0.943
  292   2H4     C  27          H42         C  27   5.697  -0.737  -0.162
  293    H5     C  27           H5         C  27   7.821   0.165   0.570
  294    H6     C  27           H6         C  27   9.294   0.503   2.488
  295   1H5*    A  28          1H5*        A  28  10.084  -3.288   7.844
  296   2H5*    A  28          2H5*        A  28  11.102  -4.660   8.323
  297    H4*    A  28           H4*        A  28   9.084  -5.281   9.184
  298    H3*    A  28           H3*        A  28   9.198  -6.502   6.432
  299    H2*    A  28           H2*        A  28   7.026  -7.477   6.903
  300   2HO*    A  28          2HO*        A  28   7.817  -7.337   9.384
  301    H1*    A  28           H1*        A  28   5.943  -5.074   7.807
  302    H8     A  28           H8         A  28   8.352  -4.045   5.193
  303   1H6     A  28          H61         A  28   4.012  -5.346   0.974
  304   2H6     A  28          H62         A  28   5.561  -4.587   1.265
  305    H2     A  28           H2         A  28   2.682  -7.038   4.918
  306   1H5*    C  29          1H5*        C  29   8.241  -9.479   9.154
  307   2H5*    C  29          2H5*        C  29   8.915 -11.073   8.764
  308    H4*    C  29           H4*        C  29   6.520 -11.203   8.976
  309    H3*    C  29           H3*        C  29   7.611 -11.668   6.216
  310    H2*    C  29           H2*        C  29   5.353 -12.036   5.436
  311   2HO*    C  29          2HO*        C  29   4.955 -12.814   7.898
  312    H1*    C  29           H1*        C  29   4.296  -9.793   6.703
  313   1H4     C  29          H41         C  29   6.123  -7.653   1.028
  314   2H4     C  29          H42         C  29   7.733  -7.325   1.643
  315    H5     C  29           H5         C  29   8.425  -7.975   3.879
  316    H6     C  29           H6         C  29   7.722  -9.077   5.938
  317   1H5*    G  30          1H5*        G  30   5.074 -14.615   6.676
  318   2H5*    G  30          2H5*        G  30   5.607 -16.189   6.054
  319    H4*    G  30           H4*        G  30   3.582 -15.439   4.951
  320    H3*    G  30           H3*        G  30   6.034 -15.672   3.224
  321    H2*    G  30           H2*        G  30   4.731 -14.955   1.343
  322   2HO*    G  30          2HO*        G  30   2.799 -16.175   2.753
  323    H1*    G  30           H1*        G  30   3.143 -13.089   2.810
  324    H8     G  30           H8         G  30   6.582 -12.333   3.812
  325    H1     G  30           H1         G  30   5.226 -10.226  -2.089
  326   1H2     G  30          1H2         G  30   3.351 -11.167  -2.811
  327   2H2     G  30          2H2         G  30   2.458 -12.313  -1.840
  328   1H5*    G  31          1H5*        G  31   2.746 -17.171   1.288
  329   2H5*    G  31          2H5*        G  31   2.896 -18.936   1.384
  330    H4*    G  31           H4*        G  31   1.984 -18.749  -0.675
  331    H3*    G  31           H3*        G  31   4.949 -18.712  -1.049
  332    H2*    G  31           H2*        G  31   4.690 -18.241  -3.394
  333   2HO*    G  31          2HO*        G  31   2.437 -19.549  -3.076
  334    H1*    G  31           H1*        G  31   2.770 -16.263  -3.100
  335    H8     G  31           H8         G  31   5.256 -16.377  -0.222
  336    H1     G  31           H1         G  31   6.934 -12.582  -5.113
  337   1H2     G  31          1H2         G  31   5.584 -12.878  -6.810
  338   2H2     G  31          2H2         G  31   4.262 -14.022  -6.755
  339   1H5*    U  32          1H5*        U  32   3.919 -20.953  -4.119
  340   2H5*    U  32          2H5*        U  32   5.076 -22.263  -4.424
  341    H4*    U  32           H4*        U  32   5.070 -20.689  -6.253
  342    H3*    U  32           H3*        U  32   7.599 -20.843  -4.643
  343    H2*    U  32           H2*        U  32   8.570 -19.145  -6.052
  344   2HO*    U  32          2HO*        U  32   7.909 -19.412  -8.085
  345    H1*    U  32           H1*        U  32   6.352 -17.466  -6.018
  346    H3     U  32           H3         U  32   9.283 -15.405  -3.287
  347    H5     U  32           H5         U  32   7.712 -18.528  -0.949
  348    H6     U  32           H6         U  32   6.596 -19.333  -2.922
  349   1H5*    U  33          1H5*        U  33   8.117 -21.170  -8.884
  350   2H5*    U  33          2H5*        U  33   9.465 -22.202  -9.399
  351    H4*    U  33           H4*        U  33   9.514 -19.995 -10.454
  352    H3*    U  33           H3*        U  33  11.835 -20.707  -8.672
  353    H2*    U  33           H2*        U  33  12.829 -18.585  -9.250
  354   2HO*    U  33          2HO*        U  33  12.416 -17.869 -11.207
  355    H1*    U  33           H1*        U  33  10.461 -17.125  -8.907
  356    H3     U  33           H3         U  33  13.225 -16.138  -5.429
  357    H5     U  33           H5         U  33  11.203 -19.634  -4.291
  358    H6     U  33           H6         U  33  10.351 -19.779  -6.539
  359   1H5*    C  34          1H5*        C  34  12.934 -19.205 -12.493
  360   2H5*    C  34          2H5*        C  34  14.287 -20.103 -13.208
  361    H4*    C  34           H4*        C  34  14.603 -17.692 -13.367
  362    H3*    C  34           H3*        C  34  16.583 -19.246 -11.725
  363    H2*    C  34           H2*        C  34  17.754 -17.202 -11.247
  364   2HO*    C  34          2HO*        C  34  17.029 -16.499 -13.590
  365    H1*    C  34           H1*        C  34  15.448 -15.675 -10.762
  366   1H4     C  34          H41         C  34  17.252 -17.645  -5.008
  367   2H4     C  34          H42         C  34  16.295 -19.094  -5.205
  368    H5     C  34           H5         C  34  15.169 -19.652  -7.270
  369    H6     C  34           H6         C  34  14.835 -18.999  -9.601
  370    H3T    C  34           H3T        C  34  16.638 -19.548 -13.884
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  22.939 -11.258   0.916
    2   2H5*    G   1          2H5*        G   1  21.589 -10.112   1.009
    3    H4*    G   1           H4*        G   1  22.513 -10.277  -1.248
    4    H3*    G   1           H3*        G   1  19.658 -11.195  -0.925
    5    H2*    G   1           H2*        G   1  19.619 -11.526  -3.307
    6   2HO*    G   1          2HO*        G   1  21.285  -9.509  -3.289
    7    H1*    G   1           H1*        G   1  22.254 -12.583  -3.415
    8    H8     G   1           H8         G   1  21.051 -14.471  -0.639
    9    H1     G   1           H1         G   1  17.999 -16.219  -6.000
   10   1H2     G   1          1H2         G   1  18.320 -14.732  -7.583
   11   2H2     G   1          2H2         G   1  19.299 -13.300  -7.329
   12    H5T    G   1           H5T        G   1  20.903 -12.727   0.429
   13   1H5*    A   2          1H5*        A   2  19.862  -8.627  -4.051
   14   2H5*    A   2          2H5*        A   2  18.549  -7.435  -4.098
   15    H4*    A   2           H4*        A   2  18.754  -8.619  -6.208
   16    H3*    A   2           H3*        A   2  16.207  -9.031  -4.664
   17    H2*    A   2           H2*        A   2  15.427 -10.501  -6.386
   18   2HO*    A   2          2HO*        A   2  17.141  -8.965  -7.871
   19    H1*    A   2           H1*        A   2  17.957 -11.696  -6.907
   20    H8     A   2           H8         A   2  17.861 -11.921  -3.308
   21   1H6     A   2          H61         A   2  13.904 -16.650  -3.781
   22   2H6     A   2          H62         A   2  14.993 -15.783  -2.723
   23    H2     A   2           H2         A   2  14.060 -14.555  -7.753
   24   1H5*    G   3          1H5*        G   3  15.588  -8.765  -8.642
   25   2H5*    G   3          2H5*        G   3  14.987  -7.123  -8.953
   26    H4*    G   3           H4*        G   3  13.871  -8.299 -10.549
   27    H3*    G   3           H3*        G   3  12.084  -8.164  -8.145
   28    H2*    G   3           H2*        G   3  10.458  -9.525  -9.301
   29   2HO*    G   3          2HO*        G   3  11.584  -8.465 -11.439
   30    H1*    G   3           H1*        G   3  12.287 -11.421 -10.171
   31    H8     G   3           H8         G   3  13.409 -10.037  -6.851
   32    H1     G   3           H1         G   3   9.152 -14.811  -6.428
   33   1H2     G   3          1H2         G   3   8.312 -15.265  -8.393
   34   2H2     G   3          2H2         G   3   8.788 -14.390  -9.831
   35   1H5*    C   4          1H5*        C   4   9.976  -7.589 -11.207
   36   2H5*    C   4          2H5*        C   4   8.938  -6.159 -11.371
   37    H4*    C   4           H4*        C   4   7.489  -7.886 -11.810
   38    H3*    C   4           H3*        C   4   7.209  -7.149  -8.908
   39    H2*    C   4           H2*        C   4   5.509  -8.860  -8.711
   40   2HO*    C   4          2HO*        C   4   4.451  -9.535 -10.436
   41    H1*    C   4           H1*        C   4   7.012 -10.813  -9.986
   42   1H4     C   4          H41         C   4   8.918 -11.435  -3.968
   43   2H4     C   4          H42         C   4   9.896  -9.993  -4.094
   44    H5     C   4           H5         C   4   9.921  -8.590  -6.062
   45    H6     C   4           H6         C   4   8.972  -8.259  -8.281
   46   1H5*    C   5          1H5*        C   5   3.830  -7.889 -10.154
   47   2H5*    C   5          2H5*        C   5   2.435  -7.010  -9.495
   48    H4*    C   5           H4*        C   5   2.424  -9.402  -8.928
   49    H3*    C   5           H3*        C   5   2.586  -7.446  -6.638
   50    H2*    C   5           H2*        C   5   2.517  -9.333  -5.144
   51   2HO*    C   5          2HO*        C   5   1.258 -10.913  -5.807
   52    H1*    C   5           H1*        C   5   4.272 -10.920  -6.706
   53   1H4     C   5          H41         C   5   7.663  -8.397  -1.990
   54   2H4     C   5          H42         C   5   8.196  -7.098  -3.051
   55    H5     C   5           H5         C   5   7.275  -6.829  -5.303
   56    H6     C   5           H6         C   5   5.674  -7.721  -6.918
   57   1H5*    G   6          1H5*        G   6  -0.436 -10.194  -5.829
   58   2H5*    G   6          2H5*        G   6  -1.970  -9.307  -5.921
   59    H4*    G   6           H4*        G   6  -2.397 -10.612  -4.126
   60    H3*    G   6           H3*        G   6  -1.148  -8.118  -3.011
   61    H2*    G   6           H2*        G   6  -1.315  -9.089  -0.802
   62   2HO*    G   6          2HO*        G   6  -2.786 -10.567  -0.419
   63    H1*    G   6           H1*        G   6  -0.213 -11.520  -1.535
   64    H8     G   6           H8         G   6   1.294  -8.818  -3.677
   65    H1     G   6           H1         G   6   4.054  -9.434   2.073
   66   1H2     G   6          1H2         G   6   2.839 -10.757   3.362
   67   2H2     G   6          2H2         G   6   1.355 -11.491   2.801
   68   1H5*    U   7          1H5*        U   7  -4.091  -9.321  -0.707
   69   2H5*    U   7          2H5*        U   7  -5.068  -8.078   0.098
   70    H4*    U   7           H4*        U   7  -4.010  -9.552   1.705
   71    H3*    U   7           H3*        U   7  -3.130  -6.677   1.745
   72    H2*    U   7           H2*        U   7  -1.703  -7.216   3.625
   73   2HO*    U   7          2HO*        U   7  -3.511  -9.129   3.986
   74    H1*    U   7           H1*        U   7  -0.666  -9.537   2.459
   75    H3     U   7           H3         U   7   2.683  -6.521   2.155
   76    H5     U   7           H5         U   7   0.253  -5.801  -1.188
   77    H6     U   7           H6         U   7  -1.393  -7.259  -0.205
   78   1H5*    G   8          1H5*        G   8  -3.535  -7.696   5.179
   79   2H5*    G   8          2H5*        G   8  -4.446  -6.744   6.367
   80    H4*    G   8           H4*        G   8  -2.313  -6.963   7.274
   81    H3*    G   8           H3*        G   8  -2.631  -4.246   6.017
   82    H2*    G   8           H2*        G   8  -0.390  -3.728   6.678
   83   2HO*    G   8          2HO*        G   8  -1.013  -5.240   8.718
   84    H1*    G   8           H1*        G   8   0.636  -6.349   6.199
   85    H8     G   8           H8         G   8  -1.306  -5.407   3.205
   86    H1     G   8           H1         G   8   4.414  -2.523   3.484
   87   1H2     G   8          1H2         G   8   5.318  -2.830   5.470
   88   2H2     G   8          2H2         G   8   4.497  -3.714   6.734
   89   1H5*    U   9          1H5*        U   9  -3.539  -0.340   7.606
   90   2H5*    U   9          2H5*        U   9  -2.986  -1.399   6.293
   91    H4*    U   9           H4*        U   9  -1.136  -0.164   8.320
   92    H3*    U   9           H3*        U   9  -2.127   1.069   5.771
   93    H2*    U   9           H2*        U   9   0.105   1.806   5.261
   94   2HO*    U   9          2HO*        U   9   1.627   1.987   6.788
   95    H1*    U   9           H1*        U   9   1.369  -0.583   5.943
   96    H3     U   9           H3         U   9   1.215  -0.042   1.360
   97    H5     U   9           H5         U   9  -2.134  -2.329   2.435
   98    H6     U   9           H6         U   9  -1.655  -1.812   4.736
   99   1H5*    G  10          1H5*        G  10   0.522   3.336   7.273
  100   2H5*    G  10          2H5*        G  10  -0.180   4.688   8.182
  101    H4*    G  10           H4*        G  10   1.951   5.268   7.132
  102    H3*    G  10           H3*        G  10  -0.503   6.781   6.288
  103    H2*    G  10           H2*        G  10   0.855   8.084   4.790
  104   2HO*    G  10          2HO*        G  10   2.722   7.546   6.593
  105    H1*    G  10           H1*        G  10   2.356   5.913   3.830
  106    H8     G  10           H8         G  10  -1.130   4.671   4.168
  107    H1     G  10           H1         G  10  -0.217   8.349  -1.014
  108   1H2     G  10          1H2         G  10   1.735   9.359  -0.893
  109   2H2     G  10          2H2         G  10   2.807   9.134   0.470
  110   1H5*    C  11          1H5*        C  11   2.166   9.661   7.154
  111   2H5*    C  11          2H5*        C  11   1.745  10.507   8.655
  112    H4*    C  11           H4*        C  11   2.313  12.281   7.377
  113    H3*    C  11           H3*        C  11  -0.625  11.871   6.952
  114    H2*    C  11           H2*        C  11  -0.624  13.654   5.317
  115   2HO*    C  11          2HO*        C  11   1.534  14.421   6.690
  116    H1*    C  11           H1*        C  11   1.539  12.696   3.904
  117   1H4     C  11          H41         C  11  -3.225   9.362   1.350
  118   2H4     C  11          H42         C  11  -3.233   8.282   2.724
  119    H5     C  11           H5         C  11  -1.849   8.606   4.671
  120    H6     C  11           H6         C  11  -0.164  10.031   5.704
  121   1H5*    G  12          1H5*        G  12   0.078  15.690   7.259
  122   2H5*    G  12          2H5*        G  12  -0.960  16.689   8.295
  123    H4*    G  12           H4*        G  12  -0.971  17.694   6.173
  124    H3*    G  12           H3*        G  12  -3.530  16.227   6.741
  125    H2*    G  12           H2*        G  12  -4.345  16.873   4.563
  126   2HO*    G  12          2HO*        G  12  -2.794  18.935   4.934
  127    H1*    G  12           H1*        G  12  -1.999  16.226   3.204
  128    H8     G  12           H8         G  12  -2.513  13.792   6.034
  129    H1     G  12           H1         G  12  -5.761  12.373   0.690
  130   1H2     G  12          1H2         G  12  -5.672  14.053  -0.722
  131   2H2     G  12          2H2         G  12  -4.815  15.530  -0.346
  132   1H5*    A  13          1H5*        A  13  -4.534  19.836   5.199
  133   2H5*    A  13          2H5*        A  13  -5.978  20.577   5.914
  134    H4*    A  13           H4*        A  13  -6.217  20.255   3.514
  135    H3*    A  13           H3*        A  13  -8.100  18.731   5.294
  136    H2*    A  13           H2*        A  13  -9.127  17.785   3.339
  137   2HO*    A  13          2HO*        A  13  -8.288  20.082   2.258
  138    H1*    A  13           H1*        A  13  -6.725  17.342   1.942
  139    H8     A  13           H8         A  13  -6.059  16.360   5.459
  140   1H6     A  13          H61         A  13  -8.733  10.920   4.189
  141   2H6     A  13          H62         A  13  -7.752  11.807   5.336
  142    H2     A  13           H2         A  13  -9.637  13.736   0.820
  143   1H5*    U  14          1H5*        U  14 -10.248  20.072   1.961
  144   2H5*    U  14          2H5*        U  14 -11.459  21.201   2.601
  145    H4*    U  14           H4*        U  14 -12.649  19.912   1.099
  146    H3*    U  14           H3*        U  14 -13.134  18.984   3.890
  147    H2*    U  14           H2*        U  14 -14.457  17.135   3.084
  148   2HO*    U  14          2HO*        U  14 -14.853  18.790   1.043
  149    H1*    U  14           H1*        U  14 -12.696  16.331   1.109
  150    H3     U  14           H3         U  14 -11.689  13.300   4.264
  151    H5     U  14           H5         U  14  -9.992  16.839   5.722
  152    H6     U  14           H6         U  14 -11.059  18.007   3.911
  153   1H5*    G  15          1H5*        G  15 -16.557  18.994   2.468
  154   2H5*    G  15          2H5*        G  15 -17.974  19.589   3.354
  155    H4*    G  15           H4*        G  15 -18.302  17.292   3.131
  156    H3*    G  15           H3*        G  15 -17.425  18.025   5.897
  157    H2*    G  15           H2*        G  15 -17.368  15.704   6.523
  158   2HO*    G  15          2HO*        G  15 -19.267  15.513   4.747
  159    H1*    G  15           H1*        G  15 -16.078  14.794   4.237
  160    H8     G  15           H8         G  15 -14.607  18.142   4.869
  161    H1     G  15           H1         G  15 -12.305  13.597   8.762
  162   1H2     G  15          1H2         G  15 -13.519  11.756   8.592
  163   2H2     G  15          2H2         G  15 -14.901  11.666   7.523
  164   1H5*    A  16          1H5*        A  16 -18.126  17.749   8.380
  165   2H5*    A  16          2H5*        A  16 -18.874  16.314   7.653
  166    H4*    A  16           H4*        A  16 -19.202  17.473  10.377
  167    H3*    A  16           H3*        A  16 -17.799  15.327   9.716
  168    H2*    A  16           H2*        A  16 -19.396  13.949   8.651
  169   2HO*    A  16          2HO*        A  16 -18.959  13.022  10.870
  170    H1*    A  16           H1*        A  16 -21.754  14.705  10.344
  171    H8     A  16           H8         A  16 -20.762  16.119   6.950
  172   1H6     A  16          H61         A  16 -25.092  12.380   4.580
  173   2H6     A  16          H62         A  16 -23.958  13.667   4.225
  174    H2     A  16           H2         A  16 -24.699  11.460   8.944
  175   1H5*    A  17          1H5*        A  17 -15.766  12.289  11.741
  176   2H5*    A  17          2H5*        A  17 -16.433  12.754  10.164
  177    H4*    A  17           H4*        A  17 -17.008  10.355  11.845
  178    H3*    A  17           H3*        A  17 -16.114  10.787   9.023
  179    H2*    A  17           H2*        A  17 -17.324   8.838   8.306
  180   2HO*    A  17          2HO*        A  17 -17.989   8.468  11.063
  181    H1*    A  17           H1*        A  17 -19.672   9.537   9.556
  182    H8     A  17           H8         A  17 -17.587  12.577   8.497
  183   1H6     A  17          H61         A  17 -20.922  12.460   3.288
  184   2H6     A  17          H62         A  17 -19.722  13.345   4.211
  185    H2     A  17           H2         A  17 -21.965   8.820   5.680
  186   1H5*    A  18          1H5*        A  18 -13.660   6.226   9.660
  187   2H5*    A  18          2H5*        A  18 -14.308   7.741   9.004
  188    H4*    A  18           H4*        A  18 -15.560   5.005   8.829
  189    H3*    A  18           H3*        A  18 -14.079   6.637   6.792
  190    H2*    A  18           H2*        A  18 -15.649   5.902   5.104
  191   2HO*    A  18          2HO*        A  18 -15.924   3.845   6.783
  192    H1*    A  18           H1*        A  18 -17.911   6.420   6.615
  193    H8     A  18           H8         A  18 -14.993   8.808   7.303
  194   1H6     A  18          H61         A  18 -17.555  12.435   2.986
  195   2H6     A  18          H62         A  18 -16.295  12.315   4.196
  196    H2     A  18           H2         A  18 -19.811   8.566   3.076
  197   1H5*    G  19          1H5*        G  19 -14.862   3.506   4.806
  198   2H5*    G  19          2H5*        G  19 -13.574   2.932   3.728
  199    H4*    G  19           H4*        G  19 -15.454   3.577   2.411
  200    H3*    G  19           H3*        G  19 -13.044   5.333   2.151
  201    H2*    G  19           H2*        G  19 -14.246   6.793   0.652
  202   2HO*    G  19          2HO*        G  19 -15.607   4.593   0.137
  203    H1*    G  19           H1*        G  19 -16.499   7.018   2.223
  204    H8     G  19           H8         G  19 -13.794   6.498   4.693
  205    H1     G  19           H1         G  19 -13.857  12.448   2.332
  206   1H2     G  19          1H2         G  19 -15.196  12.560   0.571
  207   2H2     G  19          2H2         G  19 -16.070  11.163  -0.018
  208   1H5*    U  20          1H5*        U  20 -14.216   5.528  -1.153
  209   2H5*    U  20          2H5*        U  20 -13.101   5.306  -2.515
  210    H4*    U  20           H4*        U  20 -13.997   7.536  -2.541
  211    H3*    U  20           H3*        U  20 -11.064   7.307  -1.945
  212    H2*    U  20           H2*        U  20 -10.925   9.686  -1.727
  213   2HO*    U  20          2HO*        U  20 -12.281  10.982  -2.762
  214    H1*    U  20           H1*        U  20 -13.401  10.007  -0.395
  215    H3     U  20           H3         U  20  -9.813  11.140   2.297
  216    H5     U  20           H5         U  20 -10.746   7.118   3.069
  217    H6     U  20           H6         U  20 -12.174   7.157   1.134
  218   1H5*    C  21          1H5*        C  21 -11.808  10.523  -4.406
  219   2H5*    C  21          2H5*        C  21 -11.205  10.061  -6.011
  220    H4*    C  21           H4*        C  21 -10.652  12.285  -5.890
  221    H3*    C  21           H3*        C  21  -8.284  10.606  -5.186
  222    H2*    C  21           H2*        C  21  -6.997  12.559  -4.627
  223   2HO*    C  21          2HO*        C  21  -8.614  13.700  -6.388
  224    H1*    C  21           H1*        C  21  -8.957  13.809  -3.128
  225   1H4     C  21          H41         C  21  -6.118  10.217   1.253
  226   2H4     C  21          H42         C  21  -6.958   8.797   0.676
  227    H5     C  21           H5         C  21  -8.373   8.807  -1.282
  228    H6     C  21           H6         C  21  -9.253  10.172  -3.098
  229   1H5*    G  22          1H5*        G  22  -6.831  13.400  -7.112
  230   2H5*    G  22          2H5*        G  22  -6.003  13.095  -8.651
  231    H4*    G  22           H4*        G  22  -4.435  14.335  -7.577
  232    H3*    G  22           H3*        G  22  -3.801  11.470  -6.933
  233    H2*    G  22           H2*        G  22  -1.985  12.227  -5.542
  234   2HO*    G  22          2HO*        G  22  -2.033  14.278  -7.223
  235    H1*    G  22           H1*        G  22  -3.420  14.271  -4.305
  236    H8     G  22           H8         G  22  -5.440  11.113  -5.022
  237    H1     G  22           H1         G  22  -2.410  11.209   0.633
  238   1H2     G  22          1H2         G  22  -1.099  12.958   0.766
  239   2H2     G  22          2H2         G  22  -0.958  14.107  -0.547
  240   1H5*    C  23          1H5*        C  23  -0.513  13.240  -7.545
  241   2H5*    C  23          2H5*        C  23   0.492  12.735  -8.913
  242    H4*    C  23           H4*        C  23   2.058  12.838  -7.292
  243    H3*    C  23           H3*        C  23   1.033  10.018  -7.312
  244    H2*    C  23           H2*        C  23   2.428   9.512  -5.414
  245   2HO*    C  23          2HO*        C  23   3.975  11.322  -6.415
  246    H1*    C  23           H1*        C  23   1.747  11.784  -3.979
  247   1H4     C  23          H41         C  23  -2.670   7.649  -2.120
  248   2H4     C  23          H42         C  23  -3.563   7.880  -3.607
  249    H5     C  23           H5         C  23  -2.746   9.248  -5.429
  250    H6     C  23           H6         C  23  -0.919  10.677  -6.182
  251   1H5*    A  24          1H5*        A  24   4.806   7.178  -9.692
  252   2H5*    A  24          2H5*        A  24   3.193   7.183  -8.951
  253    H4*    A  24           H4*        A  24   5.411   8.865  -7.847
  254    H3*    A  24           H3*        A  24   5.823   6.153  -7.934
  255    H2*    A  24           H2*        A  24   4.009   5.479  -6.529
  256   2HO*    A  24          2HO*        A  24   4.767   5.498  -4.315
  257    H1*    A  24           H1*        A  24   4.347   8.054  -4.903
  258    H8     A  24           H8         A  24   1.181   7.693  -6.725
  259   1H6     A  24          H61         A  24  -1.288   5.275  -1.584
  260   2H6     A  24          H62         A  24  -1.638   5.935  -3.170
  261    H2     A  24           H2         A  24   3.161   5.374  -1.078
  262   1H5*    A  25          1H5*        A  25  10.275   5.358  -7.745
  263   2H5*    A  25          2H5*        A  25   9.372   3.839  -7.894
  264    H4*    A  25           H4*        A  25  10.323   5.246  -5.528
  265    H3*    A  25           H3*        A  25  10.660   2.726  -6.254
  266    H2*    A  25           H2*        A  25   8.411   1.960  -6.335
  267   2HO*    A  25          2HO*        A  25   9.659   1.489  -3.989
  268    H1*    A  25           H1*        A  25   7.540   3.458  -3.853
  269    H8     A  25           H8         A  25   6.928   4.092  -7.562
  270   1H6     A  25          H61         A  25   1.191   1.980  -6.524
  271   2H6     A  25          H62         A  25   2.251   2.723  -7.706
  272    H2     A  25           H2         A  25   3.586   1.442  -2.777
  273   1H5*    G  26          1H5*        G  26  13.656   1.626  -2.162
  274   2H5*    G  26          2H5*        G  26  13.059  -0.003  -2.534
  275    H4*    G  26           H4*        G  26  11.651   2.328  -1.339
  276    H3*    G  26           H3*        G  26  11.653  -0.636  -0.772
  277    H2*    G  26           H2*        G  26   9.512  -0.314   0.274
  278   2HO*    G  26          2HO*        G  26  10.457   2.095   0.738
  279    H1*    G  26           H1*        G  26   8.534   1.340  -1.791
  280    H8     G  26           H8         G  26   7.848  -0.076  -4.017
  281    H1     G  26           H1         G  26   9.346  -5.391  -0.751
  282   1H2     G  26          1H2         G  26  10.553  -4.886   1.025
  283   2H2     G  26          2H2         G  26  10.973  -3.235   1.411
  284   1H5*    C  27          1H5*        C  27  12.204   1.173   3.456
  285   2H5*    C  27          2H5*        C  27  13.340   0.060   4.244
  286    H4*    C  27           H4*        C  27  11.661  -0.046   5.739
  287    H3*    C  27           H3*        C  27  10.885  -2.141   3.713
  288    H2*    C  27           H2*        C  27   8.953  -2.582   5.074
  289   2HO*    C  27          2HO*        C  27  10.594  -1.706   7.004
  290    H1*    C  27           H1*        C  27   8.456   0.154   5.636
  291   1H4     C  27          H41         C  27   4.450  -1.634   1.002
  292   2H4     C  27          H42         C  27   5.473  -0.769  -0.127
  293    H5     C  27           H5         C  27   7.612   0.169   0.498
  294    H6     C  27           H6         C  27   9.230   0.425   2.309
  295   1H5*    A  28          1H5*        A  28  10.757  -3.636   7.433
  296   2H5*    A  28          2H5*        A  28  11.789  -5.047   7.739
  297    H4*    A  28           H4*        A  28   9.843  -5.618   8.809
  298    H3*    A  28           H3*        A  28   9.696  -6.834   6.054
  299    H2*    A  28           H2*        A  28   7.573  -7.803   6.734
  300   2HO*    A  28          2HO*        A  28   8.597  -7.630   9.135
  301    H1*    A  28           H1*        A  28   6.587  -5.386   7.698
  302    H8     A  28           H8         A  28   8.795  -4.380   4.911
  303   1H6     A  28          H61         A  28   4.160  -5.666   1.019
  304   2H6     A  28          H62         A  28   5.729  -4.915   1.202
  305    H2     A  28           H2         A  28   3.110  -7.356   5.054
  306   1H5*    C  29          1H5*        C  29   9.009  -9.854   8.823
  307   2H5*    C  29          2H5*        C  29   9.648 -11.437   8.337
  308    H4*    C  29           H4*        C  29   7.280 -11.575   8.773
  309    H3*    C  29           H3*        C  29   8.132 -12.017   5.929
  310    H2*    C  29           H2*        C  29   5.817 -12.350   5.319
  311   2HO*    C  29          2HO*        C  29   5.613 -13.078   7.856
  312    H1*    C  29           H1*        C  29   4.879 -10.114   6.669
  313   1H4     C  29          H41         C  29   6.401  -7.909   0.930
  314   2H4     C  29          H42         C  29   8.039  -7.581   1.466
  315    H5     C  29           H5         C  29   8.847  -8.264   3.652
  316    H6     C  29           H6         C  29   8.253  -9.392   5.729
  317   1H5*    G  30          1H5*        G  30   5.623 -15.041   6.565
  318   2H5*    G  30          2H5*        G  30   6.140 -16.579   5.846
  319    H4*    G  30           H4*        G  30   4.006 -15.818   4.948
  320    H3*    G  30           H3*        G  30   6.313 -16.044   3.036
  321    H2*    G  30           H2*        G  30   4.899 -15.267   1.262
  322   2HO*    G  30          2HO*        G  30   3.048 -16.485   2.763
  323    H1*    G  30           H1*        G  30   3.466 -13.382   2.840
  324    H8     G  30           H8         G  30   6.959 -12.753   3.717
  325    H1     G  30           H1         G  30   5.469 -10.511  -2.097
  326   1H2     G  30          1H2         G  30   3.533 -11.390  -2.770
  327   2H2     G  30          2H2         G  30   2.638 -12.520  -1.781
  328   1H5*    G  31          1H5*        G  31   2.983 -17.393   1.170
  329   2H5*    G  31          2H5*        G  31   3.081 -19.165   1.198
  330    H4*    G  31           H4*        G  31   2.181 -18.875  -0.853
  331    H3*    G  31           H3*        G  31   5.151 -18.870  -1.247
  332    H2*    G  31           H2*        G  31   4.853 -18.363  -3.578
  333   2HO*    G  31          2HO*        G  31   2.633 -19.699  -3.266
  334    H1*    G  31           H1*        G  31   2.892 -16.413  -3.207
  335    H8     G  31           H8         G  31   5.526 -16.425  -0.473
  336    H1     G  31           H1         G  31   6.902 -12.743  -5.540
  337   1H2     G  31          1H2         G  31   5.483 -13.110  -7.165
  338   2H2     G  31          2H2         G  31   4.184 -14.274  -7.015
  339   1H5*    U  32          1H5*        U  32   3.992 -20.990  -4.292
  340   2H5*    U  32          2H5*        U  32   5.040 -22.373  -4.666
  341    H4*    U  32           H4*        U  32   5.079 -20.821  -6.489
  342    H3*    U  32           H3*        U  32   7.651 -21.013  -4.945
  343    H2*    U  32           H2*        U  32   8.616 -19.389  -6.445
  344   2HO*    U  32          2HO*        U  32   7.892 -19.687  -8.446
  345    H1*    U  32           H1*        U  32   6.422 -17.665  -6.412
  346    H3     U  32           H3         U  32   9.464 -15.476  -3.900
  347    H5     U  32           H5         U  32   8.031 -18.507  -1.373
