*HEADER    RNA                                     26-JUL-06   2HUA              
*TITLE     SOLUTION STRUCTURE OF CSFV IRES DOMAIN IIA                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CSFV IRES DOMAIN IIA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 70-84 AND 111-127;                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PREPARED BY IN VITRO TRANSCRIPTION USING T7           
*SOURCE   4 RNA POLYMERASE                                                       
*KEYWDS    RNA HAIRPIN                                                           
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    N.LOCKER, L.E.EASTON, P.J.LUKAVSKY                                    
*REVDAT   1   17-APR-07 2HUA    0                                                


assign (residue 3 and name h2'') (residue 4 and name h6) 1.8 0.4 1.2
assign (residue 4 and name h2'') (residue 5 and name h6) 1.8 0.4 1.2
assign (residue 5 and name h2'') (residue 6 and name h6) 1.8 0.4 1.2
assign (residue 6 and name h2'') (residue 7 and name h6) 1.8 0.4 1.2
assign (residue 9 and name h2'') (residue 10 and name h6) 1.8 0.4 1.2
assign (residue 15 and name h1') (residue 15 and name h8) 1.8 0.4 1.2
assign (residue 15 and name h2'') (residue 16 and name h6) 1.8 0.4 1.2
assign (residue 26 and name h2'') (residue 26 and name h6) 1.8 0.4 1.2
assign (residue 28 and name h2'') (residue 29 and name h6) 1.8 0.4 1.2
assign (residue 29 and name h2'') (residue 30 and name h8) 1.8 0.4 1.2
assign (residue 31 and name h2'') (residue 31 and name h8) 1.8 0.4 1.2
assign (residue 34 and name h2'') (residue 35 and name h8) 1.8 0.4 1.2
assign (residue 35 and name h2'') (residue 36 and name h8) 1.8 0.4 1.2
assign (residue 36 and name h2'') (residue 37 and name h8) 1.8 0.4 1.2
assign (residue 37 and name h2'') (residue 38 and name h8) 1.8 0.4 1.2
assign (residue 4 and name h3') (residue 4 and name h6) 1.8 0 2.2
assign (residue 4 and name h3') (residue 5 and name h6) 1.8 0 2.2
assign (residue 5 and name h3') (residue 5 and name h6) 1.8 0 2.2
assign (residue 6 and name h1') (residue 36 and name h2) 1.8 0 2.2
assign (residue 6 and name h3') (residue 6 and name h6) 1.8 0 2.2
assign (residue 7 and name h2'') (residue 8 and name h8) 1.8 0 2.2
assign (residue 7 and name h3') (residue 7 and name h6) 1.8 0 2.2
assign (residue 8 and name h2'') (residue 8 and name h8) 1.8 0 2.2
assign (residue 8 and name h3') (residue 8 and name h8) 1.8 0 2.2
assign (residue 9 and name h3') (residue 9 and name h8) 1.8 0 2.2
assign (residue 9 and name h3') (residue 10 and name h6) 1.8 0 2.2
assign (residue 10 and name h2'') (residue 11 and name h8) 1.8 0 2.2
assign (residue 10 and name h3') (residue 10 and name h6) 1.8 0 2.2
assign (residue 10 and name h3') (residue 11 and name h8) 1.8 0 2.2
assign (residue 12 and name h2'') (residue 14 and name h8) 1.8 0 2.2
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assign (residue 12 and name h3') (residue 14 and name h8) 1.8 0 2.2
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assign (residue 15 and name h3') (residue 16 and name h6) 1.8 0 2.2
assign (residue 15 and name h8) (residue 24 and name h2) 1.8 0 2.2
assign (residue 24 and name h5'') (residue 24 and name h8) 1.8 0 2.2
assign (residue 25 and name h1') (residue 24 and name h2) 1.8 0 2.2
assign (residue 25 and name h2'') (residue 26 and name h6) 1.8 0 2.2
assign (residue 25 and name h3') (residue 25 and name h6) 1.8 0 2.2
assign (residue 26 and name h3') (residue 26 and name h6) 1.8 0 2.2
assign (residue 27 and name h2'') (residue 28 and name h8) 1.8 0 2.2
assign (residue 27 and name h3') (residue 28 and name h8) 1.8 0 2.2
assign (residue 28 and name h1') (residue 27 and name h2) 1.8 0 2.2
assign (residue 28 and name h3') (residue 28 and name h8) 1.8 0 2.2
assign (residue 28 and name h3') (residue 29 and name h6) 1.8 0 2.2
assign (residue 29 and name h3') (residue 29 and name h6) 1.8 0 2.2
assign (residue 29 and name h3') (residue 30 and name h8) 1.8 0 2.2
assign (residue 30 and name h2'') (residue 31 and name h8) 1.8 0 2.2
assign (residue 30 and name h3') (residue 30 and name h8) 1.8 0 2.2
assign (residue 30 and name h3') (residue 31 and name h8) 1.8 0 2.2
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assign (residue 33 and name h2'') (residue 33 and name h6) 1.8 0 2.2
assign (residue 33 and name h3') (residue 33 and name h6) 1.8 0 2.2
assign (residue 33 and name h3') (residue 34 and name h8) 1.8 0 2.2
assign (residue 33 and name h5) (residue 8 and name h2) 1.8 0 2.2
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assign (residue 34 and name h3') (residue 35 and name h8) 1.8 0 2.2
assign (residue 35 and name h3') (residue 35 and name h8) 1.8 0 2.2
assign (residue 35 and name h3') (residue 36 and name h8) 1.8 0 2.2
assign (residue 36 and name h3') (residue 37 and name h8) 1.8 0 2.2
assign (residue 37 and name h1') (residue 36 and name h2) 1.8 0 2.2
assign (residue 37 and name h3') (residue 37 and name h8) 1.8 0 2.2
assign (residue 37 and name h3') (residue 38 and name h8) 1.8 0 2.2
assign (residue 4 and name h1') (residue 4 and name h6) 1.8 0 3.2
assign (residue 4 and name h1') (residue 5 and name h6) 1.8 0 3.2
assign (residue 4 and name h2'') (residue 4 and name h6) 1.8 0 3.2
assign (residue 5 and name h1') (residue 5 and name h6) 1.8 0 3.2
assign (residue 5 and name h1') (residue 6 and name h6) 1.8 0 3.2
assign (residue 5 and name h2'') (residue 5 and name h6) 1.8 0 3.2
assign (residue 5 and name h3') (residue 5 and name h5) 1.8 0 3.2
assign (residue 6 and name h1') (residue 6 and name h6) 1.8 0 3.2
assign (residue 6 and name h1') (residue 7 and name h6) 1.8 0 3.2
assign (residue 6 and name h2'') (residue 6 and name h6) 1.8 0 3.2
assign (residue 6 and name h3') (residue 6 and name h5) 1.8 0 3.2
assign (residue 6 and name h3') (residue 7 and name h5) 1.8 0 3.2
assign (residue 7 and name h1') (residue 7 and name h6) 1.8 0 3.2
assign (residue 7 and name h2'') (residue 7 and name h6) 1.8 0 3.2
assign (residue 7 and name h3') (residue 7 and name h5) 1.8 0 3.2
assign (residue 7 and name h3') (residue 8 and name h8) 1.8 0 3.2
assign (residue 8 and name h1') (residue 8 and name h8) 1.8 0 3.2
assign (residue 8 and name h1') (residue 9 and name h8) 1.8 0 3.2
assign (residue 9 and name h1') (residue 9 and name h8) 1.8 0 3.2
assign (residue 9 and name h1') (residue 10 and name h6) 1.8 0 3.2
assign (residue 9 and name h1') (residue 32 and name h2) 1.8 0 3.2
assign (residue 9 and name h2'') (residue 9 and name h8) 1.8 0 3.2
assign (residue 9 and name h2'') (residue 10 and name h5) 1.8 0 3.2
assign (residue 10 and name h1') (residue 10 and name h6) 1.8 0 3.2
assign (residue 10 and name h1') (residue 11 and name h8) 1.8 0 3.2
assign (residue 10 and name h2'') (residue 10 and name h6) 1.8 0 3.2
assign (residue 11 and name h1') (residue 11 and name h8) 1.8 0 3.2
assign (residue 11 and name h2'') (residue 11 and name h8) 1.8 0 3.2
assign (residue 11 and name h2'') (residue 12 and name h8) 1.8 0 3.2
assign (residue 11 and name h3') (residue 11 and name h8) 1.8 0 3.2
assign (residue 12 and name h1') (residue 12 and name h8) 1.8 0 3.2
assign (residue 12 and name h1') (residue 14 and name h8) 1.8 0 3.2
assign (residue 14 and name h2'') (residue 14 and name h8) 1.8 0 3.2
assign (residue 14 and name h2'') (residue 15 and name h8) 1.8 0 3.2
assign (residue 15 and name h1') (residue 16 and name h6) 1.8 0 3.2
assign (residue 15 and name h2'') (residue 15 and name h8) 1.8 0 3.2
assign (residue 16 and name h1') (residue 24 and name h2) 1.8 0 3.2
assign (residue 23 and name h1') (residue 24 and name h8) 1.8 0 3.2
assign (residue 23 and name h2'') (residue 24 and name h8) 1.8 0 3.2
assign (residue 24 and name h2'') (residue 24 and name h8) 1.8 0 3.2
assign (residue 24 and name h2'') (residue 25 and name h6) 1.8 0 3.2
assign (residue 24 and name h3') (residue 24 and name h8) 1.8 0 3.2
assign (residue 25 and name h1') (residue 25 and name h6) 1.8 0 3.2
assign (residue 25 and name h1') (residue 26 and name h6) 1.8 0 3.2
assign (residue 25 and name h3') (residue 26 and name h6) 1.8 0 3.2
assign (residue 26 and name h1') (residue 26 and name h6) 1.8 0 3.2
assign (residue 26 and name h1') (residue 27 and name h8) 1.8 0 3.2
assign (residue 26 and name h2'') (residue 27 and name h8) 1.8 0 3.2
assign (residue 26 and name h3') (residue 27 and name h8) 1.8 0 3.2
assign (residue 27 and name h1') (residue 12 and name h2) 1.8 0 3.2
assign (residue 27 and name h1') (residue 27 and name h8) 1.8 0 3.2
assign (residue 27 and name h3') (residue 27 and name h8) 1.8 0 3.2
assign (residue 27 and name h4') (residue 27 and name h8) 1.8 0 3.2
assign (residue 27 and name h8) (residue 12 and name h2) 1.8 0 3.2
assign (residue 28 and name h1') (residue 28 and name h8) 1.8 0 3.2
assign (residue 28 and name h1') (residue 29 and name h6) 1.8 0 3.2
assign (residue 28 and name h2'') (residue 29 and name h5) 1.8 0 3.2
assign (residue 28 and name h3') (residue 29 and name h5) 1.8 0 3.2
assign (residue 28 and name h4') (residue 28 and name h8) 1.8 0 3.2
assign (residue 29 and name h1') (residue 29 and name h6) 1.8 0 3.2
assign (residue 29 and name h1') (residue 30 and name h8) 1.8 0 3.2
assign (residue 29 and name h2'') (residue 29 and name h6) 1.8 0 3.2
assign (residue 30 and name h1') (residue 30 and name h8) 1.8 0 3.2
assign (residue 30 and name h1') (residue 31 and name h8) 1.8 0 3.2
assign (residue 30 and name h2'') (residue 30 and name h8) 1.8 0 3.2
assign (residue 30 and name h4') (residue 30 and name h8) 1.8 0 3.2
assign (residue 30 and name h5'') (residue 30 and name h8) 1.8 0 3.2
assign (residue 30 and name h8) (residue 31 and name h8) 1.8 0 3.2
assign (residue 31 and name h1') (residue 30 and name h2) 1.8 0 3.2
assign (residue 31 and name h1') (residue 31 and name h8) 1.8 0 3.2
assign (residue 31 and name h1') (residue 32 and name h8) 1.8 0 3.2
assign (residue 31 and name h2'') (residue 32 and name h8) 1.8 0 3.2
assign (residue 32 and name h1') (residue 32 and name h8) 1.8 0 3.2
assign (residue 32 and name h1') (residue 33 and name h5) 1.8 0 3.2
assign (residue 32 and name h2) (residue 9 and name h8) 1.8 0 3.2
assign (residue 32 and name h3') (residue 33 and name h5) 1.8 0 3.2
assign (residue 32 and name h3') (residue 33 and name h6) 1.8 0 3.2
assign (residue 33 and name h1') (residue 33 and name h6) 1.8 0 3.2
assign (residue 33 and name h1') (residue 34 and name h8) 1.8 0 3.2
assign (residue 33 and name h2'') (residue 34 and name h8) 1.8 0 3.2
assign (residue 33 and name h4') (residue 34 and name h8) 1.8 0 3.2
assign (residue 33 and name h5') (residue 33 and name h6) 1.8 0 3.2
assign (residue 33 and name h5'') (residue 33 and name h6) 1.8 0 3.2
assign (residue 34 and name h1') (residue 34 and name h8) 1.8 0 3.2
assign (residue 34 and name h1') (residue 35 and name h8) 1.8 0 3.2
assign (residue 34 and name h2'') (residue 34 and name h8) 1.8 0 3.2
assign (residue 34 and name h5'') (residue 34 and name h8) 1.8 0 3.2
assign (residue 35 and name h1') (residue 35 and name h8) 1.8 0 3.2
assign (residue 35 and name h1') (residue 36 and name h8) 1.8 0 3.2
assign (residue 35 and name h2'') (residue 35 and name h8) 1.8 0 3.2
assign (residue 35 and name h2'') (residue 36 and name h1') 1.8 0 3.2
assign (residue 35 and name h5'') (residue 35 and name h8) 1.8 0 3.2
assign (residue 36 and name h1') (residue 36 and name h8) 1.8 0 3.2
assign (residue 36 and name h1') (residue 37 and name h8) 1.8 0 3.2
assign (residue 36 and name h2'') (residue 36 and name h8) 1.8 0 3.2
assign (residue 37 and name h1') (residue 37 and name h8) 1.8 0 3.2
assign (residue 37 and name h1') (residue 38 and name h8) 1.8 0 3.2
assign (residue 37 and name h5'') (residue 37 and name h8) 1.8 0 3.2
assign (residue 3 and name h5) (residue 4 and name h5) 1.8 0 4.7
assign (residue 4 and name h6) (residue 5 and name h6) 1.8 0 4.7
assign (residue 5 and name h1') (residue 6 and name h5) 1.8 0 4.7
assign (residue 5 and name h2'') (residue 6 and name h5) 1.8 0 4.7
assign (residue 5 and name h5) (residue 4 and name h5) 1.8 0 4.7
assign (residue 5 and name h5) (residue 4 and name h6) 1.8 0 4.7
assign (residue 5 and name h5) (residue 5 and name h1') 1.8 0 4.7
assign (residue 5 and name h5) (residue 6 and name h5) 1.8 0 4.7
assign (residue 6 and name h1') (residue 6 and name h5) 1.8 0 4.7
assign (residue 6 and name h2'') (residue 6 and name h5) 1.8 0 4.7
assign (residue 6 and name h5) (residue 5 and name h1') 1.8 0 4.7
assign (residue 6 and name h5) (residue 5 and name h6) 1.8 0 4.7
assign (residue 6 and name h5'') (residue 6 and name h6) 1.8 0 4.7
assign (residue 7 and name h1') (residue 8 and name h8) 1.8 0 4.7
assign (residue 7 and name h2'') (residue 7 and name h5) 1.8 0 4.7
assign (residue 7 and name h2'') (residue 8 and name h1') 1.8 0 4.7
assign (residue 7 and name h4') (residue 7 and name h6) 1.8 0 4.7
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assign (residue 7 and name h5) (residue 6 and name h5) 1.8 0 4.7
assign (residue 7 and name h5) (residue 6 and name h6) 1.8 0 4.7
assign (residue 7 and name h5'') (residue 7 and name h6) 1.8 0 4.7
assign (residue 7 and name h6) (residue 8 and name h8) 1.8 0 4.7
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assign (residue 8 and name h2'') (residue 9 and name h8) 1.8 0 4.7
assign (residue 8 and name h2'') (residue 32 and name h2) 1.8 0 4.7
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assign (residue 8 and name h4') (residue 8 and name h8) 1.8 0 4.7
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assign (residue 9 and name h4') (residue 10 and name h6) 1.8 0 4.7
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assign (residue 10 and name h6) (residue 11 and name h8) 1.8 0 4.7
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assign (residue 38 and name h2'') (residue 39 and name h5) 1.8 0 2.2
assign (residue 38 and name h3') (residue 38 and name h8) 1.8 0 2.2
assign (residue 38 and name h1') (residue 38 and name h8) 1.8 0 3.2
assign (residue 38 and name h1') (residue 39 and name h6) 1.8 0 3.2
assign (residue 38 and name h2'') (residue 39 and name h1') 1.8 0 3.2
assign (residue 39 and name h5) (residue 38 and name h1') 1.8 0 4.7
assign (residue 39 and name h2'') (residue 40 and name h6) 1.8 0.4 1.2
assign (residue 39 and name h1') (residue 39 and name h6) 1.8 0 3.2
assign (residue 39 and name h1') (residue 40 and name h6) 1.8 0 3.2
assign (residue 39 and name h2'') (residue 39 and name h5) 1.8 0 3.2
assign (residue 39 and name h3') (residue 39 and name h5) 1.8 0 3.2
assign (residue 39 and name h2'') (residue 40 and name h1') 1.8 0 4.7
assign (residue 40 and name h3') (residue 40 and name h6) 1.8 0 2.2
assign (residue 40 and name h1') (residue 40 and name h6) 1.8 0 3.2
assign (residue 40 and name h2'') (residue 40 and name h5) 1.8 0 3.2
assign (residue 40 and name h2'') (residue 40 and name h6) 1.8 0 3.2
assign (residue 40 and name h4') (residue 40 and name h6) 1.8 0 3.2
assign (residue 40 and name h5) (residue 40 and name h1') 1.8 0 4.7
assign (residue 40 and name h41) (residue 1 and name h1) 1.8 0 1.7
assign (residue 40 and name h42) (residue 1 and name h1) 1.8 0 1.7
assign (residue 39 and name h41) (residue 2 and name h1) 1.8 0 1.7
assign (residue 39 and name h42) (residue 2 and name h1) 1.8 0 1.7
assign (residue 3 and name h1') (residue 2 and name h1) 1.8 0 4.2
assign (residue 38 and name h1) (residue 2 and name h1) 1.8 0 4.2
assign (residue 2 and name h1') (residue 2 and name h1) 3.5 0 3.0
assign (residue 3 and name h41) (residue 2 and name h1) 3.5 0 3.0
assign (residue 3 and name h5) (residue 2 and name h1) 3.5 0 3.0
assign (residue 39 and name h5) (residue 2 and name h1) 3.5 0 3.0
assign (residue 40 and name h1') (residue 2 and name h1) 3.5 0 3.0
assign (residue 40 and name h41) (residue 2 and name h1) 3.5 0 3.0
assign (residue 40 and name h6) (residue 2 and name h1) 3.5 0 3.0
assign (residue 3 and name h41) (residue 38 and name h1) 1.8 0 1.7
assign (residue 3 and name h42) (residue 38 and name h1) 1.8 0 1.7
assign (residue 3 and name h5) (residue 38 and name h1) 1.8 0 4.2
assign (residue 3 and name h1') (residue 38 and name h1) 3.5 0 3.0
assign (residue 3 and name h6) (residue 38 and name h1) 3.5 0 3.0
assign (residue 39 and name h1') (residue 38 and name h1) 3.5 0 3.0
assign (residue 39 and name h41) (residue 38 and name h1) 3.5 0 3.0
assign (residue 39 and name h5) (residue 38 and name h1) 3.5 0 3.0
assign (residue 40 and name h42) (residue 39 and name h41) 1.8 0 4.2
assign (residue 40 and name h5) (residue 39 and name h41) 1.8 0 4.2
assign (residue 4 and name c4') (residue 4 and name o4') 
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assign (residue 4 and name o4') (residue 4 and name c1') 
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assign (residue 4 and name c1') (residue 4 and name c2') 
       (residue 4 and name c3') (residue 4 and name c4') 2 36 15 2
assign (residue 4 and name c2') (residue 4 and name c3') 
       (residue 4 and name c4') (residue 4 and name o4') 2 -36 15 2
assign (residue 5 and name c4') (residue 5 and name o4')
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assign (residue 5 and name o4') (residue 5 and name c1')
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assign (residue 5 and name c1') (residue 5 and name c2')
       (residue 5 and name c3') (residue 5 and name c4') 2 36 15 2
assign (residue 5 and name c2') (residue 5 and name c3')
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assign (residue 6 and name c4') (residue 6 and name o4')
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assign (residue 6 and name o4') (residue 6 and name c1')
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assign (residue 6 and name c1') (residue 6 and name c2')
       (residue 6 and name c3') (residue 6 and name c4') 2 36 15 2
assign (residue 6 and name c2') (residue 6 and name c3')
       (residue 6 and name c4') (residue 6 and name o4') 2 -36 15 2
assign (residue 7 and name c4') (residue 7 and name o4')
       (residue 7 and name c1') (residue 7 and name c2') 2 0 15 2
assign (residue 7 and name o4') (residue 7 and name c1')
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assign (residue 7 and name c1') (residue 7 and name c2')
       (residue 7 and name c3') (residue 7 and name c4') 2 36 15 2
assign (residue 7 and name c2') (residue 7 and name c3')
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assign (residue 9 and name c4') (residue 9 and name o4')
       (residue 9 and name c1') (residue 9 and name c2') 2 0 15 2
assign (residue 9 and name o4') (residue 9 and name c1') 
       (residue 9 and name c2') (residue 9 and name c3') 2 -22 15 2
assign (residue 9 and name c1') (residue 9 and name c2') 
       (residue 9 and name c3') (residue 9 and name c4') 2 36 15 2