  348    H6     U  32           H6         U  32   6.820 -19.398  -3.250
  349   1H5*    U  33          1H5*        U  33   8.090 -21.522  -9.204
  350   2H5*    U  33          2H5*        U  33   9.452 -22.560  -9.673
  351    H4*    U  33           H4*        U  33   9.491 -20.374 -10.784
  352    H3*    U  33           H3*        U  33  11.812 -21.036  -8.980
  353    H2*    U  33           H2*        U  33  12.795 -18.918  -9.619
  354   2HO*    U  33          2HO*        U  33  12.277 -18.052 -11.488
  355    H1*    U  33           H1*        U  33  10.451 -17.466  -9.212
  356    H3     U  33           H3         U  33  13.257 -16.626  -5.726
  357    H5     U  33           H5         U  33  11.180 -20.112  -4.666
  358    H6     U  33           H6         U  33  10.309 -20.180  -6.910
  359   1H5*    C  34          1H5*        C  34  13.135 -19.287 -12.505
  360   2H5*    C  34          2H5*        C  34  14.522 -20.168 -13.173
  361    H4*    C  34           H4*        C  34  14.947 -17.773 -13.017
  362    H3*    C  34           H3*        C  34  16.672 -19.598 -11.367
  363    H2*    C  34           H2*        C  34  17.854 -17.690 -10.526
  364   2HO*    C  34          2HO*        C  34  17.701 -15.689 -11.511
  365    H1*    C  34           H1*        C  34  15.569 -16.057 -10.219
  366   1H4     C  34          H41         C  34  16.677 -18.392  -4.427
  367   2H4     C  34          H42         C  34  15.660 -19.769  -4.793
  368    H5     C  34           H5         C  34  14.730 -20.161  -6.987
  369    H6     C  34           H6         C  34  14.669 -19.378  -9.299
  370    H3T    C  34           H3T        C  34  17.502 -17.946 -13.419
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  23.150 -10.177   0.353
    2   2H5*    G   1          2H5*        G   1  21.779  -9.066   0.535
    3    H4*    G   1           H4*        G   1  22.549  -9.223  -1.781
    4    H3*    G   1           H3*        G   1  19.749 -10.209  -1.250
    5    H2*    G   1           H2*        G   1  19.544 -10.566  -3.614
    6   2HO*    G   1          2HO*        G   1  20.515  -9.169  -4.869
    7    H1*    G   1           H1*        G   1  22.203 -11.530  -3.917
    8    H8     G   1           H8         G   1  21.198 -13.449  -1.064
    9    H1     G   1           H1         G   1  17.947 -15.287  -6.276
   10   1H2     G   1          1H2         G   1  18.169 -13.798  -7.878
   11   2H2     G   1          2H2         G   1  19.120 -12.345  -7.666
   12    H5T    G   1           H5T        G   1  21.145 -11.716   0.022
   13   1H5*    A   2          1H5*        A   2  19.623  -7.563  -4.343
   14   2H5*    A   2          2H5*        A   2  18.205  -6.497  -4.336
   15    H4*    A   2           H4*        A   2  18.427  -7.720  -6.433
   16    H3*    A   2           H3*        A   2  15.977  -8.327  -4.785
   17    H2*    A   2           H2*        A   2  15.253  -9.788  -6.556
   18   2HO*    A   2          2HO*        A   2  16.770  -8.089  -8.017
   19    H1*    A   2           H1*        A   2  17.844 -10.833  -7.068
   20    H8     A   2           H8         A   2  17.815 -11.100  -3.476
   21   1H6     A   2          H61         A   2  13.964 -15.922  -3.937
   22   2H6     A   2          H62         A   2  15.059 -15.051  -2.886
   23    H2     A   2           H2         A   2  13.991 -13.776  -7.878
   24   1H5*    G   3          1H5*        G   3  15.157  -8.183  -8.629
   25   2H5*    G   3          2H5*        G   3  14.431  -6.599  -8.966
   26    H4*    G   3           H4*        G   3  13.358  -7.923 -10.485
   27    H3*    G   3           H3*        G   3  11.614  -7.822  -8.038
   28    H2*    G   3           H2*        G   3  10.044  -9.257  -9.173
   29   2HO*    G   3          2HO*        G   3  11.086  -8.115 -11.320
   30    H1*    G   3           H1*        G   3  11.994 -11.008 -10.168
   31    H8     G   3           H8         G   3  12.905  -9.838  -6.709
   32    H1     G   3           H1         G   3   8.874 -14.823  -6.850
   33   1H2     G   3          1H2         G   3   8.125 -15.142  -8.880
   34   2H2     G   3          2H2         G   3   8.620 -14.133 -10.220
   35   1H5*    C   4          1H5*        C   4   9.423  -7.315 -11.091
   36   2H5*    C   4          2H5*        C   4   8.424  -5.857 -11.248
   37    H4*    C   4           H4*        C   4   6.904  -7.493 -11.708
   38    H3*    C   4           H3*        C   4   6.698  -6.951  -8.753
   39    H2*    C   4           H2*        C   4   4.937  -8.613  -8.667
   40   2HO*    C   4          2HO*        C   4   3.867  -9.169 -10.433
   41    H1*    C   4           H1*        C   4   6.380 -10.512 -10.086
   42   1H4     C   4          H41         C   4   8.220 -11.564  -4.108
   43   2H4     C   4          H42         C   4   9.226 -10.139  -4.124
   44    H5     C   4           H5         C   4   9.313  -8.618  -6.001
   45    H6     C   4           H6         C   4   8.425  -8.142  -8.217
   46   1H5*    C   5          1H5*        C   5   3.261  -7.488  -9.982
   47   2H5*    C   5          2H5*        C   5   1.918  -6.599  -9.236
   48    H4*    C   5           H4*        C   5   1.797  -9.016  -8.841
   49    H3*    C   5           H3*        C   5   2.078  -7.224  -6.439
   50    H2*    C   5           H2*        C   5   1.999  -9.187  -5.042
   51   2HO*    C   5          2HO*        C   5   0.585 -10.129  -7.112
   52    H1*    C   5           H1*        C   5   3.687 -10.732  -6.692
   53   1H4     C   5          H41         C   5   7.370  -8.358  -2.110
   54   2H4     C   5          H42         C   5   7.828  -7.032  -3.166
   55    H5     C   5           H5         C   5   6.774  -6.683  -5.337
   56    H6     C   5           H6         C   5   5.083  -7.520  -6.887
   57   1H5*    G   6          1H5*        G   6  -0.708 -10.038  -5.506
   58   2H5*    G   6          2H5*        G   6  -2.279  -9.218  -5.613
   59    H4*    G   6           H4*        G   6  -2.657 -10.504  -3.796
   60    H3*    G   6           H3*        G   6  -1.507  -7.943  -2.735
   61    H2*    G   6           H2*        G   6  -1.586  -8.865  -0.510
   62   2HO*    G   6          2HO*        G   6  -3.108 -10.271  -0.090
   63    H1*    G   6           H1*        G   6  -0.485 -11.323  -1.208
   64    H8     G   6           H8         G   6   0.885  -8.397  -3.224
   65    H1     G   6           H1         G   6   4.027  -9.653   2.224
   66   1H2     G   6          1H2         G   6   2.944 -11.163   3.397
   67   2H2     G   6          2H2         G   6   1.434 -11.856   2.848
   68   1H5*    U   7          1H5*        U   7  -4.664  -9.032  -0.361
   69   2H5*    U   7          2H5*        U   7  -5.513  -7.659   0.377
   70    H4*    U   7           H4*        U   7  -4.537  -9.155   2.042
   71    H3*    U   7           H3*        U   7  -3.449  -6.346   1.962
   72    H2*    U   7           H2*        U   7  -2.104  -6.937   3.896
   73   2HO*    U   7          2HO*        U   7  -2.728  -8.524   5.163
   74    H1*    U   7           H1*        U   7  -1.184  -9.316   2.754
   75    H3     U   7           H3         U   7   2.304  -6.491   2.375
   76    H5     U   7           H5         U   7  -0.164  -5.589  -0.898
   77    H6     U   7           H6         U   7  -1.858  -6.987   0.096
   78   1H5*    G   8          1H5*        G   8  -4.052  -7.178   5.504
   79   2H5*    G   8          2H5*        G   8  -4.850  -6.035   6.601
   80    H4*    G   8           H4*        G   8  -2.759  -6.523   7.551
   81    H3*    G   8           H3*        G   8  -2.728  -3.806   6.246
   82    H2*    G   8           H2*        G   8  -0.467  -3.553   6.996
   83   2HO*    G   8          2HO*        G   8  -1.235  -4.774   9.071
   84    H1*    G   8           H1*        G   8   0.254  -6.270   6.525
   85    H8     G   8           H8         G   8  -1.441  -5.249   3.449
   86    H1     G   8           H1         G   8   4.370  -2.600   4.010
   87   1H2     G   8          1H2         G   8   5.166  -2.949   6.030
   88   2H2     G   8          2H2         G   8   4.246  -3.786   7.257
   89   1H5*    U   9          1H5*        U   9  -3.749   0.060   7.898
   90   2H5*    U   9          2H5*        U   9  -3.412  -0.042   6.160
   91    H4*    U   9           H4*        U   9  -1.567   0.241   8.460
   92    H3*    U   9           H3*        U   9  -1.862   1.520   5.784
   93    H2*    U   9           H2*        U   9   0.515   1.710   5.506
   94   2HO*    U   9          2HO*        U   9   0.474   1.828   8.139
   95    H1*    U   9           H1*        U   9   1.165  -0.845   6.318
   96    H3     U   9           H3         U   9   1.094  -0.355   1.676
   97    H5     U   9           H5         U   9  -2.444  -2.282   2.845
   98    H6     U   9           H6         U   9  -1.917  -1.706   5.121
   99   1H5*    G  10          1H5*        G  10   0.977   3.662   7.114
  100   2H5*    G  10          2H5*        G  10   0.245   4.939   8.106
  101    H4*    G  10           H4*        G  10   2.295   5.731   7.144
  102    H3*    G  10           H3*        G  10  -0.206   7.031   6.109
  103    H2*    G  10           H2*        G  10   1.133   8.408   4.665
  104   2HO*    G  10          2HO*        G  10   2.977   7.908   6.585
  105    H1*    G  10           H1*        G  10   2.873   6.358   3.858
  106    H8     G  10           H8         G  10  -0.586   4.949   4.077
  107    H1     G  10           H1         G  10   0.551   8.207  -1.335
  108   1H2     G  10          1H2         G  10   2.437   9.304  -1.179
  109   2H2     G  10          2H2         G  10   3.428   9.255   0.265
  110   1H5*    C  11          1H5*        C  11   2.306   9.992   7.086
  111   2H5*    C  11          2H5*        C  11   1.764  10.966   8.466
  112    H4*    C  11           H4*        C  11   2.474  12.609   7.077
  113    H3*    C  11           H3*        C  11  -0.440  12.220   6.499
  114    H2*    C  11           H2*        C  11  -0.293  13.836   4.707
  115   2HO*    C  11          2HO*        C  11   1.708  14.766   6.144
  116    H1*    C  11           H1*        C  11   1.940  12.725   3.537
  117   1H4     C  11          H41         C  11  -2.749   9.291   0.978
  118   2H4     C  11          H42         C  11  -2.843   8.304   2.415
  119    H5     C  11           H5         C  11  -1.547   8.747   4.406
  120    H6     C  11           H6         C  11   0.099  10.228   5.425
  121   1H5*    G  12          1H5*        G  12   0.148  15.984   6.503
  122   2H5*    G  12          2H5*        G  12  -0.799  17.052   7.557
  123    H4*    G  12           H4*        G  12  -1.030  18.009   5.471
  124    H3*    G  12           H3*        G  12  -3.453  16.328   6.046
  125    H2*    G  12           H2*        G  12  -4.336  16.943   3.882
  126   2HO*    G  12          2HO*        G  12  -2.906  19.099   4.260
  127    H1*    G  12           H1*        G  12  -1.969  16.446   2.507
  128    H8     G  12           H8         G  12  -2.108  13.966   5.293
  129    H1     G  12           H1         G  12  -5.749  12.382   0.260
  130   1H2     G  12          1H2         G  12  -5.962  14.094  -1.096
  131   2H2     G  12          2H2         G  12  -5.189  15.632  -0.781
  132   1H5*    A  13          1H5*        A  13  -4.848  19.298   4.351
  133   2H5*    A  13          2H5*        A  13  -6.349  20.010   4.975
  134    H4*    A  13           H4*        A  13  -6.645  19.208   2.714
  135    H3*    A  13           H3*        A  13  -8.214  17.746   4.827
  136    H2*    A  13           H2*        A  13  -9.160  16.380   3.102
  137   2HO*    A  13          2HO*        A  13  -8.730  18.621   1.664
  138    H1*    A  13           H1*        A  13  -6.778  16.232   1.543
  139    H8     A  13           H8         A  13  -5.717  15.427   4.970
  140   1H6     A  13          H61         A  13  -7.893   9.691   4.076
  141   2H6     A  13          H62         A  13  -6.886  10.703   5.087
  142    H2     A  13           H2         A  13  -9.496  12.320   0.814
  143   1H5*    U  14          1H5*        U  14 -10.565  18.512   1.382
  144   2H5*    U  14          2H5*        U  14 -11.839  19.617   1.935
  145    H4*    U  14           H4*        U  14 -12.964  18.176   0.536
  146    H3*    U  14           H3*        U  14 -13.371  17.364   3.378
  147    H2*    U  14           H2*        U  14 -14.600  15.409   2.670
  148   2HO*    U  14          2HO*        U  14 -15.063  16.941   0.532
  149    H1*    U  14           H1*        U  14 -12.803  14.610   0.726
  150    H3     U  14           H3         U  14 -11.676  11.800   4.056
  151    H5     U  14           H5         U  14 -10.095  15.480   5.279
  152    H6     U  14           H6         U  14 -11.221  16.499   3.414
  153   1H5*    G  15          1H5*        G  15 -16.954  17.183   2.081
  154   2H5*    G  15          2H5*        G  15 -18.288  17.715   3.123
  155    H4*    G  15           H4*        G  15 -18.471  15.375   2.881
  156    H3*    G  15           H3*        G  15 -17.550  16.238   5.595
  157    H2*    G  15           H2*        G  15 -17.310  13.936   6.268
  158   2HO*    G  15          2HO*        G  15 -19.207  13.580   4.473
  159    H1*    G  15           H1*        G  15 -15.986  13.093   3.989
  160    H8     G  15           H8         G  15 -14.811  16.576   4.416
  161    H1     G  15           H1         G  15 -12.061  12.485   8.515
  162   1H2     G  15          1H2         G  15 -13.119  10.534   8.476
  163   2H2     G  15          2H2         G  15 -14.506  10.275   7.449
  164   1H5*    A  16          1H5*        A  16 -18.121  15.760   8.091
  165   2H5*    A  16          2H5*        A  16 -18.804  14.268   7.418
  166    H4*    A  16           H4*        A  16 -19.077  15.433  10.150
  167    H3*    A  16           H3*        A  16 -17.502  13.427   9.427
  168    H2*    A  16           H2*        A  16 -19.004  11.863   8.493
  169   2HO*    A  16          2HO*        A  16 -18.370  11.028  10.688
  170    H1*    A  16           H1*        A  16 -21.338  12.429  10.283
  171    H8     A  16           H8         A  16 -20.669  13.872   6.826
  172   1H6     A  16          H61         A  16 -24.680   9.643   4.733
  173   2H6     A  16          H62         A  16 -23.713  11.039   4.303
  174    H2     A  16           H2         A  16 -23.964   8.848   9.079
  175   1H5*    A  17          1H5*        A  17 -15.142  10.476  11.607
  176   2H5*    A  17          2H5*        A  17 -15.777  10.893  10.003
  177    H4*    A  17           H4*        A  17 -16.349   8.513  11.723
  178    H3*    A  17           H3*        A  17 -15.254   8.888   8.976
  179    H2*    A  17           H2*        A  17 -16.494   7.025   8.126
  180   2HO*    A  17          2HO*        A  17 -16.517   5.412   9.526
  181    H1*    A  17           H1*        A  17 -18.889   7.538   9.446
  182    H8     A  17           H8         A  17 -17.074  10.688   8.261
  183   1H6     A  17          H61         A  17 -20.541  10.198   3.158
  184   2H6     A  17          H62         A  17 -19.392  11.197   4.028
  185    H2     A  17           H2         A  17 -21.207   6.533   5.644
  186   1H5*    A  18          1H5*        A  18 -14.032   4.812  10.048
  187   2H5*    A  18          2H5*        A  18 -12.636   4.337   9.061
  188    H4*    A  18           H4*        A  18 -14.688   3.029   8.619
  189    H3*    A  18           H3*        A  18 -13.277   4.486   6.427
  190    H2*    A  18           H2*        A  18 -14.995   3.904   4.850
  191   2HO*    A  18          2HO*        A  18 -15.258   1.816   6.466
  192    H1*    A  18           H1*        A  18 -17.157   4.465   6.496
  193    H8     A  18           H8         A  18 -14.197   6.816   7.057
  194   1H6     A  18          H61         A  18 -16.902  10.480   2.863
  195   2H6     A  18          H62         A  18 -15.603  10.349   4.031
  196    H2     A  18           H2         A  18 -19.149   6.608   2.984
  197   1H5*    G  19          1H5*        G  19 -14.288   1.644   4.429
  198   2H5*    G  19          2H5*        G  19 -13.038   0.881   3.427
  199    H4*    G  19           H4*        G  19 -14.585   1.749   1.916
  200    H3*    G  19           H3*        G  19 -12.191   3.562   2.107
  201    H2*    G  19           H2*        G  19 -13.224   4.967   0.421
  202   2HO*    G  19          2HO*        G  19 -14.404   2.735  -0.282
  203    H1*    G  19           H1*        G  19 -15.660   5.088   1.723
  204    H8     G  19           H8         G  19 -13.106   4.713   4.414
  205    H1     G  19           H1         G  19 -13.446  10.661   2.049
  206   1H2     G  19          1H2         G  19 -14.677  10.684   0.218
  207   2H2     G  19          2H2         G  19 -15.428   9.235  -0.407
  208   1H5*    U  20          1H5*        U  20 -12.963   3.662  -1.403
  209   2H5*    U  20          2H5*        U  20 -11.649   3.621  -2.594
  210    H4*    U  20           H4*        U  20 -12.908   5.712  -2.670
  211    H3*    U  20           H3*        U  20  -9.998   5.886  -1.920
  212    H2*    U  20           H2*        U  20 -10.234   8.274  -1.780
  213   2HO*    U  20          2HO*        U  20 -12.078   7.843  -3.626
  214    H1*    U  20           H1*        U  20 -12.752   8.218  -0.506
  215    H3     U  20           H3         U  20  -9.433   9.871   2.264
  216    H5     U  20           H5         U  20  -9.715   5.748   2.995
  217    H6     U  20           H6         U  20 -11.124   5.574   1.051
  218   1H5*    C  21          1H5*        C  21 -11.016   8.917  -4.614
  219   2H5*    C  21          2H5*        C  21 -10.240   8.449  -6.140
  220    H4*    C  21           H4*        C  21  -9.977  10.720  -6.161
  221    H3*    C  21           H3*        C  21  -7.495   9.443  -5.118
  222    H2*    C  21           H2*        C  21  -6.542  11.565  -4.531
  223   2HO*    C  21          2HO*        C  21  -7.050  13.237  -5.729
  224    H1*    C  21           H1*        C  21  -8.801  12.639  -3.350
  225   1H4     C  21          H41         C  21  -6.059   9.688   1.541
  226   2H4     C  21          H42         C  21  -6.738   8.159   1.034
  227    H5     C  21           H5         C  21  -7.941   7.886  -1.050
  228    H6     C  21           H6         C  21  -8.794   9.033  -3.024
  229   1H5*    G  22          1H5*        G  22  -6.286  12.556  -7.259
  230   2H5*    G  22          2H5*        G  22  -5.581  12.051  -8.807
  231    H4*    G  22           H4*        G  22  -4.137  13.699  -8.218
  232    H3*    G  22           H3*        G  22  -3.006  11.111  -7.265
  233    H2*    G  22           H2*        G  22  -1.256  12.226  -6.051
  234   2HO*    G  22          2HO*        G  22  -1.659  14.092  -7.900
  235    H1*    G  22           H1*        G  22  -2.840  14.120  -4.842
  236    H8     G  22           H8         G  22  -4.683  10.847  -5.507
  237    H1     G  22           H1         G  22  -1.642  11.167   0.127
  238   1H2     G  22          1H2         G  22  -0.421  12.990   0.232
  239   2H2     G  22          2H2         G  22  -0.348  14.132  -1.090
  240   1H5*    C  23          1H5*        C  23   0.033  12.993  -7.989
  241   2H5*    C  23          2H5*        C  23   1.103  12.442  -9.290
  242    H4*    C  23           H4*        C  23   2.562  12.689  -7.558
  243    H3*    C  23           H3*        C  23   1.722   9.819  -7.717
  244    H2*    C  23           H2*        C  23   2.944   9.315  -5.720
  245   2HO*    C  23          2HO*        C  23   4.654  10.921  -6.516
  246    H1*    C  23           H1*        C  23   2.203  11.615  -4.311
  247   1H4     C  23          H41         C  23  -2.059   7.365  -2.358
  248   2H4     C  23          H42         C  23  -2.974   7.559  -3.836
  249    H5     C  23           H5         C  23  -2.209   8.921  -5.686
  250    H6     C  23           H6         C  23  -0.433  10.398  -6.472
  251   1H5*    A  24          1H5*        A  24   4.910   7.262  -9.944
  252   2H5*    A  24          2H5*        A  24   4.078   6.362  -8.660
  253    H4*    A  24           H4*        A  24   5.810   8.806  -8.428
  254    H3*    A  24           H3*        A  24   6.719   6.317  -8.230
  255    H2*    A  24           H2*        A  24   5.200   5.467  -6.572
  256   2HO*    A  24          2HO*        A  24   6.265   5.879  -4.448
  257    H1*    A  24           H1*        A  24   5.352   8.046  -4.958
  258    H8     A  24           H8         A  24   2.243   6.990  -6.817
  259   1H6     A  24          H61         A  24   0.158   4.897  -1.373
  260   2H6     A  24          H62         A  24  -0.266   5.232  -3.043
  261    H2     A  24           H2         A  24   4.462   6.023  -0.871
  262   1H5*    A  25          1H5*        A  25  12.008   7.952  -6.050
  263   2H5*    A  25          2H5*        A  25  11.442   6.363  -6.601
  264    H4*    A  25           H4*        A  25  12.256   6.578  -4.205
  265    H3*    A  25           H3*        A  25  10.405   4.834  -5.245
  266    H2*    A  25           H2*        A  25   8.410   5.747  -4.386
  267   2HO*    A  25          2HO*        A  25   9.678   4.207  -2.518
  268    H1*    A  25           H1*        A  25   9.786   6.944  -1.948
  269    H8     A  25           H8         A  25   8.292   8.425  -5.113
  270   1H6     A  25          H61         A  25   3.725  10.572  -1.524
  271   2H6     A  25          H62         A  25   4.414  10.583  -3.133
  272    H2     A  25           H2         A  25   6.375   7.967   0.989
  273   1H5*    G  26          1H5*        G  26  13.292   1.662  -2.213
  274   2H5*    G  26          2H5*        G  26  11.967   0.527  -1.897
  275    H4*    G  26           H4*        G  26  12.604   3.015  -0.611
  276    H3*    G  26           H3*        G  26  10.834   0.684  -0.005
  277    H2*    G  26           H2*        G  26   9.494   2.038   1.474
  278   2HO*    G  26          2HO*        G  26  11.717   3.368   1.779
  279    H1*    G  26           H1*        G  26   9.186   4.148  -0.269
  280    H8     G  26           H8         G  26   7.535   3.661  -2.335
  281    H1     G  26           H1         G  26   7.105  -2.408  -0.307
  282   1H2     G  26          1H2         G  26   8.724  -2.851   1.129
  283   2H2     G  26          2H2         G  26   9.893  -1.639   1.596
  284   1H5*    C  27          1H5*        C  27  11.637   1.546   4.105
  285   2H5*    C  27          2H5*        C  27  12.882   0.334   4.467
  286    H4*    C  27           H4*        C  27  11.553   0.040   6.268
  287    H3*    C  27           H3*        C  27  10.396  -1.804   4.187
  288    H2*    C  27           H2*        C  27   8.755  -2.471   5.830
  289   2HO*    C  27          2HO*        C  27  10.675  -1.699   7.523
  290    H1*    C  27           H1*        C  27   8.193   0.147   6.642
  291   1H4     C  27          H41         C  27   4.125  -1.407   1.947
  292   2H4     C  27          H42         C  27   5.051  -0.369   0.890
  293    H5     C  27           H5         C  27   7.135   0.659   1.561
  294    H6     C  27           H6         C  27   8.777   0.855   3.352
  295   1H5*    A  28          1H5*        A  28  10.818  -3.707   7.537
  296   2H5*    A  28          2H5*        A  28  11.712  -5.238   7.588
  297    H4*    A  28           H4*        A  28   9.712  -5.584   8.772
  298    H3*    A  28           H3*        A  28   9.592  -6.860   6.045
  299    H2*    A  28           H2*        A  28   7.414  -7.717   6.655
  300   2HO*    A  28          2HO*        A  28   8.424  -7.504   9.109
  301    H1*    A  28           H1*        A  28   6.522  -5.285   7.725
  302    H8     A  28           H8         A  28   8.473  -4.134   4.858
  303   1H6     A  28          H61         A  28   3.723  -5.647   1.192
  304   2H6     A  28          H62         A  28   5.246  -4.793   1.302
  305    H2     A  28           H2         A  28   3.033  -7.524   5.213
  306   1H5*    C  29          1H5*        C  29   9.164 -10.181   8.886
  307   2H5*    C  29          2H5*        C  29   9.892 -11.639   8.183
  308    H4*    C  29           H4*        C  29   7.551 -11.973   8.777
  309    H3*    C  29           H3*        C  29   8.327 -12.240   5.895
  310    H2*    C  29           H2*        C  29   6.022 -12.659   5.312
  311   2HO*    C  29          2HO*        C  29   5.901 -13.658   7.699
  312    H1*    C  29           H1*        C  29   4.975 -10.567   6.812
  313   1H4     C  29          H41         C  29   6.229  -7.885   1.201
  314   2H4     C  29          H42         C  29   7.830  -7.453   1.765
  315    H5     C  29           H5         C  29   8.719  -8.213   3.884
  316    H6     C  29           H6         C  29   8.249  -9.522   5.888
  317   1H5*    G  30          1H5*        G  30   5.891 -15.265   6.458
  318   2H5*    G  30          2H5*        G  30   6.377 -16.789   5.688
  319    H4*    G  30           H4*        G  30   4.228 -15.984   4.862
  320    H3*    G  30           H3*        G  30   6.486 -16.179   2.887
  321    H2*    G  30           H2*        G  30   5.042 -15.343   1.174
  322   2HO*    G  30          2HO*        G  30   3.018 -15.972   1.211
  323    H1*    G  30           H1*        G  30   3.599 -13.545   2.867
  324    H8     G  30           H8         G  30   7.102 -12.815   3.587
  325    H1     G  30           H1         G  30   5.261 -10.515  -2.107
  326   1H2     G  30          1H2         G  30   3.334 -11.431  -2.703
  327   2H2     G  30          2H2         G  30   2.523 -12.612  -1.706
  328   1H5*    G  31          1H5*        G  31   2.998 -17.685   1.153
  329   2H5*    G  31          2H5*        G  31   3.233 -19.443   1.108
  330    H4*    G  31           H4*        G  31   2.195 -19.129  -0.882
  331    H3*    G  31           H3*        G  31   5.138 -18.980  -1.402
  332    H2*    G  31           H2*        G  31   4.726 -18.399  -3.703
  333   2HO*    G  31          2HO*        G  31   2.565 -19.808  -3.369
  334    H1*    G  31           H1*        G  31   2.784 -16.490  -3.177
  335    H8     G  31           H8         G  31   5.444 -16.701  -0.469
  336    H1     G  31           H1         G  31   6.769 -12.644  -5.257
  337   1H2     G  31          1H2         G  31   5.308 -12.858  -6.873
  338   2H2     G  31          2H2         G  31   4.001 -14.019  -6.788
  339   1H5*    U  32          1H5*        U  32   4.129 -21.091  -4.533
  340   2H5*    U  32          2H5*        U  32   5.323 -22.348  -4.913
  341    H4*    U  32           H4*        U  32   5.242 -20.684  -6.662
  342    H3*    U  32           H3*        U  32   7.801 -20.832  -5.094
  343    H2*    U  32           H2*        U  32   8.694 -19.056  -6.452
  344   2HO*    U  32          2HO*        U  32   7.994 -19.347  -8.486
  345    H1*    U  32           H1*        U  32   6.417 -17.455  -6.328
  346    H3     U  32           H3         U  32   9.390 -15.395  -3.625
  347    H5     U  32           H5         U  32   7.928 -18.596  -1.324
  348    H6     U  32           H6         U  32   6.775 -19.374  -3.287
  349   1H5*    U  33          1H5*        U  33   8.236 -21.030  -9.467
  350   2H5*    U  33          2H5*        U  33   9.658 -21.973  -9.956
  351    H4*    U  33           H4*        U  33   9.560 -19.787 -11.048
  352    H3*    U  33           H3*        U  33  11.912 -20.280  -9.229
  353    H2*    U  33           H2*        U  33  12.751 -18.109  -9.905
  354   2HO*    U  33          2HO*        U  33  11.416 -18.597 -12.097
  355    H1*    U  33           H1*        U  33  10.307 -16.822  -9.521
  356    H3     U  33           H3         U  33  13.008 -15.681  -6.036
  357    H5     U  33           H5         U  33  11.257 -19.330  -4.935
  358    H6     U  33           H6         U  33  10.397 -19.504  -7.175
  359   1H5*    C  34          1H5*        C  34  13.238 -18.653 -12.740
  360   2H5*    C  34          2H5*        C  34  14.679 -19.470 -13.377
  361    H4*    C  34           H4*        C  34  14.980 -17.054 -13.235
  362    H3*    C  34           H3*        C  34  16.767 -18.767 -11.528
  363    H2*    C  34           H2*        C  34  17.841 -16.781 -10.718
  364   2HO*    C  34          2HO*        C  34  17.351 -15.882 -13.092
  365    H1*    C  34           H1*        C  34  15.464 -15.273 -10.466
  366   1H4     C  34          H41         C  34  16.672 -17.439  -4.626
  367   2H4     C  34          H42         C  34  15.685 -18.846  -4.955
  368    H5     C  34           H5         C  34  14.767 -19.318  -7.143
  369    H6     C  34           H6         C  34  14.675 -18.582  -9.470
  370    H3T    C  34           H3T        C  34  17.094 -18.878 -13.679
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  24.155 -11.663  -0.222
    2   2H5*    G   1          2H5*        G   1  22.898 -10.435   0.012
    3    H4*    G   1           H4*        G   1  23.529 -10.682  -2.337
    4    H3*    G   1           H3*        G   1  20.686 -11.414  -1.648
    5    H2*    G   1           H2*        G   1  20.327 -11.782  -3.995
    6   2HO*    G   1          2HO*        G   1  21.979  -9.835  -4.286
    7    H1*    G   1           H1*        G   1  22.870 -12.983  -4.414
    8    H8     G   1           H8         G   1  21.894 -14.780  -1.486
    9    H1     G   1           H1         G   1  18.149 -16.372  -6.441
   10   1H2     G   1          1H2         G   1  18.363 -14.889  -8.065
   11   2H2     G   1          2H2         G   1  19.438 -13.517  -7.925
   12    H5T    G   1           H5T        G   1  21.954 -12.986  -0.438
   13   1H5*    A   2          1H5*        A   2  20.540  -8.480  -4.649
   14   2H5*    A   2          2H5*        A   2  19.154  -7.386  -4.477
   15    H4*    A   2           H4*        A   2  19.220  -8.488  -6.661
   16    H3*    A   2           H3*        A   2  16.838  -9.113  -4.917
   17    H2*    A   2           H2*        A   2  15.971 -10.414  -6.759
   18   2HO*    A   2          2HO*        A   2  17.563  -8.734  -8.166
   19    H1*    A   2           H1*        A   2  18.446 -11.622  -7.353
   20    H8     A   2           H8         A   2  18.499 -11.754  -3.717
   21   1H6     A   2          H61         A   2  14.450 -16.432  -3.942
   22   2H6     A   2          H62         A   2  15.585 -15.557  -2.937
   23    H2     A   2           H2         A   2  14.549 -14.473  -7.980
   24   1H5*    G   3          1H5*        G   3  15.910  -8.682  -8.717
   25   2H5*    G   3          2H5*        G   3  15.035  -7.159  -8.970
   26    H4*    G   3           H4*        G   3  14.114  -8.682 -10.487
   27    H3*    G   3           H3*        G   3  12.299  -8.308  -8.117
   28    H2*    G   3           H2*        G   3  10.739  -9.819  -9.159
   29   2HO*    G   3          2HO*        G   3  11.848  -8.895 -11.370
   30    H1*    G   3           H1*        G   3  12.682 -11.684  -9.939
   31    H8     G   3           H8         G   3  13.301 -10.103  -6.539
   32    H1     G   3           H1         G   3   9.602 -15.344  -6.478
   33   1H2     G   3          1H2         G   3   9.105 -15.948  -8.520
   34   2H2     G   3          2H2         G   3   9.675 -15.059  -9.915
   35   1H5*    C   4          1H5*        C   4   9.973  -8.498 -11.426
   36   2H5*    C   4          2H5*        C   4   9.324  -6.868 -11.691
   37    H4*    C   4           H4*        C   4   7.467  -8.092 -12.111
   38    H3*    C   4           H3*        C   4   7.404  -7.466  -9.178
   39    H2*    C   4           H2*        C   4   5.387  -8.786  -8.966
   40   2HO*    C   4          2HO*        C   4   5.066  -8.149 -11.484
   41    H1*    C   4           H1*        C   4   6.392 -10.978 -10.305
   42   1H4     C   4          H41         C   4   8.573 -12.009  -4.437
   43   2H4     C   4          H42         C   4   9.789 -10.772  -4.636
   44    H5     C   4           H5         C   4   9.947  -9.391  -6.601
   45    H6     C   4           H6         C   4   8.948  -8.879  -8.760
   46   1H5*    C   5          1H5*        C   5   3.877  -7.381 -10.187
   47   2H5*    C   5          2H5*        C   5   2.792  -6.227  -9.387
   48    H4*    C   5           H4*        C   5   2.268  -8.561  -8.847
   49    H3*    C   5           H3*        C   5   3.104  -6.786  -6.559
   50    H2*    C   5           H2*        C   5   2.744  -8.661  -5.087
   51   2HO*    C   5          2HO*        C   5   0.968  -9.325  -6.931
   52    H1*    C   5           H1*        C   5   3.960 -10.542  -6.807
   53   1H4     C   5          H41         C   5   8.332  -8.822  -2.533
   54   2H4     C   5          H42         C   5   8.938  -7.612  -3.650
   55    H5     C   5           H5         C   5   7.828  -7.108  -5.754
   56    H6     C   5           H6         C   5   5.915  -7.641  -7.174
   57   1H5*    G   6          1H5*        G   6  -0.734  -8.772  -5.916
   58   2H5*    G   6          2H5*        G   6  -1.921  -7.501  -5.566
   59    H4*    G   6           H4*        G   6  -2.455  -9.280  -4.146
   60    H3*    G   6           H3*        G   6  -1.067  -7.060  -2.689
   61    H2*    G   6           H2*        G   6  -1.128  -8.351  -0.654
   62   2HO*    G   6          2HO*        G   6  -2.552  -9.916  -0.381
   63    H1*    G   6           H1*        G   6  -0.222 -10.708  -1.789
   64    H8     G   6           H8         G   6   1.426  -7.967  -3.707
   65    H1     G   6           H1         G   6   4.183  -9.119   1.960
   66   1H2     G   6          1H2         G   6   2.896 -10.451   3.174
   67   2H2     G   6          2H2         G   6   1.363 -11.049   2.588
   68   1H5*    U   7          1H5*        U   7  -3.803  -8.660  -0.401
   69   2H5*    U   7          2H5*        U   7  -4.867  -7.544   0.476
   70    H4*    U   7           H4*        U   7  -3.842  -9.099   2.001
   71    H3*    U   7           H3*        U   7  -2.990  -6.231   2.294
   72    H2*    U   7           H2*        U   7  -1.614  -6.900   4.169
   73   2HO*    U   7          2HO*        U   7  -3.410  -8.824   4.361
   74    H1*    U   7           H1*        U   7  -0.507  -9.108   2.863
   75    H3     U   7           H3         U   7   2.821  -6.054   2.834
   76    H5     U   7           H5         U   7   0.415  -5.061  -0.453
   77    H6     U   7           H6         U   7  -1.225  -6.625   0.372
   78   1H5*    G   8          1H5*        G   8  -3.655  -7.288   5.805
   79   2H5*    G   8          2H5*        G   8  -4.534  -6.181   6.878
   80    H4*    G   8           H4*        G   8  -2.385  -6.530   7.804
   81    H3*    G   8           H3*        G   8  -2.660  -3.800   6.562
   82    H2*    G   8           H2*        G   8  -0.419  -3.324   7.254
   83   2HO*    G   8          2HO*        G   8  -1.058  -4.790   9.288
   84    H1*    G   8           H1*        G   8   0.568  -5.948   6.724
   85    H8     G   8           H8         G   8  -1.257  -5.125   3.685
   86    H1     G   8           H1         G   8   4.158  -1.735   4.218
   87   1H2     G   8          1H2         G   8   4.961  -1.894   6.255
   88   2H2     G   8          2H2         G   8   4.159  -2.839   7.489
   89   1H5*    U   9          1H5*        U   9  -3.406   0.097   7.948
   90   2H5*    U   9          2H5*        U   9  -3.076  -1.036   6.623
   91    H4*    U   9           H4*        U   9  -0.944   0.273   8.302
   92    H3*    U   9           H3*        U   9  -2.253   1.318   5.822
   93    H2*    U   9           H2*        U   9  -0.118   1.912   4.900
   94   2HO*    U   9          2HO*        U   9   1.328   2.573   6.306
   95    H1*    U   9           H1*        U   9   1.203  -0.434   5.612
   96    H3     U   9           H3         U   9   0.205  -0.205   1.074
   97    H5     U   9           H5         U   9  -2.712  -2.592   2.917
   98    H6     U   9           H6         U   9  -1.859  -1.859   5.045
   99   1H5*    G  10          1H5*        G  10   0.673   3.699   7.449
  100   2H5*    G  10          2H5*        G  10  -0.054   5.126   8.212
  101    H4*    G  10           H4*        G  10   2.193   5.569   7.366
  102    H3*    G  10           H3*        G  10  -0.109   7.129   6.263
  103    H2*    G  10           H2*        G  10   1.334   8.244   4.706
  104   2HO*    G  10          2HO*        G  10   3.091   7.979   6.591
  105    H1*    G  10           H1*        G  10   2.803   5.992   3.951
  106    H8     G  10           H8         G  10  -0.634   4.696   4.336
  107    H1     G  10           H1         G  10   0.146   8.142  -1.018
  108   1H2     G  10          1H2         G  10   2.064   9.242  -0.944
  109   2H2     G  10          2H2         G  10   3.137   9.122   0.433
  110   1H5*    C  11          1H5*        C  11   2.547  10.296   7.176
  111   2H5*    C  11          2H5*        C  11   1.827  11.135   8.565
  112    H4*    C  11           H4*        C  11   2.403  12.878   7.195
  113    H3*    C  11           H3*        C  11  -0.484  12.224   6.728
  114    H2*    C  11           H2*        C  11  -0.577  13.901   4.989
  115   2HO*    C  11          2HO*        C  11   1.447  14.934   6.373
  116    H1*    C  11           H1*        C  11   1.701  13.057   3.688
  117   1H4     C  11          H41         C  11  -2.808   9.313   1.228
  118   2H4     C  11          H42         C  11  -2.608   8.191   2.556
  119    H5     C  11           H5         C  11  -1.184   8.631   4.453
  120    H6     C  11           H6         C  11   0.360  10.227   5.458
  121   1H5*    G  12          1H5*        G  12  -0.132  16.088   6.868
  122   2H5*    G  12          2H5*        G  12  -1.158  17.036   7.962
  123    H4*    G  12           H4*        G  12  -1.408  18.065   5.898
  124    H3*    G  12           H3*        G  12  -3.759  16.291   6.466
  125    H2*    G  12           H2*        G  12  -4.694  16.880   4.319
  126   2HO*    G  12          2HO*        G  12  -3.415  19.104   4.695
  127    H1*    G  12           H1*        G  12  -2.338  16.504   2.897
  128    H8     G  12           H8         G  12  -2.423  14.051   5.748
  129    H1     G  12           H1         G  12  -5.674  12.167   0.550
  130   1H2     G  12          1H2         G  12  -5.889  13.833  -0.857
  131   2H2     G  12          2H2         G  12  -5.224  15.417  -0.530
  132   1H5*    A  13          1H5*        A  13  -5.321  19.578   4.958
  133   2H5*    A  13          2H5*        A  13  -6.845  20.105   5.699
  134    H4*    A  13           H4*        A  13  -7.141  19.624   3.347
  135    H3*    A  13           H3*        A  13  -8.591  17.777   5.235
  136    H2*    A  13           H2*        A  13  -9.524  16.673   3.309
  137   2HO*    A  13          2HO*        A  13  -9.172  19.092   2.226
  138    H1*    A  13           H1*        A  13  -7.124  16.699   1.825
  139    H8     A  13           H8         A  13  -6.087  15.782   5.243
  140   1H6     A  13          H61         A  13  -7.932   9.998   4.031
  141   2H6     A  13          H62         A  13  -7.026  11.023   5.119
  142    H2     A  13           H2         A  13  -9.563  12.687   0.823
  143   1H5*    U  14          1H5*        U  14 -11.143  18.613   2.140
  144   2H5*    U  14          2H5*        U  14 -12.456  19.590   2.826
  145    H4*    U  14           H4*        U  14 -13.596  18.140   1.473
  146    H3*    U  14           H3*        U  14 -13.658  17.136   4.271
  147    H2*    U  14           H2*        U  14 -14.692  15.071   3.579
  148   2HO*    U  14          2HO*        U  14 -15.632  16.608   1.648
  149    H1*    U  14           H1*        U  14 -13.055  14.587   1.402
  150    H3     U  14           H3         U  14 -11.188  11.763   4.347
  151    H5     U  14           H5         U  14  -9.968  15.537   5.691
  152    H6     U  14           H6         U  14 -11.420  16.510   4.040
  153   1H5*    G  15          1H5*        G  15 -17.416  16.646   3.332
  154   2H5*    G  15          2H5*        G  15 -18.606  16.963   4.610
  155    H4*    G  15           H4*        G  15 -18.567  14.625   4.180
  156    H3*    G  15           H3*        G  15 -17.408  15.429   6.823
  157    H2*    G  15           H2*        G  15 -16.849  13.140   7.295
  158   2HO*    G  15          2HO*        G  15 -18.008  11.584   6.450
  159    H1*    G  15           H1*        G  15 -15.794  12.563   4.788
  160    H8     G  15           H8         G  15 -14.832  16.090   5.412
  161    H1     G  15           H1         G  15 -11.282  11.883   8.701
  162   1H2     G  15          1H2         G  15 -12.171   9.865   8.567
  163   2H2     G  15          2H2         G  15 -13.652   9.574   7.683
  164   1H5*    A  16          1H5*        A  16 -17.580  15.124   9.298
  165   2H5*    A  16          2H5*        A  16 -18.093  13.508   8.776
  166    H4*    A  16           H4*        A  16 -18.124  14.751  11.477
  167    H3*    A  16           H3*        A  16 -16.488  12.865  10.576
  168    H2*    A  16           H2*        A  16 -17.948  11.119   9.952
  169   2HO*    A  16          2HO*        A  16 -16.920  10.446  12.039
  170    H1*    A  16           H1*        A  16 -20.033  11.560  12.055
  171    H8     A  16           H8         A  16 -20.044  12.899   8.490
  172   1H6     A  16          H61         A  16 -23.850   8.196   7.172
  173   2H6     A  16          H62         A  16 -23.108   9.657   6.556
  174    H2     A  16           H2         A  16 -22.428   7.693  11.389
  175   1H5*    A  17          1H5*        A  17 -13.613  10.058  12.733
  176   2H5*    A  17          2H5*        A  17 -14.218  10.535  11.134
  177    H4*    A  17           H4*        A  17 -14.748   8.063  12.722
  178    H3*    A  17           H3*        A  17 -13.766   8.628   9.958
  179    H2*    A  17           H2*        A  17 -14.986   6.791   9.057
  180   2HO*    A  17          2HO*        A  17 -14.309   5.628  11.216
  181    H1*    A  17           H1*        A  17 -17.265   7.005  10.716
  182    H8     A  17           H8         A  17 -16.036  10.291   9.242
  183   1H6     A  17          H61         A  17 -20.000   9.161   4.618
  184   2H6     A  17          H62         A  17 -18.908  10.345   5.308
  185    H2     A  17           H2         A  17 -19.841   5.532   7.226
  186   1H5*    A  18          1H5*        A  18  -9.863   5.180   8.735
  187   2H5*    A  18          2H5*        A  18 -10.927   6.491   8.193
  188    H4*    A  18           H4*        A  18 -11.710   3.696   8.994
  189    H3*    A  18           H3*        A  18 -11.579   5.074   6.335
  190    H2*    A  18           H2*        A  18 -13.603   3.941   5.661
  191   2HO*    A  18          2HO*        A  18 -12.766   2.151   7.434
  192    H1*    A  18           H1*        A  18 -15.001   4.475   7.992
  193    H8     A  18           H8         A  18 -12.794   7.427   7.496
  194   1H6     A  18          H61         A  18 -17.012   9.614   3.531
  195   2H6     A  18          H62         A  18 -15.566   9.992   4.445
  196    H2     A  18           H2         A  18 -18.057   5.358   4.469
  197   1H5*    G  19          1H5*        G  19 -12.658   1.941   4.723
  198   2H5*    G  19          2H5*        G  19 -11.467   1.339   3.554
  199    H4*    G  19           H4*        G  19 -13.399   1.651   2.305
  200    H3*    G  19           H3*        G  19 -11.438   3.860   1.882
  201    H2*    G  19           H2*        G  19 -13.010   5.085   0.524
  202   2HO*    G  19          2HO*        G  19 -13.979   2.664   0.072
  203    H1*    G  19           H1*        G  19 -15.124   4.889   2.262
  204    H8     G  19           H8         G  19 -12.275   4.724   4.578
  205    H1     G  19           H1         G  19 -13.248  10.659   2.403
  206   1H2     G  19          1H2         G  19 -14.701  10.626   0.708
  207   2H2     G  19          2H2         G  19 -15.412   9.132   0.137
  208   1H5*    U  20          1H5*        U  20 -12.803   3.922  -1.290
  209   2H5*    U  20          2H5*        U  20 -11.751   3.976  -2.718
  210    H4*    U  20           H4*        U  20 -13.028   6.013  -2.535
  211    H3*    U  20           H3*        U  20 -10.060   6.289  -2.133
  212    H2*    U  20           H2*        U  20 -10.360   8.650  -1.831
  213   2HO*    U  20          2HO*        U  20 -12.412   8.224  -3.462
  214    H1*    U  20           H1*        U  20 -12.720   8.433  -0.291
  215    H3     U  20           H3         U  20  -9.150  10.105   2.154
  216    H5     U  20           H5         U  20  -9.289   5.959   2.794
  217    H6     U  20           H6         U  20 -10.879   5.808   0.994
  218   1H5*    C  21          1H5*        C  21 -11.376   9.419  -4.386
  219   2H5*    C  21          2H5*        C  21 -10.868   9.066  -6.050
  220    H4*    C  21           H4*        C  21 -10.518  11.299  -6.014
  221    H3*    C  21           H3*        C  21  -7.953  10.008  -5.194
  222    H2*    C  21           H2*        C  21  -6.981  12.148  -4.674
  223   2HO*    C  21          2HO*        C  21  -8.796  12.975  -6.465
  224    H1*    C  21           H1*        C  21  -9.133  13.129  -3.247
  225   1H4     C  21          H41         C  21  -5.965  10.040   1.293
  226   2H4     C  21          H42         C  21  -6.612   8.518   0.738
  227    H5     C  21           H5         C  21  -7.956   8.297  -1.253
  228    H6     C  21           H6         C  21  -8.964   9.495  -3.120
  229   1H5*    G  22          1H5*        G  22  -6.863  13.013  -7.067
  230   2H5*    G  22          2H5*        G  22  -6.084  12.777  -8.644
  231    H4*    G  22           H4*        G  22  -4.643  14.258  -7.730
  232    H3*    G  22           H3*        G  22  -3.611  11.538  -7.026
  233    H2*    G  22           H2*        G  22  -1.895  12.514  -5.654
  234   2HO*    G  22          2HO*        G  22  -2.269  14.565  -7.351
  235    H1*    G  22           H1*        G  22  -3.514  14.404  -4.417
  236    H8     G  22           H8         G  22  -5.262  11.085  -5.109
  237    H1     G  22           H1         G  22  -2.210  11.456   0.523
  238   1H2     G  22          1H2         G  22  -1.055  13.308   0.639
  239   2H2     G  22          2H2         G  22  -1.009  14.458  -0.679
  240   1H5*    C  23          1H5*        C  23  -0.515  13.353  -7.495
  241   2H5*    C  23          2H5*        C  23   0.657  12.810  -8.707
  242    H4*    C  23           H4*        C  23   1.919  12.847  -6.803
  243    H3*    C  23           H3*        C  23   0.859  10.036  -7.082
  244    H2*    C  23           H2*        C  23   2.079   9.459  -5.101
  245   2HO*    C  23          2HO*        C  23   3.259  12.047  -5.401
  246    H1*    C  23           H1*        C  23   1.366  11.814  -3.733
  247   1H4     C  23          H41         C  23  -2.724   7.439  -1.713
  248   2H4     C  23          H42         C  23  -3.727   7.639  -3.139
  249    H5     C  23           H5         C  23  -3.057   9.086  -4.988
  250    H6     C  23           H6         C  23  -1.325  10.602  -5.804
  251   1H5*    A  24          1H5*        A  24   5.973   9.317  -9.176
  252   2H5*    A  24          2H5*        A  24   4.267   9.115  -8.730
  253    H4*    A  24           H4*        A  24   6.118  10.270  -6.717
  254    H3*    A  24           H3*        A  24   6.838   7.781  -7.840
  255    H2*    A  24           H2*        A  24   5.263   6.447  -6.683
  256   2HO*    A  24          2HO*        A  24   5.988   6.563  -4.238
  257    H1*    A  24           H1*        A  24   5.062   8.578  -4.490
  258    H8     A  24           H8         A  24   2.340   7.392  -6.898
  259   1H6     A  24          H61         A  24  -0.303   4.811  -1.918
  260   2H6     A  24          H62         A  24  -0.514   5.185  -3.618
  261    H2     A  24           H2         A  24   3.709   6.366  -0.713
  262   1H5*    A  25          1H5*        A  25  11.953   7.464  -5.000
  263   2H5*    A  25          2H5*        A  25  11.165   6.370  -6.154
  264    H4*    A  25           H4*        A  25  11.738   5.441  -3.873
  265    H3*    A  25           H3*        A  25   9.753   4.645  -5.527
  266    H2*    A  25           H2*        A  25   7.935   5.854  -4.597
  267   2HO*    A  25          2HO*        A  25   8.285   3.381  -3.532
  268    H1*    A  25           H1*        A  25   9.009   5.526  -1.758
  269    H8     A  25           H8         A  25   8.512   8.429  -4.164
  270   1H6     A  25          H61         A  25   4.092  10.414  -0.299
  271   2H6     A  25          H62         A  25   5.019  10.788  -1.735
  272    H2     A  25           H2         A  25   5.547   6.430   1.160
  273   1H5*    G  26          1H5*        G  26  12.445   0.375  -2.330
  274   2H5*    G  26          2H5*        G  26  10.805   0.730  -2.908
  275    H4*    G  26           H4*        G  26  12.298   2.357  -0.854
  276    H3*    G  26           H3*        G  26  10.462   0.028  -0.446
  277    H2*    G  26           H2*        G  26   9.344   1.194   1.339
  278   2HO*    G  26          2HO*        G  26  11.643   2.312   1.695
  279    H1*    G  26           H1*        G  26   9.044   3.581  -0.016
  280    H8     G  26           H8         G  26   7.191   3.519  -1.967
  281    H1     G  26           H1         G  26   6.340  -2.701  -0.673
  282   1H2     G  26          1H2         G  26   8.030  -3.471   0.524
  283   2H2     G  26          2H2         G  26   9.348  -2.433   1.021
  284   1H5*    C  27          1H5*        C  27  11.800   1.178   3.502
  285   2H5*    C  27          2H5*        C  27  12.951  -0.119   3.881
  286    H4*    C  27           H4*        C  27  11.973   0.106   5.903
  287    H3*    C  27           H3*        C  27  10.348  -1.947   4.446
  288    H2*    C  27           H2*        C  27   8.807  -2.037   6.297
  289   2HO*    C  27          2HO*        C  27  10.861  -1.477   7.725
  290    H1*    C  27           H1*        C  27   8.562   0.705   6.590
  291   1H4     C  27          H41         C  27   4.189  -1.086   2.269
  292   2H4     C  27          H42         C  27   5.179  -0.299   1.064
  293    H5     C  27           H5         C  27   7.376   0.574   1.537
  294    H6     C  27           H6         C  27   9.095   0.835   3.242
  295   1H5*    A  28          1H5*        A  28  11.013  -3.719   8.066
  296   2H5*    A  28          2H5*        A  28  11.944  -5.224   7.927
  297    H4*    A  28           H4*        A  28  10.159  -5.759   9.313
  298    H3*    A  28           H3*        A  28   9.702  -6.765   6.531
  299    H2*    A  28           H2*        A  28   7.523  -7.581   7.179
  300   2HO*    A  28          2HO*        A  28   8.659  -7.688   9.569
  301    H1*    A  28           H1*        A  28   6.728  -5.257   8.448
  302    H8     A  28           H8         A  28   8.871  -3.829   5.856
  303   1H6     A  28          H61         A  28   4.277  -4.655   1.788
  304   2H6     A  28          H62         A  28   5.825  -3.889   2.086
  305    H2     A  28           H2         A  28   3.292  -6.980   5.501
  306   1H5*    C  29          1H5*        C  29   8.552  -9.441   8.939
  307   2H5*    C  29          2H5*        C  29   9.170 -11.102   8.847
  308    H4*    C  29           H4*        C  29   6.844 -11.302   8.880
  309    H3*    C  29           H3*        C  29   7.958 -11.698   6.124
  310    H2*    C  29           H2*        C  29   5.723 -11.996   5.270
  311   2HO*    C  29          2HO*        C  29   5.268 -12.840   7.727
  312    H1*    C  29           H1*        C  29   4.622  -9.826   6.624
  313   1H4     C  29          H41         C  29   6.502  -7.386   1.092
  314   2H4     C  29          H42         C  29   8.099  -7.067   1.743
  315    H5     C  29           H5         C  29   8.771  -7.827   3.956
  316    H6     C  29           H6         C  29   8.052  -9.038   5.948
  317   1H5*    G  30          1H5*        G  30   5.396 -14.525   6.503
  318   2H5*    G  30          2H5*        G  30   5.876 -16.161   6.010
  319    H4*    G  30           H4*        G  30   3.934 -15.478   4.779
  320    H3*    G  30           H3*        G  30   6.443 -15.703   3.131
  321    H2*    G  30           H2*        G  30   5.161 -15.096   1.194
  322   2HO*    G  30          2HO*        G  30   3.176 -15.838   1.116
  323    H1*    G  30           H1*        G  30   3.567 -13.162   2.539
  324    H8     G  30           H8         G  30   7.140 -12.705   3.524
  325    H1     G  30           H1         G  30   5.670 -10.141  -2.168
  326   1H2     G  30          1H2         G  30   3.658 -10.813  -2.798
  327   2H2     G  30          2H2         G  30   2.699 -11.903  -1.824
  328   1H5*    G  31          1H5*        G  31   3.097 -17.533   1.334
  329   2H5*    G  31          2H5*        G  31   3.424 -19.276   1.398
  330    H4*    G  31           H4*        G  31   2.370 -19.112  -0.609
  331    H3*    G  31           H3*        G  31   5.313 -18.941  -1.107
  332    H2*    G  31           H2*        G  31   4.931 -18.499  -3.442
  333   2HO*    G  31          2HO*        G  31   2.804 -19.936  -3.069
  334    H1*    G  31           H1*        G  31   2.949 -16.597  -3.067
  335    H8     G  31           H8         G  31   5.585 -16.656  -0.316
  336    H1     G  31           H1         G  31   6.888 -12.776  -5.255
  337   1H2     G  31          1H2         G  31   5.438 -13.071  -6.870
  338   2H2     G  31          2H2         G  31   4.144 -14.240  -6.740
  339   1H5*    U  32          1H5*        U  32   4.378 -21.207  -4.081
  340   2H5*    U  32          2H5*        U  32   5.544 -22.509  -4.382
  341    H4*    U  32           H4*        U  32   5.532 -20.960  -6.222
  342    H3*    U  32           H3*        U  32   8.054 -21.047  -4.598
  343    H2*    U  32           H2*        U  32   8.999 -19.339  -6.011
  344   2HO*    U  32          2HO*        U  32   8.294 -19.870  -8.038
  345    H1*    U  32           H1*        U  32   6.737 -17.713  -6.034
  346    H3     U  32           H3         U  32   9.567 -15.500  -3.313
  347    H5     U  32           H5         U  32   8.109 -18.653  -0.943
  348    H6     U  32           H6         U  32   7.024 -19.519  -2.906
  349   1H5*    U  33          1H5*        U  33   8.391 -21.525  -8.916
  350   2H5*    U  33          2H5*        U  33   9.760 -22.511  -9.460
  351    H4*    U  33           H4*        U  33   9.590 -20.377 -10.655
  352    H3*    U  33           H3*        U  33  12.083 -20.864  -9.041
  353    H2*    U  33           H2*        U  33  12.907 -18.719  -9.797
  354   2HO*    U  33          2HO*        U  33  12.277 -18.269 -11.794
  355    H1*    U  33           H1*        U  33  10.528 -17.363  -9.251
  356    H3     U  33           H3         U  33  13.490 -16.270  -5.963
  357    H5     U  33           H5         U  33  11.655 -19.827  -4.697
  358    H6     U  33           H6         U  33  10.684 -20.015  -6.892
  359   1H5*    C  34          1H5*        C  34  13.197 -19.613 -12.746
  360   2H5*    C  34          2H5*        C  34  14.630 -20.410 -13.424
  361    H4*    C  34           H4*        C  34  14.881 -17.984 -13.329
  362    H3*    C  34           H3*        C  34  16.771 -19.641 -11.681
  363    H2*    C  34           H2*        C  34  17.838 -17.623 -10.931
  364   2HO*    C  34          2HO*        C  34  17.829 -15.897 -12.184
  365    H1*    C  34           H1*        C  34  15.451 -16.205 -10.503
  366   1H4     C  34          H41         C  34  16.955 -18.617  -4.838
  367   2H4     C  34          H42         C  34  15.966 -20.023  -5.175
  368    H5     C  34           H5         C  34  14.945 -20.406  -7.341
  369    H6     C  34           H6         C  34  14.750 -19.573  -9.631
  370    H3T    C  34           H3T        C  34  16.627 -19.350 -14.099
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  23.261  -9.904   0.142
    2   2H5*    G   1          2H5*        G   1  21.847  -8.839   0.237
    3    H4*    G   1           H4*        G   1  22.648  -9.119  -2.057
    4    H3*    G   1           H3*        G   1  19.882 -10.176  -1.482
    5    H2*    G   1           H2*        G   1  19.716 -10.709  -3.816
    6   2HO*    G   1          2HO*        G   1  20.632  -9.343  -5.148
    7    H1*    G   1           H1*        G   1  22.415 -11.582  -4.033
    8    H8     G   1           H8         G   1  21.484 -13.346  -1.065
    9    H1     G   1           H1         G   1  18.311 -15.657  -6.135
   10   1H2     G   1          1H2         G   1  18.473 -14.267  -7.835
   11   2H2     G   1          2H2         G   1  19.361 -12.764  -7.719
   12    H5T    G   1           H5T        G   1  21.284 -11.520  -0.114
   13   1H5*    A   2          1H5*        A   2  19.695  -7.720  -4.759
   14   2H5*    A   2          2H5*        A   2  18.242  -6.704  -4.817
   15    H4*    A   2           H4*        A   2  18.530  -8.031  -6.846
   16    H3*    A   2           H3*        A   2  16.073  -8.601  -5.196
   17    H2*    A   2           H2*        A   2  15.417 -10.206  -6.860
   18   2HO*    A   2          2HO*        A   2  16.816  -8.550  -8.438
   19    H1*    A   2           H1*        A   2  18.039 -11.200  -7.298
   20    H8     A   2           H8         A   2  17.989 -11.219  -3.693
   21   1H6     A   2          H61         A   2  14.289 -16.177  -3.823
   22   2H6     A   2          H62         A   2  15.342 -15.192  -2.834
   23    H2     A   2           H2         A   2  14.298 -14.331  -7.918
   24   1H5*    G   3          1H5*        G   3  15.249  -8.800  -9.046
   25   2H5*    G   3          2H5*        G   3  14.439  -7.291  -9.506
   26    H4*    G   3           H4*        G   3  13.403  -8.813 -10.863
   27    H3*    G   3           H3*        G   3  11.689  -8.557  -8.400
   28    H2*    G   3           H2*        G   3  10.164 -10.132  -9.403
   29   2HO*    G   3          2HO*        G   3  11.061  -9.108 -11.635
   30    H1*    G   3           H1*        G   3  12.181 -11.876 -10.285
   31    H8     G   3           H8         G   3  12.873 -10.331  -6.894
   32    H1     G   3           H1         G   3   9.389 -15.714  -6.748
   33   1H2     G   3          1H2         G   3   8.803 -16.298  -8.780
   34   2H2     G   3          2H2         G   3   9.270 -15.360 -10.182
   35   1H5*    C   4          1H5*        C   4   9.279  -8.579 -11.564
   36   2H5*    C   4          2H5*        C   4   8.493  -7.002 -11.768
   37    H4*    C   4           H4*        C   4   6.730  -8.361 -12.168
   38    H3*    C   4           H3*        C   4   6.700  -7.826  -9.215
   39    H2*    C   4           H2*        C   4   4.796  -9.305  -9.000
   40   2HO*    C   4          2HO*        C   4   4.373  -8.619 -11.494
   41    H1*    C   4           H1*        C   4   5.935 -11.368 -10.436
   42   1H4     C   4          H41         C   4   8.302 -12.417  -4.642
   43   2H4     C   4          H42         C   4   9.436 -11.107  -4.835
   44    H5     C   4           H5         C   4   9.466  -9.667  -6.765
   45    H6     C   4           H6         C   4   8.386  -9.159  -8.885
   46   1H5*    C   5          1H5*        C   5   3.128  -7.980 -10.143
   47   2H5*    C   5          2H5*        C   5   1.989  -6.937  -9.267
   48    H4*    C   5           H4*        C   5   1.647  -9.318  -8.801
   49    H3*    C   5           H3*        C   5   2.436  -7.569  -6.479
   50    H2*    C   5           H2*        C   5   2.259  -9.517  -5.062
   51   2HO*    C   5          2HO*        C   5   0.638 -10.335  -7.109
   52    H1*    C   5           H1*        C   5   3.585 -11.229  -6.860
   53   1H4     C   5          H41         C   5   7.966  -9.178  -2.742
   54   2H4     C   5          H42         C   5   8.456  -7.957  -3.900
   55    H5     C   5           H5         C   5   7.235  -7.550  -5.963
   56    H6     C   5           H6         C   5   5.310  -8.223  -7.304
   57   1H5*    G   6          1H5*        G   6  -0.540 -10.127  -5.596
   58   2H5*    G   6          2H5*        G   6  -2.072  -9.230  -5.607
   59    H4*    G   6           H4*        G   6  -2.542 -10.769  -4.018
   60    H3*    G   6           H3*        G   6  -1.419  -8.386  -2.608
   61    H2*    G   6           H2*        G   6  -1.405  -9.578  -0.513
   62   2HO*    G   6          2HO*        G   6  -3.385 -10.901  -1.643
   63    H1*    G   6           H1*        G   6  -0.225 -11.874  -1.483
   64    H8     G   6           H8         G   6   0.968  -8.897  -3.485
   65    H1     G   6           H1         G   6   4.265  -9.957   1.908
   66   1H2     G   6          1H2         G   6   3.250 -11.484   3.133
   67   2H2     G   6          2H2         G   6   1.753 -12.233   2.629
   68   1H5*    U   7          1H5*        U   7  -3.966  -9.687  -0.219
   69   2H5*    U   7          2H5*        U   7  -5.086  -8.550   0.554
   70    H4*    U   7           H4*        U   7  -3.827  -9.648   2.248
   71    H3*    U   7           H3*        U   7  -3.042  -6.762   1.885
   72    H2*    U   7           H2*        U   7  -1.543  -7.051   3.772
   73   2HO*    U   7          2HO*        U   7  -3.246  -9.065   4.322
   74    H1*    U   7           H1*        U   7  -0.444  -9.415   2.777
   75    H3     U   7           H3         U   7   2.634  -6.173   2.036
   76    H5     U   7           H5         U   7   0.064  -6.035  -1.276
   77    H6     U   7           H6         U   7  -1.413  -7.529  -0.092
   78   1H5*    G   8          1H5*        G   8  -3.339  -7.507   5.465
   79   2H5*    G   8          2H5*        G   8  -4.243  -6.479   6.592
   80    H4*    G   8           H4*        G   8  -2.095  -6.713   7.495
   81    H3*    G   8           H3*        G   8  -2.414  -4.008   6.210
   82    H2*    G   8           H2*        G   8  -0.183  -3.488   6.884
   83   2HO*    G   8          2HO*        G   8  -0.831  -4.924   8.958
   84    H1*    G   8           H1*        G   8   0.823  -6.146   6.489
   85    H8     G   8           H8         G   8  -0.888  -5.301   3.368
   86    H1     G   8           H1         G   8   4.666  -2.160   4.022
   87   1H2     G   8          1H2         G   8   5.428  -2.375   6.064
   88   2H2     G   8          2H2         G   8   4.563  -3.282   7.283
   89   1H5*    U   9          1H5*        U   9  -3.399  -0.194   7.372