assign (residue 9 and name c2') (residue 9 and name c3') 
       (residue 9 and name c4') (residue 9 and name o4') 2 -36 15 2
assign (residue 10 and name c4') (residue 10 and name o4') 
       (residue 10 and name c1') (residue 10 and name c2') 2 0 15 2 
assign (residue 10 and name o4') (residue 10 and name c1') 
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assign (residue 10 and name c1') (residue 10 and name c2') 
       (residue 10 and name c3') (residue 10 and name c4') 2 36 15 2
assign (residue 10 and name c2') (residue 10 and name c3') 
       (residue 10 and name c4') (residue 10 and name o4') 2 -36 15 2
assign (residue 11 and name c4') (residue 11 and name o4')
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assign (residue 11 and name o4') (residue 11 and name c1')
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assign (residue 11 and name c1') (residue 11 and name c2')
       (residue 11 and name c3') (residue 11 and name c4') 2 36 15 2
assign (residue 11 and name c2') (residue 11 and name c3')
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assign (residue 12 and name c4') (residue 12 and name o4')
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assign (residue 12 and name o4') (residue 12 and name c1')
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assign (residue 12 and name c1') (residue 12 and name c2')
       (residue 12 and name c3') (residue 12 and name c4') 2 36 15 2
assign (residue 12 and name c2') (residue 12 and name c3')
       (residue 12 and name c4') (residue 12 and name o4') 2 -36 15 2
assign (residue 14 and name c4') (residue 14 and name o4')
       (residue 14 and name c1') (residue 14 and name c2') 2 0 15 2
assign (residue 14 and name o4') (residue 14 and name c1')
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assign (residue 14 and name c1') (residue 14 and name c2')
       (residue 14 and name c3') (residue 14 and name c4') 2 36 15 2
assign (residue 14 and name c2') (residue 14 and name c3')
       (residue 14 and name c4') (residue 14 and name o4') 2 -36 15 2
assign (residue 15 and name c4') (residue 15 and name o4')
       (residue 15 and name c1') (residue 15 and name c2') 2 0 15 2
assign (residue 15 and name o4') (residue 15 and name c1')
       (residue 15 and name c2') (residue 15 and name c3')  2 -22 15 2
assign (residue 15 and name c1') (residue 15 and name c2')
       (residue 15 and name c3') (residue 15 and name c4') 2 36 15 2
assign (residue 15 and name c2') (residue 15 and name c3')
       (residue 15 and name c4') (residue 15 and name o4') 2 -36 15 2
assign (residue 24 and name c4') (residue 24 and name o4')
       (residue 24 and name c1') (residue 24 and name c2') 2 0 15 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name c2') (residue 24 and name c3') 2 -22 15 2
assign (residue 24 and name c1') (residue 24 and name c2')
       (residue 24 and name c3') (residue 24 and name c4') 2 36 15 2
assign (residue 24 and name c2') (residue 24 and name c3')
       (residue 24 and name c4') (residue 24 and name o4') 2 -36 15 2
assign (residue 25 and name c4') (residue 25 and name o4') 
       (residue 25 and name c1') (residue 25 and name c2') 2 0 15 2
assign (residue 25 and name o4') (residue 25 and name c1') 
       (residue 25 and name c2') (residue 25 and name c3') 2 -22 15 2
assign (residue 25 and name c1') (residue 25 and name c2') 
       (residue 25 and name c3') (residue 25 and name c4') 2 36 15 2
assign (residue 25 and name c2') (residue 25 and name c3') 
       (residue 25 and name c4') (residue 25 and name o4') 2 -36 15 2
assign (residue 27 and name c4') (residue 27 and name o4')
       (residue 27 and name c1') (residue 27 and name c2') 2 0 15 2
assign (residue 27 and name o4') (residue 27 and name c1')
       (residue 27 and name c2') (residue 27 and name c3') 2 -22 15 2
assign (residue 27 and name c1') (residue 27 and name c2')
       (residue 27 and name c3') (residue 27 and name c4') 2 36 15 2
assign (residue 27 and name c2') (residue 27 and name c3')
       (residue 27 and name c4') (residue 27 and name o4') 2 -36 15 2
assign (residue 28 and name c4') (residue 28 and name o4')
       (residue 28 and name c1') (residue 28 and name c2') 2 0 15 2
assign (residue 28 and name o4') (residue 28 and name c1')
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assign (residue 28 and name c1') (residue 28 and name c2')
       (residue 28 and name c3') (residue 28 and name c4') 2 36 15 2
assign (residue 28 and name c2') (residue 28 and name c3')
       (residue 28 and name c4') (residue 28 and name o4') 2 -36 15 2
assign (residue 29 and name c4') (residue 29 and name o4')
       (residue 29 and name c1') (residue 29 and name c2') 2 0 15 2
assign (residue 29 and name o4') (residue 29 and name c1')
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assign (residue 29 and name c1') (residue 29 and name c2')
       (residue 29 and name c3') (residue 29 and name c4') 2 36 15 2
assign (residue 29 and name c2') (residue 29 and name c3')
       (residue 29 and name c4') (residue 29 and name o4') 2 -36 15 2
assign (residue 30 and name c4') (residue 30 and name o4')
       (residue 30 and name c1') (residue 30 and name c2') 2 0 15 2
assign (residue 30 and name o4') (residue 30 and name c1')
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assign (residue 30 and name c1') (residue 30 and name c2')
       (residue 30 and name c3') (residue 30 and name c4') 2 36 15 2
assign (residue 30 and name c2') (residue 30 and name c3')
       (residue 30 and name c4') (residue 30 and name o4') 2 -36 15 2
assign (residue 34 and name c4') (residue 34 and name o4')
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assign (residue 34 and name o4') (residue 34 and name c1')
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assign (residue 34 and name c1') (residue 34 and name c2')
       (residue 34 and name c3') (residue 34 and name c4') 2 36 15 2
assign (residue 34 and name c2') (residue 34 and name c3')
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assign (residue 35 and name c4') (residue 35 and name o4')
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assign (residue 35 and name o4') (residue 35 and name c1')
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assign (residue 35 and name c1') (residue 35 and name c2')
       (residue 35 and name c3') (residue 35 and name c4') 2 36 15 2
assign (residue 35 and name c2') (residue 35 and name c3')
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assign (residue 36 and name c4') (residue 36 and name o4')
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assign (residue 36 and name o4') (residue 36 and name c1')
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assign (residue 36 and name c1') (residue 36 and name c2')
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assign (residue 36 and name c2') (residue 36 and name c3')
       (residue 36 and name c4') (residue 36 and name o4') 2 -36 15 2
assign (residue 37 and name c4') (residue 37 and name o4')
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assign (residue 37 and name o4') (residue 37 and name c1')
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assign (residue 37 and name c1') (residue 37 and name c2')
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assign (residue 37 and name c2') (residue 37 and name c3')
       (residue 37 and name c4') (residue 37 and name o4') 2 -36 15 2
assign (residue 31 and name c4') (residue 31 and name o4')
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assign (residue 31 and name o4') (residue 31 and name c1')
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assign (residue 31 and name c1') (residue 31 and name c2')
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assign (residue 31 and name c2') (residue 31 and name c3')
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assign (residue 32 and name c4') (residue 32 and name o4')
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assign (residue 32 and name o4') (residue 32 and name c1')
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assign (residue 32 and name c1') (residue 32 and name c2')
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assign (residue 32 and name c2') (residue 32 and name c3')
       (residue 32 and name c4') (residue 32 and name o4') 2 26 25 2
assign (residue 8 and name c4') (residue 8 and name o4')
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assign (residue 8 and name o4') (residue 8 and name c1')
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assign (residue 8 and name c1') (residue 8 and name c2')
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assign (residue 8 and name c2') (residue 8 and name c3')
       (residue 8 and name c4') (residue 8 and name o4') 2 0 32 2
assign (residue 26 and name c4') (residue 26 and name o4')
       (residue 26 and name c1') (residue 26 and name c2') 2 -20 20 2
assign (residue 26 and name o4') (residue 26 and name c1')
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assign (residue 26 and name c1') (residue 26 and name c2')
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assign (residue 26 and name c2') (residue 26 and name c3')
       (residue 26 and name c4') (residue 26 and name o4') 2 0 32 2
assign (residue 33 and name c4') (residue 33 and name o4')
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assign (residue 33 and name o4') (residue 33 and name c1')
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assign (residue 33 and name c1') (residue 33 and name c2')
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assign (residue 33 and name c2') (residue 33 and name c3')
       (residue 33 and name c4') (residue 33 and name o4') 2 0 32 2
assign (residue 4 and name p) (residue 4 and name o5')
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assign (residue 5 and name p) (residue 5 and name o5')
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assign (residue 6 and name p) (residue 6 and name o5')
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assign (residue 7 and name p) (residue 7 and name o5')
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assign (residue 8 and name p) (residue 8 and name o5')
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assign (residue 9 and name p) (residue 9 and name o5')
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assign (residue 10 and name p) (residue 10 and name o5')
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assign (residue 11 and name p) (residue 11 and name o5')
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assign (residue 12 and name p) (residue 12 and name o5')
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assign (residue 14 and name p) (residue 14 and name o5')
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assign (residue 15 and name p) (residue 15 and name o5')
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assign (residue 24 and name p) (residue 24 and name o5')
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assign (residue 25 and name p) (residue 25 and name o5')
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assign (residue 26 and name p) (residue 26 and name o5')
        (residue 26 and name c5') (residue 26 and name c4') 2 170 30 2
assign (residue 27 and name p) (residue 27 and name o5')
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assign (residue 28 and name p) (residue 28 and name o5')
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assign (residue 29 and name p) (residue 29 and name o5')
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assign (residue 30 and name p) (residue 30 and name o5')
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assign (residue 31 and name p) (residue 31 and name o5')
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assign (residue 32 and name p) (residue 32 and name o5')
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assign (residue 33 and name p) (residue 33 and name o5')
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assign (residue 34 and name p) (residue 34 and name o5')
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assign (residue 35 and name p) (residue 35 and name o5')
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assign (residue 36 and name p) (residue 36 and name o5')
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assign (residue 37 and name p) (residue 37 and name o5')
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assign (residue 4 and name o5') (residue 4 and name c5')
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assign (residue 5 and name o5') (residue 5 and name c5')
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assign (residue 6 and name o5') (residue 6 and name c5')
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assign (residue 7 and name o5') (residue 7 and name c5')
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assign (residue 8 and name o5') (residue 8 and name c5')
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assign (residue 9 and name o5') (residue 9 and name c5')
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assign (residue 10 and name o5') (residue 10 and name c5')
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assign (residue 11 and name o5') (residue 11 and name c5')
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assign (residue 12 and name o5') (residue 12 and name c5')
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assign (residue 14 and name o5') (residue 14 and name c5')
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assign (residue 15 and name o5') (residue 15 and name c5')
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assign (residue 25 and name o5') (residue 25 and name c5')
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assign (residue 26 and name o5') (residue 26 and name c5')
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assign (residue 27 and name o5') (residue 27 and name c5')
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assign (residue 28 and name o5') (residue 28 and name c5')
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assign (residue 29 and name o5') (residue 29 and name c5')
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assign (residue 30 and name o5') (residue 30 and name c5')
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assign (residue 32 and name o5') (residue 32 and name c5')
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assign (residue 33 and name o5') (residue 33 and name c5')
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assign (residue 34 and name o5') (residue 34 and name c5')
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assign (residue 35 and name o5') (residue 35 and name c5')
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assign (residue 36 and name o5') (residue 36 and name c5')
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assign (residue 37 and name o5') (residue 37 and name c5')
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assign (residue 24 and name o5') (residue 24 and name c5')
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assign (residue 31 and name o5') (residue 31 and name c5')
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assign (residue 4 and name c4') (residue 4 and name c3')
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assign (residue 5 and name c4') (residue 5 and name c3')
        (residue 5 and name o3') (residue 6 and name p) 2 -155 30 2
assign (residue 6 and name c4') (residue 6 and name c3')
        (residue 6 and name o3') (residue 7 and name p) 2 -155 30 2
assign (residue 7 and name c4') (residue 7 and name c3')
        (residue 7 and name o3') (residue 8 and name p) 2 -155 30 2
assign (residue 8 and name c4') (residue 8 and name c3')
        (residue 8 and name o3') (residue 9 and name p) 2 -155 30 2
assign (residue 9 and name c4') (residue 9 and name c3')
        (residue 9 and name o3') (residue 10 and name p) 2 -155 30 2
assign (residue 10 and name c4') (residue 10 and name c3')
        (residue 10 and name o3') (residue 11 and name p) 2 -155 30 2
assign (residue 11 and name c4') (residue 11 and name c3')
        (residue 11 and name o3') (residue 12 and name p) 2 -155 30 2
assign (residue 12 and name c4') (residue 12 and name c3')
        (residue 12 and name o3') (residue 13 and name p) 2 -155 30 2
assign (residue 14 and name c4') (residue 14 and name c3')
        (residue 14 and name o3') (residue 15 and name p) 2 -155 30 2
assign (residue 15 and name c4') (residue 15 and name c3')
        (residue 15 and name o3') (residue 16 and name p) 2 -155 30 2
assign (residue 24 and name c4') (residue 24 and name c3')
        (residue 24 and name o3') (residue 25 and name p) 2 -155 30 2
assign (residue 25 and name c4') (residue 25 and name c3')
        (residue 25 and name o3') (residue 26 and name p) 2 -155 30 2
assign (residue 26 and name c4') (residue 26 and name c3')
        (residue 26 and name o3') (residue 27 and name p) 2 -155 30 2
assign (residue 27 and name c4') (residue 27 and name c3')
        (residue 27 and name o3') (residue 28 and name p) 2 -155 30 2
assign (residue 28 and name c4') (residue 28 and name c3')
        (residue 28 and name o3') (residue 29 and name p) 2 -155 30 2
assign (residue 29 and name c4') (residue 29 and name c3')
        (residue 29 and name o3') (residue 30 and name p) 2 -155 30 2
assign (residue 30 and name c4') (residue 30 and name c3')
        (residue 30 and name o3') (residue 31 and name p) 2 -155 30 2
assign (residue 33 and name c4') (residue 33 and name c3')
        (residue 33 and name o3') (residue 34 and name p) 2 -155 30 2
assign (residue 34 and name c4') (residue 34 and name c3')
        (residue 34 and name o3') (residue 35 and name p) 2 -155 30 2
assign (residue 35 and name c4') (residue 35 and name c3')
        (residue 35 and name o3') (residue 36 and name p) 2 -155 30 2
assign (residue 36 and name c4') (residue 36 and name c3')
        (residue 36 and name o3') (residue 37 and name p) 2 -155 30 2
assign (residue 37 and name c4') (residue 37 and name c3')
        (residue 37 and name o3') (residue 38 and name p) 2 -155 30 2
assign (residue 31 and name c4') (residue 31 and name c3')
        (residue 31 and name o3') (residue 32 and name p) 2 -90 30 2
assign (residue 32 and name c4') (residue 32 and name c3')
        (residue 32 and name o3') (residue 33 and name p) 2 -90 30 2
assign (residue 4 and name h42) (residue 4 and name n4)
        (residue 4 and name c4) (residue 4 and name c5) 10 0 5 2
assign (residue 6 and name h42) (residue 6 and name n4)
        (residue 6 and name c4) (residue 6 and name c5) 10 0 5 2
assign (residue 7 and name h42) (residue 7 and name n4)
        (residue 7 and name c4) (residue 7 and name c5) 10 0 5 2
assign (residue 8 and name h62) (residue 8 and name n6)
        (residue 8 and name c6) (residue 8 and name c5) 10 0 5 2
assign (residue 9 and name h22) (residue 9 and name n2)
        (residue 9 and name c2) (residue 9 and name n3) 10 0 5 2
assign (residue 10 and name h42) (residue 10 and name n4)
        (residue 10 and name c4) (residue 10 and name c5) 10 0 5 2
assign (residue 11 and name h22) (residue 11 and name n2)
        (residue 11 and name c2) (residue 11 and name n3) 10 0 5 2
assign (residue 12 and name h62) (residue 12 and name n6)
        (residue 12 and name c6) (residue 12 and name c5) 10 0 5 2
assign (residue 13 and name h42) (residue 13 and name n4)
        (residue 13 and name c4) (residue 13 and name c5) 10 0 5 2
assign (residue 14 and name h22) (residue 14 and name n2)
        (residue 14 and name c2) (residue 14 and name n3) 10 0 5 2
assign (residue 15 and name h22) (residue 15 and name n2)
        (residue 15 and name c2) (residue 15 and name n3) 10 0 5 2
assign (residue 24 and name h62) (residue 24 and name n6)
        (residue 24 and name c6) (residue 24 and name c5) 10 0 5 2
assign (residue 25 and name h42) (residue 25 and name n4)
        (residue 25 and name c4) (residue 25 and name c5) 10 0 5 2
assign (residue 27 and name h62) (residue 27 and name n6)
        (residue 27 and name c6) (residue 27 and name c5) 10 0 5 2
assign (residue 28 and name h22) (residue 28 and name n2)
        (residue 28 and name c2) (residue 28 and name n3) 10 0 5 2
assign (residue 29 and name h42) (residue 29 and name n4)
        (residue 29 and name c4) (residue 29 and name c5) 10 0 5 2
assign (residue 30 and name h62) (residue 30 and name n6)
        (residue 30 and name c6) (residue 30 and name c5) 10 0 5 2
assign (residue 31 and name h62) (residue 31 and name n6)
        (residue 31 and name c6) (residue 31 and name c5) 10 0 5 2
assign (residue 32 and name h62) (residue 32 and name n6)
        (residue 32 and name c6) (residue 32 and name c5) 10 0 5 2
assign (residue 33 and name h42) (residue 33 and name n4)
        (residue 33 and name c4) (residue 33 and name c5) 10 0 5 2
assign (residue 34 and name h22) (residue 34 and name n2)
        (residue 34 and name c2) (residue 34 and name n3) 10 0 5 2
assign (residue 35 and name h22) (residue 35 and name n2)
        (residue 35 and name c2) (residue 35 and name n3) 10 0 5 2
assign (residue 36 and name h62) (residue 36 and name n6)
        (residue 36 and name c6) (residue 36 and name c5) 10 0 5 2
assign (residue 37 and name h22) (residue 37 and name n2)
        (residue 37 and name c2) (residue 37 and name n3) 10 0 5 2
assign (residue 16 and name p) (residue 16 and name o5')
        (residue 16 and name c5') (residue 16 and name c4') 2 170 30 2
assign (residue 17 and name p) (residue 17 and name o5')
        (residue 17 and name c5') (residue 17 and name c4') 2 170 30 2
assign (residue 18 and name p) (residue 18 and name o5')
        (residue 18 and name c5') (residue 18 and name c4') 2 170 30 2
assign (residue 19 and name p) (residue 19 and name o5')
        (residue 19 and name c5') (residue 19 and name c4') 2 170 60 2
assign (residue 20 and name p) (residue 20 and name o5')
        (residue 20 and name c5') (residue 20 and name c4') 2 170 60 2
assign (residue 21 and name p) (residue 21 and name o5')
        (residue 21 and name c5') (residue 21 and name c4') 2 170 30 2
assign (residue 22 and name p) (residue 22 and name o5')
        (residue 22 and name c5') (residue 22 and name c4') 2 170 30 2
assign (residue 23 and name p) (residue 23 and name o5')
        (residue 23 and name c5') (residue 23 and name c4') 2 170 30 2
assign (residue 16 and name o5') (residue 16 and name c5')
        (residue 16 and name c4') (residue 16 and name c3') 2 55 30 2
assign (residue 17 and name o5') (residue 17 and name c5')
        (residue 17 and name c4') (residue 17 and name c3') 2 55 30 2
assign (residue 18 and name o5') (residue 18 and name c5')
        (residue 18 and name c4') (residue 18 and name c3') 2 55 30 2
assign (residue 19 and name o5') (residue 19 and name c5')
        (residue 19 and name c4') (residue 19 and name c3') 2 55 30 2
assign (residue 20 and name o5') (residue 20 and name c5')
        (residue 20 and name c4') (residue 20 and name c3') 2 55 30 2
assign (residue 21 and name o5') (residue 21 and name c5')
        (residue 21 and name c4') (residue 21 and name c3') 2 -155 30 2
assign (residue 22 and name o5') (residue 22 and name c5')
        (residue 22 and name c4') (residue 22 and name c3') 2 -155 30 2
assign (residue 23 and name o5') (residue 23 and name c5')
        (residue 23 and name c4') (residue 23 and name c3') 2 55 30 2
assign (residue 16 and name c4') (residue 16 and name c3')
        (residue 16 and name o3') (residue 17 and name p) 2 -155 30 2
assign (residue 17 and name c4') (residue 17 and name c3')
        (residue 17 and name o3') (residue 18 and name p) 2 -155 30 2
assign (residue 18 and name c4') (residue 18 and name c3')
        (residue 18 and name o3') (residue 19 and name p) 2 -155 30 2
assign (residue 19 and name c4') (residue 19 and name c3')
        (residue 19 and name o3') (residue 20 and name p) 2 -90 30 2
assign (residue 20 and name c4') (residue 20 and name c3')
        (residue 20 and name o3') (residue 21 and name p) 2 -90 30 2
assign (residue 21 and name c4') (residue 21 and name c3')
        (residue 21 and name o3') (residue 22 and name p) 2 -155 30 2
assign (residue 22 and name c4') (residue 22 and name c3')
        (residue 22 and name o3') (residue 23 and name p) 2 -155 30 2
assign (residue 23 and name c4') (residue 23 and name c3')
        (residue 23 and name o3') (residue 24 and name p) 2 -155 30 2
assign (residue 16 and name c4') (residue 16 and name o4')
       (residue 16 and name c1') (residue 16 and name c2') 2 0 15 2
assign (residue 16 and name o4') (residue 16 and name c1')
       (residue 16 and name c2') (residue 16 and name c3') 2 -22 15 2
assign (residue 16 and name c1') (residue 16 and name c2')
       (residue 16 and name c3') (residue 16 and name c4') 2 36 15 2
assign (residue 16 and name c2') (residue 16 and name c3')
       (residue 16 and name c4') (residue 16 and name o4') 2 -36 15 2
assign (residue 17 and name c4') (residue 17 and name o4')
       (residue 17 and name c1') (residue 17 and name c2') 2 0 15 2
assign (residue 17 and name o4') (residue 17 and name c1')
       (residue 17 and name c2') (residue 17 and name c3') 2 -22 15 2
assign (residue 17 and name c1') (residue 17 and name c2')
       (residue 17 and name c3') (residue 17 and name c4') 2 36 15 2
assign (residue 17 and name c2') (residue 17 and name c3')
       (residue 17 and name c4') (residue 17 and name o4') 2 -36 15 2
assign (residue 18 and name c4') (residue 18 and name o4')
       (residue 18 and name c1') (residue 18 and name c2') 2 0 15 2
assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name c2') (residue 18 and name c3') 2 -22 15 2
assign (residue 18 and name c1') (residue 18 and name c2')
       (residue 18 and name c3') (residue 18 and name c4') 2 36 15 2
assign (residue 18 and name c2') (residue 18 and name c3')
       (residue 18 and name c4') (residue 18 and name o4') 2 -36 15 2
assign (residue 19 and name c4') (residue 19 and name o4')
       (residue 19 and name c1') (residue 19 and name c2') 2 -18 15 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name c2') (residue 19 and name c3') 2 34 15 2
assign (residue 19 and name c1') (residue 19 and name c2')
       (residue 19 and name c3') (residue 19 and name c4') 2 -37 15 2
assign (residue 19 and name c2') (residue 19 and name c3')
       (residue 19 and name c4') (residue 19 and name o4') 2 26 15 2
assign (residue 20 and name c4') (residue 20 and name o4')
       (residue 20 and name c1') (residue 20 and name c2') 2 -18 15 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name c2') (residue 20 and name c3') 2 34 15 2
assign (residue 20 and name c1') (residue 20 and name c2')
       (residue 20 and name c3') (residue 20 and name c4') 2 -37 15 2
assign (residue 20 and name c2') (residue 20 and name c3')
       (residue 20 and name c4') (residue 20 and name o4') 2 26 15 2
assign (residue 21 and name c4') (residue 21 and name o4')
       (residue 21 and name c1') (residue 21 and name c2') 2 0 15 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name c2') (residue 21 and name c3') 2 -22 15 2
assign (residue 21 and name c1') (residue 21 and name c2')
       (residue 21 and name c3') (residue 21 and name c4') 2 36 15 2
assign (residue 21 and name c2') (residue 21 and name c3')
       (residue 21 and name c4') (residue 21 and name o4') 2 -36 15 2
assign (residue 22 and name c4') (residue 22 and name o4')
       (residue 22 and name c1') (residue 22 and name c2') 2 0 15 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name c2') (residue 22 and name c3') 2 -22 15 2
assign (residue 22 and name c1') (residue 22 and name c2')
       (residue 22 and name c3') (residue 22 and name c4') 2 36 15 2
assign (residue 22 and name c2') (residue 22 and name c3')
       (residue 22 and name c4') (residue 22 and name o4') 2 -36 15 2
assign (residue 23 and name c4') (residue 23 and name o4')
       (residue 23 and name c1') (residue 23 and name c2') 2 0 15 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name c2') (residue 23 and name c3') 2 -22 15 2
assign (residue 23 and name c1') (residue 23 and name c2')
       (residue 23 and name c3') (residue 23 and name c4') 2 36 15 2
assign (residue 23 and name c2') (residue 23 and name c3')
       (residue 23 and name c4') (residue 23 and name o4') 2 -36 15 2
assign (residue 16 and name h42) (residue 16 and name n4)
        (residue 16 and name c4) (residue 16 and name c5) 10 0 5 2
assign (residue 17 and name h42) (residue 17 and name n4)
        (residue 17 and name c4) (residue 17 and name c5) 10 0 5 2
assign (residue 20 and name h42) (residue 20 and name n4)
        (residue 20 and name c4) (residue 20 and name c5) 10 0 5 2
assign (residue 21 and name h22) (residue 21 and name n2)
        (residue 21 and name c2) (residue 21 and name n3) 10 0 5 2
assign (residue 22 and name h22) (residue 22 and name n2)
        (residue 22 and name c2) (residue 22 and name n3) 10 0 5 2
assign (residue 23 and name h22) (residue 23 and name n2)
        (residue 23 and name c2) (residue 23 and name n3) 10 0 5 2
assign (residue 2 and name p) (residue 2 and name o5')
        (residue 2 and name c5') (residue 2 and name c4') 2 170 30 2
assign (residue 3 and name p) (residue 3 and name o5')
        (residue 3 and name c5') (residue 3 and name c4') 2 170 30 2
assign (residue 38 and name p) (residue 38 and name o5')
        (residue 38 and name c5') (residue 38 and name c4') 2 170 30 2
assign (residue 39 and name p) (residue 39 and name o5')
        (residue 39 and name c5') (residue 39 and name c4') 2 170 30 2
assign (residue 40 and name p) (residue 40 and name o5')
        (residue 40 and name c5') (residue 40 and name c4') 2 170 30 2
assign (residue 1 and name o5') (residue 1 and name c5')
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assign (residue 2 and name o5') (residue 2 and name c5')
        (residue 2 and name c4') (residue 2 and name c3') 2 55 30 2
assign (residue 3 and name o5') (residue 3 and name c5')
        (residue 3 and name c4') (residue 3 and name c3') 2 55 30 2
assign (residue 38 and name o5') (residue 38 and name c5')
        (residue 38 and name c4') (residue 38 and name c3') 2 55 30 2
assign (residue 39 and name o5') (residue 39 and name c5')
        (residue 39 and name c4') (residue 39 and name c3') 2 55 30 2
assign (residue 40 and name o5') (residue 40 and name c5')
        (residue 40 and name c4') (residue 40 and name c3') 2 55 30 2
assign (residue 1 and name c4') (residue 1 and name c3')
        (residue 1 and name o3') (residue 2 and name p) 2 -155 30 2
assign (residue 2 and name c4') (residue 2 and name c3')
        (residue 2 and name o3') (residue 3 and name p) 2 -155 30 2
assign (residue 3 and name c4') (residue 3 and name c3')
        (residue 3 and name o3') (residue 4 and name p) 2 -155 30 2
assign (residue 38 and name c4') (residue 38 and name c3')
        (residue 38 and name o3') (residue 39 and name p) 2 -155 30 2
assign (residue 39 and name c4') (residue 39 and name c3')
        (residue 39 and name o3') (residue 40 and name p) 2 -155 30 2
assign (residue 1 and name c4') (residue 1 and name o4')
       (residue 1 and name c1') (residue 1 and name c2') 2 0 15 2
assign (residue 1 and name o4') (residue 1 and name c1')
       (residue 1 and name c2') (residue 1 and name c3') 2 -22 15 2
assign (residue 1 and name c1') (residue 1 and name c2')
       (residue 1 and name c3') (residue 1 and name c4') 2 36 15 2
assign (residue 1 and name c2') (residue 1 and name c3')
       (residue 1 and name c4') (residue 1 and name o4') 2 -36 15 2
assign (residue 2 and name c4') (residue 2 and name o4')
       (residue 2 and name c1') (residue 2 and name c2') 2 0 15 2
assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name c2') (residue 2 and name c3') 2 -22 15 2
assign (residue 2 and name c1') (residue 2 and name c2')
       (residue 2 and name c3') (residue 2 and name c4') 2 36 15 2
assign (residue 2 and name c2') (residue 2 and name c3')
       (residue 2 and name c4') (residue 2 and name o4') 2 -36 15 2
assign (residue 3 and name c4') (residue 3 and name o4')
       (residue 3 and name c1') (residue 3 and name c2') 2 0 15 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name c2') (residue 3 and name c3') 2 -22 15 2
assign (residue 3 and name c1') (residue 3 and name c2')
       (residue 3 and name c3') (residue 3 and name c4') 2 36 15 2
assign (residue 3 and name c2') (residue 3 and name c3')
       (residue 3 and name c4') (residue 3 and name o4') 2 -36 15 2
assign (residue 38 and name c4') (residue 38 and name o4')
       (residue 38 and name c1') (residue 38 and name c2') 2 0 15 2
assign (residue 38 and name o4') (residue 38 and name c1')
       (residue 38 and name c2') (residue 38 and name c3') 2 -22 15 2
assign (residue 38 and name c1') (residue 38 and name c2')
       (residue 38 and name c3') (residue 38 and name c4') 2 36 15 2
assign (residue 38 and name c2') (residue 38 and name c3')
       (residue 38 and name c4') (residue 38 and name o4') 2 -36 15 2
assign (residue 39 and name c4') (residue 39 and name o4')
       (residue 39 and name c1') (residue 39 and name c2') 2 0 15 2
assign (residue 39 and name o4') (residue 39 and name c1')
       (residue 39 and name c2') (residue 39 and name c3') 2 -22 15 2
assign (residue 39 and name c1') (residue 39 and name c2')
       (residue 39 and name c3') (residue 39 and name c4') 2 36 15 2
assign (residue 39 and name c2') (residue 39 and name c3')
       (residue 39 and name c4') (residue 39 and name o4') 2 -36 15 2
assign (residue 40 and name c4') (residue 40 and name o4')
       (residue 40 and name c1') (residue 40 and name c2') 2 0 15 2
assign (residue 40 and name o4') (residue 40 and name c1')
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assign (residue 40 and name c1') (residue 40 and name c2')
       (residue 40 and name c3') (residue 40 and name c4') 2 36 15 2
assign (residue 40 and name c2') (residue 40 and name c3')
       (residue 40 and name c4') (residue 40 and name o4') 2 -36 15 2
assign (residue 1 and name h22) (residue 1 and name n2)
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assign (residue 2 and name h22) (residue 2 and name n2)
        (residue 2 and name c2) (residue 2 and name n3) 10 0 5 2
assign (residue 3 and name h42) (residue 3 and name n4)
        (residue 3 and name c4) (residue 3 and name c5) 10 0 5 2
assign (residue 38 and name h22) (residue 38 and name n2)
        (residue 38 and name c2) (residue 38 and name n3) 10 0 5 2
assign (residue 39 and name h42) (residue 39 and name n4)
        (residue 39 and name c4) (residue 39 and name c5) 10 0 5 2
assign (residue 40 and name h42) (residue 40 and name n4)
        (residue 40 and name c4) (residue 40 and name c5) 10 0 5 2
assign (residue 37 and name n1) (residue 4 and name n3) 2.8 0.2 0.2
assign (residue 36 and name n1) (residue 5 and name n3) 2.8 0.2 0.2
assign (residue 35 and name n1) (residue 6 and name n3) 2.8 0.2 0.2
assign (residue 34 and name n1) (residue 7 and name n3) 2.8 0.2 0.2
assign (residue 9 and name n1) (residue 29 and name n3) 2.8 0.2 0.2
assign (residue 28 and name n1) (residue 10 and name n3) 2.8 0.2 0.2
assign (residue 14 and name n1) (residue 25 and name n3) 2.8 0.2 0.2
assign (residue 23 and name n1) (residue 16 and name n3) 2.8 0.2 0.2
assign (residue 22 and name n1) (residue 17 and name n3) 2.8 0.2 0.2
assign (residue 1 and name n1) (residue 40 and name n3) 2.8 0.2 0.2
assign (residue 2 and name n1) (residue 39 and name n3) 2.8 0.2 0.2
assign (residue 38 and name n1) (residue 3 and name n3) 2.8 0.2 0.2
(residue 1 and name c2' )(residue 1 and name h2'' ) 11.4 2.5
(residue 1 and name c4' )(residue 1 and name h4' ) 2.8 2.5
(residue 2 and name c1' )(residue 2 and name h1' ) -8.9 2.5
(residue 2 and name c3' )(residue 2 and name h3' ) 0.1 2.5
(residue 2 and name c8 )(residue 2 and name h8 ) 11.9 2.5
(residue 3 and name c5 )(residue 3 and name h5 ) 14.3 2.5
(residue 4 and name c6 )(residue 4 and name h6 ) 6.4 2.5
(residue 4 and name c1' )(residue 4 and name h1' ) 0.8 2.5
(residue 4 and name c5 )(residue 4 and name h5 ) 9.2 2.5
(residue 5 and name c6 )(residue 5 and name h6 ) 10.3 2.5
(residue 5 and name c5 )(residue 5 and name h5 ) 8.3 2.5
(residue 6 and name c6 )(residue 6 and name h6 ) 14.7 2.5
(residue 6 and name c5 )(residue 6 and name h5 ) 9.4 2.5
(residue 7 and name c1' )(residue 7 and name h1' ) 8.5 2.5
(residue 7 and name c5 )(residue 7 and name h5 ) 12.2 2.5
(residue 8 and name c2 )(residue 8 and name h2 ) 13.3 2.5
(residue 8 and name c8 )(residue 8 and name h8 ) 2.1 2.5
(residue 8 and name c1' )(residue 8 and name h1' ) 4.7 2.5
(residue 8 and name c3' )(residue 8 and name h3' ) 4.1 2.5
(residue 8 and name c4' )(residue 8 and name h4' ) 10.8 2.5
(residue 9 and name c8 )(residue 9 and name h8 ) 3.4 2.5
(residue 9 and name c1' )(residue 9 and name h1' ) -1.5 2.5
(residue 9 and name c2' )(residue 9 and name h2'' ) -6.7 2.5
(residue 9 and name c3' )(residue 9 and name h3' ) 9.5 2.5
(residue 9 and name c4' )(residue 9 and name h4' ) 11.9 2.5
(residue 10 and name c6 )(residue 10 and name h6 ) 9.4 2.5
(residue 11 and name c2' )(residue 11 and name h2'' ) 8.9 2.5
(residue 11 and name c3' )(residue 11 and name h3' ) 8.8 2.5
(residue 13 and name c5 )(residue 13 and name h5 ) 13.0 2.5
(residue 14 and name c4' )(residue 14 and name h4' ) 4.1 2.5