   90   2H5*    U   9          2H5*        U   9  -2.778  -1.367   6.194
   91    H4*    U   9           H4*        U   9  -0.980   0.123   8.081
   92    H3*    U   9           H3*        U   9  -2.131   1.185   5.532
   93    H2*    U   9           H2*        U   9   0.026   1.947   4.818
   94   2HO*    U   9          2HO*        U   9   1.513   2.477   6.252
   95    H1*    U   9           H1*        U   9   1.461  -0.312   5.609
   96    H3     U   9           H3         U   9   0.993  -0.080   1.002
   97    H5     U   9           H5         U   9  -2.020  -2.614   2.450
   98    H6     U   9           H6         U   9  -1.464  -1.881   4.674
   99   1H5*    G  10          1H5*        G  10   0.558   3.599   7.233
  100   2H5*    G  10          2H5*        G  10  -0.252   4.935   8.074
  101    H4*    G  10           H4*        G  10   1.956   5.566   7.257
  102    H3*    G  10           H3*        G  10  -0.434   7.022   6.179
  103    H2*    G  10           H2*        G  10   1.004   8.337   4.769
  104   2HO*    G  10          2HO*        G  10   2.699   8.021   6.702
  105    H1*    G  10           H1*        G  10   2.611   6.211   3.925
  106    H8     G  10           H8         G  10  -0.786   4.753   4.090
  107    H1     G  10           H1         G  10   0.088   8.531  -1.027
  108   1H2     G  10          1H2         G  10   1.948   9.687  -0.811
  109   2H2     G  10          2H2         G  10   2.968   9.536   0.604
  110   1H5*    C  11          1H5*        C  11   1.934  10.398   7.540
  111   2H5*    C  11          2H5*        C  11   1.004  10.999   8.927
  112    H4*    C  11           H4*        C  11   1.482  12.928   7.780
  113    H3*    C  11           H3*        C  11  -1.270  12.001   7.078
  114    H2*    C  11           H2*        C  11  -1.488  13.733   5.423
  115   2HO*    C  11          2HO*        C  11  -0.497  15.550   5.896
  116    H1*    C  11           H1*        C  11   0.976  13.343   4.240
  117   1H4     C  11          H41         C  11  -2.687   9.209   1.119
  118   2H4     C  11          H42         C  11  -2.602   8.081   2.454
  119    H5     C  11           H5         C  11  -1.514   8.599   4.548
  120    H6     C  11           H6         C  11  -0.278  10.296   5.786
  121   1H5*    G  12          1H5*        G  12  -1.056  16.092   7.804
  122   2H5*    G  12          2H5*        G  12  -2.382  16.811   8.739
  123    H4*    G  12           H4*        G  12  -2.020  18.087   6.745
  124    H3*    G  12           H3*        G  12  -4.612  16.600   6.905
  125    H2*    G  12           H2*        G  12  -5.201  17.329   4.686
  126   2HO*    G  12          2HO*        G  12  -3.671  19.377   5.322
  127    H1*    G  12           H1*        G  12  -2.743  16.780   3.524
  128    H8     G  12           H8         G  12  -3.381  14.252   6.237
  129    H1     G  12           H1         G  12  -6.141  12.850   0.625
  130   1H2     G  12          1H2         G  12  -6.035  14.576  -0.731
  131   2H2     G  12          2H2         G  12  -5.273  16.078  -0.257
  132   1H5*    A  13          1H5*        A  13  -5.579  19.868   5.220
  133   2H5*    A  13          2H5*        A  13  -7.095  20.627   5.743
  134    H4*    A  13           H4*        A  13  -7.226  20.043   3.416
  135    H3*    A  13           H3*        A  13  -9.016  18.404   5.204
  136    H2*    A  13           H2*        A  13  -9.852  17.321   3.225
  137   2HO*    A  13          2HO*        A  13  -9.155  19.673   2.125
  138    H1*    A  13           H1*        A  13  -7.321  17.142   1.963
  139    H8     A  13           H8         A  13  -6.741  16.124   5.464
  140   1H6     A  13          H61         A  13  -9.025  10.556   4.009
  141   2H6     A  13          H62         A  13  -8.133  11.477   5.202
  142    H2     A  13           H2         A  13  -9.984  13.369   0.658
  143   1H5*    U  14          1H5*        U  14 -10.898  19.566   1.692
  144   2H5*    U  14          2H5*        U  14 -12.217  20.659   2.155
  145    H4*    U  14           H4*        U  14 -13.115  19.377   0.452
  146    H3*    U  14           H3*        U  14 -14.054  18.414   3.112
  147    H2*    U  14           H2*        U  14 -15.216  16.575   2.064
  148   2HO*    U  14          2HO*        U  14 -15.205  18.268  -0.015
  149    H1*    U  14           H1*        U  14 -13.144  15.813   0.397
  150    H3     U  14           H3         U  14 -12.793  12.722   3.657
  151    H5     U  14           H5         U  14 -11.131  16.176   5.347
  152    H6     U  14           H6         U  14 -11.885  17.393   3.414
  153   1H5*    G  15          1H5*        G  15 -17.168  18.470   1.111
  154   2H5*    G  15          2H5*        G  15 -18.736  19.018   1.734
  155    H4*    G  15           H4*        G  15 -18.969  16.720   1.414
  156    H3*    G  15           H3*        G  15 -18.602  17.397   4.309
  157    H2*    G  15           H2*        G  15 -18.623  15.065   4.878
  158   2HO*    G  15          2HO*        G  15 -19.751  13.729   3.681
  159    H1*    G  15           H1*        G  15 -16.966  14.224   2.802
  160    H8     G  15           H8         G  15 -15.629  17.530   3.851
  161    H1     G  15           H1         G  15 -14.049  12.752   7.829
  162   1H2     G  15          1H2         G  15 -15.200  10.937   7.336
  163   2H2     G  15          2H2         G  15 -16.362  10.918   6.032
  164   1H5*    A  16          1H5*        A  16 -19.775  17.177   6.634
  165   2H5*    A  16          2H5*        A  16 -20.373  15.718   5.820
  166    H4*    A  16           H4*        A  16 -21.213  16.959   8.394
  167    H3*    A  16           H3*        A  16 -19.734  14.774   8.060
  168    H2*    A  16           H2*        A  16 -21.140  13.335   6.828
  169   2HO*    A  16          2HO*        A  16 -21.159  12.517   9.100
  170    H1*    A  16           H1*        A  16 -23.754  14.230   7.975
  171    H8     A  16           H8         A  16 -22.124  15.480   4.773
  172   1H6     A  16          H61         A  16 -25.917  11.584   1.810
  173   2H6     A  16          H62         A  16 -24.738  12.864   1.614
  174    H2     A  16           H2         A  16 -26.356  10.874   6.208
  175   1H5*    A  17          1H5*        A  17 -18.241  11.655  10.344
  176   2H5*    A  17          2H5*        A  17 -18.695  12.242   8.732
  177    H4*    A  17           H4*        A  17 -19.848   9.901  10.237
  178    H3*    A  17           H3*        A  17 -17.956  10.066   7.943
  179    H2*    A  17           H2*        A  17 -19.135   8.394   6.706
  180   2HO*    A  17          2HO*        A  17 -19.592   7.436   9.091
  181    H1*    A  17           H1*        A  17 -21.734   9.194   7.351
  182    H8     A  17           H8         A  17 -19.360  12.113   6.695
  183   1H6     A  17          H61         A  17 -21.376  11.807   0.849
  184   2H6     A  17          H62         A  17 -20.415  12.729   1.987
  185    H2     A  17           H2         A  17 -23.013   8.281   3.065
  186   1H5*    A  18          1H5*        A  18 -17.237   5.810   9.201
  187   2H5*    A  18          2H5*        A  18 -15.617   5.429   8.584
  188    H4*    A  18           H4*        A  18 -17.470   4.155   7.524
  189    H3*    A  18           H3*        A  18 -15.546   5.756   5.881
  190    H2*    A  18           H2*        A  18 -16.760   5.184   3.875
  191   2HO*    A  18          2HO*        A  18 -17.413   3.051   5.286
  192    H1*    A  18           H1*        A  18 -19.269   5.748   4.888
  193    H8     A  18           H8         A  18 -16.518   7.956   6.362
  194   1H6     A  18          H61         A  18 -17.858  11.910   1.792
  195   2H6     A  18          H62         A  18 -16.931  11.673   3.258
  196    H2     A  18           H2         A  18 -20.178   8.144   1.096
  197   1H5*    G  19          1H5*        G  19 -15.866   2.721   3.594
  198   2H5*    G  19          2H5*        G  19 -14.339   2.195   2.860
  199    H4*    G  19           H4*        G  19 -15.814   2.969   1.146
  200    H3*    G  19           H3*        G  19 -13.413   4.699   1.635
  201    H2*    G  19           H2*        G  19 -14.180   6.214  -0.087
  202   2HO*    G  19          2HO*        G  19 -15.414   4.019  -0.962
  203    H1*    G  19           H1*        G  19 -16.765   6.392   0.862
  204    H8     G  19           H8         G  19 -14.640   5.783   3.866
  205    H1     G  19           H1         G  19 -14.445  11.851   1.812
  206   1H2     G  19          1H2         G  19 -15.380  12.014  -0.182
  207   2H2     G  19          2H2         G  19 -16.054  10.621  -0.998
  208   1H5*    U  20          1H5*        U  20 -13.845   4.919  -1.947
  209   2H5*    U  20          2H5*        U  20 -12.439   4.789  -3.021
  210    H4*    U  20           H4*        U  20 -13.553   6.955  -3.205
  211    H3*    U  20           H3*        U  20 -10.709   6.936  -2.226
  212    H2*    U  20           H2*        U  20 -10.786   9.336  -2.094
  213   2HO*    U  20          2HO*        U  20 -12.618   8.986  -4.027
  214    H1*    U  20           H1*        U  20 -13.382   9.460  -1.002
  215    H3     U  20           H3         U  20 -10.072  10.785   1.975
  216    H5     U  20           H5         U  20 -10.936   6.745   2.737
  217    H6     U  20           H6         U  20 -12.193   6.706   0.685
  218   1H5*    C  21          1H5*        C  21 -11.407  10.058  -4.754
  219   2H5*    C  21          2H5*        C  21 -10.615   9.651  -6.289
  220    H4*    C  21           H4*        C  21 -10.320  11.933  -6.117
  221    H3*    C  21           H3*        C  21  -7.850  10.469  -5.304
  222    H2*    C  21           H2*        C  21  -6.780  12.509  -4.622
  223   2HO*    C  21          2HO*        C  21  -8.476  13.544  -6.431
  224    H1*    C  21           H1*        C  21  -8.941  13.569  -3.249
  225   1H4     C  21          H41         C  21  -6.100  10.229   1.320
  226   2H4     C  21          H42         C  21  -6.765   8.740   0.690
  227    H5     C  21           H5         C  21  -8.055   8.634  -1.355
  228    H6     C  21           H6         C  21  -8.911   9.921  -3.239
  229   1H5*    G  22          1H5*        G  22  -6.586  13.530  -7.043
  230   2H5*    G  22          2H5*        G  22  -5.776  13.322  -8.608
  231    H4*    G  22           H4*        G  22  -4.318  14.724  -7.587
  232    H3*    G  22           H3*        G  22  -3.368  11.945  -6.974
  233    H2*    G  22           H2*        G  22  -1.618  12.863  -5.596
  234   2HO*    G  22          2HO*        G  22  -1.915  14.939  -7.228
  235    H1*    G  22           H1*        G  22  -3.235  14.694  -4.273
  236    H8     G  22           H8         G  22  -4.977  11.410  -5.145
  237    H1     G  22           H1         G  22  -1.949  11.498   0.507
  238   1H2     G  22          1H2         G  22  -0.782  13.347   0.710
  239   2H2     G  22          2H2         G  22  -0.749  14.568  -0.541
  240   1H5*    C  23          1H5*        C  23  -0.258  13.919  -7.424
  241   2H5*    C  23          2H5*        C  23   0.868  13.462  -8.713
  242    H4*    C  23           H4*        C  23   2.234  13.624  -6.882
  243    H3*    C  23           H3*        C  23   1.493  10.747  -7.307
  244    H2*    C  23           H2*        C  23   2.697  10.142  -5.324
  245   2HO*    C  23          2HO*        C  23   4.248  12.075  -6.014
  246    H1*    C  23           H1*        C  23   1.832  12.324  -3.781
  247   1H4     C  23          H41         C  23  -2.225   7.767  -2.117
  248   2H4     C  23          H42         C  23  -3.137   7.993  -3.592
  249    H5     C  23           H5         C  23  -2.419   9.488  -5.362
  250    H6     C  23           H6         C  23  -0.702  11.079  -6.052
  251   1H5*    A  24          1H5*        A  24   4.513   8.470  -9.839
  252   2H5*    A  24          2H5*        A  24   3.539   7.484  -8.731
  253    H4*    A  24           H4*        A  24   5.373   9.774  -8.074
  254    H3*    A  24           H3*        A  24   6.181   7.244  -8.199
  255    H2*    A  24           H2*        A  24   4.535   6.247  -6.752
  256   2HO*    A  24          2HO*        A  24   6.899   6.886  -5.545
  257    H1*    A  24           H1*        A  24   4.749   8.581  -4.794
  258    H8     A  24           H8         A  24   1.661   7.905  -6.842
  259   1H6     A  24          H61         A  24  -0.730   5.348  -1.732
  260   2H6     A  24          H62         A  24  -1.073   5.888  -3.364
  261    H2     A  24           H2         A  24   3.616   6.122  -0.992
  262   1H5*    A  25          1H5*        A  25  10.707   7.182  -5.489
  263   2H5*    A  25          2H5*        A  25  10.423   5.782  -6.541
  264    H4*    A  25           H4*        A  25  10.980   4.969  -4.394
  265    H3*    A  25           H3*        A  25   8.824   3.986  -5.582
  266    H2*    A  25           H2*        A  25   7.183   5.502  -4.726
  267   2HO*    A  25          2HO*        A  25   7.199   3.121  -3.658
  268    H1*    A  25           H1*        A  25   8.397   5.400  -1.931
  269    H8     A  25           H8         A  25   8.083   8.069  -4.615
  270   1H6     A  25          H61         A  25   3.974  10.819  -0.877
  271   2H6     A  25          H62         A  25   4.865  10.955  -2.377
  272    H2     A  25           H2         A  25   5.185   6.912   0.981
  273   1H5*    G  26          1H5*        G  26  12.795   1.982  -2.990
  274   2H5*    G  26          2H5*        G  26  12.437   0.548  -2.010
  275    H4*    G  26           H4*        G  26  12.535   3.035  -1.028
  276    H3*    G  26           H3*        G  26  10.964   0.668  -0.071
  277    H2*    G  26           H2*        G  26   9.893   2.079   1.580
  278   2HO*    G  26          2HO*        G  26  12.080   3.473   1.405
  279    H1*    G  26           H1*        G  26   9.178   4.038  -0.216
  280    H8     G  26           H8         G  26   7.237   3.309  -1.937
  281    H1     G  26           H1         G  26   7.469  -2.578   0.592
  282   1H2     G  26          1H2         G  26   9.324  -2.841   1.747
  283   2H2     G  26          2H2         G  26  10.495  -1.554   1.916
  284   1H5*    C  27          1H5*        C  27  12.160   1.628   3.861
  285   2H5*    C  27          2H5*        C  27  13.395   0.389   4.156
  286    H4*    C  27           H4*        C  27  12.158   0.105   6.018
  287    H3*    C  27           H3*        C  27  10.834  -1.685   3.990
  288    H2*    C  27           H2*        C  27   9.258  -2.312   5.703
  289   2HO*    C  27          2HO*        C  27  11.313  -1.677   7.289
  290    H1*    C  27           H1*        C  27   8.901   0.311   6.655
  291   1H4     C  27          H41         C  27   4.253  -0.920   2.423
  292   2H4     C  27          H42         C  27   5.073   0.165   1.328
  293    H5     C  27           H5         C  27   7.256   1.106   1.798
  294    H6     C  27           H6         C  27   9.111   1.147   3.379
  295   1H5*    A  28          1H5*        A  28  10.996  -3.487   7.316
  296   2H5*    A  28          2H5*        A  28  11.889  -5.017   7.409
  297    H4*    A  28           H4*        A  28   9.883  -5.368   8.564
  298    H3*    A  28           H3*        A  28   9.787  -6.634   5.835
  299    H2*    A  28           H2*        A  28   7.578  -7.445   6.366
  300   2HO*    A  28          2HO*        A  28   8.520  -7.351   8.838
  301    H1*    A  28           H1*        A  28   6.698  -5.030   7.488
  302    H8     A  28           H8         A  28   8.675  -3.819   4.669
  303   1H6     A  28          H61         A  28   3.964  -5.266   0.920
  304   2H6     A  28          H62         A  28   5.481  -4.408   1.053
  305    H2     A  28           H2         A  28   3.230  -7.210   4.895
  306   1H5*    C  29          1H5*        C  29   9.290  -9.902   8.709
  307   2H5*    C  29          2H5*        C  29  10.079 -11.370   8.099
  308    H4*    C  29           H4*        C  29   7.732 -11.744   8.639
  309    H3*    C  29           H3*        C  29   8.612 -12.125   5.800
  310    H2*    C  29           H2*        C  29   6.345 -12.631   5.157
  311   2HO*    C  29          2HO*        C  29   6.177 -13.531   7.594
  312    H1*    C  29           H1*        C  29   5.170 -10.537   6.573
  313   1H4     C  29          H41         C  29   6.349  -8.064   0.846
  314   2H4     C  29          H42         C  29   7.864  -7.422   1.447
  315    H5     C  29           H5         C  29   8.737  -7.978   3.642
  316    H6     C  29           H6         C  29   8.322  -9.229   5.693
  317   1H5*    G  30          1H5*        G  30   6.206 -15.120   6.523
  318   2H5*    G  30          2H5*        G  30   6.688 -16.696   5.866
  319    H4*    G  30           H4*        G  30   4.541 -15.947   4.985
  320    H3*    G  30           H3*        G  30   6.793 -16.287   3.021
  321    H2*    G  30           H2*        G  30   5.320 -15.597   1.257
  322   2HO*    G  30          2HO*        G  30   3.519 -16.736   2.871
  323    H1*    G  30           H1*        G  30   3.947 -13.631   2.796
  324    H8     G  30           H8         G  30   7.532 -13.061   3.432
  325    H1     G  30           H1         G  30   5.619 -10.863  -2.282
  326   1H2     G  30          1H2         G  30   3.613 -11.664  -2.761
  327   2H2     G  30          2H2         G  30   2.772 -12.754  -1.687
  328   1H5*    G  31          1H5*        G  31   3.306 -17.996   1.440
  329   2H5*    G  31          2H5*        G  31   3.578 -19.748   1.522
  330    H4*    G  31           H4*        G  31   2.530 -19.617  -0.478
  331    H3*    G  31           H3*        G  31   5.459 -19.390  -1.048
  332    H2*    G  31           H2*        G  31   4.999 -18.971  -3.374
  333   2HO*    G  31          2HO*        G  31   2.874 -20.424  -2.887
  334    H1*    G  31           H1*        G  31   2.978 -17.117  -2.943
  335    H8     G  31           H8         G  31   5.707 -17.053  -0.291
  336    H1     G  31           H1         G  31   6.734 -13.248  -5.352
  337   1H2     G  31          1H2         G  31   5.237 -13.607  -6.903
  338   2H2     G  31          2H2         G  31   3.980 -14.806  -6.709
  339   1H5*    U  32          1H5*        U  32   4.590 -21.831  -4.039
  340   2H5*    U  32          2H5*        U  32   5.884 -23.022  -4.278
  341    H4*    U  32           H4*        U  32   5.711 -21.505  -6.165
  342    H3*    U  32           H3*        U  32   8.256 -21.405  -4.571
  343    H2*    U  32           H2*        U  32   9.075 -19.686  -6.046
  344   2HO*    U  32          2HO*        U  32   8.418 -20.149  -8.060
  345    H1*    U  32           H1*        U  32   6.722 -18.196  -6.056
  346    H3     U  32           H3         U  32   9.554 -15.815  -3.463
  347    H5     U  32           H5         U  32   8.191 -18.909  -0.964
  348    H6     U  32           H6         U  32   7.109 -19.875  -2.883
  349   1H5*    U  33          1H5*        U  33   8.745 -21.830  -8.885
  350   2H5*    U  33          2H5*        U  33  10.199 -22.745  -9.329
  351    H4*    U  33           H4*        U  33  10.020 -20.616 -10.526
  352    H3*    U  33           H3*        U  33  12.394 -20.943  -8.697
  353    H2*    U  33           H2*        U  33  13.157 -18.781  -9.470
  354   2HO*    U  33          2HO*        U  33  12.610 -18.201 -11.438
  355    H1*    U  33           H1*        U  33  10.657 -17.564  -9.164
  356    H3     U  33           H3         U  33  13.341 -16.116  -5.778
  357    H5     U  33           H5         U  33  11.685 -19.728  -4.432
  358    H6     U  33           H6         U  33  10.840 -20.080  -6.657
  359   1H5*    C  34          1H5*        C  34  13.613 -19.549 -12.316
  360   2H5*    C  34          2H5*        C  34  15.064 -20.341 -12.961
  361    H4*    C  34           H4*        C  34  15.262 -17.911 -12.974
  362    H3*    C  34           H3*        C  34  17.185 -19.445 -11.246
  363    H2*    C  34           H2*        C  34  18.202 -17.372 -10.590
  364   2HO*    C  34          2HO*        C  34  17.664 -16.616 -12.964
  365    H1*    C  34           H1*        C  34  15.777 -15.962 -10.298
  366   1H4     C  34          H41         C  34  17.298 -17.852  -4.435
  367   2H4     C  34          H42         C  34  16.392 -19.329  -4.680
  368    H5     C  34           H5         C  34  15.417 -19.926  -6.814
  369    H6     C  34           H6         C  34  15.206 -19.283  -9.162
  370    H3T    C  34           H3T        C  34  17.406 -19.651 -13.414
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  23.677 -12.591   0.239
    2   2H5*    G   1          2H5*        G   1  22.509 -11.261   0.346
    3    H4*    G   1           H4*        G   1  23.282 -11.634  -1.942
    4    H3*    G   1           H3*        G   1  20.348 -12.118  -1.443
    5    H2*    G   1           H2*        G   1  20.128 -12.536  -3.798
    6   2HO*    G   1          2HO*        G   1  21.943 -10.733  -4.022
    7    H1*    G   1           H1*        G   1  22.592 -13.940  -3.999
    8    H8     G   1           H8         G   1  21.274 -15.570  -1.109
    9    H1     G   1           H1         G   1  17.771 -17.013  -6.281
   10   1H2     G   1          1H2         G   1  18.221 -15.607  -7.923
   11   2H2     G   1          2H2         G   1  19.389 -14.319  -7.739
   12    H5T    G   1           H5T        G   1  21.398 -13.742  -0.102
   13   1H5*    A   2          1H5*        A   2  20.595  -9.346  -4.596
   14   2H5*    A   2          2H5*        A   2  19.321  -8.116  -4.481
   15    H4*    A   2           H4*        A   2  19.326  -9.261  -6.642
   16    H3*    A   2           H3*        A   2  16.864  -9.609  -4.936
   17    H2*    A   2           H2*        A   2  15.904 -10.892  -6.729
   18   2HO*    A   2          2HO*        A   2  16.647 -10.766  -8.774
   19    H1*    A   2           H1*        A   2  18.291 -12.289  -7.327
   20    H8     A   2           H8         A   2  18.291 -12.483  -3.702
   21   1H6     A   2          H61         A   2  13.874 -16.808  -4.042
   22   2H6     A   2          H62         A   2  15.069 -16.049  -3.013
   23    H2     A   2           H2         A   2  14.162 -14.787  -8.039
   24   1H5*    G   3          1H5*        G   3  16.061  -9.167  -8.843
   25   2H5*    G   3          2H5*        G   3  15.376  -7.547  -9.079
   26    H4*    G   3           H4*        G   3  14.276  -8.876 -10.631
   27    H3*    G   3           H3*        G   3  12.511  -8.502  -8.219
   28    H2*    G   3           H2*        G   3  10.817  -9.777  -9.374
   29   2HO*    G   3          2HO*        G   3  12.071  -8.835 -11.514
   30    H1*    G   3           H1*        G   3  12.590 -11.765 -10.247
   31    H8     G   3           H8         G   3  13.415 -10.501  -6.778
   32    H1     G   3           H1         G   3   9.049 -15.198  -6.957
   33   1H2     G   3          1H2         G   3   8.433 -15.588  -9.024
   34   2H2     G   3          2H2         G   3   9.095 -14.690 -10.373
   35   1H5*    C   4          1H5*        C   4  10.422  -8.208 -11.409
   36   2H5*    C   4          2H5*        C   4   9.784  -6.585 -11.739
   37    H4*    C   4           H4*        C   4   7.969  -7.821 -12.279
   38    H3*    C   4           H3*        C   4   7.695  -7.182  -9.361
   39    H2*    C   4           H2*        C   4   5.672  -8.503  -9.288
   40   2HO*    C   4          2HO*        C   4   5.515  -7.857 -11.814
   41    H1*    C   4           H1*        C   4   6.761 -10.691 -10.579
   42   1H4     C   4          H41         C   4   8.458 -11.842  -4.582
   43   2H4     C   4          H42         C   4   9.702 -10.621  -4.658
   44    H5     C   4           H5         C   4  10.020  -9.196  -6.580
   45    H6     C   4           H6         C   4   9.200  -8.640  -8.804
   46   1H5*    C   5          1H5*        C   5   4.230  -7.015 -10.562
   47   2H5*    C   5          2H5*        C   5   3.154  -5.813  -9.823
   48    H4*    C   5           H4*        C   5   2.521  -8.113  -9.270
   49    H3*    C   5           H3*        C   5   3.350  -6.338  -6.980
   50    H2*    C   5           H2*        C   5   2.878  -8.169  -5.491
   51   2HO*    C   5          2HO*        C   5   1.078  -9.150  -6.197
   52    H1*    C   5           H1*        C   5   4.061 -10.129  -7.143
   53   1H4     C   5          H41         C   5   8.339  -8.536  -2.746
   54   2H4     C   5          H42         C   5   9.049  -7.363  -3.844
   55    H5     C   5           H5         C   5   8.033  -6.841  -6.004
   56    H6     C   5           H6         C   5   6.151  -7.317  -7.486
   57   1H5*    G   6          1H5*        G   6  -1.040  -7.930  -6.555
   58   2H5*    G   6          2H5*        G   6  -1.873  -6.511  -5.893
   59    H4*    G   6           H4*        G   6  -2.573  -8.532  -4.767
   60    H3*    G   6           H3*        G   6  -1.117  -6.494  -3.119
   61    H2*    G   6           H2*        G   6  -1.272  -7.955  -1.197
   62   2HO*    G   6          2HO*        G   6  -3.311  -8.995  -2.674
   63    H1*    G   6           H1*        G   6  -0.372 -10.209  -2.506
   64    H8     G   6           H8         G   6   1.367  -7.484  -4.300
   65    H1     G   6           H1         G   6   3.950  -8.701   1.434
   66   1H2     G   6          1H2         G   6   2.596  -9.993   2.624
   67   2H2     G   6          2H2         G   6   1.066 -10.558   1.993
   68   1H5*    U   7          1H5*        U   7  -3.791  -8.194  -0.887
   69   2H5*    U   7          2H5*        U   7  -4.886  -7.094  -0.029
   70    H4*    U   7           H4*        U   7  -3.948  -8.644   1.527
   71    H3*    U   7           H3*        U   7  -2.997  -5.812   1.838
   72    H2*    U   7           H2*        U   7  -1.654  -6.521   3.721
   73   2HO*    U   7          2HO*        U   7  -3.509  -8.401   3.887
   74    H1*    U   7           H1*        U   7  -0.595  -8.756   2.431
   75    H3     U   7           H3         U   7   2.776  -5.726   2.380
   76    H5     U   7           H5         U   7   0.398  -4.771  -0.937
   77    H6     U   7           H6         U   7  -1.258  -6.308  -0.098
   78   1H5*    G   8          1H5*        G   8  -3.593  -6.966   5.222
   79   2H5*    G   8          2H5*        G   8  -4.500  -5.991   6.394
   80    H4*    G   8           H4*        G   8  -2.386  -6.309   7.339
   81    H3*    G   8           H3*        G   8  -2.591  -3.550   6.147
   82    H2*    G   8           H2*        G   8  -0.361  -3.123   6.902
   83   2HO*    G   8          2HO*        G   8  -1.006  -4.473   8.937
   84    H1*    G   8           H1*        G   8   0.599  -5.750   6.341
   85    H8     G   8           H8         G   8  -1.169  -4.757   3.292
   86    H1     G   8           H1         G   8   4.391  -1.646   4.034
   87   1H2     G   8          1H2         G   8   5.144  -1.920   6.065
   88   2H2     G   8          2H2         G   8   4.284  -2.872   7.253
   89   1H5*    U   9          1H5*        U   9  -3.530   0.241   7.974
   90   2H5*    U   9          2H5*        U   9  -3.229   0.189   6.226
   91    H4*    U   9           H4*        U   9  -1.314   0.156   8.504
   92    H3*    U   9           H3*        U   9  -1.617   1.753   6.004
   93    H2*    U   9           H2*        U   9   0.765   1.872   5.702
   94   2HO*    U   9          2HO*        U   9   0.750   1.626   8.342
   95    H1*    U   9           H1*        U   9   1.292  -0.794   6.187
   96    H3     U   9           H3         U   9   1.211   0.293   1.648
   97    H5     U   9           H5         U   9  -2.391  -1.632   2.607
   98    H6     U   9           H6         U   9  -1.823  -1.371   4.931
   99   1H5*    G  10          1H5*        G  10   1.203   3.797   7.287
  100   2H5*    G  10          2H5*        G  10   0.552   4.940   8.477
  101    H4*    G  10           H4*        G  10   2.419   5.966   7.453
  102    H3*    G  10           H3*        G  10  -0.198   7.134   6.546
  103    H2*    G  10           H2*        G  10   1.021   8.673   5.154
  104   2HO*    G  10          2HO*        G  10   3.001   8.074   6.953
  105    H1*    G  10           H1*        G  10   2.825   6.769   4.173
  106    H8     G  10           H8         G  10  -0.683   5.397   4.601
  107    H1     G  10           H1         G  10   0.393   8.324  -1.004
  108   1H2     G  10          1H2         G  10   2.348   9.331  -0.976
  109   2H2     G  10          2H2         G  10   3.392   9.286   0.429
  110   1H5*    C  11          1H5*        C  11   2.303  10.091   7.162
  111   2H5*    C  11          2H5*        C  11   1.873  11.075   8.574
  112    H4*    C  11           H4*        C  11   2.462  12.713   7.126
  113    H3*    C  11           H3*        C  11  -0.482  12.295   6.766
  114    H2*    C  11           H2*        C  11  -0.487  13.892   4.952
  115   2HO*    C  11          2HO*        C  11   0.944  15.453   5.177
  116    H1*    C  11           H1*        C  11   1.656  12.782   3.626
  117   1H4     C  11          H41         C  11  -3.141   9.217   1.487
  118   2H4     C  11          H42         C  11  -3.181   8.323   2.988
  119    H5     C  11           H5         C  11  -1.800   8.866   4.888
  120    H6     C  11           H6         C  11  -0.094  10.380   5.745
  121   1H5*    G  12          1H5*        G  12   0.106  16.093   6.725
  122   2H5*    G  12          2H5*        G  12  -0.822  17.152   7.806
  123    H4*    G  12           H4*        G  12  -1.124  18.076   5.702
  124    H3*    G  12           H3*        G  12  -3.522  16.428   6.447
  125    H2*    G  12           H2*        G  12  -4.518  16.984   4.319
  126   2HO*    G  12          2HO*        G  12  -3.059  19.146   4.563
  127    H1*    G  12           H1*        G  12  -2.226  16.459   2.827
  128    H8     G  12           H8         G  12  -2.245  14.039   5.674
  129    H1     G  12           H1         G  12  -6.065  12.339   0.814
  130   1H2     G  12          1H2         G  12  -6.341  14.024  -0.564
  131   2H2     G  12          2H2         G  12  -5.563  15.571  -0.307
  132   1H5*    A  13          1H5*        A  13  -5.107  19.440   4.815
  133   2H5*    A  13          2H5*        A  13  -6.600  20.043   5.560
  134    H4*    A  13           H4*        A  13  -6.987  19.225   3.306
  135    H3*    A  13           H3*        A  13  -8.350  17.698   5.515
  136    H2*    A  13           H2*        A  13  -9.354  16.306   3.839
  137   2HO*    A  13          2HO*        A  13  -9.051  18.558   2.377
  138    H1*    A  13           H1*        A  13  -7.049  16.214   2.175
  139    H8     A  13           H8         A  13  -5.769  15.528   5.553
  140   1H6     A  13          H61         A  13  -7.847   9.718   4.936
  141   2H6     A  13          H62         A  13  -6.820  10.777   5.877
  142    H2     A  13           H2         A  13  -9.660  12.202   1.681
  143   1H5*    U  14          1H5*        U  14 -10.789  18.360   2.178
  144   2H5*    U  14          2H5*        U  14 -12.075  19.452   2.726
  145    H4*    U  14           H4*        U  14 -13.167  18.010   1.298