(residue 16 and name c5 )(residue 16 and name h5 ) -4.7 2.5
(residue 17 and name c1' )(residue 17 and name h1' ) -23.0 2.5
(residue 17 and name c3' )(residue 17 and name h3' ) -0.8 2.5
(residue 17 and name c5 )(residue 17 and name h5 ) -0.9 2.5
(residue 18 and name c6 )(residue 18 and name h6 ) 14.0 2.5
(residue 18 and name c1' )(residue 18 and name h1' ) -9.0 2.5
(residue 18 and name c3' )(residue 18 and name h3' ) -8.2 2.5
(residue 19 and name c6 )(residue 19 and name h6 ) -5.1 2.5
(residue 19 and name c1' )(residue 19 and name h1' ) 8.8 2.5
(residue 19 and name c2' )(residue 19 and name h2'' ) 9.5 2.5
(residue 19 and name c3' )(residue 19 and name h3' ) 1.1 2.5
(residue 19 and name c4' )(residue 19 and name h4' ) -4.8 2.5
(residue 19 and name c5 )(residue 19 and name h5 ) 11.4 2.5
(residue 20 and name c1' )(residue 20 and name h1' ) 8.2 2.5
(residue 20 and name c2' )(residue 20 and name h2'' ) 6.0 2.5
(residue 20 and name c3' )(residue 20 and name h3' ) 2.6 2.5
(residue 20 and name c4' )(residue 20 and name h4' ) -8.7 2.5
(residue 20 and name c5 )(residue 20 and name h5 ) 8.3 2.5
(residue 21 and name c8 )(residue 21 and name h8 ) 7.2 2.5
(residue 21 and name c1' )(residue 21 and name h1' ) 7.4 2.5
(residue 21 and name c2' )(residue 21 and name h2'' ) 0.1 2.5
(residue 21 and name c3' )(residue 21 and name h3' ) 7.7 2.5
(residue 21 and name c4' )(residue 21 and name h4' ) 15.0 2.5
(residue 22 and name c8 )(residue 22 and name h8 ) 16.5 2.5
(residue 22 and name c3' )(residue 22 and name h3' ) 10.3 2.5
(residue 22 and name c4' )(residue 22 and name h4' ) 3.3 2.5
(residue 23 and name c8 )(residue 23 and name h8 ) 5.8 2.5
(residue 24 and name c1' )(residue 24 and name h1' ) 5.5 2.5
(residue 24 and name c2 )(residue 24 and name h2 ) 4.9 2.5
(residue 25 and name c2' )(residue 25 and name h2'' ) 12.7 2.5
(residue 25 and name c4' )(residue 25 and name h4' ) 6.7 2.5
(residue 26 and name c3' )(residue 26 and name h3' ) 7.8 2.5
(residue 27 and name c2 )(residue 27 and name h2 ) 12.6 2.5
(residue 27 and name c8 )(residue 27 and name h8 ) 13.7 2.5
(residue 27 and name c1' )(residue 27 and name h1' ) 0.4 2.5
(residue 27 and name c2' )(residue 27 and name h2'' ) 7.6 2.5
(residue 28 and name c1' )(residue 28 and name h1' ) -12.1 2.5
(residue 28 and name c2' )(residue 28 and name h2'' ) -3.3 2.5
(residue 28 and name c4' )(residue 28 and name h4' ) 5.0 2.5
(residue 28 and name c8 )(residue 28 and name h8 ) 14.4 2.5
(residue 29 and name c6 )(residue 29 and name h6 ) 6.2 2.5
(residue 29 and name c1' )(residue 29 and name h1' ) 0.0 2.5
(residue 29 and name c4' )(residue 29 and name h4' ) 9.4 2.5
(residue 29 and name c5 )(residue 29 and name h5 ) 12.7 2.5
(residue 30 and name c8 )(residue 30 and name h8 ) 6.3 2.5
(residue 30 and name c1' )(residue 30 and name h1' ) 2.3 2.5
(residue 30 and name c2' )(residue 30 and name h2'' ) -1.0 2.5
(residue 30 and name c4' )(residue 30 and name h4' ) 15.4 2.5
(residue 30 and name c2 )(residue 30 and name h2 ) 8.6 2.5
(residue 31 and name c2 )(residue 31 and name h2 ) 7.2 2.5
(residue 31 and name c8 )(residue 31 and name h8 ) 11.2 2.5
(residue 31 and name c1' )(residue 31 and name h1' ) 5.1 2.5
(residue 31 and name c2' )(residue 31 and name h2'' ) 6.2 2.5
(residue 31 and name c3' )(residue 31 and name h3' ) 6.0 2.5
(residue 31 and name c4' )(residue 31 and name h4' ) 11.2 2.5
(residue 32 and name c2 )(residue 32 and name h2 ) 4.7 2.5
(residue 32 and name c8 )(residue 32 and name h8 ) 2.0 2.5
(residue 32 and name c1' )(residue 32 and name h1' ) 1.4 2.5
(residue 32 and name c4' )(residue 32 and name h4' ) 3.0 2.5
(residue 33 and name c6 )(residue 33 and name h6 ) 3.5 2.5
(residue 33 and name c1' )(residue 33 and name h1' ) -10.5 2.5
(residue 33 and name c4' )(residue 33 and name h4' ) 4.0 2.5
(residue 33 and name c5 )(residue 33 and name h5 ) -4.7 2.5
(residue 34 and name c3' )(residue 34 and name h3' ) 1.8 2.5
(residue 36 and name c2 )(residue 36 and name h2 ) 13.1 2.5
(residue 36 and name c1' )(residue 36 and name h1' ) -9.1 2.5
(residue 36 and name c2' )(residue 36 and name h2'' ) -5.0 2.5
(residue 37 and name c8 )(residue 37 and name h8 ) 1.7 2.5
(residue 37 and name c3' )(residue 37 and name h3' ) 1.3 2.5
(residue 38 and name c8 )(residue 38 and name h8 ) 6.1 2.5
(residue 39 and name c3' )(residue 39 and name h3' ) 8.7 2.5
(residue 39 and name c5 )(residue 39 and name h5 ) 7.3 2.5
(residue 40 and name c6 )(residue 40 and name h6 ) 7.4 2.5
(residue 40 and name c2' )(residue 40 and name h2'' ) 7.3 2.5
(residue 40 and name c3' )(residue 40 and name h3' ) 7.1 2.5
(residue 40 and name c5 )(residue 40 and name h5 ) 5.3 2.5
(residue 40 and name c4' )(residue 40 and name h4' ) 7.4 2.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  52.298   7.354   2.862
    2   2H5*    G   1          2H5*        G   1  51.499   6.895   1.345
    3    H4*    G   1           H4*        G   1  53.738   5.853   1.455
    4    H3*    G   1           H3*        G   1  51.194   4.247   1.578
    5    H2*    G   1           H2*        G   1  52.306   2.212   2.105
    6   2HO*    G   1          2HO*        G   1  53.826   2.360   0.423
    7    H1*    G   1           H1*        G   1  54.309   3.146   3.683
    8    H8     G   1           H8         G   1  51.758   5.087   5.285
    9    H1     G   1           H1         G   1  50.340  -1.133   5.928
   10   1H2     G   1          1H2         G   1  51.557  -2.343   4.539
   11   2H2     G   1          2H2         G   1  52.610  -1.622   3.342
   12    H5T    G   1           H5T        G   1  50.967   5.104   3.293
   13   1H5*    G   2          1H5*        G   2  51.820   2.411  -2.991
   14   2H5*    G   2          2H5*        G   2  50.046   2.456  -3.041
   15    H4*    G   2           H4*        G   2  51.306   0.120  -3.125
   16    H3*    G   2           H3*        G   2  48.889   1.010  -1.548
   17    H2*    G   2           H2*        G   2  48.640  -1.154  -0.603
   18   2HO*    G   2          2HO*        G   2  49.156  -2.346  -2.523
   19    H1*    G   2           H1*        G   2  51.258  -1.438   0.096
   20    H8     G   2           H8         G   2  50.864   2.173   0.583
   21    H1     G   2           H1         G   2  47.081  -1.033   4.640
   22   1H2     G   2          1H2         G   2  47.017  -3.170   4.079
   23   2H2     G   2          2H2         G   2  47.739  -3.769   2.603
   24   1H5*    C   3          1H5*        C   3  47.163  -1.942  -4.604
   25   2H5*    C   3          2H5*        C   3  45.414  -1.702  -4.775
   26    H4*    C   3           H4*        C   3  46.251  -3.885  -3.606
   27    H3*    C   3           H3*        C   3  44.093  -1.943  -2.826
   28    H2*    C   3           H2*        C   3  43.712  -2.906  -0.745
   29   2HO*    C   3          2HO*        C   3  43.427  -5.018  -1.314
   30    H1*    C   3           H1*        C   3  46.278  -3.721  -0.109
   31   1H4     C   3          1H4         C   3  44.776   1.672   3.049
   32   2H4     C   3          2H4         C   3  45.622   2.577   1.815
   33    H5     C   3           H5         C   3  46.651   1.540  -0.098
   34    H6     C   3           H6         C   3  46.895  -0.541  -1.361
   35   1H5*    C   4          1H5*        C   4  41.532  -5.448  -2.889
   36   2H5*    C   4          2H5*        C   4  39.874  -4.842  -3.071
   37    H4*    C   4           H4*        C   4  40.798  -5.608  -0.683
   38    H3*    C   4           H3*        C   4  38.997  -3.352  -1.551
   39    H2*    C   4           H2*        C   4  39.047  -2.304   0.490
   40   2HO*    C   4          2HO*        C   4  38.496  -3.460   2.137
   41    H1*    C   4           H1*        C   4  41.493  -3.408   1.502
   42   1H4     C   4          1H4         C   4  41.674   3.006   1.247
   43   2H4     C   4          2H4         C   4  42.695   2.834  -0.160
   44    H5     C   4           H5         C   4  43.016   0.728  -1.308
   45    H6     C   4           H6         C   4  42.448  -1.651  -1.321
   46   1H5*    U   5          1H5*        U   5  37.138  -5.377   2.217
   47   2H5*    U   5          2H5*        U   5  35.461  -5.613   1.688
   48    H4*    U   5           H4*        U   5  35.542  -4.646   3.971
   49    H3*    U   5           H3*        U   5  34.416  -3.202   1.591
   50    H2*    U   5           H2*        U   5  34.215  -1.168   2.641
   51   2HO*    U   5          2HO*        U   5  32.997  -1.386   4.349
   52    H1*    U   5           H1*        U   5  36.174  -1.442   4.662
   53    H3     U   5           H3         U   5  37.023   2.529   2.643
   54    H5     U   5           H5         U   5  38.156  -0.358  -0.210
   55    H6     U   5           H6         U   5  37.195  -2.058   1.227
   56   1H5*    C   6          1H5*        C   6  31.067  -3.256   5.219
   57   2H5*    C   6          2H5*        C   6  29.611  -2.729   4.353
   58    H4*    C   6           H4*        C   6  30.503  -1.354   6.455
   59    H3*    C   6           H3*        C   6  29.260  -0.560   3.845
   60    H2*    C   6           H2*        C   6  29.828   1.658   3.973
   61   2HO*    C   6          2HO*        C   6  29.515   2.766   5.740
   62    H1*    C   6           H1*        C   6  32.066   1.541   5.679
   63   1H4     C   6          1H4         C   6  33.920   3.601  -0.062
   64   2H4     C   6          2H4         C   6  33.685   2.009  -0.744
   65    H5     C   6           H5         C   6  32.972   0.110   0.565
   66    H6     C   6           H6         C   6  32.112  -0.614   2.744
   67   1H5*    C   7          1H5*        C   7  27.872   2.152   7.191
   68   2H5*    C   7          2H5*        C   7  26.109   2.262   7.030
   69    H4*    C   7           H4*        C   7  27.049   4.512   7.349
   70    H3*    C   7           H3*        C   7  25.817   3.656   4.743
   71    H2*    C   7           H2*        C   7  26.463   5.542   3.591
   72   2HO*    C   7          2HO*        C   7  26.565   6.869   6.107
   73    H1*    C   7           H1*        C   7  28.728   6.293   5.110
   74   1H4     C   7          1H4         C   7  30.613   4.694  -0.769
   75   2H4     C   7          2H4         C   7  30.390   2.999  -0.401
   76    H5     C   7           H5         C   7  29.240   2.231   1.585
   77    H6     C   7           H6         C   7  28.383   2.892   3.777
   78   1H5*    A   8          1H5*        A   8  23.961   7.506   4.637
   79   2H5*    A   8          2H5*        A   8  22.484   7.161   3.716
   80    H4*    A   8           H4*        A   8  24.424   8.519   2.568
   81    H3*    A   8           H3*        A   8  22.536   6.442   1.627
   82    H2*    A   8           H2*        A   8  23.790   5.548  -0.051
   83   2HO*    A   8          2HO*        A   8  24.880   8.130  -0.543
   84    H1*    A   8           H1*        A   8  26.359   6.743   0.454
   85    H8     A   8           H8         A   8  24.756   4.036   2.698
   86   1H6     A   8          1H6         A   8  27.963  -0.019  -0.691
   87   2H6     A   8          2H6         A   8  27.004   0.208   0.755
   88    H2     A   8           H2         A   8  28.502   4.050  -2.501
   89   1H5*    G   9          1H5*        G   9  22.188  10.714  -0.571
   90   2H5*    G   9          2H5*        G   9  20.483  11.048  -0.935
   91    H4*    G   9           H4*        G   9  22.190  11.458  -2.843
   92    H3*    G   9           H3*        G   9  19.641   9.859  -2.880
   93    H2*    G   9           H2*        G   9  19.942   9.119  -5.073
   94   2HO*    G   9          2HO*        G   9  21.139  10.163  -6.560
   95    H1*    G   9           H1*        G   9  22.700   8.731  -4.991
   96    H8     G   9           H8         G   9  21.919   7.118  -1.861
   97    H1     G   9           H1         G   9  19.028   4.015  -6.673
   98   1H2     G   9          1H2         G   9  19.074   5.242  -8.506
   99   2H2     G   9          2H2         G   9  19.640   6.897  -8.507
  100   1H5*    C  10          1H5*        C  10  19.424  11.793  -6.378
  101   2H5*    C  10          2H5*        C  10  17.966  12.785  -6.580
  102    H4*    C  10           H4*        C  10  18.248  11.255  -8.503
  103    H3*    C  10           H3*        C  10  15.974  11.025  -6.548
  104    H2*    C  10           H2*        C  10  15.208   9.018  -7.371
  105   2HO*    C  10          2HO*        C  10  16.391   9.785  -9.842
  106    H1*    C  10           H1*        C  10  17.595   8.046  -8.565
  107   1H4     C  10          1H4         C  10  15.898   4.014  -3.937
  108   2H4     C  10          2H4         C  10  16.338   5.182  -2.713
  109    H5     C  10           H5         C  10  17.268   7.347  -3.239
  110    H6     C  10           H6         C  10  17.756   8.937  -5.037
  111   1H5*    G  11          1H5*        G  11  13.919  10.280 -10.250
  112   2H5*    G  11          2H5*        G  11  12.324  11.041 -10.092
  113    H4*    G  11           H4*        G  11  12.271   8.511 -10.385
  114    H3*    G  11           H3*        G  11  11.057  10.110  -8.148
  115    H2*    G  11           H2*        G  11  10.554   8.289  -6.843
  116   2HO*    G  11          2HO*        G  11  10.412   6.799  -9.263
  117    H1*    G  11           H1*        G  11  12.406   6.400  -7.920
  118    H8     G  11           H8         G  11  13.526   9.661  -6.142
  119    H1     G  11           H1         G  11  12.849   4.557  -2.317
  120   1H2     G  11          1H2         G  11  11.948   2.886  -3.436
  121   2H2     G  11          2H2         G  11  11.695   2.948  -5.165
  122   1H5*    A  12          1H5*        A  12   8.694   8.435 -11.632
  123   2H5*    A  12          2H5*        A  12   7.167   9.231 -12.063
  124    H4*    A  12           H4*        A  12   6.996   6.829 -12.547
  125    H3*    A  12           H3*        A  12   5.414   8.192 -10.414
  126    H2*    A  12           H2*        A  12   4.719   6.303  -9.310
  127   2HO*    A  12          2HO*        A  12   3.672   5.414 -11.109
  128    H1*    A  12           H1*        A  12   6.723   4.467 -10.025
  129    H8     A  12           H8         A  12   6.862   7.944  -8.211
  130   1H6     A  12          1H6         A  12   7.898   4.616  -3.110
  131   2H6     A  12          2H6         A  12   7.802   6.228  -3.784
  132    H2     A  12           H2         A  12   7.489   1.774  -6.556
  133   1H5*    C  13          1H5*        C  13   1.522  10.171 -10.893
  134   2H5*    C  13          2H5*        C  13   3.198  10.669 -10.576
  135    H4*    C  13           H4*        C  13   1.608   8.938  -8.638
  136    H3*    C  13           H3*        C  13   1.288  11.748  -9.326
  137    H2*    C  13           H2*        C  13   2.636  12.719  -7.774
  138   2HO*    C  13          2HO*        C  13   2.156  12.237  -5.519
  139    H1*    C  13           H1*        C  13   3.357  10.347  -6.187
  140   1H4     C  13          1H4         C  13   8.671  13.844  -6.327
  141   2H4     C  13          2H4         C  13   8.710  13.787  -8.075
  142    H5     C  13           H5         C  13   7.001  12.720  -9.397
  143    H6     C  13           H6         C  13   4.874  11.515  -9.335
  144   1H5*    G  14          1H5*        G  14   0.590   7.551 -10.162
  145   2H5*    G  14          2H5*        G  14  -1.164   7.318 -10.028
  146    H4*    G  14           H4*        G  14  -0.495   5.158  -9.544
  147    H3*    G  14           H3*        G  14  -0.659   6.861  -7.105
  148    H2*    G  14           H2*        G  14   0.661   5.570  -5.742
  149   2HO*    G  14          2HO*        G  14   0.679   3.347  -5.835
  150    H1*    G  14           H1*        G  14   2.183   4.136  -7.641
  151    H8     G  14           H8         G  14   3.127   7.553  -8.393
  152    H1     G  14           H1         G  14   5.106   5.963  -2.510
  153   1H2     G  14          1H2         G  14   4.143   4.078  -1.874
  154   2H2     G  14          2H2         G  14   2.871   3.319  -2.803
  155   1H5*    G  15          1H5*        G  15  -1.280   3.684  -5.067
  156   2H5*    G  15          2H5*        G  15  -2.996   3.538  -4.642
  157    H4*    G  15           H4*        G  15  -2.019   3.276  -2.541
  158    H3*    G  15           H3*        G  15  -2.703   6.135  -3.154
  159    H2*    G  15           H2*        G  15  -1.469   7.027  -1.429
  160   2HO*    G  15          2HO*        G  15  -1.160   5.935   0.529
  161    H1*    G  15           H1*        G  15   0.374   4.894  -0.999
  162    H8     G  15           H8         G  15   2.578   6.234  -1.128
  163    H1     G  15           H1         G  15   0.337  10.090  -5.718
  164   1H2     G  15          1H2         G  15  -1.740   9.558  -6.213
  165   2H2     G  15          2H2         G  15  -2.518   8.129  -5.570
  166   1H5*    C  16          1H5*        C  16  -5.694   4.185   0.309
  167   2H5*    C  16          2H5*        C  16  -6.667   5.464   1.060
  168    H4*    C  16           H4*        C  16  -5.126   3.976   2.589
  169    H3*    C  16           H3*        C  16  -5.558   6.960   2.538
  170    H2*    C  16           H2*        C  16  -3.932   7.366   4.159
  171   2HO*    C  16          2HO*        C  16  -4.651   5.756   5.624
  172    H1*    C  16           H1*        C  16  -2.072   5.482   3.406
  173   1H4     C  16          1H4         C  16  -0.425  11.251   1.155
  174   2H4     C  16          2H4         C  16  -1.685  11.158  -0.052
  175    H5     C  16           H5         C  16  -3.128   9.245  -0.318
  176    H6     C  16           H6         C  16  -3.749   7.075   0.594
  177   1H5*    C  17          1H5*        C  17  -7.061   6.545   7.004
  178   2H5*    C  17          2H5*        C  17  -7.908   8.103   7.025
  179    H4*    C  17           H4*        C  17  -5.708   7.710   8.495
  180    H3*    C  17           H3*        C  17  -6.601  10.118   6.876
  181    H2*    C  17           H2*        C  17  -4.704  11.301   7.509
  182   2HO*    C  17          2HO*        C  17  -5.021  10.426   9.800
  183    H1*    C  17           H1*        C  17  -2.916   9.154   7.491
  184   1H4     C  17          1H4         C  17  -2.079  12.932   2.392
  185   2H4     C  17          2H4         C  17  -3.334  12.064   1.541
  186    H5     C  17           H5         C  17  -4.539  10.210   2.508
  187    H6     C  17           H6         C  17  -4.949   8.944   4.557
  188   1H5*    U  18          1H5*        U  18  -4.976  12.472   9.666
  189   2H5*    U  18          2H5*        U  18  -6.229  13.680  10.009
  190    H4*    U  18           H4*        U  18  -4.171  14.622   8.876
  191    H3*    U  18           H3*        U  18  -7.002  14.744   7.923
  192    H2*    U  18           H2*        U  18  -6.473  15.610   5.849