  146    H3*    U  14           H3*        U  14 -13.628  17.204   4.130
  147    H2*    U  14           H2*        U  14 -14.832  15.239   3.405
  148   2HO*    U  14          2HO*        U  14 -15.283  16.755   1.268
  149    H1*    U  14           H1*        U  14 -12.986  14.431   1.520
  150    H3     U  14           H3         U  14 -11.848  11.691   4.906
  151    H5     U  14           H5         U  14 -10.359  15.417   6.097
  152    H6     U  14           H6         U  14 -11.470  16.386   4.197
  153   1H5*    G  15          1H5*        G  15 -17.118  17.065   2.640
  154   2H5*    G  15          2H5*        G  15 -18.547  17.560   3.568
  155    H4*    G  15           H4*        G  15 -18.688  15.229   3.287
  156    H3*    G  15           H3*        G  15 -17.950  16.033   6.078
  157    H2*    G  15           H2*        G  15 -17.770  13.713   6.706
  158   2HO*    G  15          2HO*        G  15 -19.553  13.417   4.794
  159    H1*    G  15           H1*        G  15 -16.315  12.917   4.481
  160    H8     G  15           H8         G  15 -15.112  16.358   5.129
  161    H1     G  15           H1         G  15 -12.708  12.040   9.216
  162   1H2     G  15          1H2         G  15 -13.772  10.119   9.010
  163   2H2     G  15          2H2         G  15 -15.091   9.925   7.877
  164   1H5*    A  16          1H5*        A  16 -18.676  16.138   8.559
  165   2H5*    A  16          2H5*        A  16 -19.167  14.588   7.850
  166    H4*    A  16           H4*        A  16 -19.800  15.768  10.507
  167    H3*    A  16           H3*        A  16 -18.117  13.786   9.971
  168    H2*    A  16           H2*        A  16 -19.493  12.182   8.917
  169   2HO*    A  16          2HO*        A  16 -19.029  11.286  11.044
  170    H1*    A  16           H1*        A  16 -21.994  12.728  10.481
  171    H8     A  16           H8         A  16 -21.004  14.065   7.053
  172   1H6     A  16          H61         A  16 -24.782   9.741   4.734
  173   2H6     A  16          H62         A  16 -23.784  11.126   4.349
  174    H2     A  16           H2         A  16 -24.492   9.106   9.155
  175   1H5*    A  17          1H5*        A  17 -16.073  11.079  12.812
  176   2H5*    A  17          2H5*        A  17 -15.620  11.016  11.098
  177    H4*    A  17           H4*        A  17 -16.957   9.066  12.707
  178    H3*    A  17           H3*        A  17 -15.623   9.111  10.053
  179    H2*    A  17           H2*        A  17 -16.952   7.334   9.189
  180   2HO*    A  17          2HO*        A  17 -16.741   6.427  11.588
  181    H1*    A  17           H1*        A  17 -19.384   8.001  10.415
  182    H8     A  17           H8         A  17 -17.515  11.002   8.973
  183   1H6     A  17          H61         A  17 -20.830   9.991   3.845
  184   2H6     A  17          H62         A  17 -19.708  11.077   4.644
  185    H2     A  17           H2         A  17 -21.555   6.582   6.661
  186   1H5*    A  18          1H5*        A  18 -12.064   5.146   9.774
  187   2H5*    A  18          2H5*        A  18 -12.811   6.532   8.959
  188    H4*    A  18           H4*        A  18 -14.100   3.926   9.743
  189    H3*    A  18           H3*        A  18 -13.337   5.110   7.099
  190    H2*    A  18           H2*        A  18 -15.346   4.212   6.114
  191   2HO*    A  18          2HO*        A  18 -15.053   2.402   8.013
  192    H1*    A  18           H1*        A  18 -17.043   5.002   8.173
  193    H8     A  18           H8         A  18 -14.466   7.679   7.904
  194   1H6     A  18          H61         A  18 -17.817  10.078   3.286
  195   2H6     A  18          H62         A  18 -16.485  10.354   4.388
  196    H2     A  18           H2         A  18 -19.438   6.002   4.213
  197   1H5*    G  19          1H5*        G  19 -14.274   2.054   5.455
  198   2H5*    G  19          2H5*        G  19 -12.981   1.257   4.538
  199    H4*    G  19           H4*        G  19 -14.570   1.735   2.934
  200    H3*    G  19           H3*        G  19 -12.367   3.748   2.861
  201    H2*    G  19           H2*        G  19 -13.542   5.055   1.210
  202   2HO*    G  19          2HO*        G  19 -14.595   2.721   0.593
  203    H1*    G  19           H1*        G  19 -15.962   5.081   2.510
  204    H8     G  19           H8         G  19 -13.492   4.791   5.261
  205    H1     G  19           H1         G  19 -13.904  10.735   2.920
  206   1H2     G  19          1H2         G  19 -15.079  10.738   1.043
  207   2H2     G  19          2H2         G  19 -15.753   9.266   0.376
  208   1H5*    U  20          1H5*        U  20 -13.278   3.720  -0.538
  209   2H5*    U  20          2H5*        U  20 -12.041   3.646  -1.807
  210    H4*    U  20           H4*        U  20 -13.305   5.737  -1.860
  211    H3*    U  20           H3*        U  20 -10.352   5.884  -1.338
  212    H2*    U  20           H2*        U  20 -10.509   8.261  -1.139
  213   2HO*    U  20          2HO*        U  20 -11.923   9.304  -2.326
  214    H1*    U  20           H1*        U  20 -12.999   8.290   0.216
  215    H3     U  20           H3         U  20  -9.548   9.978   2.808
  216    H5     U  20           H5         U  20  -9.914   5.899   3.710
  217    H6     U  20           H6         U  20 -11.380   5.684   1.812
  218   1H5*    C  21          1H5*        C  21 -11.687   8.931  -4.044
  219   2H5*    C  21          2H5*        C  21 -10.912   8.512  -5.584
  220    H4*    C  21           H4*        C  21 -10.785  10.816  -5.518
  221    H3*    C  21           H3*        C  21  -8.182   9.587  -4.719
  222    H2*    C  21           H2*        C  21  -7.261  11.752  -4.213
  223   2HO*    C  21          2HO*        C  21  -8.920  12.546  -6.065
  224    H1*    C  21           H1*        C  21  -9.443  12.692  -2.790
  225   1H4     C  21          H41         C  21  -6.063   9.794   1.726
  226   2H4     C  21          H42         C  21  -6.774   8.257   1.293
  227    H5     C  21           H5         C  21  -8.223   7.973  -0.618
  228    H6     C  21           H6         C  21  -9.283   9.098  -2.502
  229   1H5*    G  22          1H5*        G  22  -6.923  12.400  -7.169
  230   2H5*    G  22          2H5*        G  22  -6.146  11.787  -8.641
  231    H4*    G  22           H4*        G  22  -4.622  13.323  -7.884
  232    H3*    G  22           H3*        G  22  -3.783  10.601  -6.968
  233    H2*    G  22           H2*        G  22  -1.967  11.552  -5.714
  234   2HO*    G  22          2HO*        G  22  -2.088  13.390  -7.596
  235    H1*    G  22           H1*        G  22  -3.403  13.669  -4.623
  236    H8     G  22           H8         G  22  -5.414  10.451  -4.982
  237    H1     G  22           H1         G  22  -2.202  11.078   0.537
  238   1H2     G  22          1H2         G  22  -0.886  12.821   0.456
  239   2H2     G  22          2H2         G  22  -0.789  13.846  -0.960
  240   1H5*    C  23          1H5*        C  23  -0.362  12.529  -7.881
  241   2H5*    C  23          2H5*        C  23   0.485  11.715  -9.205
  242    H4*    C  23           H4*        C  23   2.143  12.098  -7.662
  243    H3*    C  23           H3*        C  23   1.191   9.264  -7.504
  244    H2*    C  23           H2*        C  23   2.612   8.858  -5.613
  245   2HO*    C  23          2HO*        C  23   4.265  10.363  -6.680
  246    H1*    C  23           H1*        C  23   2.031  11.227  -4.279
  247   1H4     C  23          H41         C  23  -2.267   7.236  -1.918
  248   2H4     C  23          H42         C  23  -3.238   7.346  -3.371
  249    H5     C  23           H5         C  23  -2.520   8.592  -5.325
  250    H6     C  23           H6         C  23  -0.750   9.987  -6.256
  251   1H5*    A  24          1H5*        A  24   4.427   6.827  -9.993
  252   2H5*    A  24          2H5*        A  24   3.745   5.690  -8.814
  253    H4*    A  24           H4*        A  24   5.397   8.128  -8.396
  254    H3*    A  24           H3*        A  24   6.152   5.586  -8.109
  255    H2*    A  24           H2*        A  24   4.478   4.898  -6.512
  256   2HO*    A  24          2HO*        A  24   6.859   5.167  -5.545
  257    H1*    A  24           H1*        A  24   4.830   7.526  -4.989
  258    H8     A  24           H8         A  24   1.709   6.249  -6.788
  259   1H6     A  24          H61         A  24  -0.582   5.238  -1.126
  260   2H6     A  24          H62         A  24  -0.942   5.236  -2.841
  261    H2     A  24           H2         A  24   3.695   6.476  -0.691
  262   1H5*    A  25          1H5*        A  25  10.142   4.144  -6.286
  263   2H5*    A  25          2H5*        A  25   9.037   3.306  -5.180
  264    H4*    A  25           H4*        A  25  10.574   5.832  -4.804
  265    H3*    A  25           H3*        A  25  10.922   3.288  -3.745
  266    H2*    A  25           H2*        A  25   9.393   3.273  -1.983
  267   2HO*    A  25          2HO*        A  25  10.369   4.027  -0.250
  268    H1*    A  25           H1*        A  25   9.084   6.267  -1.779
  269    H8     A  25           H8         A  25   6.840   3.789  -3.592
  270   1H6     A  25          H61         A  25   3.103   4.190   1.336
  271   2H6     A  25          H62         A  25   3.276   3.543  -0.283
  272    H2     A  25           H2         A  25   6.848   6.469   2.238
  273   1H5*    G  26          1H5*        G  26  13.750   1.949  -0.820
  274   2H5*    G  26          2H5*        G  26  12.680   0.697  -1.483
  275    H4*    G  26           H4*        G  26  11.884   3.171   0.043
  276    H3*    G  26           H3*        G  26  11.689   0.247   0.779
  277    H2*    G  26           H2*        G  26   9.784   0.884   2.113
  278   2HO*    G  26          2HO*        G  26  11.010   3.160   2.320
  279    H1*    G  26           H1*        G  26   8.682   2.472   0.064
  280    H8     G  26           H8         G  26   7.512   0.971  -1.874
  281    H1     G  26           H1         G  26   9.103  -4.215   1.550
  282   1H2     G  26          1H2         G  26  10.618  -3.696   3.065
  283   2H2     G  26          2H2         G  26  11.229  -2.067   3.239
  284   1H5*    C  27          1H5*        C  27  12.002   2.143   4.842
  285   2H5*    C  27          2H5*        C  27  13.221   1.121   5.631
  286    H4*    C  27           H4*        C  27  11.599   0.945   7.176
  287    H3*    C  27           H3*        C  27  10.909  -1.222   5.204
  288    H2*    C  27           H2*        C  27   8.996  -1.745   6.559
  289   2HO*    C  27          2HO*        C  27  10.527  -1.033   8.506
  290    H1*    C  27           H1*        C  27   8.332   0.957   7.090
  291   1H4     C  27          H41         C  27   4.575  -1.016   2.300
  292   2H4     C  27          H42         C  27   5.592  -0.085   1.230
  293    H5     C  27           H5         C  27   7.650   0.958   1.935
  294    H6     C  27           H6         C  27   9.178   1.297   3.804
  295   1H5*    A  28          1H5*        A  28  11.123  -3.573   8.676
  296   2H5*    A  28          2H5*        A  28  11.847  -5.138   8.262
  297    H4*    A  28           H4*        A  28   9.575  -5.359   9.127
  298    H3*    A  28           H3*        A  28   9.964  -6.228   6.262
  299    H2*    A  28           H2*        A  28   7.674  -6.973   6.313
  300   2HO*    A  28          2HO*        A  28   7.057  -7.786   8.173
  301    H1*    A  28           H1*        A  28   6.754  -4.682   7.719
  302    H8     A  28           H8         A  28   8.979  -3.249   5.196
  303   1H6     A  28          H61         A  28   4.485  -4.112   1.014
  304   2H6     A  28          H62         A  28   6.016  -3.321   1.335
  305    H2     A  28           H2         A  28   3.433  -6.439   4.695
  306   1H5*    C  29          1H5*        C  29   8.334  -9.348   8.699
  307   2H5*    C  29          2H5*        C  29   8.946 -10.945   8.225
  308    H4*    C  29           H4*        C  29   6.520 -10.918   8.373
  309    H3*    C  29           H3*        C  29   7.726 -11.430   5.669
  310    H2*    C  29           H2*        C  29   5.506 -11.638   4.756
  311   2HO*    C  29          2HO*        C  29   4.899 -12.600   7.033
  312    H1*    C  29           H1*        C  29   4.462  -9.409   6.098
  313   1H4     C  29          H41         C  29   6.347  -7.120   0.491
  314   2H4     C  29          H42         C  29   7.927  -6.772   1.156
  315    H5     C  29           H5         C  29   8.587  -7.483   3.382
  316    H6     C  29           H6         C  29   7.864  -8.650   5.397
  317   1H5*    G  30          1H5*        G  30   4.988 -14.341   6.124
  318   2H5*    G  30          2H5*        G  30   5.485 -15.925   5.499
  319    H4*    G  30           H4*        G  30   3.466 -15.094   4.410
  320    H3*    G  30           H3*        G  30   5.899 -15.486   2.684
  321    H2*    G  30           H2*        G  30   4.622 -14.749   0.786
  322   2HO*    G  30          2HO*        G  30   2.627 -15.788   2.235
  323    H1*    G  30           H1*        G  30   3.243 -12.694   2.170
  324    H8     G  30           H8         G  30   6.831 -12.558   3.173
  325    H1     G  30           H1         G  30   5.641  -9.859  -2.522
  326   1H2     G  30          1H2         G  30   3.581 -10.358  -3.172
  327   2H2     G  30          2H2         G  30   2.525 -11.366  -2.209
  328   1H5*    G  31          1H5*        G  31   2.465 -16.905   0.816
  329   2H5*    G  31          2H5*        G  31   2.571 -18.672   0.942
  330    H4*    G  31           H4*        G  31   1.608 -18.491  -1.096
  331    H3*    G  31           H3*        G  31   4.560 -18.575  -1.537
  332    H2*    G  31           H2*        G  31   4.281 -18.111  -3.881
  333   2HO*    G  31          2HO*        G  31   2.003 -19.332  -3.542
  334    H1*    G  31           H1*        G  31   2.483 -16.034  -3.575
  335    H8     G  31           H8         G  31   4.978 -16.348  -0.709
  336    H1     G  31           H1         G  31   6.850 -12.574  -5.545
  337   1H2     G  31          1H2         G  31   5.458 -12.728  -7.225
  338   2H2     G  31          2H2         G  31   4.059 -13.775  -7.171
  339   1H5*    U  32          1H5*        U  32   3.470 -20.741  -4.555
  340   2H5*    U  32          2H5*        U  32   4.532 -22.132  -4.848
  341    H4*    U  32           H4*        U  32   4.665 -20.573  -6.679
  342    H3*    U  32           H3*        U  32   7.158 -20.877  -5.032
  343    H2*    U  32           H2*        U  32   8.251 -19.257  -6.444
  344   2HO*    U  32          2HO*        U  32   7.534 -19.669  -8.476
  345    H1*    U  32           H1*        U  32   6.143 -17.441  -6.456
  346    H3     U  32           H3         U  32   9.161 -15.532  -3.701
  347    H5     U  32           H5         U  32   7.391 -18.546  -1.367
  348    H6     U  32           H6         U  32   6.239 -19.288  -3.343
  349   1H5*    U  33          1H5*        U  33   7.579 -21.327  -9.331
  350   2H5*    U  33          2H5*        U  33   8.898 -22.399  -9.840
  351    H4*    U  33           H4*        U  33   8.944 -20.225 -10.972
  352    H3*    U  33           H3*        U  33  11.317 -20.918  -9.249
  353    H2*    U  33           H2*        U  33  12.321 -18.831  -9.960
  354   2HO*    U  33          2HO*        U  33  10.995 -19.169 -12.121
  355    H1*    U  33           H1*        U  33  10.028 -17.323  -9.459
  356    H3     U  33           H3         U  33  12.954 -16.519  -6.062
  357    H5     U  33           H5         U  33  10.854 -19.972  -4.937
  358    H6     U  33           H6         U  33   9.919 -20.032  -7.155
  359   1H5*    C  34          1H5*        C  34  12.724 -19.715 -12.810
  360   2H5*    C  34          2H5*        C  34  14.101 -20.625 -13.463
  361    H4*    C  34           H4*        C  34  14.574 -18.238 -13.279
  362    H3*    C  34           H3*        C  34  16.237 -20.112 -11.617
  363    H2*    C  34           H2*        C  34  17.452 -18.227 -10.761
  364   2HO*    C  34          2HO*        C  34  17.103 -17.237 -13.084
  365    H1*    C  34           H1*        C  34  15.190 -16.573 -10.436
  366   1H4     C  34          H41         C  34  16.254 -19.070  -4.705
  367   2H4     C  34          H42         C  34  15.146 -20.374  -5.076
  368    H5     C  34           H5         C  34  14.174 -20.675  -7.274
  369    H6     C  34           H6         C  34  14.138 -19.842  -9.572
  370    H3T    C  34           H3T        C  34  16.435 -20.102 -13.850
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  22.156 -11.847   1.229
    2   2H5*    G   1          2H5*        G   1  21.615 -10.160   1.227
    3    H4*    G   1           H4*        G   1  22.088 -10.426  -0.977
    4    H3*    G   1           H3*        G   1  19.198 -11.245  -0.739
    5    H2*    G   1           H2*        G   1  19.223 -11.682  -3.098
    6   2HO*    G   1          2HO*        G   1  21.033  -9.727  -3.052
    7    H1*    G   1           H1*        G   1  21.860 -12.763  -3.097
    8    H8     G   1           H8         G   1  20.520 -14.586  -0.338
    9    H1     G   1           H1         G   1  17.706 -16.413  -5.802
   10   1H2     G   1          1H2         G   1  18.117 -14.951  -7.397
   11   2H2     G   1          2H2         G   1  19.089 -13.524  -7.116
   12    H5T    G   1           H5T        G   1  19.871 -10.947   2.089
   13   1H5*    A   2          1H5*        A   2  19.601  -9.165  -3.902
   14   2H5*    A   2          2H5*        A   2  18.505  -7.793  -4.148
   15    H4*    A   2           H4*        A   2  18.498  -9.144  -6.112
   16    H3*    A   2           H3*        A   2  15.952  -9.258  -4.521
   17    H2*    A   2           H2*        A   2  15.050 -10.819  -6.082
   18   2HO*    A   2          2HO*        A   2  15.469 -10.369  -8.116
   19    H1*    A   2           H1*        A   2  17.529 -12.142  -6.641
   20    H8     A   2           H8         A   2  17.368 -12.215  -3.012
   21   1H6     A   2          H61         A   2  13.358 -16.927  -3.408
   22   2H6     A   2          H62         A   2  14.424 -16.028  -2.354
   23    H2     A   2           H2         A   2  13.677 -15.008  -7.459
   24   1H5*    G   3          1H5*        G   3  15.499  -8.706  -8.672
   25   2H5*    G   3          2H5*        G   3  14.775  -7.108  -8.945
   26    H4*    G   3           H4*        G   3  13.802  -8.362 -10.594
   27    H3*    G   3           H3*        G   3  11.936  -8.277  -8.250
   28    H2*    G   3           H2*        G   3  10.409  -9.733  -9.419
   29   2HO*    G   3          2HO*        G   3  11.452  -8.625 -11.539
   30    H1*    G   3           H1*        G   3  12.350 -11.546 -10.242
   31    H8     G   3           H8         G   3  13.400 -10.177  -6.921
   32    H1     G   3           H1         G   3   9.139 -14.951  -6.536
   33   1H2     G   3          1H2         G   3   8.278 -15.374  -8.490
   34   2H2     G   3          2H2         G   3   8.744 -14.483  -9.923
   35   1H5*    C   4          1H5*        C   4   9.765  -7.861 -11.236
   36   2H5*    C   4          2H5*        C   4   8.743  -6.424 -11.432
   37    H4*    C   4           H4*        C   4   7.229  -8.105 -11.736
   38    H3*    C   4           H3*        C   4   7.128  -7.379  -8.816
   39    H2*    C   4           H2*        C   4   5.400  -9.058  -8.552
   40   2HO*    C   4          2HO*        C   4   5.108  -8.618 -11.193
   41    H1*    C   4           H1*        C   4   6.811 -11.025  -9.912
   42   1H4     C   4          H41         C   4   8.949 -11.708  -3.979
   43   2H4     C   4          H42         C   4   9.937 -10.274  -4.130
   44    H5     C   4           H5         C   4   9.901  -8.861  -6.090
   45    H6     C   4           H6         C   4   8.882  -8.513  -8.274
   46   1H5*    C   5          1H5*        C   5   3.752  -8.124  -9.944
   47   2H5*    C   5          2H5*        C   5   2.342  -7.271  -9.284
   48    H4*    C   5           H4*        C   5   2.378  -9.672  -8.735
   49    H3*    C   5           H3*        C   5   2.450  -7.710  -6.449
   50    H2*    C   5           H2*        C   5   2.453  -9.578  -4.937
   51   2HO*    C   5          2HO*        C   5   1.248 -11.211  -5.566
   52    H1*    C   5           H1*        C   5   4.237 -11.146  -6.493
   53   1H4     C   5          H41         C   5   7.627  -8.568  -1.802
   54   2H4     C   5          H42         C   5   8.139  -7.275  -2.878
   55    H5     C   5           H5         C   5   7.198  -7.025  -5.122
   56    H6     C   5           H6         C   5   5.598  -7.940  -6.723
   57   1H5*    G   6          1H5*        G   6  -0.488 -10.524  -5.569
   58   2H5*    G   6          2H5*        G   6  -2.042  -9.677  -5.678
   59    H4*    G   6           H4*        G   6  -2.419 -10.907  -3.821
   60    H3*    G   6           H3*        G   6  -1.192  -8.351  -2.822
   61    H2*    G   6           H2*        G   6  -1.328  -9.238  -0.579
   62   2HO*    G   6          2HO*        G   6  -2.900 -10.595  -0.178
   63    H1*    G   6           H1*        G   6  -0.244 -11.708  -1.236
   64    H8     G   6           H8         G   6   1.184  -8.897  -3.348
   65    H1     G   6           H1         G   6   4.214  -9.873   2.218
   66   1H2     G   6          1H2         G   6   3.099 -11.293   3.459
   67   2H2     G   6          2H2         G   6   1.590 -12.007   2.929
   68   1H5*    U   7          1H5*        U   7  -4.447  -9.402  -0.543
   69   2H5*    U   7          2H5*        U   7  -5.339  -8.045   0.172
   70    H4*    U   7           H4*        U   7  -4.487  -9.583   1.861
   71    H3*    U   7           H3*        U   7  -3.445  -6.764   1.908
   72    H2*    U   7           H2*        U   7  -2.112  -7.345   3.845
   73   2HO*    U   7          2HO*        U   7  -4.016  -9.169   4.162
   74    H1*    U   7           H1*        U   7  -1.114  -9.703   2.734
   75    H3     U   7           H3         U   7   2.338  -6.842   2.370
   76    H5     U   7           H5         U   7  -0.092  -6.018  -0.952
   77    H6     U   7           H6         U   7  -1.789  -7.410   0.045
   78   1H5*    G   8          1H5*        G   8  -4.203  -7.336   5.583
   79   2H5*    G   8          2H5*        G   8  -4.932  -5.972   6.454
   80    H4*    G   8           H4*        G   8  -2.779  -6.457   7.381
   81    H3*    G   8           H3*        G   8  -2.894  -3.854   5.867
   82    H2*    G   8           H2*        G   8  -0.598  -3.489   6.439
   83   2HO*    G   8          2HO*        G   8  -1.309  -4.790   8.621
   84    H1*    G   8           H1*        G   8   0.165  -6.231   6.189
   85    H8     G   8           H8         G   8  -1.638  -5.602   3.095
   86    H1     G   8           H1         G   8   4.012  -2.570   3.246
   87   1H2     G   8          1H2         G   8   4.837  -2.620   5.263
   88   2H2     G   8          2H2         G   8   4.000  -3.382   6.596
   89   1H5*    U   9          1H5*        U   9  -2.542  -0.381   6.379
   90   2H5*    U   9          2H5*        U   9  -1.679  -1.776   5.703
   91    H4*    U   9           H4*        U   9  -0.167  -0.201   7.668
   92    H3*    U   9           H3*        U   9  -1.139   1.139   5.165
   93    H2*    U   9           H2*        U   9   1.067   2.041   4.806
   94   2HO*    U   9          2HO*        U   9   2.460   2.245   6.423
   95    H1*    U   9           H1*        U   9   2.410  -0.343   5.274
   96    H3     U   9           H3         U   9   2.087   0.643   0.750
   97    H5     U   9           H5         U   9  -1.036  -2.002   1.683
   98    H6     U   9           H6         U   9  -0.522  -1.669   4.010
   99   1H5*    G  10          1H5*        G  10   1.298   3.531   6.788
  100   2H5*    G  10          2H5*        G  10   0.460   4.744   7.775
  101    H4*    G  10           H4*        G  10   2.524   5.603   6.788
  102    H3*    G  10           H3*        G  10  -0.063   6.915   6.001
  103    H2*    G  10           H2*        G  10   1.173   8.435   4.606
  104   2HO*    G  10          2HO*        G  10   3.089   7.909   6.408
  105    H1*    G  10           H1*        G  10   2.930   6.491   3.574
  106    H8     G  10           H8         G  10  -0.270   4.729   3.546
  107    H1     G  10           H1         G  10   0.076   9.219  -1.027
  108   1H2     G  10          1H2         G  10   1.777  10.563  -0.644
  109   2H2     G  10          2H2         G  10   2.832  10.352   0.735
  110   1H5*    C  11          1H5*        C  11   2.405   9.901   7.040
  111   2H5*    C  11          2H5*        C  11   1.939  10.647   8.580
  112    H4*    C  11           H4*        C  11   2.456  12.506   7.401
  113    H3*    C  11           H3*        C  11  -0.464  12.019   6.998
  114    H2*    C  11           H2*        C  11  -0.583  13.796   5.376
  115   2HO*    C  11          2HO*        C  11   1.411  14.771   6.767
  116    H1*    C  11           H1*        C  11   1.653  13.044   3.939
  117   1H4     C  11          H41         C  11  -2.848   9.531   1.182
  118   2H4     C  11          H42         C  11  -2.808   8.391   2.506
  119    H5     C  11           H5         C  11  -1.478   8.723   4.495
  120    H6     C  11           H6         C  11   0.096  10.210   5.614
  121   1H5*    G  12          1H5*        G  12  -0.310  16.042   7.416
  122   2H5*    G  12          2H5*        G  12  -1.705  16.678   8.309
  123    H4*    G  12           H4*        G  12  -1.609  17.529   6.026
  124    H3*    G  12           H3*        G  12  -3.985  15.809   6.713
  125    H2*    G  12           H2*        G  12  -4.820  16.217   4.494
  126   2HO*    G  12          2HO*        G  12  -4.369  18.069   3.577
  127    H1*    G  12           H1*        G  12  -2.305  15.916   3.238
  128    H8     G  12           H8         G  12  -2.432  13.224   5.747
  129    H1     G  12           H1         G  12  -6.074  12.018   0.605
  130   1H2     G  12          1H2         G  12  -6.345  13.844  -0.575
  131   2H2     G  12          2H2         G  12  -5.624  15.367  -0.111
  132   1H5*    A  13          1H5*        A  13  -5.226  19.186   4.932
  133   2H5*    A  13          2H5*        A  13  -6.734  19.897   5.539
  134    H4*    A  13           H4*        A  13  -6.877  19.453   3.166
  135    H3*    A  13           H3*        A  13  -8.702  17.803   4.906
  136    H2*    A  13           H2*        A  13  -9.589  16.811   2.903
  137   2HO*    A  13          2HO*        A  13  -8.934  19.171   1.886
  138    H1*    A  13           H1*        A  13  -7.086  16.576   1.607
  139    H8     A  13           H8         A  13  -6.508  15.505   5.098
  140   1H6     A  13          H61         A  13  -8.797   9.964   3.552
  141   2H6     A  13          H62         A  13  -7.894  10.867   4.752
  142    H2     A  13           H2         A  13  -9.784  12.841   0.262
  143   1H5*    U  14          1H5*        U  14 -10.835  18.928   1.584
  144   2H5*    U  14          2H5*        U  14 -12.102  20.033   2.155
  145    H4*    U  14           H4*        U  14 -13.245  18.692   0.689
  146    H3*    U  14           H3*        U  14 -13.678  17.719   3.469
  147    H2*    U  14           H2*        U  14 -14.869  15.782   2.660
  148   2HO*    U  14          2HO*        U  14 -15.319  17.419   0.583
  149    H1*    U  14           H1*        U  14 -13.073  15.102   0.673
  150    H3     U  14           H3         U  14 -11.821  12.133   3.793
  151    H5     U  14           H5         U  14 -10.336  15.775   5.242
  152    H6     U  14           H6         U  14 -11.518  16.875   3.460
  153   1H5*    G  15          1H5*        G  15 -17.354  17.673   2.139
  154   2H5*    G  15          2H5*        G  15 -18.633  18.138   3.278
  155    H4*    G  15           H4*        G  15 -18.851  15.820   2.832
  156    H3*    G  15           H3*        G  15 -17.872  16.453   5.591
  157    H2*    G  15           H2*        G  15 -17.682  14.100   6.073
  158   2HO*    G  15          2HO*        G  15 -19.617  13.932   4.301
  159    H1*    G  15           H1*        G  15 -16.420  13.415   3.699
  160    H8     G  15           H8         G  15 -15.135  16.813   4.445
  161    H1     G  15           H1         G  15 -12.435  12.249   8.049
  162   1H2     G  15          1H2         G  15 -13.531  10.345   7.817
  163   2H2     G  15          2H2         G  15 -14.939  10.219   6.788
  164   1H5*    A  16          1H5*        A  16 -18.371  16.258   8.110
  165   2H5*    A  16          2H5*        A  16 -18.921  14.695   7.476
  166    H4*    A  16           H4*        A  16 -19.222  15.882  10.180
  167    H3*    A  16           H3*        A  16 -17.668  13.860   9.449
  168    H2*    A  16           H2*        A  16 -19.194  12.285   8.571
  169   2HO*    A  16          2HO*        A  16 -18.523  11.469  10.755
  170    H1*    A  16           H1*        A  16 -21.488  12.886  10.401
  171    H8     A  16           H8         A  16 -20.891  14.283   6.910
  172   1H6     A  16          H61         A  16 -24.952  10.034   4.962
  173   2H6     A  16          H62         A  16 -23.990  11.420   4.492
  174    H2     A  16           H2         A  16 -24.152   9.301   9.304
  175   1H5*    A  17          1H5*        A  17 -15.372  10.780  11.824
  176   2H5*    A  17          2H5*        A  17 -15.789  11.304  10.180
  177    H4*    A  17           H4*        A  17 -16.670   8.889  11.701
  178    H3*    A  17           H3*        A  17 -15.359   9.352   9.059
  179    H2*    A  17           H2*        A  17 -16.628   7.618   8.025
  180   2HO*    A  17          2HO*        A  17 -16.310   6.428  10.258
  181    H1*    A  17           H1*        A  17 -19.050   8.053   9.405
  182    H8     A  17           H8         A  17 -17.311  11.196   8.120
  183   1H6     A  17          H61         A  17 -20.857  10.541   3.090
  184   2H6     A  17          H62         A  17 -19.713  11.579   3.921
  185    H2     A  17           H2         A  17 -21.407   6.911   5.656
  186   1H5*    A  18          1H5*        A  18 -11.787   5.374   8.240
  187   2H5*    A  18          2H5*        A  18 -12.583   6.800   7.548
  188    H4*    A  18           H4*        A  18 -13.807   4.130   8.214
  189    H3*    A  18           H3*        A  18 -13.202   5.502   5.617
  190    H2*    A  18           H2*        A  18 -15.246   4.611   4.689
  191   2HO*    A  18          2HO*        A  18 -14.829   2.720   6.503
  192    H1*    A  18           H1*        A  18 -16.836   5.277   6.864
  193    H8     A  18           H8         A  18 -14.275   7.975   6.631
  194   1H6     A  18          H61         A  18 -17.832  10.625   2.314
  195   2H6     A  18          H62         A  18 -16.449  10.837   3.366
  196    H2     A  18           H2         A  18 -19.420   6.505   3.091
  197   1H5*    G  19          1H5*        G  19 -14.370   2.574   3.967
  198   2H5*    G  19          2H5*        G  19 -13.218   1.741   2.905
  199    H4*    G  19           H4*        G  19 -14.943   2.291   1.477
  200    H3*    G  19           H3*        G  19 -12.705   4.247   1.219
  201    H2*    G  19           H2*        G  19 -14.000   5.640  -0.263
  202   2HO*    G  19          2HO*        G  19 -15.195   3.359  -0.826
  203    H1*    G  19           H1*        G  19 -16.264   5.711   1.288
  204    H8     G  19           H8         G  19 -13.606   5.206   3.796
  205    H1     G  19           H1         G  19 -13.830  11.244   1.691
  206   1H2     G  19          1H2         G  19 -15.147  11.379  -0.104
  207   2H2     G  19          2H2         G  19 -15.961   9.971  -0.755
  208   1H5*    U  20          1H5*        U  20 -13.727   4.411  -2.161
  209   2H5*    U  20          2H5*        U  20 -12.487   4.322  -3.426
  210    H4*    U  20           H4*        U  20 -13.526   6.488  -3.445
  211    H3*    U  20           H3*        U  20 -10.652   6.483  -2.540
  212    H2*    U  20           H2*        U  20 -10.783   8.884  -2.368
  213   2HO*    U  20          2HO*        U  20 -12.601   8.567  -4.268
  214    H1*    U  20           H1*        U  20 -13.316   8.901  -1.146
  215    H3     U  20           H3         U  20  -9.910  10.196   1.715
  216    H5     U  20           H5         U  20 -10.578   6.089   2.324
  217    H6     U  20           H6         U  20 -11.948   6.101   0.347
  218   1H5*    C  21          1H5*        C  21 -11.581   9.630  -5.119
  219   2H5*    C  21          2H5*        C  21 -10.648   9.364  -6.604
  220    H4*    C  21           H4*        C  21 -10.606  11.668  -6.268
  221    H3*    C  21           H3*        C  21  -8.029  10.370  -5.492
  222    H2*    C  21           H2*        C  21  -7.162  12.465  -4.684
  223   2HO*    C  21          2HO*        C  21  -8.834  13.448  -6.487
  224    H1*    C  21           H1*        C  21  -9.417  13.212  -3.267
  225   1H4     C  21          H41         C  21  -6.191   9.801   1.005
  226   2H4     C  21          H42         C  21  -6.909   8.334   0.384
  227    H5     C  21           H5         C  21  -8.316   8.282  -1.576
  228    H6     C  21           H6         C  21  -9.265   9.612  -3.384
  229   1H5*    G  22          1H5*        G  22  -6.918  13.883  -6.710
  230   2H5*    G  22          2H5*        G  22  -6.186  13.735  -8.320
  231    H4*    G  22           H4*        G  22  -4.715  15.156  -7.348
  232    H3*    G  22           H3*        G  22  -3.665  12.393  -6.874
  233    H2*    G  22           H2*        G  22  -1.894  13.285  -5.506
  234   2HO*    G  22          2HO*        G  22  -2.322  15.442  -7.020
  235    H1*    G  22           H1*        G  22  -3.487  15.003  -4.034
  236    H8     G  22           H8         G  22  -5.328  11.818  -5.014
  237    H1     G  22           H1         G  22  -2.003  11.485   0.461
  238   1H2     G  22          1H2         G  22  -0.751  13.268   0.694
  239   2H2     G  22          2H2         G  22  -0.728  14.550  -0.495
  240   1H5*    C  23          1H5*        C  23  -0.724  14.557  -7.199
  241   2H5*    C  23          2H5*        C  23   0.457  14.274  -8.487
  242    H4*    C  23           H4*        C  23   1.807  14.402  -6.667
  243    H3*    C  23           H3*        C  23   1.177  11.499  -7.124
  244    H2*    C  23           H2*        C  23   2.476  10.946  -5.177
  245   2HO*    C  23          2HO*        C  23   3.932  12.897  -5.816
  246    H1*    C  23           H1*        C  23   1.416  12.968  -3.580
  247   1H4     C  23          H41         C  23  -2.394   8.083  -2.324
  248   2H4     C  23          H42         C  23  -3.234   8.284  -3.848
  249    H5     C  23           H5         C  23  -2.545   9.911  -5.512
  250    H6     C  23           H6         C  23  -0.920  11.653  -6.040
  251   1H5*    A  24          1H5*        A  24   5.383   9.614  -9.633
  252   2H5*    A  24          2H5*        A  24   3.764   9.324  -8.967
  253    H4*    A  24           H4*        A  24   5.652  11.185  -7.591
  254    H3*    A  24           H3*        A  24   6.553   8.627  -7.981
  255    H2*    A  24           H2*        A  24   4.831   7.481  -6.770
  256   2HO*    A  24          2HO*        A  24   6.944   7.490  -5.504
  257    H1*    A  24           H1*        A  24   4.715   9.838  -4.813
  258    H8     A  24           H8         A  24   1.698   9.033  -6.825
  259   1H6     A  24          H61         A  24  -0.401   5.864  -1.931
  260   2H6     A  24          H62         A  24  -0.830   6.526  -3.497
  261    H2     A  24           H2         A  24   3.891   6.861  -1.197
  262   1H5*    A  25          1H5*        A  25  10.335   7.043  -6.857
  263   2H5*    A  25          2H5*        A  25   9.104   5.901  -7.427
  264    H4*    A  25           H4*        A  25  10.363   6.192  -4.758
  265    H3*    A  25           H3*        A  25  10.702   4.219  -6.468
  266    H2*    A  25           H2*        A  25   8.481   3.508  -6.870
  267   2HO*    A  25          2HO*        A  25   9.556   2.253  -4.607
  268    H1*    A  25           H1*        A  25   7.519   3.821  -4.031
  269    H8     A  25           H8         A  25   7.073   6.139  -7.026
  270   1H6     A  25          H61         A  25   1.273   3.987  -7.306
  271   2H6     A  25          H62         A  25   2.400   5.157  -7.956
  272    H2     A  25           H2         A  25   3.485   1.636  -4.199
  273   1H5*    G  26          1H5*        G  26  12.974   1.157  -1.919
  274   2H5*    G  26          2H5*        G  26  11.995   0.747  -3.341
  275    H4*    G  26           H4*        G  26  11.164   2.831  -1.336
  276    H3*    G  26           H3*        G  26  10.616  -0.132  -1.190
  277    H2*    G  26           H2*        G  26   8.436   0.414  -0.350
  278   2HO*    G  26          2HO*        G  26   9.600   2.424   0.721
  279    H1*    G  26           H1*        G  26   8.006   2.497  -2.207
  280    H8     G  26           H8         G  26   7.321   1.573  -4.643
  281    H1     G  26           H1         G  26   7.528  -4.352  -2.197
  282   1H2     G  26          1H2         G  26   8.620  -4.350  -0.278
  283   2H2     G  26          2H2         G  26   9.280  -2.878   0.402
  284   1H5*    C  27          1H5*        C  27  11.638   1.277   3.149
  285   2H5*    C  27          2H5*        C  27  12.877   0.157   3.751
  286    H4*    C  27           H4*        C  27  11.417   0.097   5.484
  287    H3*    C  27           H3*        C  27  10.485  -2.091   3.633
  288    H2*    C  27           H2*        C  27   8.711  -2.545   5.193
  289   2HO*    C  27          2HO*        C  27  10.483  -1.684   6.940
  290    H1*    C  27           H1*        C  27   8.145   0.177   5.707
  291   1H4     C  27          H41         C  27   3.932  -1.920   1.397
  292   2H4     C  27          H42         C  27   4.846  -1.069   0.177
  293    H5     C  27           H5         C  27   6.984  -0.036   0.624
  294    H6     C  27           H6         C  27   8.691   0.371   2.322
  295   1H5*    A  28          1H5*        A  28  10.750  -3.675   7.474
  296   2H5*    A  28          2H5*        A  28  11.738  -5.149   7.495
  297    H4*    A  28           H4*        A  28   9.791  -5.603   8.744
  298    H3*    A  28           H3*        A  28   9.700  -6.925   6.038
  299    H2*    A  28           H2*        A  28   7.589  -7.908   6.698
  300   2HO*    A  28          2HO*        A  28   8.599  -7.717   9.104
  301    H1*    A  28           H1*        A  28   6.553  -5.513   7.715
  302    H8     A  28           H8         A  28   8.530  -4.409   4.811
  303   1H6     A  28          H61         A  28   3.763  -6.003   1.198
  304   2H6     A  28          H62         A  28   5.296  -5.163   1.279
  305    H2     A  28           H2         A  28   3.051  -7.721   5.288
  306   1H5*    C  29          1H5*        C  29   9.394 -10.155   8.912
  307   2H5*    C  29          2H5*        C  29  10.168 -11.616   8.269
  308    H4*    C  29           H4*        C  29   7.830 -11.993   8.842
  309    H3*    C  29           H3*        C  29   8.645 -12.330   5.976
  310    H2*    C  29           H2*        C  29   6.358 -12.844   5.395
  311   2HO*    C  29          2HO*        C  29   6.259 -13.730   7.844
  312    H1*    C  29           H1*        C  29   5.238 -10.733   6.813
  313   1H4     C  29          H41         C  29   6.458  -8.225   1.111
  314   2H4     C  29          H42         C  29   8.054  -7.755   1.658
  315    H5     C  29           H5         C  29   8.949  -8.416   3.805
  316    H6     C  29           H6         C  29   8.498  -9.654   5.856
  317   1H5*    G  30          1H5*        G  30   6.389 -15.579   6.583
  318   2H5*    G  30          2H5*        G  30   7.029 -17.036   5.799
  319    H4*    G  30           H4*        G  30   4.827 -16.424   4.948
  320    H3*    G  30           H3*        G  30   7.120 -16.358   3.004
  321    H2*    G  30           H2*        G  30   5.609 -15.657   1.285
  322   2HO*    G  30          2HO*        G  30   3.593 -16.332   1.311
  323    H1*    G  30           H1*        G  30   4.015 -14.000   2.971
  324    H8     G  30           H8         G  30   7.483 -13.071   3.732
  325    H1     G  30           H1         G  30   5.494 -10.729  -1.892
  326   1H2     G  30          1H2         G  30   3.606 -11.733  -2.504
  327   2H2     G  30          2H2         G  30   2.860 -12.976  -1.526
  328   1H5*    G  31          1H5*        G  31   3.688 -18.049   1.359
  329   2H5*    G  31          2H5*        G  31   4.029 -19.786   1.241
  330    H4*    G  31           H4*        G  31   2.817 -19.467  -0.653
  331    H3*    G  31           H3*        G  31   5.701 -19.149  -1.401
  332    H2*    G  31           H2*        G  31   5.045 -18.593  -3.658
  333   2HO*    G  31          2HO*        G  31   2.953 -20.070  -3.071
  334    H1*    G  31           H1*        G  31   3.099 -16.767  -2.923
  335    H8     G  31           H8         G  31   5.881 -16.784  -0.373
  336    H1     G  31           H1         G  31   6.956 -13.006  -5.441
  337   1H2     G  31          1H2         G  31   5.458 -13.355  -6.992
  338   2H2     G  31          2H2         G  31   4.181 -14.537  -6.800
  339   1H5*    U  32          1H5*        U  32   4.201 -21.018  -4.245
  340   2H5*    U  32          2H5*        U  32   4.966 -22.499  -4.857
  341    H4*    U  32           H4*        U  32   4.852 -21.079  -6.694
  342    H3*    U  32           H3*        U  32   7.621 -21.128  -5.546
  343    H2*    U  32           H2*        U  32   8.318 -19.517  -7.208
  344   2HO*    U  32          2HO*        U  32   6.316 -20.580  -8.573
  345    H1*    U  32           H1*        U  32   6.191 -17.795  -6.815
  346    H3     U  32           H3         U  32   9.458 -15.734  -4.469
  347    H5     U  32           H5         U  32   8.237 -18.876  -1.985
  348    H6     U  32           H6         U  32   6.877 -19.687  -3.795
  349   1H5*    U  33          1H5*        U  33   8.031 -21.633  -9.697
  350   2H5*    U  33          2H5*        U  33   9.429 -22.644 -10.111
  351    H4*    U  33           H4*        U  33   9.571 -20.391 -11.063
  352    H3*    U  33           H3*        U  33  11.715 -21.198  -9.108
  353    H2*    U  33           H2*        U  33  12.745 -19.038  -9.457
  354   2HO*    U  33          2HO*        U  33  11.631 -19.215 -11.809
  355    H1*    U  33           H1*        U  33  10.364 -17.605  -9.199
  356    H3     U  33           H3         U  33  12.753 -16.989  -5.386
  357    H5     U  33           H5         U  33  10.621 -20.556  -4.791
  358    H6     U  33           H6         U  33   9.998 -20.476  -7.115
  359   1H5*    C  34          1H5*        C  34  13.280 -19.508 -12.656
  360   2H5*    C  34          2H5*        C  34  14.718 -20.360 -13.252
  361    H4*    C  34           H4*        C  34  15.050 -17.946 -13.157
  362    H3*    C  34           H3*        C  34  16.795 -19.660 -11.414
  363    H2*    C  34           H2*        C  34  17.884 -17.686 -10.594
  364   2HO*    C  34          2HO*        C  34  17.744 -15.753 -11.647
  365    H1*    C  34           H1*        C  34  15.532 -16.160 -10.330
  366   1H4     C  34          H41         C  34  16.577 -18.512  -4.537
  367   2H4     C  34          H42         C  34  15.638 -19.930  -4.943
  368    H5     C  34           H5         C  34  14.776 -20.336  -7.165
  369    H6     C  34           H6         C  34  14.742 -19.529  -9.472
  370    H3T    C  34           H3T        C  34  17.608 -18.021 -13.487
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  21.755 -11.492   1.069
    2   2H5*    G   1          2H5*        G   1  20.567 -10.177   1.086
    3    H4*    G   1           H4*        G   1  21.603 -10.455  -1.105
    4    H3*    G   1           H3*        G   1  18.640 -10.996  -0.976
    5    H2*    G   1           H2*        G   1  18.706 -11.325  -3.354
    6   2HO*    G   1          2HO*        G   1  20.512  -9.493  -3.288
    7    H1*    G   1           H1*        G   1  21.202 -12.687  -3.316
    8    H8     G   1           H8         G   1  19.563 -14.422  -0.654
    9    H1     G   1           H1         G   1  16.793 -15.794  -6.270
   10   1H2     G   1          1H2         G   1  17.409 -14.332  -7.804
   11   2H2     G   1          2H2         G   1  18.510 -13.022  -7.441
   12    H5T    G   1           H5T        G   1  18.956 -11.596   1.257
   13   1H5*    A   2          1H5*        A   2  19.275  -8.027  -3.911
   14   2H5*    A   2          2H5*        A   2  17.969  -6.826  -3.940
   15    H4*    A   2           H4*        A   2  18.330  -7.857  -6.124
   16    H3*    A   2           H3*        A   2  15.654  -8.316  -4.822
   17    H2*    A   2           H2*        A   2  14.990  -9.570  -6.762
   18   2HO*    A   2          2HO*        A   2  16.808  -7.958  -7.931
   19    H1*    A   2           H1*        A   2  17.474 -10.885  -7.083
   20    H8     A   2           H8         A   2  16.904 -11.134  -3.478
   21   1H6     A   2          H61         A   2  12.954 -15.759  -4.595
   22   2H6     A   2          H62         A   2  13.883 -14.930  -3.370
   23    H2     A   2           H2         A   2  13.755 -13.645  -8.471
   24   1H5*    G   3          1H5*        G   3  15.235  -7.919  -8.769
   25   2H5*    G   3          2H5*        G   3  14.361  -6.413  -9.110
   26    H4*    G   3           H4*        G   3  13.429  -7.924 -10.584
   27    H3*    G   3           H3*        G   3  11.642  -7.726  -8.171
   28    H2*    G   3           H2*        G   3  10.155  -9.295  -9.229
   29   2HO*    G   3          2HO*        G   3  10.045  -8.904 -11.340
   30    H1*    G   3           H1*        G   3  12.216 -10.983 -10.164
   31    H8     G   3           H8         G   3  12.863  -9.681  -6.678
   32    H1     G   3           H1         G   3   9.254 -14.975  -6.934
   33   1H2     G   3          1H2         G   3   8.672 -15.406  -9.007
   34   2H2     G   3          2H2         G   3   9.170 -14.382 -10.335
   35   1H5*    C   4          1H5*        C   4   9.396  -7.195 -11.252
   36   2H5*    C   4          2H5*        C   4   8.433  -5.713 -11.404
   37    H4*    C   4           H4*        C   4   6.840  -7.294 -11.777
   38    H3*    C   4           H3*        C   4   6.787  -6.751  -8.817
   39    H2*    C   4           H2*        C   4   4.992  -8.368  -8.642
   40   2HO*    C   4          2HO*        C   4   3.829  -8.904 -10.353
   41    H1*    C   4           H1*        C   4   6.318 -10.306 -10.122
   42   1H4     C   4          H41         C   4   8.521 -11.414  -4.276
   43   2H4     C   4          H42         C   4   9.538  -9.995  -4.351
   44    H5     C   4           H5         C   4   9.511  -8.459  -6.213
   45    H6     C   4           H6         C   4   8.471  -7.947  -8.356
   46   1H5*    C   5          1H5*        C   5   3.234  -7.142  -9.894
   47   2H5*    C   5          2H5*        C   5   1.985  -6.206  -9.050
   48    H4*    C   5           H4*        C   5   1.773  -8.620  -8.684
   49    H3*    C   5           H3*        C   5   2.330  -6.919  -6.259
   50    H2*    C   5           H2*        C   5   2.168  -8.931  -4.933
   51   2HO*    C   5          2HO*        C   5   0.604  -9.695  -6.965
   52    H1*    C   5           H1*        C   5   3.697 -10.487  -6.718
   53   1H4     C   5          H41         C   5   7.686  -8.422  -2.238
   54   2H4     C   5          H42         C   5   8.179  -7.118  -3.303
   55    H5     C   5           H5         C   5   7.070  -6.670  -5.415
   56    H6     C   5           H6         C   5   5.271  -7.375  -6.907
   57   1H5*    G   6          1H5*        G   6  -0.661  -9.535  -5.441
   58   2H5*    G   6          2H5*        G   6  -2.181  -8.619  -5.472
   59    H4*    G   6           H4*        G   6  -2.656 -10.066  -3.804
   60    H3*    G   6           H3*        G   6  -1.398  -7.684  -2.486
   61    H2*    G   6           H2*        G   6  -1.512  -8.819  -0.357
   62   2HO*    G   6          2HO*        G   6  -3.539 -10.054  -1.500
   63    H1*    G   6           H1*        G   6  -0.457 -11.207  -1.279
   64    H8     G   6           H8         G   6   0.904  -8.170  -3.132
   65    H1     G   6           H1         G   6   4.179  -9.832   2.124
   66   1H2     G   6          1H2         G   6   3.108 -11.408   3.223
   67   2H2     G   6          2H2         G   6   1.570 -12.038   2.675
   68   1H5*    U   7          1H5*        U   7  -4.324  -8.724  -0.128
   69   2H5*    U   7          2H5*        U   7  -5.235  -7.401   0.627
   70    H4*    U   7           H4*        U   7  -4.187  -8.782   2.304
   71    H3*    U   7           H3*        U   7  -3.068  -5.990   2.102
   72    H2*    U   7           H2*        U   7  -1.699  -6.544   4.035
   73   2HO*    U   7          2HO*        U   7  -3.632  -8.333   4.439
   74    H1*    U   7           H1*        U   7  -0.783  -8.919   2.909
   75    H3     U   7           H3         U   7   2.556  -5.898   2.399
   76    H5     U   7           H5         U   7   0.067  -5.370  -0.937
   77    H6     U   7           H6         U   7  -1.546  -6.804   0.138
   78   1H5*    G   8          1H5*        G   8  -3.715  -6.826   5.743
   79   2H5*    G   8          2H5*        G   8  -4.471  -5.637   6.821
   80    H4*    G   8           H4*        G   8  -2.408  -6.337   7.778
   81    H3*    G   8           H3*        G   8  -2.315  -3.516   6.727
   82    H2*    G   8           H2*        G   8  -0.058  -3.365   7.505
   83   2HO*    G   8          2HO*        G   8  -0.962  -4.853   9.427
   84    H1*    G   8           H1*        G   8   0.602  -6.084   6.890
   85    H8     G   8           H8         G   8  -0.804  -4.966   3.767
   86    H1     G   8           H1         G   8   4.830  -2.127   4.903
   87   1H2     G   8          1H2         G   8   5.454  -2.469   6.981
   88   2H2     G   8          2H2         G   8   4.467  -3.378   8.102
   89   1H5*    U   9          1H5*        U   9  -2.830   0.272   8.652
   90   2H5*    U   9          2H5*        U   9  -2.381  -0.404   7.074
   91    H4*    U   9           H4*        U   9  -0.552   0.638   9.228
   92    H3*    U   9           H3*        U   9  -1.350   1.740   6.559
   93    H2*    U   9           H2*        U   9   0.910   2.464   6.162
   94   2HO*    U   9          2HO*        U   9   0.976   2.349   8.887
   95    H1*    U   9           H1*        U   9   2.132   0.114   7.005
   96    H3     U   9           H3         U   9   2.217   0.308   2.414
   97    H5     U   9           H5         U   9  -1.283  -1.761   3.453
   98    H6     U   9           H6         U   9  -0.909  -1.095   5.736
   99   1H5*    G  10          1H5*        G  10   1.151   4.192   7.844
  100   2H5*    G  10          2H5*        G  10   0.389   5.577   8.650
  101    H4*    G  10           H4*        G  10   2.453   6.197   7.507
  102    H3*    G  10           H3*        G  10  -0.103   7.459   6.555
  103    H2*    G  10           H2*        G  10   1.133   8.664   4.895
  104   2HO*    G  10          2HO*        G  10   3.019   8.547   6.753
  105    H1*    G  10           H1*        G  10   2.914   6.548   4.267
  106    H8     G  10           H8         G  10  -0.457   5.043   4.423
  107    H1     G  10           H1         G  10   0.583   8.338  -0.988
  108   1H2     G  10          1H2         G  10   2.403   9.563  -0.792
  109   2H2     G  10          2H2         G  10   3.354   9.575   0.677
  110   1H5*    C  11          1H5*        C  11   2.550  10.603   6.715
  111   2H5*    C  11          2H5*        C  11   2.097  11.516   8.168
  112    H4*    C  11           H4*        C  11   2.498  13.231   6.749
  113    H3*    C  11           H3*        C  11  -0.410  12.590   6.537
  114    H2*    C  11           H2*        C  11  -0.674  14.118   4.695
  115   2HO*    C  11          2HO*        C  11   1.303  15.370   5.854
  116    H1*    C  11           H1*        C  11   1.538  13.279   3.272
  117   1H4     C  11          H41         C  11  -2.846   9.189   1.205
  118   2H4     C  11          H42         C  11  -2.731   8.272   2.686
  119    H5     C  11           H5         C  11  -1.378   8.959   4.566
  120    H6     C  11           H6         C  11   0.152  10.661   5.404
  121   1H5*    G  12          1H5*        G  12  -0.439  16.528   6.332
  122   2H5*    G  12          2H5*        G  12  -1.750  17.296   7.247
  123    H4*    G  12           H4*        G  12  -1.979  17.807   4.915
  124    H3*    G  12           H3*        G  12  -4.112  15.947   5.959
  125    H2*    G  12           H2*        G  12  -5.129  16.056   3.780
  126   2HO*    G  12          2HO*        G  12  -4.943  17.859   2.693
  127    H1*    G  12           H1*        G  12  -2.670  15.895   2.381
  128    H8     G  12           H8         G  12  -2.457  13.409   5.108
  129    H1     G  12           H1         G  12  -6.142  11.490   0.217
  130   1H2     G  12          1H2         G  12  -6.610  13.183  -1.083
  131   2H2     G  12          2H2         G  12  -6.002  14.793  -0.774
  132   1H5*    A  13          1H5*        A  13  -5.676  19.080   3.933
  133   2H5*    A  13          2H5*        A  13  -7.195  19.761   4.547
  134    H4*    A  13           H4*        A  13  -7.418  19.165   2.223
  135    H3*    A  13           H3*        A  13  -9.055  17.509   4.131
  136    H2*    A  13           H2*        A  13  -9.945  16.324   2.241
  137   2HO*    A  13          2HO*        A  13  -9.432  18.657   1.028
  138    H1*    A  13           H1*        A  13  -7.496  16.182   0.841
  139    H8     A  13           H8         A  13  -6.784  15.408   4.409
  140   1H6     A  13          H61         A  13  -8.550   9.593   3.241
  141   2H6     A  13          H62         A  13  -7.741  10.648   4.380
  142    H2     A  13           H2         A  13  -9.775  12.140  -0.235
  143   1H5*    U  14          1H5*        U  14 -11.266  18.331   0.756
  144   2H5*    U  14          2H5*        U  14 -12.646  19.324   1.262
  145    H4*    U  14           H4*        U  14 -13.595  17.810  -0.184
  146    H3*    U  14           H3*        U  14 -14.047  16.932   2.629
  147    H2*    U  14           H2*        U  14 -15.082  14.894   1.849
  148   2HO*    U  14          2HO*        U  14 -15.409  16.424  -0.393
  149    H1*    U  14           H1*        U  14 -13.153  14.274  -0.032
  150    H3     U  14           H3         U  14 -11.877  11.497   3.256
  151    H5     U  14           H5         U  14 -10.691  15.272   4.632
  152    H6     U  14           H6         U  14 -11.852  16.235   2.759
  153   1H5*    G  15          1H5*        G  15 -17.398  16.495   1.057
  154   2H5*    G  15          2H5*        G  15 -18.925  16.844   1.890
  155    H4*    G  15           H4*        G  15 -18.832  14.516   1.654
  156    H3*    G  15           H3*        G  15 -18.264  15.408   4.455
  157    H2*    G  15           H2*        G  15 -17.835  13.145   5.123
  158   2HO*    G  15          2HO*        G  15 -18.787  11.537   4.120
  159    H1*    G  15           H1*        G  15 -16.324  12.432   2.889
  160    H8     G  15           H8         G  15 -15.409  15.954   3.636
  161    H1     G  15           H1         G  15 -12.627  11.718   7.568
  162   1H2     G  15          1H2         G  15 -13.522   9.716   7.295
  163   2H2     G  15          2H2         G  15 -14.816   9.444   6.148
  164   1H5*    A  16          1H5*        A  16 -19.091  15.431   6.910
  165   2H5*    A  16          2H5*        A  16 -19.480  13.908   6.087
  166    H4*    A  16           H4*        A  16 -20.316  14.908   8.765
  167    H3*    A  16           H3*        A  16 -18.484  13.059   8.210
  168    H2*    A  16           H2*        A  16 -19.711  11.428   7.031
  169   2HO*    A  16          2HO*        A  16 -19.284  10.408   9.073
  170    H1*    A  16           H1*        A  16 -22.307  11.764   8.501
  171    H8     A  16           H8         A  16 -21.222  13.243   5.158
  172   1H6     A  16          H61         A  16 -24.661   8.801   2.553
  173   2H6     A  16          H62         A  16 -23.719  10.244   2.248
  174    H2     A  16           H2         A  16 -24.553   8.067   6.965
  175   1H5*    A  17          1H5*        A  17 -16.220  10.507  10.844
  176   2H5*    A  17          2H5*        A  17 -15.850  10.517   9.110
  177    H4*    A  17           H4*        A  17 -16.812   8.396  10.725
  178    H3*    A  17           H3*        A  17 -15.943   8.674   7.880
  179    H2*    A  17           H2*        A  17 -17.012   6.615   7.287
  180   2HO*    A  17          2HO*        A  17 -16.773   5.238   8.972
  181    H1*    A  17           H1*        A  17 -19.399   7.174   8.549
  182    H8     A  17           H8         A  17 -17.672  10.323   7.228
  183   1H6     A  17          H61         A  17 -21.014   9.432   2.096
  184   2H6     A  17          H62         A  17 -19.919  10.523   2.918
  185    H2     A  17           H2         A  17 -21.613   5.894   4.764
  186   1H5*    A  18          1H5*        A  18 -13.243   4.218   9.011
  187   2H5*    A  18          2H5*        A  18 -13.800   5.674   8.163
  188    H4*    A  18           H4*        A  18 -14.942   2.894   8.044
  189    H3*    A  18           H3*        A  18 -13.531   4.605   6.021
  190    H2*    A  18           H2*        A  18 -14.970   3.701   4.302
  191   2HO*    A  18          2HO*        A  18 -15.071   1.636   5.933
  192    H1*    A  18           H1*        A  18 -17.321   4.046   5.731
  193    H8     A  18           H8         A  18 -14.631   6.697   6.407
  194   1H6     A  18          H61         A  18 -17.404   9.967   1.941
  195   2H6     A  18          H62         A  18 -16.162   9.986   3.174
  196    H2     A  18           H2         A  18 -19.332   5.927   2.111
  197   1H5*    G  19          1H5*        G  19 -13.948   1.441   4.126
  198   2H5*    G  19          2H5*        G  19 -12.569   0.861   3.172
  199    H4*    G  19           H4*        G  19 -14.314   1.313   1.655
  200    H3*    G  19           H3*        G  19 -12.122   3.356   1.563
  201    H2*    G  19           H2*        G  19 -13.344   4.565  -0.140
  202   2HO*    G  19          2HO*        G  19 -14.680   3.471  -1.378
  203    H1*    G  19           H1*        G  19 -15.731   4.580   1.235
  204    H8     G  19           H8         G  19 -13.120   4.492   3.886
  205    H1     G  19           H1         G  19 -13.885  10.315   1.327
  206   1H2     G  19          1H2         G  19 -15.151  10.193  -0.486
  207   2H2     G  19          2H2         G  19 -15.800   8.673  -1.064
  208   1H5*    U  20          1H5*        U  20 -13.003   3.112  -1.962
  209   2H5*    U  20          2H5*        U  20 -11.696   3.089  -3.162
  210    H4*    U  20           H4*        U  20 -13.090   5.064  -3.396
  211    H3*    U  20           H3*        U  20 -10.218   5.494  -2.633
  212    H2*    U  20           H2*        U  20 -10.604   7.863  -2.587
  213   2HO*    U  20          2HO*        U  20 -12.508   7.181  -4.366
  214    H1*    U  20           H1*        U  20 -13.125   7.720  -1.337
  215    H3     U  20           H3         U  20  -9.885   9.610   1.389
  216    H5     U  20           H5         U  20 -10.138   5.531   2.353
  217    H6     U  20           H6         U  20 -11.474   5.224   0.377
  218   1H5*    C  21          1H5*        C  21 -11.393   8.399  -5.216
  219   2H5*    C  21          2H5*        C  21 -10.648   8.014  -6.782
  220    H4*    C  21           H4*        C  21 -10.498  10.296  -6.736
  221    H3*    C  21           H3*        C  21  -7.913   9.132  -5.794
  222    H2*    C  21           H2*        C  21  -7.065  11.320  -5.266
  223   2HO*    C  21          2HO*        C  21  -8.622  12.068  -7.212
  224    H1*    C  21           H1*        C  21  -9.334  12.224  -3.962
  225   1H4     C  21          H41         C  21  -6.144   9.448   0.757
  226   2H4     C  21          H42         C  21  -6.699   7.873   0.243
  227    H5     C  21           H5         C  21  -7.974   7.524  -1.781
  228    H6     C  21           H6         C  21  -8.983   8.613  -3.714
  229   1H5*    G  22          1H5*        G  22  -6.734  11.933  -7.849
  230   2H5*    G  22          2H5*        G  22  -5.749  11.655  -9.298
  231    H4*    G  22           H4*        G  22  -4.453  13.144  -8.158
  232    H3*    G  22           H3*        G  22  -3.499  10.397  -7.400
  233    H2*    G  22           H2*        G  22  -1.914  11.385  -5.897
  234   2HO*    G  22          2HO*        G  22  -1.177  13.374  -6.195
  235    H1*    G  22           H1*        G  22  -3.644  13.371  -4.911
  236    H8     G  22           H8         G  22  -5.287   9.975  -5.342
  237    H1     G  22           H1         G  22  -2.278  10.854   0.257
  238   1H2     G  22          1H2         G  22  -1.130  12.712   0.217
  239   2H2     G  22          2H2         G  22  -1.089  13.747  -1.193
  240   1H5*    C  23          1H5*        C  23  -0.318  12.988  -7.625
  241   2H5*    C  23          2H5*        C  23   0.763  12.425  -8.910
  242    H4*    C  23           H4*        C  23   2.184  12.994  -7.184
  243    H3*    C  23           H3*        C  23   1.782  10.035  -7.360
  244    H2*    C  23           H2*        C  23   3.077   9.688  -5.375
  245   2HO*    C  23          2HO*        C  23   4.432  11.682  -6.195
  246    H1*    C  23           H1*        C  23   1.997  11.799  -3.914
  247   1H4     C  23          H41         C  23  -1.711   6.970  -2.182
  248   2H4     C  23          H42         C  23  -2.564   7.036  -3.707
  249    H5     C  23           H5         C  23  -1.926   8.513  -5.510
  250    H6     C  23           H6         C  23  -0.354  10.242  -6.209
  251   1H5*    A  24          1H5*        A  24   5.381   8.120  -9.498
  252   2H5*    A  24          2H5*        A  24   4.599   6.985  -8.381
  253    H4*    A  24           H4*        A  24   5.791   9.680  -7.774
  254    H3*    A  24           H3*        A  24   7.180   7.398  -7.707
  255    H2*    A  24           H2*        A  24   5.681   6.162  -6.256
  256   2HO*    A  24          2HO*        A  24   7.931   6.828  -5.217
  257    H1*    A  24           H1*        A  24   5.428   8.669  -4.512
  258    H8     A  24           H8         A  24   2.602   6.876  -6.317