  193   2HO*    U  18          2HO*        U  18  -4.959  17.126   5.542
  194    H1*    U  18           H1*        U  18  -3.734  14.731   5.707
  195    H3     U  18           H3         U  18  -5.448  13.527   1.671
  196    H5     U  18           H5         U  18  -7.594  11.189   4.446
  197    H6     U  18           H6         U  18  -6.499  12.407   6.224
  198   1H5*    U  19          1H5*        U  19  -7.927  19.691   9.753
  199   2H5*    U  19          2H5*        U  19  -8.488  19.972   8.094
  200    H4*    U  19           H4*        U  19  -7.185  21.912   8.683
  201    H3*    U  19           H3*        U  19  -6.519  20.195   6.574
  202    H2*    U  19           H2*        U  19  -4.534  19.278   7.357
  203   2HO*    U  19          2HO*        U  19  -3.768  21.947   6.749
  204    H1*    U  19           H1*        U  19  -3.781  21.600   9.082
  205    H3     U  19           H3         U  19  -1.385  19.219  12.048
  206    H5     U  19           H5         U  19  -3.399  16.255   9.837
  207    H6     U  19           H6         U  19  -4.530  17.998   8.629
  208   1H5*    C  20          1H5*        C  20  -4.419  20.273   4.813
  209   2H5*    C  20          2H5*        C  20  -4.316  21.799   3.912
  210    H4*    C  20           H4*        C  20  -3.816  20.202   2.255
  211    H3*    C  20           H3*        C  20  -6.162  21.635   2.031
  212    H2*    C  20           H2*        C  20  -7.622  19.998   2.838
  213   2HO*    C  20          2HO*        C  20  -7.268  19.253   0.103
  214    H1*    C  20           H1*        C  20  -6.173  17.744   1.483
  215   1H4     C  20          1H4         C  20  -9.320  14.334   5.796
  216   2H4     C  20          2H4         C  20  -9.499  15.709   6.861
  217    H5     C  20           H5         C  20  -8.488  17.856   6.400
  218    H6     C  20           H6         C  20  -7.229  19.164   4.767
  219   1H5*    G  21          1H5*        G  21  -1.427  21.000   0.462
  220   2H5*    G  21          2H5*        G  21  -1.951  20.097   1.891
  221    H4*    G  21           H4*        G  21  -1.033  23.013   1.894
  222    H3*    G  21           H3*        G  21   0.319  20.377   2.197
  223    H2*    G  21           H2*        G  21   1.057  20.668   4.340
  224   2HO*    G  21          2HO*        G  21   1.234  23.429   3.674
  225    H1*    G  21           H1*        G  21  -0.623  22.768   5.248
  226    H8     G  21           H8         G  21  -0.458  21.425   7.504
  227    H1     G  21           H1         G  21  -3.085  16.255   4.777
  228   1H2     G  21          1H2         G  21  -3.167  16.506   2.588
  229   2H2     G  21          2H2         G  21  -2.776  18.022   1.809
  230   1H5*    G  22          1H5*        G  22   4.949  20.050   2.732
  231   2H5*    G  22          2H5*        G  22   3.431  19.187   2.413
  232    H4*    G  22           H4*        G  22   4.380  20.246   5.119
  233    H3*    G  22           H3*        G  22   4.491  17.664   3.636
  234    H2*    G  22           H2*        G  22   3.346  16.366   5.170
  235   2HO*    G  22          2HO*        G  22   3.849  16.514   7.194
  236    H1*    G  22           H1*        G  22   1.586  18.171   6.257
  237    H8     G  22           H8         G  22   1.459  18.740   2.550
  238    H1     G  22           H1         G  22  -1.380  13.257   4.257
  239   1H2     G  22          1H2         G  22  -0.838  12.735   6.336
  240   2H2     G  22          2H2         G  22   0.051  13.828   7.372
  241   1H5*    G  23          1H5*        G  23   6.010  16.487   7.473
  242   2H5*    G  23          2H5*        G  23   7.586  15.704   7.243
  243    H4*    G  23           H4*        G  23   6.064  14.246   8.548
  244    H3*    G  23           H3*        G  23   7.122  13.571   5.831
  245    H2*    G  23           H2*        G  23   5.684  11.831   5.417
  246   2HO*    G  23          2HO*        G  23   6.164  11.351   8.080
  247    H1*    G  23           H1*        G  23   3.581  12.447   7.229
  248    H8     G  23           H8         G  23   4.406  14.952   4.419
  249    H1     G  23           H1         G  23   0.190  10.394   2.829
  250   1H2     G  23          1H2         G  23   0.032   8.908   4.453
  251   2H2     G  23          2H2         G  23   1.101   8.920   5.838
  252   1H5*    A  24          1H5*        A  24   8.665   9.046   5.551
  253   2H5*    A  24          2H5*        A  24   7.269  10.118   5.313
  254    H4*    A  24           H4*        A  24   6.989   7.993   7.414
  255    H3*    A  24           H3*        A  24   7.611   7.510   4.534
  256    H2*    A  24           H2*        A  24   5.665   6.415   3.997
  257   2HO*    A  24          2HO*        A  24   5.018   4.823   5.197
  258    H1*    A  24           H1*        A  24   3.918   7.374   5.969
  259    H8     A  24           H8         A  24   5.529  10.166   3.953
  260   1H6     A  24          1H6         A  24   1.539   8.984  -0.596
  261   2H6     A  24          2H6         A  24   2.693  10.131   0.045
  262    H2     A  24           H2         A  24   0.985   5.851   2.544
  263   1H5*    C  25          1H5*        C  25   7.314   3.563   6.063
  264   2H5*    C  25          2H5*        C  25   8.302   2.370   5.195
  265    H4*    C  25           H4*        C  25   5.712   2.300   4.818
  266    H3*    C  25           H3*        C  25   7.946   2.297   2.784
  267    H2*    C  25           H2*        C  25   6.501   2.543   0.992
  268   2HO*    C  25          2HO*        C  25   5.366   0.558   1.852
  269    H1*    C  25           H1*        C  25   4.270   3.655   2.387
  270   1H4     C  25          1H4         C  25   6.146   7.672  -2.207
  271   2H4     C  25          2H4         C  25   7.346   8.337  -1.124
  272    H5     C  25           H5         C  25   7.653   7.548   1.136
  273    H6     C  25           H6         C  25   7.076   5.788   2.740
  274   1H5*    U  26          1H5*        U  26   6.254   0.589  -0.003
  275   2H5*    U  26          2H5*        U  26   7.098  -0.958  -0.208
  276    H4*    U  26           H4*        U  26   7.539   0.234  -2.225
  277    H3*    U  26           H3*        U  26   9.668   0.037  -0.166
  278    H2*    U  26           H2*        U  26  10.884   1.862  -0.774
  279   2HO*    U  26          2HO*        U  26  10.203   1.337  -3.487
  280    H1*    U  26           H1*        U  26   9.073   3.088  -2.672
  281    H3     U  26           H3         U  26  10.572   6.842  -0.717
  282    H5     U  26           H5         U  26   9.306   4.514   2.559
  283    H6     U  26           H6         U  26   8.783   2.728   1.004
  284   1H5*    A  27          1H5*        A  27   8.949  -3.124  -3.054
  285   2H5*    A  27          2H5*        A  27  10.036  -4.464  -2.639
  286    H4*    A  27           H4*        A  27   9.525  -5.138  -4.787
  287    H3*    A  27           H3*        A  27  11.822  -3.223  -4.774
  288    H2*    A  27           H2*        A  27  11.741  -2.705  -7.041
  289   2HO*    A  27          2HO*        A  27  11.253  -4.147  -8.530
  290    H1*    A  27           H1*        A  27   9.085  -2.873  -7.560
  291    H8     A  27           H8         A  27  10.165  -1.026  -4.320
  292   1H6     A  27          1H6         A  27  11.054   3.929  -7.900
  293   2H6     A  27          2H6         A  27  10.927   3.346  -6.255
  294    H2     A  27           H2         A  27   9.906   0.498 -10.547
  295   1H5*    G  28          1H5*        G  28  13.230  -5.426  -8.134
  296   2H5*    G  28          2H5*        G  28  14.971  -5.084  -8.141
  297    H4*    G  28           H4*        G  28  13.348  -3.883  -9.881
  298    H3*    G  28           H3*        G  28  15.770  -2.992  -8.365
  299    H2*    G  28           H2*        G  28  15.472  -0.735  -8.743
  300   2HO*    G  28          2HO*        G  28  13.921  -1.447 -11.021
  301    H1*    G  28           H1*        G  28  12.703  -0.600  -9.076
  302    H8     G  28           H8         G  28  13.155  -2.119  -5.733
  303    H1     G  28           H1         G  28  15.347   3.905  -5.853
  304   1H2     G  28          1H2         G  28  15.407   4.644  -7.932
  305   2H2     G  28          2H2         G  28  15.102   3.601  -9.302
  306   1H5*    C  29          1H5*        C  29  15.451  -1.104 -12.393
  307   2H5*    C  29          2H5*        C  29  16.876  -1.681 -13.281
  308    H4*    C  29           H4*        C  29  16.611   0.622 -13.922
  309    H3*    C  29           H3*        C  29  18.756  -0.029 -11.927
  310    H2*    C  29           H2*        C  29  19.327   2.222 -11.619
  311   2HO*    C  29          2HO*        C  29  17.807   2.786 -13.960
  312    H1*    C  29           H1*        C  29  16.807   3.323 -11.667
  313   1H4     C  29          1H4         C  29  18.609   2.456  -5.576
  314   2H4     C  29          2H4         C  29  18.176   0.765  -5.680
  315    H5     C  29           H5         C  29  17.298  -0.247  -7.674
  316    H6     C  29           H6         C  29  16.742   0.109 -10.032
  317   1H5*    A  30          1H5*        A  30  21.292   1.330 -15.469
  318   2H5*    A  30          2H5*        A  30  22.925   0.701 -15.174
  319    H4*    A  30           H4*        A  30  22.470   3.273 -14.836
  320    H3*    A  30           H3*        A  30  24.017   1.288 -13.215
  321    H2*    A  30           H2*        A  30  24.227   2.644 -11.367
  322   2HO*    A  30          2HO*        A  30  25.017   4.564 -11.636
  323    H1*    A  30           H1*        A  30  22.035   4.430 -11.856
  324    H8     A  30           H8         A  30  20.850   0.925 -11.214
  325   1H6     A  30          1H6         A  30  21.332   2.227  -5.191
  326   2H6     A  30          2H6         A  30  20.598   1.174  -6.379
  327    H2     A  30           H2         A  30  23.313   5.528  -7.488
  328   1H5*    A  31          1H5*        A  31  27.099   0.249 -12.402
  329   2H5*    A  31          2H5*        A  31  25.582   1.124 -12.138
  330    H4*    A  31           H4*        A  31  27.776   2.696 -11.097
  331    H3*    A  31           H3*        A  31  28.427   0.013 -11.012
  332    H2*    A  31           H2*        A  31  26.670  -0.821  -9.750
  333   2HO*    A  31          2HO*        A  31  27.363  -1.116  -7.727
  334    H1*    A  31           H1*        A  31  26.366   1.582  -8.018
  335    H8     A  31           H8         A  31  24.285  -0.062 -10.873
  336   1H6     A  31          1H6         A  31  20.353  -1.669  -6.366
  337   2H6     A  31          2H6         A  31  20.591  -1.580  -8.097
  338    H2     A  31           H2         A  31  23.825   0.496  -4.509
  339   1H5*    A  32          1H5*        A  32  28.079   4.039  -9.925
  340   2H5*    A  32          2H5*        A  32  29.268   5.247 -10.442
  341    H4*    A  32           H4*        A  32  28.322   6.452  -8.724
  342    H3*    A  32           H3*        A  32  30.645   4.916  -7.882
  343    H2*    A  32           H2*        A  32  29.722   3.910  -6.038
  344   2HO*    A  32          2HO*        A  32  30.705   5.874  -5.140
  345    H1*    A  32           H1*        A  32  27.417   5.819  -5.862
  346    H8     A  32           H8         A  32  27.996   2.007  -6.599
  347   1H6     A  32          1H6         A  32  24.195   1.133  -1.794
  348   2H6     A  32          2H6         A  32  25.263   0.354  -2.941
  349    H2     A  32           H2         A  32  24.823   5.547  -2.295
  350   1H5*    C  33          1H5*        C  33  28.865   8.409  -8.373
  351   2H5*    C  33          2H5*        C  33  29.296   9.343  -9.819
  352    H4*    C  33           H4*        C  33  28.684  11.277  -8.795
  353    H3*    C  33           H3*        C  33  30.853  10.274  -7.028
  354    H2*    C  33           H2*        C  33  29.989  10.946  -5.035
  355   2HO*    C  33          2HO*        C  33  30.339  13.128  -5.609
  356    H1*    C  33           H1*        C  33  27.329  11.679  -5.816
  357   1H4     C  33          1H4         C  33  26.447   7.543  -1.076
  358   2H4     C  33          2H4         C  33  27.599   6.420  -1.762
  359    H5     C  33           H5         C  33  28.688   6.787  -3.882
  360    H6     C  33           H6         C  33  29.024   8.371  -5.716
  361   1H5*    G  34          1H5*        G  34  32.685  14.215  -6.215
  362   2H5*    G  34          2H5*        G  34  34.280  13.523  -5.863
  363    H4*    G  34           H4*        G  34  32.645  14.244  -3.881
  364    H3*    G  34           H3*        G  34  34.475  11.872  -4.235
  365    H2*    G  34           H2*        G  34  33.729  10.841  -2.311
  366   2HO*    G  34          2HO*        G  34  33.999  13.199  -1.302
  367    H1*    G  34           H1*        G  34  31.139  12.008  -2.179
  368    H8     G  34           H8         G  34  31.999   9.884  -5.268
  369    H1     G  34           H1         G  34  30.153   6.498  -0.131
  370   1H2     G  34          1H2         G  34  29.917   7.841   1.605
  371   2H2     G  34          2H2         G  34  30.307   9.545   1.535
  372   1H5*    G  35          1H5*        G  35  35.632  14.340  -0.129
  373   2H5*    G  35          2H5*        G  35  37.154  13.573   0.364
  374    H4*    G  35           H4*        G  35  35.039  13.585   1.999
  375    H3*    G  35           H3*        G  35  37.196  11.581   1.418
  376    H2*    G  35           H2*        G  35  36.132   9.800   2.389
  377   2HO*    G  35          2HO*        G  35  34.825   9.998   4.193
  378    H1*    G  35           H1*        G  35  33.441  10.675   2.290
  379    H8     G  35           H8         G  35  35.107  10.310  -1.110
  380    H1     G  35           H1         G  35  33.281   4.735   1.480
  381   1H2     G  35          1H2         G  35  32.695   5.034   3.583
  382   2H2     G  35          2H2         G  35  32.679   6.612   4.339
  383   1H5*    A  36          1H5*        A  36  36.840  12.289   6.459
  384   2H5*    A  36          2H5*        A  36  38.266  11.344   6.929
  385    H4*    A  36           H4*        A  36  35.871  10.791   7.961
  386    H3*    A  36           H3*        A  36  38.168   9.052   7.086
  387    H2*    A  36           H2*        A  36  36.949   7.049   7.324
  388   2HO*    A  36          2HO*        A  36  35.189   8.594   8.933
  389    H1*    A  36           H1*        A  36  34.505   7.876   6.459
  390    H8     A  36           H8         A  36  37.022   9.379   4.102
  391   1H6     A  36          1H6         A  36  37.554   3.834   1.450
  392   2H6     A  36          2H6         A  36  38.054   5.510   1.399
  393    H2     A  36           H2         A  36  35.213   3.334   5.246
  394   1H5*    G  37          1H5*        G  37  36.774   7.046  10.136
  395   2H5*    G  37          2H5*        G  37  37.994   6.433  11.271
  396    H4*    G  37           H4*        G  37  36.718   4.571  10.214
  397    H3*    G  37           H3*        G  37  39.657   5.039   9.791
  398    H2*    G  37           H2*        G  37  39.862   3.443   8.151
  399   2HO*    G  37          2HO*        G  37  39.117   1.766   9.549
  400    H1*    G  37           H1*        G  37  37.131   3.308   7.315
  401    H8     G  37           H8         G  37  38.602   6.664   6.501
  402    H1     G  37           H1         G  37  40.670   1.998   2.618
  403   1H2     G  37          1H2         G  37  40.085   0.031   3.440
  404   2H2     G  37          2H2         G  37  39.038  -0.123   4.832
  405   1H5*    G  38          1H5*        G  38  38.714   0.508  11.793
  406   2H5*    G  38          2H5*        G  38  40.353  -0.024  12.215
  407    H4*    G  38           H4*        G  38  38.783  -1.558  10.700
  408    H3*    G  38           H3*        G  38  41.717  -0.975  10.723
  409    H2*    G  38           H2*        G  38  42.162  -1.733   8.609
  410   2HO*    G  38          2HO*        G  38  41.524  -3.653   8.074
  411    H1*    G  38           H1*        G  38  39.633  -1.514   7.390
  412    H8     G  38           H8         G  38  40.786   1.838   8.639
  413    H1     G  38           H1         G  38  43.854  -0.043   3.334
  414   1H2     G  38          1H2         G  38  43.384  -2.154   2.896
  415   2H2     G  38          2H2         G  38  42.470  -3.155   4.002
  416   1H5*    C  39          1H5*        C  39  41.133  -5.530   9.571
  417   2H5*    C  39          2H5*        C  39  42.407  -6.282  10.550
  418    H4*    C  39           H4*        C  39  42.449  -7.003   8.131
  419    H3*    C  39           H3*        C  39  44.674  -5.627   9.604
  420    H2*    C  39           H2*        C  39  45.960  -5.247   7.735
  421   2HO*    C  39          2HO*        C  39  44.655  -7.493   6.575
  422    H1*    C  39           H1*        C  39  43.952  -5.300   5.736
  423   1H4     C  39          1H4         C  39  46.517   0.523   5.786
  424   2H4     C  39          2H4         C  39  45.808   0.860   7.347
  425    H5     C  39           H5         C  39  44.396  -0.715   8.516
  426    H6     C  39           H6         C  39  43.569  -3.018   8.554
  427   1H5*    C  40          1H5*        C  40  46.440  -8.719   6.767
  428   2H5*    C  40          2H5*        C  40  47.327  -9.776   7.884
  429    H4*    C  40           H4*        C  40  48.782  -9.372   5.996
  430    H3*    C  40           H3*        C  40  49.303  -7.990   8.601
  431    H2*    C  40           H2*        C  40  50.908  -6.564   7.805
  432   2HO*    C  40          2HO*        C  40  52.276  -8.205   7.044
  433    H1*    C  40           H1*        C  40  50.160  -6.467   5.073
  434   1H4     C  40          1H4         C  40  49.293  -0.654   7.551
  435   2H4     C  40          2H4         C  40  48.016  -1.251   8.584
  436    H5     C  40           H5         C  40  47.556  -3.592   8.866
  437    H6     C  40           H6         C  40  47.817  -5.798   7.855
  438    H3T    C  40           H3T        C  40  49.891 -10.138   8.381
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  53.744   7.138   2.297
    2   2H5*    G   1          2H5*        G   1  52.536   6.668   1.084
    3    H4*    G   1           H4*        G   1  54.584   5.246   0.902
    4    H3*    G   1           H3*        G   1  51.939   4.093   1.854
    5    H2*    G   1           H2*        G   1  52.914   1.946   2.078
    6   2HO*    G   1          2HO*        G   1  54.327   1.271   0.690
    7    H1*    G   1           H1*        G   1  55.414   2.754   2.930
    8    H8     G   1           H8         G   1  53.889   4.599   5.432
    9    H1     G   1           H1         G   1  51.480  -1.330   5.827
   10   1H2     G   1          1H2         G   1  51.929  -2.450   3.964
   11   2H2     G   1          2H2         G   1  52.638  -1.681   2.564