  259   1H6     A  24          H61         A  24   0.873   4.834  -0.736
  260   2H6     A  24          H62         A  24   0.445   4.927  -2.433
  261    H2     A  24           H2         A  24   4.817   6.915  -0.291
  262   1H5*    A  25          1H5*        A  25  11.407   7.278  -5.736
  263   2H5*    A  25          2H5*        A  25  10.759   5.639  -5.939
  264    H4*    A  25           H4*        A  25  11.762   6.125  -3.712
  265    H3*    A  25           H3*        A  25   9.358   4.698  -4.211
  266    H2*    A  25           H2*        A  25   7.923   5.906  -2.820
  267   2HO*    A  25          2HO*        A  25   9.666   4.491  -1.219
  268    H1*    A  25           H1*        A  25  10.238   7.158  -1.275
  269    H8     A  25           H8         A  25   7.806   8.565  -3.839
  270   1H6     A  25          H61         A  25   5.149  11.559   0.896
  271   2H6     A  25          H62         A  25   5.156  11.354  -0.844
  272    H2     A  25           H2         A  25   8.309   8.858   2.550
  273   1H5*    G  26          1H5*        G  26  12.934   2.401  -1.933
  274   2H5*    G  26          2H5*        G  26  12.549   0.857  -1.148
  275    H4*    G  26           H4*        G  26  12.798   3.128   0.196
  276    H3*    G  26           H3*        G  26  11.102   0.747   0.789
  277    H2*    G  26           H2*        G  26   9.922   1.930   2.523
  278   2HO*    G  26          2HO*        G  26  12.184   3.311   2.629
  279    H1*    G  26           H1*        G  26   9.423   4.207   1.060
  280    H8     G  26           H8         G  26   7.614   3.889  -0.933
  281    H1     G  26           H1         G  26   7.330  -2.324   0.619
  282   1H2     G  26          1H2         G  26   9.067  -2.879   1.868
  283   2H2     G  26          2H2         G  26  10.278  -1.705   2.330
  284   1H5*    C  27          1H5*        C  27  12.326   1.432   4.904
  285   2H5*    C  27          2H5*        C  27  13.493   0.109   5.098
  286    H4*    C  27           H4*        C  27  12.287  -0.195   6.980
  287    H3*    C  27           H3*        C  27  10.841  -1.818   4.900
  288    H2*    C  27           H2*        C  27   9.257  -2.450   6.611
  289   2HO*    C  27          2HO*        C  27  11.312  -2.050   8.203
  290    H1*    C  27           H1*        C  27   8.949   0.145   7.595
  291   1H4     C  27          H41         C  27   4.555  -0.790   3.030
  292   2H4     C  27          H42         C  27   5.492   0.277   2.010
  293    H5     C  27           H5         C  27   7.672   1.114   2.645
  294    H6     C  27           H6         C  27   9.409   1.059   4.353
  295   1H5*    A  28          1H5*        A  28  10.828  -3.887   8.105
  296   2H5*    A  28          2H5*        A  28  11.722  -5.417   8.037
  297    H4*    A  28           H4*        A  28   9.698  -5.865   9.144
  298    H3*    A  28           H3*        A  28   9.682  -6.911   6.324
  299    H2*    A  28           H2*        A  28   7.461  -7.766   6.716
  300   2HO*    A  28          2HO*        A  28   8.330  -7.853   9.223
  301    H1*    A  28           H1*        A  28   6.524  -5.457   7.998
  302    H8     A  28           H8         A  28   8.646  -4.064   5.356
  303   1H6     A  28          H61         A  28   4.017  -5.031   1.358
  304   2H6     A  28          H62         A  28   5.568  -4.263   1.605
  305    H2     A  28           H2         A  28   3.062  -7.224   5.155
  306   1H5*    C  29          1H5*        C  29   9.200 -10.465   8.931
  307   2H5*    C  29          2H5*        C  29  10.027 -11.843   8.179
  308    H4*    C  29           H4*        C  29   7.685 -12.321   8.662
  309    H3*    C  29           H3*        C  29   8.588 -12.406   5.806
  310    H2*    C  29           H2*        C  29   6.333 -12.901   5.106
  311   2HO*    C  29          2HO*        C  29   6.185 -14.004   7.470
  312    H1*    C  29           H1*        C  29   5.112 -10.966   6.689
  313   1H4     C  29          H41         C  29   6.339  -7.939   1.241
  314   2H4     C  29          H42         C  29   7.848  -7.359   1.916
  315    H5     C  29           H5         C  29   8.700  -8.118   4.053
  316    H6     C  29           H6         C  29   8.267  -9.550   5.976
  317   1H5*    G  30          1H5*        G  30   6.159 -15.430   6.271
  318   2H5*    G  30          2H5*        G  30   6.604 -16.947   5.467
  319    H4*    G  30           H4*        G  30   4.456 -16.086   4.694
  320    H3*    G  30           H3*        G  30   6.673 -16.304   2.676
  321    H2*    G  30           H2*        G  30   5.223 -15.395   1.001
  322   2HO*    G  30          2HO*        G  30   3.393 -16.652   2.520
  323    H1*    G  30           H1*        G  30   3.844 -13.601   2.752
  324    H8     G  30           H8         G  30   7.406 -13.008   3.392
  325    H1     G  30           H1         G  30   5.421 -10.393  -2.116
  326   1H2     G  30          1H2         G  30   3.448 -11.215  -2.676
  327   2H2     G  30          2H2         G  30   2.634 -12.414  -1.699
  328   1H5*    G  31          1H5*        G  31   3.136 -17.600   0.979
  329   2H5*    G  31          2H5*        G  31   3.262 -19.368   0.911
  330    H4*    G  31           H4*        G  31   2.212 -18.985  -1.054
  331    H3*    G  31           H3*        G  31   5.145 -18.962  -1.636
  332    H2*    G  31           H2*        G  31   4.733 -18.287  -3.904
  333   2HO*    G  31          2HO*        G  31   2.519 -19.633  -3.567
  334    H1*    G  31           H1*        G  31   2.810 -16.360  -3.313
  335    H8     G  31           H8         G  31   5.570 -16.608  -0.711
  336    H1     G  31           H1         G  31   6.720 -12.513  -5.512
  337   1H2     G  31          1H2         G  31   5.195 -12.721  -7.074
  338   2H2     G  31          2H2         G  31   3.891 -13.880  -6.948
  339   1H5*    U  32          1H5*        U  32   4.127 -21.005  -4.840
  340   2H5*    U  32          2H5*        U  32   5.351 -22.241  -5.194
  341    H4*    U  32           H4*        U  32   5.299 -20.476  -6.880
  342    H3*    U  32           H3*        U  32   7.830 -20.817  -5.301
  343    H2*    U  32           H2*        U  32   8.805 -18.979  -6.497
  344   2HO*    U  32          2HO*        U  32   8.094 -19.348  -8.583
  345    H1*    U  32           H1*        U  32   6.540 -17.334  -6.405
  346    H3     U  32           H3         U  32   9.448 -15.323  -3.613
  347    H5     U  32           H5         U  32   7.974 -18.585  -1.406
  348    H6     U  32           H6         U  32   6.862 -19.333  -3.404
  349   1H5*    U  33          1H5*        U  33   8.089 -21.181  -9.853
  350   2H5*    U  33          2H5*        U  33   9.516 -22.123 -10.326
  351    H4*    U  33           H4*        U  33   9.288 -20.058 -11.614
  352    H3*    U  33           H3*        U  33  11.745 -20.380  -9.915
  353    H2*    U  33           H2*        U  33  12.504 -18.211 -10.680
  354   2HO*    U  33          2HO*        U  33  11.163 -18.763 -12.809
  355    H1*    U  33           H1*        U  33  10.095 -16.932 -10.183
  356    H3     U  33           H3         U  33  12.828 -15.879  -6.696
  357    H5     U  33           H5         U  33  11.073 -19.549  -5.670
  358    H6     U  33           H6         U  33  10.222 -19.680  -7.916
  359   1H5*    C  34          1H5*        C  34  13.125 -18.998 -13.388
  360   2H5*    C  34          2H5*        C  34  14.670 -19.708 -13.901
  361    H4*    C  34           H4*        C  34  14.826 -17.295 -13.595
  362    H3*    C  34           H3*        C  34  16.498 -19.027 -11.794
  363    H2*    C  34           H2*        C  34  17.367 -17.053 -10.747
  364   2HO*    C  34          2HO*        C  34  16.694 -14.953 -11.683
  365    H1*    C  34           H1*        C  34  14.905 -15.672 -10.679
  366   1H4     C  34          H41         C  34  15.579 -18.184  -4.900
  367   2H4     C  34          H42         C  34  14.699 -19.608  -5.415
  368    H5     C  34           H5         C  34  14.024 -19.953  -7.717
  369    H6     C  34           H6         C  34  14.154 -19.064  -9.989
  370    H3T    C  34           H3T        C  34  17.439 -17.215 -13.641
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  23.658 -12.185   0.057
    2   2H5*    G   1          2H5*        G   1  22.491 -10.850   0.076
    3    H4*    G   1           H4*        G   1  23.271 -11.371  -2.182
    4    H3*    G   1           H3*        G   1  20.334 -11.819  -1.663
    5    H2*    G   1           H2*        G   1  20.122 -12.386  -3.988
    6   2HO*    G   1          2HO*        G   1  21.916 -10.599  -4.337
    7    H1*    G   1           H1*        G   1  22.581 -13.807  -4.087
    8    H8     G   1           H8         G   1  21.254 -15.239  -1.099
    9    H1     G   1           H1         G   1  17.756 -17.013  -6.170
   10   1H2     G   1          1H2         G   1  18.208 -15.714  -7.900
   11   2H2     G   1          2H2         G   1  19.378 -14.418  -7.799
   12    H5T    G   1           H5T        G   1  21.399 -13.372  -0.208
   13   1H5*    A   2          1H5*        A   2  20.518  -9.107  -4.885
   14   2H5*    A   2          2H5*        A   2  19.199  -7.921  -4.830
   15    H4*    A   2           H4*        A   2  19.239  -9.185  -6.924
   16    H3*    A   2           H3*        A   2  16.795  -9.524  -5.189
   17    H2*    A   2           H2*        A   2  15.876 -10.929  -6.918
   18   2HO*    A   2          2HO*        A   2  17.563  -9.451  -8.445
   19    H1*    A   2           H1*        A   2  18.306 -12.286  -7.426
   20    H8     A   2           H8         A   2  18.302 -12.248  -3.792
   21   1H6     A   2          H61         A   2  14.048 -16.748  -3.873
   22   2H6     A   2          H62         A   2  15.212 -15.886  -2.890
   23    H2     A   2           H2         A   2  14.273 -14.962  -7.983
   24   1H5*    G   3          1H5*        G   3  15.923  -9.387  -9.071
   25   2H5*    G   3          2H5*        G   3  15.237  -7.789  -9.417
   26    H4*    G   3           H4*        G   3  14.121  -9.209 -10.868
   27    H3*    G   3           H3*        G   3  12.383  -8.713  -8.459
   28    H2*    G   3           H2*        G   3  10.691 -10.075  -9.505
   29   2HO*    G   3          2HO*        G   3  10.606 -10.108 -11.625
   30    H1*    G   3           H1*        G   3  12.485 -12.082 -10.312
   31    H8     G   3           H8         G   3  13.420 -10.733  -6.929
   32    H1     G   3           H1         G   3   8.898 -15.279  -6.794
   33   1H2     G   3          1H2         G   3   8.166 -15.687  -8.821
   34   2H2     G   3          2H2         G   3   8.794 -14.846 -10.221
   35   1H5*    C   4          1H5*        C   4  10.341  -8.395 -11.634
   36   2H5*    C   4          2H5*        C   4   9.525  -6.862 -12.002
   37    H4*    C   4           H4*        C   4   7.843  -8.329 -12.416
   38    H3*    C   4           H3*        C   4   7.572  -7.561  -9.520
   39    H2*    C   4           H2*        C   4   5.645  -9.025  -9.392
   40   2HO*    C   4          2HO*        C   4   5.484  -8.518 -11.963
   41    H1*    C   4           H1*        C   4   6.928 -11.165 -10.598
   42   1H4     C   4          H41         C   4   8.528 -11.946  -4.511
   43   2H4     C   4          H42         C   4   9.685 -10.644  -4.610
   44    H5     C   4           H5         C   4   9.959  -9.279  -6.585
   45    H6     C   4           H6         C   4   9.169  -8.878  -8.853
   46   1H5*    C   5          1H5*        C   5   4.070  -7.742 -10.791
   47   2H5*    C   5          2H5*        C   5   2.878  -6.640 -10.075
   48    H4*    C   5           H4*        C   5   2.443  -8.988  -9.533
   49    H3*    C   5           H3*        C   5   3.061  -7.153  -7.223
   50    H2*    C   5           H2*        C   5   2.675  -9.037  -5.757
   51   2HO*    C   5          2HO*        C   5   1.178  -9.858  -7.833
   52    H1*    C   5           H1*        C   5   4.175 -10.826  -7.306
   53   1H4     C   5          H41         C   5   8.022  -8.466  -2.849
   54   2H4     C   5          H42         C   5   8.618  -7.261  -3.980
   55    H5     C   5           H5         C   5   7.633  -6.988  -6.202
   56    H6     C   5           H6         C   5   5.893  -7.786  -7.718
   57   1H5*    G   6          1H5*        G   6   0.013  -9.492  -6.445
   58   2H5*    G   6          2H5*        G   6  -1.538  -8.628  -6.447
   59    H4*    G   6           H4*        G   6  -1.917 -10.104  -4.772
   60    H3*    G   6           H3*        G   6  -0.742  -7.672  -3.461
   61    H2*    G   6           H2*        G   6  -0.835  -8.825  -1.335
   62   2HO*    G   6          2HO*        G   6  -2.117 -10.511  -1.042
   63    H1*    G   6           H1*        G   6   0.362 -11.131  -2.269
   64    H8     G   6           H8         G   6   1.752  -8.308  -4.296
   65    H1     G   6           H1         G   6   4.485  -8.917   1.464
   66   1H2     G   6          1H2         G   6   3.310 -10.323   2.715
   67   2H2     G   6          2H2         G   6   1.865 -11.106   2.123
   68   1H5*    U   7          1H5*        U   7  -3.301  -9.110  -1.237
   69   2H5*    U   7          2H5*        U   7  -4.531  -8.109  -0.441
   70    H4*    U   7           H4*        U   7  -3.367  -9.319   1.233
   71    H3*    U   7           H3*        U   7  -2.701  -6.387   1.195
   72    H2*    U   7           H2*        U   7  -1.272  -6.760   3.113
   73   2HO*    U   7          2HO*        U   7  -2.946  -8.753   3.539
   74    H1*    U   7           H1*        U   7  -0.052  -9.039   2.048
   75    H3     U   7           H3         U   7   3.069  -5.766   1.711
   76    H5     U   7           H5         U   7   0.696  -5.394  -1.727
   77    H6     U   7           H6         U   7  -0.855  -6.945  -0.730
   78   1H5*    G   8          1H5*        G   8  -3.232  -7.362   4.720
   79   2H5*    G   8          2H5*        G   8  -4.234  -6.392   5.818
   80    H4*    G   8           H4*        G   8  -2.113  -6.538   6.813
   81    H3*    G   8           H3*        G   8  -2.545  -3.840   5.550
   82    H2*    G   8           H2*        G   8  -0.360  -3.195   6.272
   83   2HO*    G   8          2HO*        G   8  -0.955  -4.683   8.316
   84    H1*    G   8           H1*        G   8   0.827  -5.760   5.849
   85    H8     G   8           H8         G   8  -1.003  -4.977   2.756
   86    H1     G   8           H1         G   8   4.450  -1.650   3.329
   87   1H2     G   8          1H2         G   8   5.222  -1.813   5.367
   88   2H2     G   8          2H2         G   8   4.398  -2.733   6.604
   89   1H5*    U   9          1H5*        U   9  -3.861  -0.244   7.153
   90   2H5*    U   9          2H5*        U   9  -3.321  -0.223   5.464
   91    H4*    U   9           H4*        U   9  -1.728  -0.511   7.975
   92    H3*    U   9           H3*        U   9  -1.706   1.378   5.666
   93    H2*    U   9           H2*        U   9   0.695   1.477   5.670
   94   2HO*    U   9          2HO*        U   9   0.378   0.956   8.237
   95    H1*    U   9           H1*        U   9   1.134  -1.240   5.890
   96    H3     U   9           H3         U   9   1.627   0.386   1.545
   97    H5     U   9           H5         U   9  -2.089  -1.540   1.813
   98    H6     U   9           H6         U   9  -1.814  -1.575   4.203
   99   1H5*    G  10          1H5*        G  10   0.886   3.238   7.242
  100   2H5*    G  10          2H5*        G  10   0.218   4.333   8.468
  101    H4*    G  10           H4*        G  10   2.139   5.352   7.492
  102    H3*    G  10           H3*        G  10  -0.458   6.659   6.723
  103    H2*    G  10           H2*        G  10   0.792   8.266   5.437
  104   2HO*    G  10          2HO*        G  10   2.655   7.730   7.243
  105    H1*    G  10           H1*        G  10   2.548   6.386   4.310
  106    H8     G  10           H8         G  10  -0.985   5.063   4.580
  107    H1     G  10           H1         G  10   0.178   8.511  -0.699
  108   1H2     G  10          1H2         G  10   2.138   9.503  -0.544
  109   2H2     G  10          2H2         G  10   3.159   9.320   0.864
  110   1H5*    C  11          1H5*        C  11   1.964   9.676   7.685
  111   2H5*    C  11          2H5*        C  11   1.417  10.493   9.162
  112    H4*    C  11           H4*        C  11   1.874  12.296   7.871
  113    H3*    C  11           H3*        C  11  -1.008  11.639   7.368
  114    H2*    C  11           H2*        C  11  -1.104  13.408   5.727
  115   2HO*    C  11          2HO*        C  11   0.209  15.050   5.940
  116    H1*    C  11           H1*        C  11   1.201  12.653   4.406
  117   1H4     C  11          H41         C  11  -3.190   9.050   1.577
  118   2H4     C  11          H42         C  11  -3.242   7.981   2.960
  119    H5     C  11           H5         C  11  -2.006   8.380   4.990
  120    H6     C  11           H6         C  11  -0.460   9.890   6.119
  121   1H5*    G  12          1H5*        G  12  -0.440  15.494   7.640
  122   2H5*    G  12          2H5*        G  12  -1.536  16.496   8.613
  123    H4*    G  12           H4*        G  12  -1.434  17.491   6.488
  124    H3*    G  12           H3*        G  12  -4.010  16.026   6.948
  125    H2*    G  12           H2*        G  12  -4.729  16.608   4.724
  126   2HO*    G  12          2HO*        G  12  -3.987  18.379   3.827
  127    H1*    G  12           H1*        G  12  -2.332  15.948   3.479
  128    H8     G  12           H8         G  12  -2.962  13.623   6.386
  129    H1     G  12           H1         G  12  -5.867  11.922   0.931
  130   1H2     G  12          1H2         G  12  -5.747  13.548  -0.539
  131   2H2     G  12          2H2         G  12  -4.930  15.053  -0.184
  132   1H5*    A  13          1H5*        A  13  -4.941  19.337   5.170
  133   2H5*    A  13          2H5*        A  13  -6.379  20.203   5.746
  134    H4*    A  13           H4*        A  13  -6.661  19.657   3.436
  135    H3*    A  13           H3*        A  13  -8.442  18.077   5.280
  136    H2*    A  13           H2*        A  13  -9.414  17.049   3.335
  137   2HO*    A  13          2HO*        A  13  -9.527  18.188   1.549
  138    H1*    A  13           H1*        A  13  -6.960  16.699   1.990
  139    H8     A  13           H8         A  13  -6.317  15.804   5.532
  140   1H6     A  13          H61         A  13  -8.779  10.252   4.324
  141   2H6     A  13          H62         A  13  -7.850  11.196   5.469
  142    H2     A  13           H2         A  13  -9.726  12.972   0.889
  143   1H5*    U  14          1H5*        U  14 -10.726  19.342   2.058
  144   2H5*    U  14          2H5*        U  14 -12.032  20.358   2.700
  145    H4*    U  14           H4*        U  14 -13.095  18.973   1.186
  146    H3*    U  14           H3*        U  14 -13.521  17.996   3.973
  147    H2*    U  14           H2*        U  14 -14.715  16.074   3.131
  148   2HO*    U  14          2HO*        U  14 -15.219  17.724   1.118
  149    H1*    U  14           H1*        U  14 -12.885  15.427   1.157
  150    H3     U  14           H3         U  14 -11.823  12.400   4.319
  151    H5     U  14           H5         U  14 -10.189  15.977   5.755
  152    H6     U  14           H6         U  14 -11.309  17.123   3.961
  153   1H5*    G  15          1H5*        G  15 -16.941  17.808   2.531
  154   2H5*    G  15          2H5*        G  15 -18.400  18.244   3.442
  155    H4*    G  15           H4*        G  15 -18.502  15.926   3.137
  156    H3*    G  15           H3*        G  15 -17.732  16.677   5.930
  157    H2*    G  15           H2*        G  15 -17.445  14.366   6.511
  158   2HO*    G  15          2HO*        G  15 -18.481  12.822   5.461
  159    H1*    G  15           H1*        G  15 -16.094  13.619   4.188
  160    H8     G  15           H8         G  15 -14.893  17.044   4.973
  161    H1     G  15           H1         G  15 -12.236  12.516   8.657
  162   1H2     G  15          1H2         G  15 -13.296  10.593   8.390
  163   2H2     G  15          2H2         G  15 -14.664  10.444   7.311
  164   1H5*    A  16          1H5*        A  16 -18.400  16.620   8.392
  165   2H5*    A  16          2H5*        A  16 -18.989  15.166   7.563
  166    H4*    A  16           H4*        A  16 -19.530  16.153  10.320
  167    H3*    A  16           H3*        A  16 -17.929  14.161   9.585
  168    H2*    A  16           H2*        A  16 -19.387  12.693   8.455
  169   2HO*    A  16          2HO*        A  16 -18.914  11.572  10.436
  170    H1*    A  16           H1*        A  16 -21.827  13.218  10.123
  171    H8     A  16           H8         A  16 -20.844  14.699   6.749
  172   1H6     A  16          H61         A  16 -24.871  10.688   4.291
  173   2H6     A  16          H62         A  16 -23.819  12.045   3.954
  174    H2     A  16           H2         A  16 -24.526   9.806   8.663
  175   1H5*    A  17          1H5*        A  17 -15.767  11.291  11.990
  176   2H5*    A  17          2H5*        A  17 -15.500  11.326  10.237
  177    H4*    A  17           H4*        A  17 -16.581   9.256  11.838
  178    H3*    A  17           H3*        A  17 -15.894   9.556   8.944
  179    H2*    A  17           H2*        A  17 -17.208   7.633   8.380
  180   2HO*    A  17          2HO*        A  17 -17.692   7.337  11.182
  181    H1*    A  17           H1*        A  17 -19.431   8.412   9.807
  182    H8     A  17           H8         A  17 -17.444  11.399   8.479
  183   1H6     A  17          H61         A  17 -21.157  11.079   3.540
  184   2H6     A  17          H62         A  17 -19.900  12.010   4.328
  185    H2     A  17           H2         A  17 -21.993   7.528   6.128
  186   1H5*    A  18          1H5*        A  18 -13.371   4.924   9.752
  187   2H5*    A  18          2H5*        A  18 -13.926   6.455   9.046
  188    H4*    A  18           H4*        A  18 -15.237   3.751   8.877
  189    H3*    A  18           H3*        A  18 -13.856   5.465   6.836
  190    H2*    A  18           H2*        A  18 -15.466   4.732   5.185
  191   2HO*    A  18          2HO*        A  18 -15.610   2.616   6.761
  192    H1*    A  18           H1*        A  18 -17.681   5.178   6.786
  193    H8     A  18           H8         A  18 -14.780   7.597   7.420
  194   1H6     A  18          H61         A  18 -17.545  11.278   3.281
  195   2H6     A  18          H62         A  18 -16.242  11.149   4.443
  196    H2     A  18           H2         A  18 -19.737   7.371   3.354
  197   1H5*    G  19          1H5*        G  19 -14.591   2.435   4.782
  198   2H5*    G  19          2H5*        G  19 -13.308   1.883   3.686
  199    H4*    G  19           H4*        G  19 -15.167   2.541   2.369
  200    H3*    G  19           H3*        G  19 -12.828   4.407   2.202
  201    H2*    G  19           H2*        G  19 -14.083   5.830   0.703
  202   2HO*    G  19          2HO*        G  19 -15.324   3.578   0.131
  203    H1*    G  19           H1*        G  19 -16.357   5.909   2.261
  204    H8     G  19           H8         G  19 -13.710   5.527   4.795
  205    H1     G  19           H1         G  19 -13.910  11.447   2.357
  206   1H2     G  19          1H2         G  19 -15.216  11.495   0.572
  207   2H2     G  19          2H2         G  19 -16.025  10.062  -0.023
  208   1H5*    U  20          1H5*        U  20 -13.869   4.590  -1.171
  209   2H5*    U  20          2H5*        U  20 -12.674   4.424  -2.472
  210    H4*    U  20           H4*        U  20 -13.666   6.611  -2.539
  211    H3*    U  20           H3*        U  20 -10.761   6.538  -1.766
  212    H2*    U  20           H2*        U  20 -10.784   8.934  -1.613
  213   2HO*    U  20          2HO*        U  20 -12.718   8.643  -3.442
  214    H1*    U  20           H1*        U  20 -13.312   9.103  -0.368
  215    H3     U  20           H3         U  20  -9.866  10.424   2.436
  216    H5     U  20           H5         U  20 -10.635   6.369   3.205
  217    H6     U  20           H6         U  20 -12.004   6.331   1.226
  218   1H5*    C  21          1H5*        C  21 -11.549   9.656  -4.323
  219   2H5*    C  21          2H5*        C  21 -10.864   9.186  -5.892
  220    H4*    C  21           H4*        C  21 -10.448  11.433  -5.853
  221    H3*    C  21           H3*        C  21  -8.013   9.972  -4.930
  222    H2*    C  21           H2*        C  21  -6.908  12.041  -4.389
  223   2HO*    C  21          2HO*        C  21  -8.565  12.983  -6.260
  224    H1*    C  21           H1*        C  21  -9.026  13.178  -3.035
  225   1H4     C  21          H41         C  21  -6.188   9.845   1.553
  226   2H4     C  21          H42         C  21  -6.984   8.383   1.019
  227    H5     C  21           H5         C  21  -8.347   8.284  -0.978
  228    H6     C  21           H6         C  21  -9.194   9.553  -2.877
  229   1H5*    G  22          1H5*        G  22  -6.658  13.019  -6.707
  230   2H5*    G  22          2H5*        G  22  -5.891  12.683  -8.272
  231    H4*    G  22           H4*        G  22  -4.369  14.108  -7.400
  232    H3*    G  22           H3*        G  22  -3.494  11.357  -6.615
  233    H2*    G  22           H2*        G  22  -1.726  12.276  -5.264
  234   2HO*    G  22          2HO*        G  22  -1.933  14.275  -7.006
  235    H1*    G  22           H1*        G  22  -3.252  14.227  -4.037
  236    H8     G  22           H8         G  22  -5.178  11.023  -4.816
  237    H1     G  22           H1         G  22  -2.268  11.158   0.899
  238   1H2     G  22          1H2         G  22  -0.997  12.939   1.061
  239   2H2     G  22          2H2         G  22  -0.853  14.098  -0.243
  240   1H5*    C  23          1H5*        C  23  -0.362  13.233  -7.194
  241   2H5*    C  23          2H5*        C  23   0.703  12.780  -8.534
  242    H4*    C  23           H4*        C  23   2.215  12.927  -6.868
  243    H3*    C  23           H3*        C  23   1.291  10.073  -6.931
  244    H2*    C  23           H2*        C  23   2.646   9.604  -4.997
  245   2HO*    C  23          2HO*        C  23   4.181  11.434  -5.940
  246    H1*    C  23           H1*        C  23   1.857  11.851  -3.574
  247   1H4     C  23          H41         C  23  -2.456   7.570  -1.812
  248   2H4     C  23          H42         C  23  -3.326   7.770  -3.318
  249    H5     C  23           H5         C  23  -2.515   9.167  -5.122
  250    H6     C  23           H6         C  23  -0.717  10.652  -5.838
  251   1H5*    A  24          1H5*        A  24   5.250   7.473  -9.272
  252   2H5*    A  24          2H5*        A  24   3.636   7.391  -8.539
  253    H4*    A  24           H4*        A  24   5.710   9.246  -7.447
  254    H3*    A  24           H3*        A  24   6.357   6.573  -7.524
  255    H2*    A  24           H2*        A  24   4.626   5.763  -6.086
  256   2HO*    A  24          2HO*        A  24   6.857   6.601  -4.697
  257    H1*    A  24           H1*        A  24   4.757   8.385  -4.506
  258    H8     A  24           H8         A  24   1.615   7.593  -6.297
  259   1H6     A  24          H61         A  24  -0.541   5.191  -1.011
  260   2H6     A  24          H62         A  24  -0.965   5.704  -2.634
  261    H2     A  24           H2         A  24   3.846   5.916  -0.514
  262   1H5*    A  25          1H5*        A  25  10.177   4.988  -7.405
  263   2H5*    A  25          2H5*        A  25   8.922   3.736  -7.342
  264    H4*    A  25           H4*        A  25  10.584   4.893  -5.198
  265    H3*    A  25           H3*        A  25  10.533   2.396  -6.061
  266    H2*    A  25           H2*        A  25   8.269   1.795  -5.747
  267   2HO*    A  25          2HO*        A  25   9.781   1.379  -3.441
  268    H1*    A  25           H1*        A  25   7.895   3.266  -3.143
  269    H8     A  25           H8         A  25   6.890   4.235  -6.699
  270   1H6     A  25          H61         A  25   1.134   2.657  -5.036
  271   2H6     A  25          H62         A  25   2.117   3.364  -6.302
  272    H2     A  25           H2         A  25   3.896   1.607  -1.670
  273   1H5*    G  26          1H5*        G  26  13.854   1.121  -1.479
  274   2H5*    G  26          2H5*        G  26  12.628   0.427  -2.560
  275    H4*    G  26           H4*        G  26  12.080   2.913  -0.976
  276    H3*    G  26           H3*        G  26  11.866   0.094   0.079
  277    H2*    G  26           H2*        G  26   9.897   0.813   1.256
  278   2HO*    G  26          2HO*        G  26  11.101   3.181   1.122
  279    H1*    G  26           H1*        G  26   8.833   2.178  -0.958
  280    H8     G  26           H8         G  26   7.792   0.472  -2.809
  281    H1     G  26           H1         G  26   9.318  -4.318   1.179
  282   1H2     G  26          1H2         G  26  10.766  -3.623   2.692
  283   2H2     G  26          2H2         G  26  11.341  -1.974   2.727
  284   1H5*    C  27          1H5*        C  27  11.942   2.429   3.897
  285   2H5*    C  27          2H5*        C  27  13.158   1.551   4.845
  286    H4*    C  27           H4*        C  27  11.471   1.475   6.328
  287    H3*    C  27           H3*        C  27  10.947  -0.914   4.571
  288    H2*    C  27           H2*        C  27   8.999  -1.368   5.903
  289   2HO*    C  27          2HO*        C  27  10.437  -0.352   7.806
  290    H1*    C  27           H1*        C  27   8.220   1.348   6.111
  291   1H4     C  27          H41         C  27   4.745  -1.302   1.431
  292   2H4     C  27          H42         C  27   5.764  -0.442   0.301
  293    H5     C  27           H5         C  27   7.742   0.771   0.966
  294    H6     C  27           H6         C  27   9.178   1.374   2.843
  295   1H5*    A  28          1H5*        A  28  10.969  -2.766   8.279
  296   2H5*    A  28          2H5*        A  28  11.750  -4.354   8.164
  297    H4*    A  28           H4*        A  28   9.434  -4.517   8.898
  298    H3*    A  28           H3*        A  28  10.045  -5.788   6.232
  299    H2*    A  28           H2*        A  28   7.773  -6.560   6.199
  300   2HO*    A  28          2HO*        A  28   6.931  -7.119   8.058
  301    H1*    A  28           H1*        A  28   6.707  -4.156   7.303
  302    H8     A  28           H8         A  28   8.931  -2.937   4.673
  303   1H6     A  28          H61         A  28   4.584  -4.480   0.527
  304   2H6     A  28          H62         A  28   6.068  -3.591   0.792
  305    H2     A  28           H2         A  28   3.547  -6.425   4.437
  306   1H5*    C  29          1H5*        C  29   8.583  -8.879   8.947
  307   2H5*    C  29          2H5*        C  29   9.272 -10.457   8.522
  308    H4*    C  29           H4*        C  29   6.827 -10.478   8.563
  309    H3*    C  29           H3*        C  29   8.158 -11.059   5.924
  310    H2*    C  29           H2*        C  29   5.961 -11.404   4.981
  311   2HO*    C  29          2HO*        C  29   5.333 -12.269   7.281
  312    H1*    C  29           H1*        C  29   4.834  -9.133   6.181
  313   1H4     C  29          H41         C  29   6.763  -7.202   0.461
  314   2H4     C  29          H42         C  29   8.323  -6.753   1.122
  315    H5     C  29           H5         C  29   8.954  -7.271   3.414
  316    H6     C  29           H6         C  29   8.226  -8.321   5.491
  317   1H5*    G  30          1H5*        G  30   5.408 -14.003   6.404
  318   2H5*    G  30          2H5*        G  30   5.997 -15.605   5.918
  319    H4*    G  30           H4*        G  30   3.970 -14.965   4.721
  320    H3*    G  30           H3*        G  30   6.464 -15.382   3.095
  321    H2*    G  30           H2*        G  30   5.261 -14.809   1.116
  322   2HO*    G  30          2HO*        G  30   3.286 -15.565   0.986
  323    H1*    G  30           H1*        G  30   3.576 -12.853   2.358
  324    H8     G  30           H8         G  30   7.012 -11.988   3.329
  325    H1     G  30           H1         G  30   5.665 -10.365  -2.726
  326   1H2     G  30          1H2         G  30   3.786 -11.364  -3.373
  327   2H2     G  30          2H2         G  30   2.898 -12.428  -2.312
  328   1H5*    G  31          1H5*        G  31   2.878 -17.130   1.444
  329   2H5*    G  31          2H5*        G  31   3.184 -18.878   1.502
  330    H4*    G  31           H4*        G  31   2.039 -18.646  -0.470
  331    H3*    G  31           H3*        G  31   4.975 -18.716  -1.030
  332    H2*    G  31           H2*        G  31   4.579 -18.296  -3.367
  333   2HO*    G  31          2HO*        G  31   2.301 -19.506  -2.869
  334    H1*    G  31           H1*        G  31   2.759 -16.240  -2.999
  335    H8     G  31           H8         G  31   5.404 -16.388  -0.273
  336    H1     G  31           H1         G  31   6.953 -12.804  -5.361
  337   1H2     G  31          1H2         G  31   5.500 -13.078  -6.969
  338   2H2     G  31          2H2         G  31   4.131 -14.155  -6.803
  339   1H5*    U  32          1H5*        U  32   3.778 -20.949  -3.944
  340   2H5*    U  32          2H5*        U  32   4.830 -22.343  -4.255
  341    H4*    U  32           H4*        U  32   4.890 -20.840  -6.126
  342    H3*    U  32           H3*        U  32   7.440 -21.046  -4.554
  343    H2*    U  32           H2*        U  32   8.457 -19.445  -6.041
  344   2HO*    U  32          2HO*        U  32   7.703 -19.903  -8.043
  345    H1*    U  32           H1*        U  32   6.307 -17.676  -6.047
  346    H3     U  32           H3         U  32   9.376 -15.617  -3.462
  347    H5     U  32           H5         U  32   7.727 -18.568  -0.964
  348    H6     U  32           H6         U  32   6.534 -19.406  -2.876
  349   1H5*    U  33          1H5*        U  33   7.756 -21.673  -8.852
  350   2H5*    U  33          2H5*        U  33   9.070 -22.762  -9.339
  351    H4*    U  33           H4*        U  33   9.080 -20.654 -10.583
  352    H3*    U  33           H3*        U  33  11.487 -21.236  -8.868
  353    H2*    U  33           H2*        U  33  12.462 -19.182  -9.703
  354   2HO*    U  33          2HO*        U  33  11.122 -19.651 -11.825
  355    H1*    U  33           H1*        U  33  10.160 -17.667  -9.266
  356    H3     U  33           H3         U  33  13.118 -16.610  -5.966
  357    H5     U  33           H5         U  33  11.090 -20.021  -4.601
  358    H6     U  33           H6         U  33  10.130 -20.234  -6.798
  359   1H5*    C  34          1H5*        C  34  12.850 -20.236 -12.548
  360   2H5*    C  34          2H5*        C  34  14.255 -21.160 -13.117
  361    H4*    C  34           H4*        C  34  14.677 -18.756 -13.089
  362    H3*    C  34           H3*        C  34  16.354 -20.477 -11.282
  363    H2*    C  34           H2*        C  34  17.520 -18.511 -10.546
  364   2HO*    C  34          2HO*        C  34  17.141 -17.688 -12.944
  365    H1*    C  34           H1*        C  34  15.219 -16.893 -10.355
  366   1H4     C  34          H41         C  34  16.252 -18.976  -4.461
  367   2H4     C  34          H42         C  34  15.174 -20.326  -4.754
  368    H5     C  34           H5         C  34  14.242 -20.796  -6.942
  369    H6     C  34           H6         C  34  14.225 -20.120  -9.291
  370    H3T    C  34           H3T        C  34  16.692 -20.693 -13.427
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  22.997 -13.634   0.535
    2   2H5*    G   1          2H5*        G   1  22.835 -11.868   0.548
    3    H4*    G   1           H4*        G   1  23.180 -12.212  -1.668
    4    H3*    G   1           H3*        G   1  20.189 -12.419  -1.357
    5    H2*    G   1           H2*        G   1  20.073 -12.808  -3.723
    6   2HO*    G   1          2HO*        G   1  22.015 -11.168  -3.857
    7    H1*    G   1           H1*        G   1  22.398 -14.442  -3.788
    8    H8     G   1           H8         G   1  20.800 -15.958  -0.993
    9    H1     G   1           H1         G   1  17.408 -17.025  -6.326
   10   1H2     G   1          1H2         G   1  18.059 -15.655  -7.931
   11   2H2     G   1          2H2         G   1  19.332 -14.482  -7.684
   12    H5T    G   1           H5T        G   1  20.557 -12.164   0.461
   13   1H5*    A   2          1H5*        A   2  20.651  -9.384  -4.273
   14   2H5*    A   2          2H5*        A   2  19.410  -8.132  -4.073
   15    H4*    A   2           H4*        A   2  19.356  -9.157  -6.290
   16    H3*    A   2           H3*        A   2  16.908  -9.557  -4.573
   17    H2*    A   2           H2*        A   2  15.900 -10.672  -6.463
   18   2HO*    A   2          2HO*        A   2  17.718  -9.149  -7.799
   19    H1*    A   2           H1*        A   2  18.234 -12.120  -7.125
   20    H8     A   2           H8         A   2  18.249 -12.505  -3.517
   21   1H6     A   2          H61         A   2  13.643 -16.610  -4.044
   22   2H6     A   2          H62         A   2  14.879 -15.962  -2.986
   23    H2     A   2           H2         A   2  13.992 -14.395  -7.929
   24   1H5*    G   3          1H5*        G   3  16.080  -8.900  -8.380
   25   2H5*    G   3          2H5*        G   3  15.502  -7.230  -8.544
   26    H4*    G   3           H4*        G   3  14.333  -8.383 -10.171
   27    H3*    G   3           H3*        G   3  12.573  -8.090  -7.745
   28    H2*    G   3           H2*        G   3  10.829  -9.216  -8.980
   29   2HO*    G   3          2HO*        G   3  12.184  -8.227 -11.063
   30    H1*    G   3           H1*        G   3  12.511 -11.224  -9.970
   31    H8     G   3           H8         G   3  13.429 -10.226  -6.443
   32    H1     G   3           H1         G   3   8.810 -14.658  -6.855
   33   1H2     G   3          1H2         G   3   8.145 -14.875  -8.935
   34   2H2     G   3          2H2         G   3   8.839 -13.930 -10.232
   35   1H5*    C   4          1H5*        C   4  10.586  -7.418 -10.891
   36   2H5*    C   4          2H5*        C   4   9.940  -5.784 -11.139
   37    H4*    C   4           H4*        C   4   8.138  -7.009 -11.753
   38    H3*    C   4           H3*        C   4   7.829  -6.512  -8.810
   39    H2*    C   4           H2*        C   4   5.806  -7.837  -8.836
   40   2HO*    C   4          2HO*        C   4   5.731  -7.076 -11.352
   41    H1*    C   4           H1*        C   4   6.924  -9.954 -10.226
   42   1H4     C   4          H41         C   4   8.459 -11.415  -4.253
   43   2H4     C   4          H42         C   4   9.706 -10.195  -4.230
   44    H5     C   4           H5         C   4  10.075  -8.670  -6.069
   45    H6     C   4           H6         C   4   9.317  -8.001  -8.284
   46   1H5*    C   5          1H5*        C   5   4.362  -6.290 -10.073
   47   2H5*    C   5          2H5*        C   5   3.274  -5.132  -9.283
   48    H4*    C   5           H4*        C   5   2.636  -7.467  -8.885
   49    H3*    C   5           H3*        C   5   3.400  -5.834  -6.469
   50    H2*    C   5           H2*        C   5   2.873  -7.760  -5.114
   51   2HO*    C   5          2HO*        C   5   1.170  -8.256  -7.043
   52    H1*    C   5           H1*        C   5   4.147  -9.596  -6.832
   53   1H4     C   5          H41         C   5   8.271  -8.155  -2.229
   54   2H4     C   5          H42         C   5   9.024  -6.966  -3.280
   55    H5     C   5           H5         C   5   8.080  -6.378  -5.452
   56    H6     C   5           H6         C   5   6.241  -6.796  -7.002
   57   1H5*    G   6          1H5*        G   6  -0.997  -7.308  -6.089
   58   2H5*    G   6          2H5*        G   6  -1.810  -5.900  -5.378
   59    H4*    G   6           H4*        G   6  -2.457  -7.978  -4.285
   60    H3*    G   6           H3*        G   6  -1.066  -5.895  -2.641
   61    H2*    G   6           H2*        G   6  -1.108  -7.357  -0.730
   62   2HO*    G   6          2HO*        G   6  -2.572  -8.890  -0.554
   63    H1*    G   6           H1*        G   6  -0.284  -9.640  -2.077
   64    H8     G   6           H8         G   6   1.567  -6.935  -3.774
   65    H1     G   6           H1         G   6   4.003  -8.383   1.971
   66   1H2     G   6          1H2         G   6   2.575  -9.648   3.107
   67   2H2     G   6          2H2         G   6   1.036 -10.133   2.437
   68   1H5*    U   7          1H5*        U   7  -3.901  -7.765  -0.455
   69   2H5*    U   7          2H5*        U   7  -4.956  -6.656   0.445
   70    H4*    U   7           H4*        U   7  -4.062  -8.337   1.917
   71    H3*    U   7           H3*        U   7  -3.184  -5.515   2.391
   72    H2*    U   7           H2*        U   7  -1.756  -6.234   4.185
   73   2HO*    U   7          2HO*        U   7  -2.139  -8.047   5.248
   74    H1*    U   7           H1*        U   7  -0.690  -8.442   2.855
   75    H3     U   7           H3         U   7   2.675  -5.446   2.829
   76    H5     U   7           H5         U   7   0.215  -4.323  -0.382
   77    H6     U   7           H6         U   7  -1.431  -5.874   0.444
   78   1H5*    G   8          1H5*        G   8  -3.547  -6.902   5.685
   79   2H5*    G   8          2H5*        G   8  -4.468  -6.073   6.954
   80    H4*    G   8           H4*        G   8  -2.329  -6.291   7.827
   81    H3*    G   8           H3*        G   8  -2.682  -3.500   6.756
   82    H2*    G   8           H2*        G   8  -0.454  -3.003   7.450
   83   2HO*    G   8          2HO*        G   8  -1.041  -4.504   9.450
   84    H1*    G   8           H1*        G   8   0.589  -5.610   6.855
   85    H8     G   8           H8         G   8  -1.280  -4.322   3.910
   86    H1     G   8           H1         G   8   4.591  -1.817   4.542
   87   1H2     G   8          1H2         G   8   5.456  -2.365   6.476
   88   2H2     G   8          2H2         G   8   4.568  -3.331   7.635
   89   1H5*    U   9          1H5*        U   9  -3.627   0.140   8.748
   90   2H5*    U   9          2H5*        U   9  -3.615   0.175   6.974
   91    H4*    U   9           H4*        U   9  -1.381   0.208   8.910
   92    H3*    U   9           H3*        U   9  -2.080   1.664   6.411
   93    H2*    U   9           H2*        U   9   0.205   1.764   5.693
   94   2HO*    U   9          2HO*        U   9   0.708   1.884   8.218
   95    H1*    U   9           H1*        U   9   0.884  -0.851   6.280
   96    H3     U   9           H3         U   9   0.070  -0.136   1.741
   97    H5     U   9           H5         U   9  -3.299  -2.005   3.406
   98    H6     U   9           H6         U   9  -2.370  -1.570   5.583
   99   1H5*    G  10          1H5*        G  10   1.069   3.590   7.303
  100   2H5*    G  10          2H5*        G  10   0.601   4.820   8.492
  101    H4*    G  10           H4*        G  10   2.426   5.698   7.301
  102    H3*    G  10           H3*        G  10  -0.172   6.946   6.444
  103    H2*    G  10           H2*        G  10   1.071   8.346   4.924
  104   2HO*    G  10          2HO*        G  10   2.996   7.967   6.705
  105    H1*    G  10           H1*        G  10   2.678   6.275   3.948
  106    H8     G  10           H8         G  10  -0.829   5.054   4.652
  107    H1     G  10           H1         G  10  -0.071   7.848  -1.075
  108   1H2     G  10          1H2         G  10   1.911   8.771  -1.210
  109   2H2     G  10          2H2         G  10   3.048   8.723   0.119
  110   1H5*    C  11          1H5*        C  11   2.332   9.865   6.903
  111   2H5*    C  11          2H5*        C  11   1.996  10.923   8.289
  112    H4*    C  11           H4*        C  11   2.505  12.485   6.733
  113    H3*    C  11           H3*        C  11  -0.453  12.067   6.588
  114    H2*    C  11           H2*        C  11  -0.596  13.525   4.678
  115   2HO*    C  11          2HO*        C  11   0.825  15.081   4.502
  116    H1*    C  11           H1*        C  11   1.523  12.408   3.299
  117   1H4     C  11          H41         C  11  -3.276   8.721   1.419
  118   2H4     C  11          H42         C  11  -3.252   7.866   2.944
  119    H5     C  11           H5         C  11  -1.828   8.487   4.789
  120    H6     C  11           H6         C  11  -0.123  10.054   5.549
  121   1H5*    G  12          1H5*        G  12   0.203  15.757   6.145
  122   2H5*    G  12          2H5*        G  12  -0.577  16.972   7.177
  123    H4*    G  12           H4*        G  12  -1.059  17.727   5.063
  124    H3*    G  12           H3*        G  12  -3.403  16.124   6.047
  125    H2*    G  12           H2*        G  12  -4.513  16.539   3.946
  126   2HO*    G  12          2HO*        G  12  -3.058  18.726   3.990
  127    H1*    G  12           H1*        G  12  -2.277  15.987   2.363
  128    H8     G  12           H8         G  12  -2.421  13.743   5.412
  129    H1     G  12           H1         G  12  -5.789  11.650   0.371
  130   1H2     G  12          1H2         G  12  -5.902  13.209  -1.166
  131   2H2     G  12          2H2         G  12  -5.144  14.773  -0.959
  132   1H5*    A  13          1H5*        A  13  -4.952  19.056   4.281
  133   2H5*    A  13          2H5*        A  13  -6.373  19.822   5.018
  134    H4*    A  13           H4*        A  13  -6.957  18.933   2.870
  135    H3*    A  13           H3*        A  13  -8.201  17.477   5.193
  136    H2*    A  13           H2*        A  13  -9.305  16.035   3.643
  137   2HO*    A  13          2HO*        A  13  -9.953  16.818   1.782
  138    H1*    A  13           H1*        A  13  -7.143  15.937   1.779
  139    H8     A  13           H8         A  13  -5.689  15.217   5.102
  140   1H6     A  13          H61         A  13  -7.745   9.403   4.449
  141   2H6     A  13          H62         A  13  -6.696  10.456   5.375
  142    H2     A  13           H2         A  13  -9.693  11.935   1.309
  143   1H5*    U  14          1H5*        U  14 -10.771  18.307   1.983
  144   2H5*    U  14          2H5*        U  14 -12.089  19.335   2.576
  145    H4*    U  14           H4*        U  14 -13.132  17.892   1.105
  146    H3*    U  14           H3*        U  14 -13.560  17.017   3.924
  147    H2*    U  14           H2*        U  14 -14.731  15.050   3.156
  148   2HO*    U  14          2HO*        U  14 -15.292  16.603   1.105
  149    H1*    U  14           H1*        U  14 -12.894  14.345   1.208
  150    H3     U  14           H3         U  14 -11.713  11.437   4.428
  151    H5     U  14           H5         U  14 -10.261  15.110   5.822
  152    H6     U  14           H6         U  14 -11.396  16.172   3.987
  153   1H5*    G  15          1H5*        G  15 -17.077  16.874   2.485
  154   2H5*    G  15          2H5*        G  15 -18.492  17.305   3.464
  155    H4*    G  15           H4*        G  15 -18.573  14.977   3.125
  156    H3*    G  15           H3*        G  15 -17.776  15.727   5.916
  157    H2*    G  15           H2*        G  15 -17.531  13.401   6.475
  158   2HO*    G  15          2HO*        G  15 -18.807  12.031   5.485
  159    H1*    G  15           H1*        G  15 -16.144  12.692   4.170
  160    H8     G  15           H8         G  15 -14.957  16.116   4.944
  161    H1     G  15           H1         G  15 -12.398  11.639   8.756
  162   1H2     G  15          1H2         G  15 -13.450   9.713   8.487
  163   2H2     G  15          2H2         G  15 -14.789   9.557   7.374
  164   1H5*    A  16          1H5*        A  16 -18.521  15.603   8.417
  165   2H5*    A  16          2H5*        A  16 -19.104  14.070   7.743
  166    H4*    A  16           H4*        A  16 -19.649  15.333  10.386
  167    H3*    A  16           H3*        A  16 -18.030  13.286   9.881
  168    H2*    A  16           H2*        A  16 -19.459  11.671   8.924
  169   2HO*    A  16          2HO*        A  16 -19.042  10.918  11.162
  170    H1*    A  16           H1*        A  16 -21.941  12.363  10.447
  171    H8     A  16           H8         A  16 -20.955  13.622   6.994
  172   1H6     A  16          H61         A  16 -24.761   9.272   4.772
  173   2H6     A  16          H62         A  16 -23.756  10.645   4.359
  174    H2     A  16           H2         A  16 -24.448   8.712   9.202
  175   1H5*    A  17          1H5*        A  17 -15.894  10.394  12.121
  176   2H5*    A  17          2H5*        A  17 -16.521  10.891  10.537
  177    H4*    A  17           H4*        A  17 -17.305   8.497  12.184
  178    H3*    A  17           H3*        A  17 -15.746   8.804   9.665
  179    H2*    A  17           H2*        A  17 -16.918   7.034   8.582
  180   2HO*    A  17          2HO*        A  17 -16.867   5.986  10.942
  181    H1*    A  17           H1*        A  17 -19.468   7.517   9.674
  182    H8     A  17           H8         A  17 -17.618  10.639   8.501
  183   1H6     A  17          H61         A  17 -20.588   9.801   3.131
  184   2H6     A  17          H62         A  17 -19.551  10.879   4.042
  185    H2     A  17           H2         A  17 -21.383   6.242   5.724
  186   1H5*    A  18          1H5*        A  18 -12.224   4.679   9.415
  187   2H5*    A  18          2H5*        A  18 -12.873   6.090   8.560
  188    H4*    A  18           H4*        A  18 -14.246   3.480   9.159
  189    H3*    A  18           H3*        A  18 -13.272   4.743   6.624
  190    H2*    A  18           H2*        A  18 -15.212   3.916   5.455
  191   2HO*    A  18          2HO*        A  18 -15.093   2.045   7.334
  192    H1*    A  18           H1*        A  18 -17.055   4.639   7.409
  193    H8     A  18           H8         A  18 -14.431   7.291   7.424
  194   1H6     A  18          H61         A  18 -17.464   9.934   2.722
  195   2H6     A  18          H62         A  18 -16.196  10.144   3.910
  196    H2     A  18           H2         A  18 -19.192   5.850   3.375
  197   1H5*    G  19          1H5*        G  19 -14.191   1.668   4.876
  198   2H5*    G  19          2H5*        G  19 -12.884   0.926   3.934
  199    H4*    G  19           H4*        G  19 -14.495   1.477   2.359
  200    H3*    G  19           H3*        G  19 -12.257   3.461   2.352
  201    H2*    G  19           H2*        G  19 -13.412   4.802   0.710
  202   2HO*    G  19          2HO*        G  19 -14.535   2.464   0.117
  203    H1*    G  19           H1*        G  19 -15.834   4.827   2.012
  204    H8     G  19           H8         G  19 -13.337   4.501   4.743
  205    H1     G  19           H1         G  19 -13.802  10.478   2.489
  206   1H2     G  19          1H2         G  19 -15.000  10.504   0.632
  207   2H2     G  19          2H2         G  19 -15.680   9.043  -0.049
  208   1H5*    U  20          1H5*        U  20 -13.267   3.445  -1.032
  209   2H5*    U  20          2H5*        U  20 -12.082   3.429  -2.352
  210    H4*    U  20           H4*        U  20 -13.424   5.477  -2.312
  211    H3*    U  20           H3*        U  20 -10.452   5.720  -1.951
  212    H2*    U  20           H2*        U  20 -10.687   8.095  -1.721
  213   2HO*    U  20          2HO*        U  20 -12.803   7.633  -3.303
  214    H1*    U  20           H1*        U  20 -13.069   8.013  -0.198
  215    H3     U  20           H3         U  20  -9.508   9.735   2.215
  216    H5     U  20           H5         U  20  -9.692   5.626   3.025
  217    H6     U  20           H6         U  20 -11.274   5.413   1.221
  218   1H5*    C  21          1H5*        C  21 -11.771   8.815  -4.263
  219   2H5*    C  21          2H5*        C  21 -11.286   8.428  -5.925
  220    H4*    C  21           H4*        C  21 -10.928  10.670  -5.895
  221    H3*    C  21           H3*        C  21  -8.357   9.312  -5.229
  222    H2*    C  21           H2*        C  21  -7.297  11.408  -4.722
  223   2HO*    C  21          2HO*        C  21  -8.969  12.319  -6.511
  224    H1*    C  21           H1*        C  21  -9.376  12.480  -3.232
  225   1H4     C  21          H41         C  21  -6.075   9.451   1.247
  226   2H4     C  21          H42         C  21  -6.841   7.939   0.817
  227    H5     C  21           H5         C  21  -8.308   7.703  -1.093
  228    H6     C  21           H6         C  21  -9.353   8.871  -2.960
  229   1H5*    G  22          1H5*        G  22  -7.152  12.054  -7.380
  230   2H5*    G  22          2H5*        G  22  -6.374  11.709  -8.938
  231    H4*    G  22           H4*        G  22  -4.797  13.028  -7.981
  232    H3*    G  22           H3*        G  22  -4.071  10.207  -7.259
  233    H2*    G  22           H2*        G  22  -2.269  11.021  -5.906
  234   2HO*    G  22          2HO*        G  22  -2.285  12.965  -7.704
  235    H1*    G  22           H1*        G  22  -3.651  13.211  -4.820
  236    H8     G  22           H8         G  22  -5.623   9.954  -5.078
  237    H1     G  22           H1         G  22  -2.328  10.746   0.370
  238   1H2     G  22          1H2         G  22  -1.050  12.524   0.229
  239   2H2     G  22          2H2         G  22  -0.999  13.518  -1.210
  240   1H5*    C  23          1H5*        C  23  -0.481  12.455  -7.943
  241   2H5*    C  23          2H5*        C  23   0.287  11.642  -9.316
  242    H4*    C  23           H4*        C  23   2.027  12.015  -7.857
  243    H3*    C  23           H3*        C  23   1.083   9.180  -7.697
  244    H2*    C  23           H2*        C  23   2.585   8.736  -5.881
  245   2HO*    C  23          2HO*        C  23   4.061  10.523  -7.067
  246    H1*    C  23           H1*        C  23   2.093  11.088  -4.483
  247   1H4     C  23          H41         C  23  -2.156   7.141  -1.939
  248   2H4     C  23          H42         C  23  -3.171   7.268  -3.358
  249    H5     C  23           H5         C  23  -2.518   8.488  -5.339
  250    H6     C  23           H6         C  23  -0.777   9.868  -6.346
  251   1H5*    A  24          1H5*        A  24   3.550   6.269 -10.018
  252   2H5*    A  24          2H5*        A  24   2.594   5.531  -8.718
  253    H4*    A  24           H4*        A  24   4.687   7.682  -8.513
  254    H3*    A  24           H3*        A  24   5.255   5.098  -8.363
  255    H2*    A  24           H2*        A  24   3.587   4.467  -6.734
  256   2HO*    A  24          2HO*        A  24   4.726   4.559  -4.617
  257    H1*    A  24           H1*        A  24   4.251   6.941  -5.067
  258    H8     A  24           H8         A  24   0.922   6.396  -6.763
  259   1H6     A  24          H61         A  24  -1.229   4.795  -1.182
  260   2H6     A  24          H62         A  24  -1.669   5.158  -2.838
  261    H2     A  24           H2         A  24   3.221   5.145  -0.900
  262   1H5*    A  25          1H5*        A  25   9.889   4.919  -5.996
  263   2H5*    A  25          2H5*        A  25   9.485   3.385  -6.790
  264    H4*    A  25           H4*        A  25  10.066   2.850  -4.589
  265    H3*    A  25           H3*        A  25   7.715   1.966  -5.461
  266    H2*    A  25           H2*        A  25   6.303   3.730  -4.708
  267   2HO*    A  25          2HO*        A  25   6.360   1.566  -3.148
  268    H1*    A  25           H1*        A  25   7.781   3.969  -2.057
  269    H8     A  25           H8         A  25   7.468   6.181  -5.131
  270   1H6     A  25          H61         A  25   4.014   9.938  -1.610
  271   2H6     A  25          H62         A  25   4.779   9.743  -3.173
  272    H2     A  25           H2         A  25   4.987   6.275   0.779
  273   1H5*    G  26          1H5*        G  26  12.430   0.135  -2.375
  274   2H5*    G  26          2H5*        G  26  10.871  -0.637  -2.029
  275    H4*    G  26           H4*        G  26  11.983   1.952  -1.087
  276    H3*    G  26           H3*        G  26  10.530  -0.340   0.194
  277    H2*    G  26           H2*        G  26   9.638   1.189   1.842
  278   2HO*    G  26          2HO*        G  26  11.779   2.547   1.374
  279    H1*    G  26           H1*        G  26   8.733   3.012  -0.013
  280    H8     G  26           H8         G  26   6.610   2.184  -1.433
  281    H1     G  26           H1         G  26   7.141  -3.523   1.449
  282   1H2     G  26          1H2         G  26   9.098  -3.723   2.398
  283   2H2     G  26          2H2         G  26  10.280  -2.436   2.350
  284   1H5*    C  27          1H5*        C  27  12.436   0.994   3.913
  285   2H5*    C  27          2H5*        C  27  13.609  -0.322   4.121
  286    H4*    C  27           H4*        C  27  12.719  -0.347   6.184
  287    H3*    C  27           H3*        C  27  10.972  -2.170   4.572
  288    H2*    C  27           H2*        C  27   9.520  -2.453   6.470
  289   2HO*    C  27          2HO*        C  27  11.763  -1.937   7.795
  290    H1*    C  27           H1*        C  27   9.448   0.241   7.181
  291   1H4     C  27          H41         C  27   4.537  -0.677   3.154
  292   2H4     C  27          H42         C  27   5.449   0.265   2.005
  293    H5     C  27           H5         C  27   7.721   0.969   2.362
  294    H6     C  27           H6         C  27   9.626   0.874   3.877
  295   1H5*    A  28          1H5*        A  28  11.480  -4.003   7.824
  296   2H5*    A  28          2H5*        A  28  12.184  -5.632   7.853
  297    H4*    A  28           H4*        A  28  10.210  -5.790   9.084
  298    H3*    A  28           H3*        A  28   9.824  -6.918   6.324
  299    H2*    A  28           H2*        A  28   7.546  -7.437   6.912
  300   2HO*    A  28          2HO*        A  28   8.582  -7.626   9.329
  301    H1*    A  28           H1*        A  28   7.051  -4.994   8.201
  302    H8     A  28           H8         A  28   8.987  -3.819   5.361
  303   1H6     A  28          H61         A  28   3.978  -4.530   1.793
  304   2H6     A  28          H62         A  28   5.561  -3.821   1.900
  305    H2     A  28           H2         A  28   3.264  -6.708   5.652
  306   1H5*    C  29          1H5*        C  29   8.398  -9.535   8.865
  307   2H5*    C  29          2H5*        C  29   8.851 -11.239   8.675
  308    H4*    C  29           H4*        C  29   6.507 -11.178   8.710
  309    H3*    C  29           H3*        C  29   7.587 -11.608   5.943
  310    H2*    C  29           H2*        C  29   5.331 -11.659   5.095
  311   2HO*    C  29          2HO*        C  29   4.777 -12.604   7.444
  312    H1*    C  29           H1*        C  29   4.463  -9.424   6.523
  313   1H4     C  29          H41         C  29   6.514  -6.967   1.059
  314   2H4     C  29          H42         C  29   8.145  -6.865   1.689
  315    H5     C  29           H5         C  29   8.769  -7.805   3.842
  316    H6     C  29           H6         C  29   7.954  -9.014   5.798
  317   1H5*    G  30          1H5*        G  30   4.740 -14.332   6.264
  318   2H5*    G  30          2H5*        G  30   5.132 -15.927   5.591
  319    H4*    G  30           H4*        G  30   3.194 -14.978   4.501
  320    H3*    G  30           H3*        G  30   5.639 -15.313   2.778
  321    H2*    G  30           H2*        G  30   4.389 -14.439   0.919
  322   2HO*    G  30          2HO*        G  30   2.355 -15.501   2.317
  323    H1*    G  30           H1*        G  30   3.040 -12.448   2.424
  324    H8     G  30           H8         G  30   6.606 -12.396   3.468
  325    H1     G  30           H1         G  30   5.544  -9.442  -2.124
  326   1H2     G  30          1H2         G  30   3.493  -9.905  -2.841
  327   2H2     G  30          2H2         G  30   2.411 -10.943  -1.940
  328   1H5*    G  31          1H5*        G  31   2.233 -16.476   0.801
  329   2H5*    G  31          2H5*        G  31   2.243 -18.250   0.852
  330    H4*    G  31           H4*        G  31   1.293 -17.933  -1.175
  331    H3*    G  31           H3*        G  31   4.236 -18.159  -1.624
  332    H2*    G  31           H2*        G  31   3.986 -17.583  -3.946
  333   2HO*    G  31          2HO*        G  31   1.649 -18.693  -3.669
  334    H1*    G  31           H1*        G  31   2.314 -15.419  -3.549
  335    H8     G  31           H8         G  31   4.766 -15.999  -0.688
  336    H1     G  31           H1         G  31   6.896 -12.155  -5.358
  337   1H2     G  31          1H2         G  31   5.514 -12.163  -7.050
  338   2H2     G  31          2H2         G  31   4.054 -13.125  -7.048
  339   1H5*    U  32          1H5*        U  32   3.059 -20.127  -4.747
  340   2H5*    U  32          2H5*        U  32   4.071 -21.544  -5.095
  341    H4*    U  32           H4*        U  32   4.284 -19.893  -6.842
  342    H3*    U  32           H3*        U  32   6.746 -20.401  -5.199
  343    H2*    U  32           H2*        U  32   7.924 -18.765  -6.523
  344   2HO*    U  32          2HO*        U  32   7.196 -19.043  -8.576
  345    H1*    U  32           H1*        U  32   5.900 -16.855  -6.450
  346    H3     U  32           H3         U  32   8.994 -15.229  -3.600
  347    H5     U  32           H5         U  32   7.076 -18.267  -1.420
  348    H6     U  32           H6         U  32   5.897 -18.855  -3.432
  349   1H5*    U  33          1H5*        U  33   7.136 -20.642  -9.509
  350   2H5*    U  33          2H5*        U  33   8.391 -21.753 -10.092
  351    H4*    U  33           H4*        U  33   8.539 -19.534 -11.120
  352    H3*    U  33           H3*        U  33  10.886 -20.433  -9.460
  353    H2*    U  33           H2*        U  33  11.993 -18.367 -10.067
  354   2HO*    U  33          2HO*        U  33  10.677 -18.528 -12.242
  355    H1*    U  33           H1*        U  33   9.778 -16.766  -9.501
  356    H3     U  33           H3         U  33  12.744 -16.214  -6.090
  357    H5     U  33           H5         U  33  10.504 -19.618  -5.085
  358    H6     U  33           H6         U  33   9.559 -19.555  -7.298
  359   1H5*    C  34          1H5*        C  34  12.359 -19.155 -13.006
  360   2H5*    C  34          2H5*        C  34  13.698 -20.114 -13.668
  361    H4*    C  34           H4*        C  34  14.295 -17.766 -13.393
  362    H3*    C  34           H3*        C  34  15.823 -19.784 -11.772
  363    H2*    C  34           H2*        C  34  17.118 -18.004 -10.818
  364   2HO*    C  34          2HO*        C  34  16.872 -16.902 -13.105
  365    H1*    C  34           H1*        C  34  14.945 -16.240 -10.469
  366   1H4     C  34          H41         C  34  15.727 -19.017  -4.829
  367   2H4     C  34          H42         C  34  14.550 -20.238  -5.268
  368    H5     C  34           H5         C  34  13.610 -20.393  -7.501
  369    H6     C  34           H6         C  34  13.680 -19.470  -9.763
  370    H3T    C  34           H3T        C  34  16.037 -19.661 -14.022