   12    H5T    G   1           H5T        G   1  52.486   5.530   3.659
   13   1H5*    G   2          1H5*        G   2  52.185   2.142  -2.382
   14   2H5*    G   2          2H5*        G   2  50.502   2.140  -2.947
   15    H4*    G   2           H4*        G   2  51.540  -0.174  -2.791
   16    H3*    G   2           H3*        G   2  49.124   0.746  -1.230
   17    H2*    G   2           H2*        G   2  48.846  -1.413  -0.285
   18   2HO*    G   2          2HO*        G   2  50.873  -2.296  -2.089
   19    H1*    G   2           H1*        G   2  51.479  -1.760   0.378
   20    H8     G   2           H8         G   2  51.105   1.843   0.950
   21    H1     G   2           H1         G   2  47.335  -1.413   4.981
   22   1H2     G   2          1H2         G   2  47.259  -3.541   4.393
   23   2H2     G   2          2H2         G   2  47.980  -4.126   2.911
   24   1H5*    C   3          1H5*        C   3  47.277  -2.112  -4.379
   25   2H5*    C   3          2H5*        C   3  45.538  -1.779  -4.495
   26    H4*    C   3           H4*        C   3  46.334  -4.029  -3.387
   27    H3*    C   3           H3*        C   3  44.211  -2.054  -2.607
   28    H2*    C   3           H2*        C   3  43.813  -2.986  -0.519
   29   2HO*    C   3          2HO*        C   3  43.461  -5.094  -1.125
   30    H1*    C   3           H1*        C   3  46.347  -3.895   0.123
   31   1H4     C   3          1H4         C   3  44.982   1.533   3.287
   32   2H4     C   3          2H4         C   3  45.873   2.415   2.068
   33    H5     C   3           H5         C   3  46.879   1.355   0.153
   34    H6     C   3           H6         C   3  47.088  -0.735  -1.104
   35   1H5*    C   4          1H5*        C   4  41.524  -5.633  -2.897
   36   2H5*    C   4          2H5*        C   4  39.892  -4.959  -3.072
   37    H4*    C   4           H4*        C   4  40.731  -5.953  -0.731
   38    H3*    C   4           H3*        C   4  38.985  -3.614  -1.470
   39    H2*    C   4           H2*        C   4  38.987  -2.698   0.641
   40   2HO*    C   4          2HO*        C   4  39.435  -5.351   1.542
   41    H1*    C   4           H1*        C   4  41.447  -3.734   1.613
   42   1H4     C   4          1H4         C   4  41.515   2.672   1.122
   43   2H4     C   4          2H4         C   4  42.507   2.470  -0.303
   44    H5     C   4           H5         C   4  42.858   0.329  -1.377
   45    H6     C   4           H6         C   4  42.332  -2.058  -1.297
   46   1H5*    U   5          1H5*        U   5  36.878  -5.689   2.252
   47   2H5*    U   5          2H5*        U   5  35.237  -5.773   1.584
   48    H4*    U   5           H4*        U   5  35.290  -4.816   3.905
   49    H3*    U   5           H3*        U   5  34.300  -3.383   1.457
   50    H2*    U   5           H2*        U   5  34.109  -1.329   2.473
   51   2HO*    U   5          2HO*        U   5  32.721  -1.719   4.083
   52    H1*    U   5           H1*        U   5  35.977  -1.639   4.582
   53    H3     U   5           H3         U   5  36.985   2.307   2.585
   54    H5     U   5           H5         U   5  38.125  -0.603  -0.241
   55    H6     U   5           H6         U   5  37.115  -2.287   1.184
   56   1H5*    C   6          1H5*        C   6  30.790  -3.441   4.911
   57   2H5*    C   6          2H5*        C   6  29.362  -2.885   4.018
   58    H4*    C   6           H4*        C   6  30.206  -1.565   6.177
   59    H3*    C   6           H3*        C   6  29.039  -0.693   3.553
   60    H2*    C   6           H2*        C   6  29.586   1.527   3.784
   61   2HO*    C   6          2HO*        C   6  29.330   2.572   5.613
   62    H1*    C   6           H1*        C   6  31.816   1.349   5.480
   63   1H4     C   6          1H4         C   6  33.669   3.458  -0.250
   64   2H4     C   6          2H4         C   6  33.452   1.866  -0.937
   65    H5     C   6           H5         C   6  32.755  -0.044   0.363
   66    H6     C   6           H6         C   6  31.896  -0.785   2.537
   67   1H5*    C   7          1H5*        C   7  27.544   1.941   6.908
   68   2H5*    C   7          2H5*        C   7  25.785   2.046   6.690
   69    H4*    C   7           H4*        C   7  26.736   4.294   7.079
   70    H3*    C   7           H3*        C   7  25.496   3.477   4.466
   71    H2*    C   7           H2*        C   7  26.159   5.359   3.324
   72   2HO*    C   7          2HO*        C   7  26.296   6.707   5.829
   73    H1*    C   7           H1*        C   7  28.407   6.115   4.875
   74   1H4     C   7          1H4         C   7  30.366   4.639  -1.009
   75   2H4     C   7          2H4         C   7  30.121   2.937  -0.689
   76    H5     C   7           H5         C   7  28.988   2.118   1.285
   77    H6     C   7           H6         C   7  28.116   2.731   3.485
   78   1H5*    A   8          1H5*        A   8  23.534   7.364   4.401
   79   2H5*    A   8          2H5*        A   8  22.097   6.948   3.447
   80    H4*    A   8           H4*        A   8  24.024   8.404   2.363
   81    H3*    A   8           H3*        A   8  22.182   6.316   1.362
   82    H2*    A   8           H2*        A   8  23.465   5.477  -0.322
   83   2HO*    A   8          2HO*        A   8  24.487   8.100  -0.748
   84    H1*    A   8           H1*        A   8  26.008   6.709   0.225
   85    H8     A   8           H8         A   8  24.449   3.926   2.409
   86   1H6     A   8          1H6         A   8  27.710  -0.005  -1.071
   87   2H6     A   8          2H6         A   8  26.784   0.181   0.401
   88    H2     A   8           H2         A   8  28.203   4.114  -2.782
   89   1H5*    G   9          1H5*        G   9  21.813  10.609  -0.774
   90   2H5*    G   9          2H5*        G   9  20.106  10.947  -1.126
   91    H4*    G   9           H4*        G   9  21.796  11.398  -3.035
   92    H3*    G   9           H3*        G   9  19.267   9.770  -3.088
   93    H2*    G   9           H2*        G   9  19.569   9.070  -5.294
   94   2HO*    G   9          2HO*        G   9  20.678  10.180  -6.771
   95    H1*    G   9           H1*        G   9  22.328   8.705  -5.225
   96    H8     G   9           H8         G   9  21.566   7.046  -2.112
   97    H1     G   9           H1         G   9  18.669   3.993  -6.953
   98   1H2     G   9          1H2         G   9  18.617   5.278  -8.742
   99   2H2     G   9          2H2         G   9  19.366   6.858  -8.785
  100   1H5*    C  10          1H5*        C  10  19.064  11.749  -6.580
  101   2H5*    C  10          2H5*        C  10  17.581  12.703  -6.787
  102    H4*    C  10           H4*        C  10  17.953  11.188  -8.721
  103    H3*    C  10           H3*        C  10  15.625  10.941  -6.835
  104    H2*    C  10           H2*        C  10  14.891   8.934  -7.686
  105   2HO*    C  10          2HO*        C  10  14.905   8.469  -9.798
  106    H1*    C  10           H1*        C  10  17.317   7.973  -8.808
  107   1H4     C  10          1H4         C  10  15.503   3.937  -4.226
  108   2H4     C  10          2H4         C  10  15.932   5.098  -2.992
  109    H5     C  10           H5         C  10  16.881   7.259  -3.496
  110    H6     C  10           H6         C  10  17.403   8.853  -5.281
  111   1H5*    G  11          1H5*        G  11  13.680  10.233 -10.602
  112   2H5*    G  11          2H5*        G  11  12.076  10.986 -10.485
  113    H4*    G  11           H4*        G  11  12.041   8.462 -10.806
  114    H3*    G  11           H3*        G  11  10.763  10.028  -8.582
  115    H2*    G  11           H2*        G  11  10.239   8.188  -7.309
  116   2HO*    G  11          2HO*        G  11   9.256   6.539  -8.175
  117    H1*    G  11           H1*        G  11  12.119   6.319  -8.367
  118    H8     G  11           H8         G  11  13.210   9.550  -6.523
  119    H1     G  11           H1         G  11  12.370   4.421  -2.766
  120   1H2     G  11          1H2         G  11  11.478   2.771  -3.925
  121   2H2     G  11          2H2         G  11  11.271   2.853  -5.660
  122   1H5*    A  12          1H5*        A  12   8.292   7.851 -12.010
  123   2H5*    A  12          2H5*        A  12   6.963   8.991 -12.312
  124    H4*    A  12           H4*        A  12   6.228   6.760 -12.981
  125    H3*    A  12           H3*        A  12   5.104   8.195 -10.624
  126    H2*    A  12           H2*        A  12   4.102   6.396  -9.606
  127   2HO*    A  12          2HO*        A  12   3.945   5.261 -12.209
  128    H1*    A  12           H1*        A  12   5.635   4.260 -10.570
  129    H8     A  12           H8         A  12   6.604   7.539  -8.642
  130   1H6     A  12          1H6         A  12   7.471   3.784  -3.814
  131   2H6     A  12          2H6         A  12   7.650   5.416  -4.416
  132    H2     A  12           H2         A  12   6.221   1.274  -7.313
  133   1H5*    C  13          1H5*        C  13   2.015  11.111 -11.082
  134   2H5*    C  13          2H5*        C  13   3.535  11.813 -10.490
  135    H4*    C  13           H4*        C  13   1.974   9.556  -9.150
  136    H3*    C  13           H3*        C  13   1.591  12.369  -9.141
  137    H2*    C  13           H2*        C  13   3.313  13.053  -7.784
  138   2HO*    C  13          2HO*        C  13   2.907  12.668  -5.533
  139    H1*    C  13           H1*        C  13   3.739  10.476  -6.357
  140   1H4     C  13          1H4         C  13   9.447  13.252  -5.992
  141   2H4     C  13          2H4         C  13   9.472  13.534  -7.719
  142    H5     C  13           H5         C  13   7.659  12.917  -9.181
  143    H6     C  13           H6         C  13   5.406  11.977  -9.299
  144   1H5*    G  14          1H5*        G  14   0.485   7.979 -10.230
  145   2H5*    G  14          2H5*        G  14  -1.183   7.789  -9.654
  146    H4*    G  14           H4*        G  14  -0.291   5.597  -9.523
  147    H3*    G  14           H3*        G  14  -0.434   7.180  -7.001
  148    H2*    G  14           H2*        G  14   0.988   5.880  -5.755
  149   2HO*    G  14          2HO*        G  14   1.099   3.665  -5.970
  150    H1*    G  14           H1*        G  14   2.483   4.605  -7.790
  151    H8     G  14           H8         G  14   3.296   8.092  -8.361
  152    H1     G  14           H1         G  14   5.514   6.213  -2.649
  153   1H2     G  14          1H2         G  14   4.618   4.272  -2.093
  154   2H2     G  14          2H2         G  14   3.341   3.528  -3.030
  155   1H5*    G  15          1H5*        G  15  -0.840   3.897  -5.048
  156   2H5*    G  15          2H5*        G  15  -2.537   3.682  -4.576
  157    H4*    G  15           H4*        G  15  -1.491   3.400  -2.512
  158    H3*    G  15           H3*        G  15  -2.281   6.250  -3.032
  159    H2*    G  15           H2*        G  15  -1.025   7.140  -1.321
  160   2HO*    G  15          2HO*        G  15  -1.464   4.640  -0.065
  161    H1*    G  15           H1*        G  15   0.905   5.069  -1.006
  162    H8     G  15           H8         G  15   3.068   6.468  -1.214
  163    H1     G  15           H1         G  15   0.484  10.388  -5.570
  164   1H2     G  15          1H2         G  15  -1.586   9.787  -6.005
  165   2H2     G  15          2H2         G  15  -2.317   8.358  -5.310
  166   1H5*    C  16          1H5*        C  16  -5.099   4.100   0.439
  167   2H5*    C  16          2H5*        C  16  -6.120   5.308   1.243
  168    H4*    C  16           H4*        C  16  -4.500   3.859   2.712
  169    H3*    C  16           H3*        C  16  -5.023   6.831   2.729
  170    H2*    C  16           H2*        C  16  -3.385   7.248   4.337
  171   2HO*    C  16          2HO*        C  16  -4.029   5.591   5.778
  172    H1*    C  16           H1*        C  16  -1.484   5.435   3.512
  173   1H4     C  16          1H4         C  16  -0.026  11.297   1.379
  174   2H4     C  16          2H4         C  16  -1.302  11.199   0.188
  175    H5     C  16           H5         C  16  -2.685   9.249  -0.114
  176    H6     C  16           H6         C  16  -3.246   7.049   0.763
  177   1H5*    C  17          1H5*        C  17  -6.437   6.293   7.234
  178   2H5*    C  17          2H5*        C  17  -7.327   7.826   7.274
  179    H4*    C  17           H4*        C  17  -5.115   7.475   8.738
  180    H3*    C  17           H3*        C  17  -6.070   9.879   7.149
  181    H2*    C  17           H2*        C  17  -4.207  11.104   7.806
  182   2HO*    C  17          2HO*        C  17  -3.026  10.675   9.602
  183    H1*    C  17           H1*        C  17  -2.363   9.004   7.755
  184   1H4     C  17          1H4         C  17  -1.627  12.888   2.722
  185   2H4     C  17          2H4         C  17  -2.870  12.013   1.861
  186    H5     C  17           H5         C  17  -4.029  10.114   2.794
  187    H6     C  17           H6         C  17  -4.404   8.800   4.821
  188   1H5*    U  18          1H5*        U  18  -4.535  12.236   9.982
  189   2H5*    U  18          2H5*        U  18  -5.818  13.411  10.325
  190    H4*    U  18           H4*        U  18  -3.767  14.404   9.217
  191    H3*    U  18           H3*        U  18  -6.597  14.491   8.253
  192    H2*    U  18           H2*        U  18  -6.074  15.399   6.196
  193   2HO*    U  18          2HO*        U  18  -3.895  16.591   7.549
  194    H1*    U  18           H1*        U  18  -3.321  14.563   6.050
  195    H3     U  18           H3         U  18  -5.022  13.400   1.995
  196    H5     U  18           H5         U  18  -7.107  10.965   4.731
  197    H6     U  18           H6         U  18  -6.034  12.175   6.529
  198   1H5*    U  19          1H5*        U  19  -7.596  19.410  10.140
  199   2H5*    U  19          2H5*        U  19  -8.156  19.702   8.482
  200    H4*    U  19           H4*        U  19  -6.878  21.652   9.096
  201    H3*    U  19           H3*        U  19  -6.183  19.970   6.970
  202    H2*    U  19           H2*        U  19  -4.194  19.061   7.754
  203   2HO*    U  19          2HO*        U  19  -3.483  21.739   7.132
  204    H1*    U  19           H1*        U  19  -3.471  21.375   9.505
  205    H3     U  19           H3         U  19  -1.051  18.990  12.446
  206    H5     U  19           H5         U  19  -3.042  16.026  10.214
  207    H6     U  19           H6         U  19  -4.188  17.769   9.021
  208   1H5*    C  20          1H5*        C  20  -4.102  20.056   5.216
  209   2H5*    C  20          2H5*        C  20  -3.987  21.605   4.357
  210    H4*    C  20           H4*        C  20  -3.485  20.065   2.653
  211    H3*    C  20           H3*        C  20  -5.848  21.473   2.464
  212    H2*    C  20           H2*        C  20  -7.288  19.804   3.235
  213   2HO*    C  20          2HO*        C  20  -6.928  19.106   0.487
  214    H1*    C  20           H1*        C  20  -5.824  17.589   1.838
  215   1H4     C  20          1H4         C  20  -8.897  14.081   6.127
  216   2H4     C  20          2H4         C  20  -9.097  15.444   7.205
  217    H5     C  20           H5         C  20  -8.122  17.611   6.763
  218    H6     C  20           H6         C  20  -6.889  18.956   5.141
  219   1H5*    G  21          1H5*        G  21  -1.111  20.940   0.886
  220   2H5*    G  21          2H5*        G  21  -1.624  20.015   2.305
  221    H4*    G  21           H4*        G  21  -0.748  22.943   2.342
  222    H3*    G  21           H3*        G  21   0.644  20.323   2.605
  223    H2*    G  21           H2*        G  21   1.381  20.592   4.752
  224   2HO*    G  21          2HO*        G  21   2.732  22.304   4.361
  225    H1*    G  21           H1*        G  21  -0.326  22.659   5.690
  226    H8     G  21           H8         G  21  -0.143  21.294   7.931
  227    H1     G  21           H1         G  21  -2.690  16.116   5.143
  228   1H2     G  21          1H2         G  21  -2.762  16.385   2.955
  229   2H2     G  21          2H2         G  21  -2.410  17.921   2.195
  230   1H5*    G  22          1H5*        G  22   5.295  20.072   3.098
  231   2H5*    G  22          2H5*        G  22   3.788  19.185   2.793
  232    H4*    G  22           H4*        G  22   4.759  20.236   5.493
  233    H3*    G  22           H3*        G  22   4.887  17.669   3.986
  234    H2*    G  22           H2*        G  22   3.785  16.339   5.527
  235   2HO*    G  22          2HO*        G  22   4.483  18.306   7.460
  236    H1*    G  22           H1*        G  22   2.004  18.102   6.643
  237    H8     G  22           H8         G  22   1.838  18.726   2.949
  238    H1     G  22           H1         G  22  -0.902  13.172   4.586
  239   1H2     G  22          1H2         G  22  -0.328  12.620   6.650
  240   2H2     G  22          2H2         G  22   0.556  13.708   7.696
  241   1H5*    G  23          1H5*        G  23   6.645  16.414   7.696
  242   2H5*    G  23          2H5*        G  23   8.185  15.604   7.347
  243    H4*    G  23           H4*        G  23   6.660  14.128   8.645
  244    H3*    G  23           H3*        G  23   7.618  13.554   5.861
  245    H2*    G  23           H2*        G  23   6.151  11.834   5.455
  246   2HO*    G  23          2HO*        G  23   7.043  10.808   7.473
  247    H1*    G  23           H1*        G  23   4.130  12.429   7.369
  248    H8     G  23           H8         G  23   4.821  15.006   4.599
  249    H1     G  23           H1         G  23   0.638  10.416   3.018
  250   1H2     G  23          1H2         G  23   0.559   8.883   4.605
  251   2H2     G  23          2H2         G  23   1.670   8.880   5.956
  252   1H5*    A  24          1H5*        A  24   9.159   9.003   5.389
  253   2H5*    A  24          2H5*        A  24   7.775  10.100   5.202
  254    H4*    A  24           H4*        A  24   7.520   7.931   7.265
  255    H3*    A  24           H3*        A  24   8.021   7.521   4.349
  256    H2*    A  24           H2*        A  24   6.035   6.464   3.867
  257   2HO*    A  24          2HO*        A  24   5.438   4.850   5.057
  258    H1*    A  24           H1*        A  24   4.383   7.422   5.916
  259    H8     A  24           H8         A  24   5.937  10.271   3.968
  260   1H6     A  24          1H6         A  24   1.925   9.208  -0.592
  261   2H6     A  24          2H6         A  24   3.072  10.344   0.082
  262    H2     A  24           H2         A  24   1.443   5.950   2.432
  263   1H5*    C  25          1H5*        C  25   7.817   3.517   5.802
  264   2H5*    C  25          2H5*        C  25   8.713   2.344   4.813
  265    H4*    C  25           H4*        C  25   6.086   2.394   4.621
  266    H3*    C  25           H3*        C  25   8.209   2.295   2.479
  267    H2*    C  25           H2*        C  25   6.715   2.680   0.757
  268   2HO*    C  25          2HO*        C  25   4.661   1.860   0.749
  269    H1*    C  25           H1*        C  25   4.604   3.883   2.260
  270   1H4     C  25          1H4         C  25   6.529   7.929  -2.286
  271   2H4     C  25          2H4         C  25   7.732   8.559  -1.186
  272    H5     C  25           H5         C  25   8.037   7.710   1.052
  273    H6     C  25           H6         C  25   7.447   5.916   2.612
  274   1H5*    U  26          1H5*        U  26   6.115   0.776  -0.311
  275   2H5*    U  26          2H5*        U  26   6.807  -0.842  -0.541
  276    H4*    U  26           H4*        U  26   7.266   0.255  -2.595
  277    H3*    U  26           H3*        U  26   9.451  -0.021  -0.614
  278    H2*    U  26           H2*        U  26  10.746   1.730  -1.274
  279   2HO*    U  26          2HO*        U  26  11.386   0.727  -3.151
  280    H1*    U  26           H1*        U  26   8.965   3.054  -3.124
  281    H3     U  26           H3         U  26  10.334   6.846  -1.185
  282    H5     U  26           H5         U  26   9.754   4.292   2.116
  283    H6     U  26           H6         U  26   9.086   2.551   0.566
  284   1H5*    A  27          1H5*        A  27   8.552  -3.278  -3.531
  285   2H5*    A  27          2H5*        A  27   9.670  -4.593  -3.112
  286    H4*    A  27           H4*        A  27   9.162  -5.287  -5.258
  287    H3*    A  27           H3*        A  27  11.429  -3.337  -5.250
  288    H2*    A  27           H2*        A  27  11.338  -2.814  -7.514
  289   2HO*    A  27          2HO*        A  27   9.958  -5.283  -7.826
  290    H1*    A  27           H1*        A  27   8.682  -3.027  -8.035
  291    H8     A  27           H8         A  27   9.726  -1.170  -4.790
  292   1H6     A  27          1H6         A  27  10.564   3.804  -8.354
  293   2H6     A  27          2H6         A  27  10.441   3.215  -6.712
  294    H2     A  27           H2         A  27   9.468   0.365 -11.013
  295   1H5*    G  28          1H5*        G  28  12.902  -5.458  -8.598
  296   2H5*    G  28          2H5*        G  28  14.638  -5.092  -8.578
  297    H4*    G  28           H4*        G  28  13.010  -3.870 -10.303
  298    H3*    G  28           H3*        G  28  15.414  -2.987  -8.753
  299    H2*    G  28           H2*        G  28  15.094  -0.727  -9.088
  300   2HO*    G  28          2HO*        G  28  13.562  -1.399 -11.390
  301    H1*    G  28           H1*        G  28  12.321  -0.622  -9.446
  302    H8     G  28           H8         G  28  12.721  -2.164  -6.121
  303    H1     G  28           H1         G  28  14.951   3.847  -6.140
  304   1H2     G  28          1H2         G  28  15.059   4.604  -8.212
  305   2H2     G  28          2H2         G  28  14.763   3.578  -9.597
  306   1H5*    C  29          1H5*        C  29  15.123  -1.057 -12.772
  307   2H5*    C  29          2H5*        C  29  16.568  -1.601 -13.648
  308    H4*    C  29           H4*        C  29  16.261   0.711 -14.257
  309    H3*    C  29           H3*        C  29  18.419   0.053 -12.277
  310    H2*    C  29           H2*        C  29  18.961   2.305 -11.928
  311   2HO*    C  29          2HO*        C  29  19.065   2.980 -14.065
  312    H1*    C  29           H1*        C  29  16.428   3.375 -11.955
  313   1H4     C  29          1H4         C  29  18.239   2.422  -5.878
  314   2H4     C  29          2H4         C  29  17.805   0.732  -6.007
  315    H5     C  29           H5         C  29  16.930  -0.249  -8.018
  316    H6     C  29           H6         C  29  16.381   0.139 -10.372
  317   1H5*    A  30          1H5*        A  30  20.953   1.497 -15.808
  318   2H5*    A  30          2H5*        A  30  22.591   0.884 -15.504
  319    H4*    A  30           H4*        A  30  22.093   3.451 -15.151
  320    H3*    A  30           H3*        A  30  23.679   1.475 -13.559
  321    H2*    A  30           H2*        A  30  23.862   2.800 -11.687
  322   2HO*    A  30          2HO*        A  30  23.643   5.033 -13.441
  323    H1*    A  30           H1*        A  30  21.644   4.559 -12.141
  324    H8     A  30           H8         A  30  20.511   1.024 -11.576
  325   1H6     A  30          1H6         A  30  20.965   2.206  -5.526
  326   2H6     A  30          2H6         A  30  20.251   1.166  -6.738
  327    H2     A  30           H2         A  30  22.901   5.583  -7.749
  328   1H5*    A  31          1H5*        A  31  26.790   0.482 -12.777
  329   2H5*    A  31          2H5*        A  31  25.258   1.320 -12.488
  330    H4*    A  31           H4*        A  31  27.433   2.910 -11.427
  331    H3*    A  31           H3*        A  31  28.117   0.233 -11.391
  332    H2*    A  31           H2*        A  31  26.380  -0.643 -10.133
  333   2HO*    A  31          2HO*        A  31  26.912  -0.534  -7.856
  334    H1*    A  31           H1*        A  31  26.050   1.729  -8.364
  335    H8     A  31           H8         A  31  23.979   0.098 -11.235
  336   1H6     A  31          1H6         A  31  20.033  -1.523  -6.744
  337   2H6     A  31          2H6         A  31  20.389  -1.636  -8.453
  338    H2     A  31           H2         A  31  23.544   0.551  -4.861
  339   1H5*    A  32          1H5*        A  32  27.747   4.247 -10.239
  340   2H5*    A  32          2H5*        A  32  28.926   5.477 -10.724
  341    H4*    A  32           H4*        A  32  27.972   6.627  -8.973
  342    H3*    A  32           H3*        A  32  30.313   5.089  -8.178
  343    H2*    A  32           H2*        A  32  29.405   4.039  -6.350
  344   2HO*    A  32          2HO*        A  32  30.373   5.996  -5.418
  345    H1*    A  32           H1*        A  32  27.084   5.926  -6.133
  346    H8     A  32           H8         A  32  27.695   2.133  -6.933
  347   1H6     A  32          1H6         A  32  23.904   1.149  -2.141
  348   2H6     A  32          2H6         A  32  24.979   0.398  -3.298
  349    H2     A  32           H2         A  32  24.497   5.576  -2.570
  350   1H5*    C  33          1H5*        C  33  28.505   8.602  -8.582
  351   2H5*    C  33          2H5*        C  33  28.933   9.600  -9.986
  352    H4*    C  33           H4*        C  33  28.315  11.483  -8.875
  353    H3*    C  33           H3*        C  33  30.490  10.410  -7.151
  354    H2*    C  33           H2*        C  33  29.637  11.042  -5.138
  355   2HO*    C  33          2HO*        C  33  29.971  13.239  -5.659
  356    H1*    C  33           H1*        C  33  26.968  11.772  -5.896
  357   1H4     C  33          1H4         C  33  26.122   7.495  -1.279
  358   2H4     C  33          2H4         C  33  27.287   6.404  -1.995
  359    H5     C  33           H5         C  33  28.380   6.844  -4.097
  360    H6     C  33           H6         C  33  28.699   8.481  -5.887
  361   1H5*    G  34          1H5*        G  34  32.337  14.314  -6.251
  362   2H5*    G  34          2H5*        G  34  33.932  13.615  -5.909
  363    H4*    G  34           H4*        G  34  32.289  14.288  -3.917
  364    H3*    G  34           H3*        G  34  34.117  11.917  -4.315
  365    H2*    G  34           H2*        G  34  33.376  10.870  -2.393
  366   2HO*    G  34          2HO*        G  34  32.755  13.492  -1.514
  367    H1*    G  34           H1*        G  34  30.776  12.010  -2.270
  368    H8     G  34           H8         G  34  31.648   9.973  -5.408
  369    H1     G  34           H1         G  34  29.857   6.433  -0.356
  370   1H2     G  34          1H2         G  34  29.580   7.735   1.408
  371   2H2     G  34          2H2         G  34  30.020   9.428   1.398
  372   1H5*    G  35          1H5*        G  35  35.308  14.253  -0.228
  373   2H5*    G  35          2H5*        G  35  36.852  13.517   0.243
  374    H4*    G  35           H4*        G  35  34.743  13.407   1.875
  375    H3*    G  35           H3*        G  35  36.934  11.462   1.208
  376    H2*    G  35           H2*        G  35  35.906   9.646   2.159
  377   2HO*    G  35          2HO*        G  35  34.650  11.524   3.885
  378    H1*    G  35           H1*        G  35  33.203  10.518   2.116
  379    H8     G  35           H8         G  35  34.813  10.158  -1.313
  380    H1     G  35           H1         G  35  33.006   4.584   1.291
  381   1H2     G  35          1H2         G  35  32.351   4.899   3.374
  382   2H2     G  35          2H2         G  35  32.542   6.436   4.189
  383   1H5*    A  36          1H5*        A  36  36.654  12.126   6.230
  384   2H5*    A  36          2H5*        A  36  38.091  11.201   6.706
  385    H4*    A  36           H4*        A  36  35.706  10.624   7.743
  386    H3*    A  36           H3*        A  36  38.011   8.901   6.852
  387    H2*    A  36           H2*        A  36  36.811   6.893   7.122
  388   2HO*    A  36          2HO*        A  36  35.332   8.442   8.921
  389    H1*    A  36           H1*        A  36  34.353   7.699   6.267
  390    H8     A  36           H8         A  36  36.835   9.189   3.865
  391   1H6     A  36          1H6         A  36  37.579   3.577   1.413
  392   2H6     A  36          2H6         A  36  37.802   5.295   1.171
  393    H2     A  36           H2         A  36  35.107   3.145   5.136
  394   1H5*    G  37          1H5*        G  37  36.701   6.980   9.871
  395   2H5*    G  37          2H5*        G  37  37.872   6.415  11.078
  396    H4*    G  37           H4*        G  37  36.677   4.495  10.078
  397    H3*    G  37           H3*        G  37  39.609   4.994   9.614
  398    H2*    G  37           H2*        G  37  39.818   3.337   8.035
  399   2HO*    G  37          2HO*        G  37  37.903   2.066   9.632
  400    H1*    G  37           H1*        G  37  37.075   3.134   7.241
  401    H8     G  37           H8         G  37  38.471   6.469   6.256
  402    H1     G  37           H1         G  37  40.566   1.673   2.550
  403   1H2     G  37          1H2         G  37  40.045  -0.266   3.476
  404   2H2     G  37          2H2         G  37  39.034  -0.379   4.899
  405   1H5*    G  38          1H5*        G  38  38.605   0.639  11.720
  406   2H5*    G  38          2H5*        G  38  40.182   0.085  12.313
  407    H4*    G  38           H4*        G  38  38.737  -1.535  10.820
  408    H3*    G  38           H3*        G  38  41.658  -0.907  10.888
  409    H2*    G  38           H2*        G  38  42.183  -1.798   8.838
  410   2HO*    G  38          2HO*        G  38  41.571  -3.753   8.435
  411    H1*    G  38           H1*        G  38  39.714  -1.632   7.510
  412    H8     G  38           H8         G  38  40.841   1.746   8.784
  413    H1     G  38           H1         G  38  43.944  -0.147   3.506
  414   1H2     G  38          1H2         G  38  43.450  -2.250   3.050
  415   2H2     G  38          2H2         G  38  42.515  -3.245   4.142
  416   1H5*    C  39          1H5*        C  39  41.168  -5.192   9.854
  417   2H5*    C  39          2H5*        C  39  42.071  -6.101  11.082
  418    H4*    C  39           H4*        C  39  42.616  -7.055   8.912
  419    H3*    C  39           H3*        C  39  44.627  -5.380  10.381
  420    H2*    C  39           H2*        C  39  46.114  -5.244   8.629
  421   2HO*    C  39          2HO*        C  39  44.982  -7.681   7.690
  422    H1*    C  39           H1*        C  39  44.344  -5.651   6.456
  423   1H4     C  39          1H4         C  39  46.675   0.245   5.915
  424   2H4     C  39          2H4         C  39  45.934   0.725   7.423
  425    H5     C  39           H5         C  39  44.558  -0.751   8.741
  426    H6     C  39           H6         C  39  43.743  -3.049   8.987
  427   1H5*    C  40          1H5*        C  40  48.497  -6.241  12.126
  428   2H5*    C  40          2H5*        C  40  46.959  -5.961  12.964
  429    H4*    C  40           H4*        C  40  47.793  -3.784  12.944
  430    H3*    C  40           H3*        C  40  46.221  -4.374  10.449
  431    H2*    C  40           H2*        C  40  46.931  -2.507   9.328
  432   2HO*    C  40          2HO*        C  40  46.304  -0.813  10.437
  433    H1*    C  40           H1*        C  40  49.306  -1.971  10.805
  434   1H4     C  40          1H4         C  40  51.246  -2.977   4.838
  435   2H4     C  40          2H4         C  40  50.226  -4.387   4.680
  436    H5     C  40           H5         C  40  48.893  -5.253   6.488
  437    H6     C  40           H6         C  40  48.138  -4.880   8.781
  438    H3T    C  40           H3T        C  40  45.940  -2.492  12.569
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  54.002   6.947   1.755
    2   2H5*    G   1          2H5*        G   1  52.778   6.433   0.577
    3    H4*    G   1           H4*        G   1  54.834   5.026   0.394
    4    H3*    G   1           H3*        G   1  52.215   3.880   1.421
    5    H2*    G   1           H2*        G   1  53.207   1.750   1.709
    6   2HO*    G   1          2HO*        G   1  54.611   1.031   0.331
    7    H1*    G   1           H1*        G   1  55.718   2.596   2.488
    8    H8     G   1           H8         G   1  54.210   4.525   4.945
    9    H1     G   1           H1         G   1  51.901  -1.418   5.610
   10   1H2     G   1          1H2         G   1  52.337  -2.605   3.786
   11   2H2     G   1          2H2         G   1  53.010  -1.882   2.344
   12    H5T    G   1           H5T        G   1  51.534   5.728   2.141
   13   1H5*    G   2          1H5*        G   2  52.482   1.824  -2.755
   14   2H5*    G   2          2H5*        G   2  50.810   1.799  -3.351
   15    H4*    G   2           H4*        G   2  51.828  -0.504  -3.155
   16    H3*    G   2           H3*        G   2  49.440   0.434  -1.561
   17    H2*    G   2           H2*        G   2  49.191  -1.703  -0.566
   18   2HO*    G   2          2HO*        G   2  51.217  -2.646  -2.336
   19    H1*    G   2           H1*        G   2  51.839  -2.030   0.051
   20    H8     G   2           H8         G   2  51.464   1.586   0.542
   21    H1     G   2           H1         G   2  47.806  -1.580   4.745
   22   1H2     G   2          1H2         G   2  47.727  -3.721   4.215
   23   2H2     G   2          2H2         G   2  48.408  -4.342   2.728
   24   1H5*    C   3          1H5*        C   3  47.704  -2.522  -4.594
   25   2H5*    C   3          2H5*        C   3  45.964  -2.264  -4.829
   26    H4*    C   3           H4*        C   3  46.700  -4.446  -3.621
   27    H3*    C   3           H3*        C   3  44.602  -2.429  -2.872
   28    H2*    C   3           H2*        C   3  44.175  -3.358  -0.785
   29   2HO*    C   3          2HO*        C   3  45.450  -5.728  -1.712
   30    H1*    C   3           H1*        C   3  46.706  -4.262  -0.125
   31   1H4     C   3          1H4         C   3  45.357   1.202   2.985
   32   2H4     C   3          2H4         C   3  46.213   2.076   1.736
   33    H5     C   3           H5         C   3  47.204   0.998  -0.175
   34    H6     C   3           H6         C   3  47.413  -1.105  -1.409
   35   1H5*    C   4          1H5*        C   4  41.993  -5.919  -2.910
   36   2H5*    C   4          2H5*        C   4  40.333  -5.314  -3.079
   37    H4*    C   4           H4*        C   4  41.281  -6.091  -0.700
   38    H3*    C   4           H3*        C   4  39.454  -3.846  -1.543
   39    H2*    C   4           H2*        C   4  39.505  -2.810   0.506
   40   2HO*    C   4          2HO*        C   4  39.962  -5.407   1.557
   41    H1*    C   4           H1*        C   4  41.983  -3.874   1.486
   42   1H4     C   4          1H4         C   4  42.199   2.522   1.233
   43   2H4     C   4          2H4         C   4  42.933   2.390  -0.347
   44    H5     C   4           H5         C   4  43.389   0.255  -1.402
   45    H6     C   4           H6         C   4  42.859  -2.132  -1.374
   46   1H5*    U   5          1H5*        U   5  37.553  -5.766   2.206
   47   2H5*    U   5          2H5*        U   5  35.894  -6.049   1.645
   48    H4*    U   5           H4*        U   5  35.883  -4.976   3.874
   49    H3*    U   5           H3*        U   5  34.859  -3.615   1.397
   50    H2*    U   5           H2*        U   5  34.614  -1.548   2.381
   51   2HO*    U   5          2HO*        U   5  34.013  -3.100   4.624
   52    H1*    U   5           H1*        U   5  36.482  -1.787   4.502
   53    H3     U   5           H3         U   5  37.424   2.165   2.504
   54    H5     U   5           H5         U   5  38.568  -0.719  -0.347
   55    H6     U   5           H6         U   5  37.604  -2.423   1.089
   56   1H5*    C   6          1H5*        C   6  31.461  -3.671   4.909
   57   2H5*    C   6          2H5*        C   6  29.974  -3.210   4.057
   58    H4*    C   6           H4*        C   6  30.829  -1.792   6.146
   59    H3*    C   6           H3*        C   6  29.538  -1.043   3.542
   60    H2*    C   6           H2*        C   6  29.985   1.203   3.710
   61   2HO*    C   6          2HO*        C   6  30.018   0.789   6.522
   62    H1*    C   6           H1*        C   6  32.246   1.155   5.400
   63   1H4     C   6          1H4         C   6  33.957   3.442  -0.297
   64   2H4     C   6          2H4         C   6  33.769   1.865  -1.024
   65    H5     C   6           H5         C   6  33.146  -0.100   0.235
   66    H6     C   6           H6         C   6  32.346  -0.921   2.404
   67   1H5*    C   7          1H5*        C   7  27.866   1.471   6.945
   68   2H5*    C   7          2H5*        C   7  26.112   1.545   6.688
   69    H4*    C   7           H4*        C   7  27.064   3.806   7.110
   70    H3*    C   7           H3*        C   7  25.770   2.988   4.522
   71    H2*    C   7           H2*        C   7  26.382   4.887   3.379
   72   2HO*    C   7          2HO*        C   7  26.487   6.196   5.905
   73    H1*    C   7           H1*        C   7  28.646   5.670   4.904
   74   1H4     C   7          1H4         C   7  30.651   4.341  -0.986
   75   2H4     C   7          2H4         C   7  30.181   2.665  -0.818
   76    H5     C   7           H5         C   7  29.198   1.768   1.201
   77    H6     C   7           H6         C   7  28.362   2.312   3.433
   78   1H5*    A   8          1H5*        A   8  23.764   6.900   4.669
   79   2H5*    A   8          2H5*        A   8  22.309   6.530   3.725
   80    H4*    A   8           H4*        A   8  24.218   8.062   2.694
   81    H3*    A   8           H3*        A   8  22.347   6.037   1.598
   82    H2*    A   8           H2*        A   8  23.584   5.359  -0.190
   83   2HO*    A   8          2HO*        A   8  24.548   8.029  -0.415
   84    H1*    A   8           H1*        A   8  26.131   6.574   0.402
   85    H8     A   8           H8         A   8  24.603   3.563   2.295
   86   1H6     A   8          1H6         A   8  27.985   0.061  -1.513
   87   2H6     A   8          2H6         A   8  27.018   0.078  -0.055
   88    H2     A   8           H2         A   8  28.409   4.336  -2.801
   89   1H5*    G   9          1H5*        G   9  21.716  10.512  -0.210
   90   2H5*    G   9          2H5*        G   9  19.988  10.718  -0.562
   91    H4*    G   9           H4*        G   9  21.700  11.372  -2.425
   92    H3*    G   9           H3*        G   9  19.210   9.690  -2.574
   93    H2*    G   9           H2*        G   9  19.526   9.127  -4.818
   94   2HO*    G   9          2HO*        G   9  21.425  11.249  -4.917
   95    H1*    G   9           H1*        G   9  22.291   8.809  -4.765
   96    H8     G   9           H8         G   9  21.599   6.968  -1.751
   97    H1     G   9           H1         G   9  18.644   4.154  -6.703
   98   1H2     G   9          1H2         G   9  18.618   5.508  -8.441
   99   2H2     G   9          2H2         G   9  19.170   7.164  -8.345
  100   1H5*    C  10          1H5*        C  10  18.917  11.958  -5.899
  101   2H5*    C  10          2H5*        C  10  17.416  12.897  -6.023
  102    H4*    C  10           H4*        C  10  17.809  11.551  -8.076
  103    H3*    C  10           H3*        C  10  15.492  11.116  -6.208
  104    H2*    C  10           H2*        C  10  14.780   9.172  -7.216
  105   2HO*    C  10          2HO*        C  10  16.008  10.205  -9.559
  106    H1*    C  10           H1*        C  10  17.213   8.292  -8.359
  107   1H4     C  10          1H4         C  10  15.454   4.080  -3.914
  108   2H4     C  10          2H4         C  10  15.874   5.201  -2.641
  109    H5     C  10           H5         C  10  16.801   7.387  -3.071
  110    H6     C  10           H6         C  10  17.301   9.049  -4.801
  111   1H5*    G  11          1H5*        G  11  13.550  10.653 -10.002
  112   2H5*    G  11          2H5*        G  11  11.938  11.377  -9.839
  113    H4*    G  11           H4*        G  11  11.934   8.879 -10.331
  114    H3*    G  11           H3*        G  11  10.621  10.288  -8.029
  115    H2*    G  11           H2*        G  11  10.122   8.377  -6.854
  116   2HO*    G  11          2HO*        G  11   8.892   7.573  -8.681
  117    H1*    G  11           H1*        G  11  12.040   6.593  -7.975
  118    H8     G  11           H8         G  11  13.100   9.775  -6.037
  119    H1     G  11           H1         G  11  12.323   4.529  -2.432
  120   1H2     G  11          1H2         G  11  11.435   2.908  -3.634
  121   2H2     G  11          2H2         G  11  11.217   3.040  -5.364
  122   1H5*    A  12          1H5*        A  12   8.290   8.274 -11.508
  123   2H5*    A  12          2H5*        A  12   6.938   9.354 -11.909
  124    H4*    A  12           H4*        A  12   6.302   7.113 -12.592
  125    H3*    A  12           H3*        A  12   5.043   8.451 -10.242
  126    H2*    A  12           H2*        A  12   4.092   6.583  -9.298
  127   2HO*    A  12          2HO*        A  12   2.892   6.088 -11.188
  128    H1*    A  12           H1*        A  12   5.759   4.547 -10.257
  129    H8     A  12           H8         A  12   6.545   7.815  -8.232
  130   1H6     A  12          1H6         A  12   7.288   4.003  -3.429
  131   2H6     A  12          2H6         A  12   7.452   5.649  -3.998
  132    H2     A  12           H2         A  12   6.259   1.521  -7.020
  133   1H5*    C  13          1H5*        C  13   1.719  11.157 -10.736
  134   2H5*    C  13          2H5*        C  13   3.164  11.968 -10.100
  135    H4*    C  13           H4*        C  13   1.714   9.604  -8.823
  136    H3*    C  13           H3*        C  13   1.235  12.403  -8.760
  137    H2*    C  13           H2*        C  13   2.906  13.116  -7.356
  138   2HO*    C  13          2HO*        C  13   2.500  12.513  -5.093
  139    H1*    C  13           H1*        C  13   3.416  10.521  -5.992
  140   1H4     C  13          1H4         C  13   8.983  13.557  -5.489
  141   2H4     C  13          2H4         C  13   9.059  13.791  -7.221
  142    H5     C  13           H5         C  13   7.263  13.186  -8.711
  143    H6     C  13           H6         C  13   5.051  12.161  -8.877
  144   1H5*    G  14          1H5*        G  14   0.404   8.034  -9.926
  145   2H5*    G  14          2H5*        G  14  -1.296   7.760  -9.497
  146    H4*    G  14           H4*        G  14  -0.401   5.598  -9.330
  147    H3*    G  14           H3*        G  14  -0.606   7.121  -6.777
  148    H2*    G  14           H2*        G  14   0.829   5.828  -5.537
  149   2HO*    G  14          2HO*        G  14   0.991   3.624  -5.788
  150    H1*    G  14           H1*        G  14   2.393   4.637  -7.564
  151    H8     G  14           H8         G  14   3.101   8.155  -8.090
  152    H1     G  14           H1         G  14   5.299   6.288  -2.367
  153   1H2     G  14          1H2         G  14   4.456   4.317  -1.840
  154   2H2     G  14          2H2         G  14   3.210   3.546  -2.796
  155   1H5*    G  15          1H5*        G  15  -0.934   3.850  -4.917
  156   2H5*    G  15          2H5*        G  15  -2.627   3.522  -4.496
  157    H4*    G  15           H4*        G  15  -1.648   3.240  -2.407
  158    H3*    G  15           H3*        G  15  -2.501   6.079  -2.883
  159    H2*    G  15           H2*        G  15  -1.300   6.971  -1.138
  160   2HO*    G  15          2HO*        G  15  -1.021   5.929   0.788
  161    H1*    G  15           H1*        G  15   0.670   4.942  -0.807
  162    H8     G  15           H8         G  15   2.798   6.398  -0.935
  163    H1     G  15           H1         G  15   0.221  10.333  -5.279
  164   1H2     G  15          1H2         G  15  -1.834   9.703  -5.751
  165   2H2     G  15          2H2         G  15  -2.512   8.203  -5.160
  166   1H5*    C  16          1H5*        C  16  -5.321   3.839   0.506
  167   2H5*    C  16          2H5*        C  16  -6.452   5.005   1.220
  168    H4*    C  16           H4*        C  16  -4.837   3.756   2.833
  169    H3*    C  16           H3*        C  16  -5.424   6.709   2.627
  170    H2*    C  16           H2*        C  16  -3.852   7.272   4.257
  171   2HO*    C  16          2HO*        C  16  -4.479   5.735   5.806
  172    H1*    C  16           H1*        C  16  -1.887   5.455   3.617
  173   1H4     C  16          1H4         C  16  -0.532  11.225   1.184
  174   2H4     C  16          2H4         C  16  -1.626  10.934  -0.147
  175    H5     C  16           H5         C  16  -3.117   9.037  -0.238
  176    H6     C  16           H6         C  16  -3.662   6.886   0.763
  177   1H5*    C  17          1H5*        C  17  -6.856   6.413   7.089
  178   2H5*    C  17          2H5*        C  17  -7.756   7.941   7.092
  179    H4*    C  17           H4*        C  17  -5.499   7.665   8.502
  180    H3*    C  17           H3*        C  17  -6.515   9.998   6.844
  181    H2*    C  17           H2*        C  17  -4.646  11.258   7.414
  182   2HO*    C  17          2HO*        C  17  -4.216   9.365   9.501
  183    H1*    C  17           H1*        C  17  -2.792   9.164   7.398
  184   1H4     C  17          1H4         C  17  -2.175  12.881   2.225
  185   2H4     C  17          2H4         C  17  -3.430  11.972   1.418
  186    H5     C  17           H5         C  17  -4.563  10.103   2.439
  187    H6     C  17           H6         C  17  -4.892   8.856   4.515
  188   1H5*    U  18          1H5*        U  18  -4.936  12.419   9.512
  189   2H5*    U  18          2H5*        U  18  -6.190  13.617   9.882
  190    H4*    U  18           H4*        U  18  -4.190  14.580   8.679
  191    H3*    U  18           H3*        U  18  -7.042  14.625   7.774
  192    H2*    U  18           H2*        U  18  -6.564  15.470   5.680
  193   2HO*    U  18          2HO*        U  18  -5.192  17.072   5.367
  194    H1*    U  18           H1*        U  18  -3.811  14.641   5.504
  195    H3     U  18           H3         U  18  -5.586  13.356   1.520
  196    H5     U  18           H5         U  18  -7.610  10.995   4.367
  197    H6     U  18           H6         U  18  -6.507  12.260   6.107
  198   1H5*    U  19          1H5*        U  19  -8.026  19.553   9.625
  199   2H5*    U  19          2H5*        U  19  -8.660  19.830   7.991
  200    H4*    U  19           H4*        U  19  -7.367  21.788   8.504
  201    H3*    U  19           H3*        U  19  -6.712  20.055   6.407
  202    H2*    U  19           H2*        U  19  -4.695  19.180   7.161
  203   2HO*    U  19          2HO*        U  19  -4.049  21.841   6.430
  204    H1*    U  19           H1*        U  19  -3.946  21.534   8.845
  205    H3     U  19           H3         U  19  -1.465  19.221  11.794
  206    H5     U  19           H5         U  19  -3.482  16.205   9.659
  207    H6     U  19           H6         U  19  -4.659  17.917   8.453
  208   1H5*    C  20          1H5*        C  20  -4.652  20.120   4.592
  209   2H5*    C  20          2H5*        C  20  -4.582  21.652   3.699
  210    H4*    C  20           H4*        C  20  -4.096  20.078   2.018
  211    H3*    C  20           H3*        C  20  -6.472  21.466   1.851
  212    H2*    C  20           H2*        C  20  -7.883  19.804   2.693
  213   2HO*    C  20          2HO*        C  20  -7.584  19.074  -0.053
  214    H1*    C  20           H1*        C  20  -6.437  17.572   1.302
  215   1H4     C  20          1H4         C  20  -9.377  14.120   5.726
  216   2H4     C  20          2H4         C  20  -9.563  15.499   6.785
  217    H5     C  20           H5         C  20  -8.618  17.666   6.280
  218    H6     C  20           H6         C  20  -7.436  18.993   4.603
  219   1H5*    G  21          1H5*        G  21  -1.765  20.937   0.177
  220   2H5*    G  21          2H5*        G  21  -2.232  20.030   1.624
  221    H4*    G  21           H4*        G  21  -1.391  22.969   1.587
  222    H3*    G  21           H3*        G  21   0.034  20.370   1.882
  223    H2*    G  21           H2*        G  21   0.805  20.694   4.009
  224   2HO*    G  21          2HO*        G  21   2.144  22.384   3.658
  225    H1*    G  21           H1*        G  21  -0.909  22.759   4.934
  226    H8     G  21           H8         G  21  -0.658  21.435   7.195
  227    H1     G  21           H1         G  21  -3.213  16.183   4.556
  228   1H2     G  21          1H2         G  21  -3.336  16.414   2.366
  229   2H2     G  21          2H2         G  21  -3.016  17.939   1.573
  230   1H5*    G  22          1H5*        G  22   4.691  20.171   2.316
  231   2H5*    G  22          2H5*        G  22   3.189  19.263   2.047
  232    H4*    G  22           H4*        G  22   4.181  20.379   4.714
  233    H3*    G  22           H3*        G  22   4.320  17.785   3.260
  234    H2*    G  22           H2*        G  22   3.238  16.478   4.831
  235   2HO*    G  22          2HO*        G  22   3.783  16.656   6.842
  236    H1*    G  22           H1*        G  22   1.463  18.251   5.944
  237    H8     G  22           H8         G  22   1.226  18.782   2.240
  238    H1     G  22           H1         G  22  -1.412  13.236   4.061
  239   1H2     G  22          1H2         G  22  -0.790  12.741   6.126
  240   2H2     G  22          2H2         G  22   0.096  13.868   7.128
  241   1H5*    G  23          1H5*        G  23   5.943  16.723   7.198
  242   2H5*    G  23          2H5*        G  23   7.527  15.976   6.901
  243    H4*    G  23           H4*        G  23   6.101  14.528   8.336
  244    H3*    G  23           H3*        G  23   7.107  13.793   5.618
  245    H2*    G  23           H2*        G  23   5.720  11.996   5.289
  246   2HO*    G  23          2HO*        G  23   5.476  10.512   6.780
  247    H1*    G  23           H1*        G  23   3.627  12.591   7.109
  248    H8     G  23           H8         G  23   4.382  15.054   4.236
  249    H1     G  23           H1         G  23   0.219  10.397   2.802
  250   1H2     G  23          1H2         G  23   0.097   8.951   4.467
  251   2H2     G  23          2H2         G  23   1.180   9.016   5.838
  252   1H5*    A  24          1H5*        A  24   8.977   9.204   5.656
  253   2H5*    A  24          2H5*        A  24   7.537  10.140   5.201
  254    H4*    A  24           H4*        A  24   7.364   8.118   7.451
  255    H3*    A  24           H3*        A  24   7.823   7.646   4.540
  256    H2*    A  24           H2*        A  24   5.876   6.491   4.122
  257   2HO*    A  24          2HO*        A  24   5.329   4.907   5.382
  258    H1*    A  24           H1*        A  24   4.208   7.449   6.146
  259    H8     A  24           H8         A  24   5.708  10.281   4.114
  260   1H6     A  24          1H6         A  24   1.664   9.047  -0.370
  261   2H6     A  24          2H6         A  24   2.796  10.219   0.266
  262    H2     A  24           H2         A  24   1.243   5.873   2.747
  263   1H5*    C  25          1H5*        C  25   7.758   3.691   6.056
  264   2H5*    C  25          2H5*        C  25   8.677   2.523   5.085
  265    H4*    C  25           H4*        C  25   6.051   2.498   4.899
  266    H3*    C  25           H3*        C  25   8.166   2.434   2.746
  267    H2*    C  25           H2*        C  25   6.652   2.770   1.028
  268   2HO*    C  25          2HO*        C  25   5.119   1.114   2.620
  269    H1*    C  25           H1*        C  25   4.518   3.926   2.532
  270   1H4     C  25          1H4         C  25   6.305   8.010  -2.034
  271   2H4     C  25          2H4         C  25   7.499   8.673  -0.945
  272    H5     C  25           H5         C  25   7.841   7.838   1.292
  273    H6     C  25           H6         C  25   7.313   6.032   2.858
  274   1H5*    U  26          1H5*        U  26   6.061   0.802  -0.026
  275   2H5*    U  26          2H5*        U  26   6.812  -0.794  -0.236
  276    H4*    U  26           H4*        U  26   7.199   0.303  -2.311
  277    H3*    U  26           H3*        U  26   9.415   0.076  -0.365
  278    H2*    U  26           H2*        U  26  10.658   1.860  -1.034
  279   2HO*    U  26          2HO*        U  26   9.872   1.329  -3.716
  280    H1*    U  26           H1*        U  26   8.831   3.121  -2.889
  281    H3     U  26           H3         U  26  10.189   6.960  -1.034
  282    H5     U  26           H5         U  26   9.614   4.475   2.321
  283    H6     U  26           H6         U  26   8.969   2.693   0.808
  284   1H5*    A  27          1H5*        A  27   8.541  -3.182  -3.287
  285   2H5*    A  27          2H5*        A  27   9.679  -4.492  -2.915
  286    H4*    A  27           H4*        A  27   9.151  -5.139  -5.069
  287    H3*    A  27           H3*        A  27  11.395  -3.160  -5.050
  288    H2*    A  27           H2*        A  27  11.269  -2.602  -7.304
  289   2HO*    A  27          2HO*        A  27  10.813  -4.030  -8.812
  290    H1*    A  27           H1*        A  27   8.608  -2.835  -7.789
  291    H8     A  27           H8         A  27   9.681  -1.021  -4.533
  292   1H6     A  27          1H6         A  27  10.389   4.024  -8.029
  293   2H6     A  27          2H6         A  27  10.399   3.385  -6.401
  294    H2     A  27           H2         A  27   9.325   0.608 -10.727
  295   1H5*    G  28          1H5*        G  28  12.833  -5.191  -8.459
  296   2H5*    G  28          2H5*        G  28  14.568  -4.818  -8.458
  297    H4*    G  28           H4*        G  28  12.910  -3.574 -10.137
  298    H3*    G  28           H3*        G  28  15.330  -2.701  -8.603
  299    H2*    G  28           H2*        G  28  14.992  -0.436  -8.906
  300   2HO*    G  28          2HO*        G  28  14.265   0.403 -10.744
  301    H1*    G  28           H1*        G  28  12.216  -0.343  -9.206
  302    H8     G  28           H8         G  28  12.664  -1.952  -5.925
  303    H1     G  28           H1         G  28  14.911   4.051  -5.835
  304   1H2     G  28          1H2         G  28  14.995   4.857  -7.889
  305   2H2     G  28          2H2         G  28  14.692   3.861  -9.295
  306   1H5*    C  29          1H5*        C  29  14.996  -0.728 -12.574
  307   2H5*    C  29          2H5*        C  29  16.427  -1.248 -13.488
  308    H4*    C  29           H4*        C  29  16.100   1.075 -14.044
  309    H3*    C  29           H3*        C  29  18.297   0.379 -12.125
  310    H2*    C  29           H2*        C  29  18.840   2.623 -11.726
  311   2HO*    C  29          2HO*        C  29  18.913   3.374 -13.828
  312    H1*    C  29           H1*        C  29  16.303   3.685 -11.675
  313   1H4     C  29          1H4         C  29  18.239   2.549  -5.667
  314   2H4     C  29          2H4         C  29  17.827   0.858  -5.846
  315    H5     C  29           H5         C  29  16.920  -0.066  -7.869
  316    H6     C  29           H6         C  29  16.321   0.394 -10.197
  317   1H5*    A  30          1H5*        A  30  20.795   1.888 -15.677
  318   2H5*    A  30          2H5*        A  30  22.430   1.263 -15.382
  319    H4*    A  30           H4*        A  30  21.927   3.830 -14.988
  320    H3*    A  30           H3*        A  30  23.543   1.827 -13.462
  321    H2*    A  30           H2*        A  30  23.754   3.113 -11.566
  322   2HO*    A  30          2HO*        A  30  23.472   5.395 -13.247
  323    H1*    A  30           H1*        A  30  21.519   4.868 -11.937
  324    H8     A  30           H8         A  30  20.419   1.310 -11.454
  325   1H6     A  30          1H6         A  30  20.971   2.320  -5.381
  326   2H6     A  30          2H6         A  30  20.242   1.311  -6.610
  327    H2     A  30           H2         A  30  22.834   5.780  -7.541
  328   1H5*    A  31          1H5*        A  31  26.687   0.810 -12.775
  329   2H5*    A  31          2H5*        A  31  25.147   1.618 -12.438
  330    H4*    A  31           H4*        A  31  27.326   3.202 -11.367
  331    H3*    A  31           H3*        A  31  28.017   0.521 -11.400
  332    H2*    A  31           H2*        A  31  26.308  -0.388 -10.130
  333   2HO*    A  31          2HO*        A  31  28.279  -0.445  -8.808
  334    H1*    A  31           H1*        A  31  25.983   1.950  -8.316
  335    H8     A  31           H8         A  31  23.880   0.387 -11.199
  336   1H6     A  31          1H6         A  31  20.035  -1.438  -6.700
  337   2H6     A  31          2H6         A  31  20.321  -1.414  -8.425
  338    H2     A  31           H2         A  31  23.542   0.630  -4.807
  339   1H5*    A  32          1H5*        A  32  27.681   4.500 -10.145
  340   2H5*    A  32          2H5*        A  32  28.841   5.755 -10.609
  341    H4*    A  32           H4*        A  32  27.923   6.833  -8.796
  342    H3*    A  32           H3*        A  32  30.280   5.265  -8.101
  343    H2*    A  32           H2*        A  32  29.417   4.169  -6.282
  344   2HO*    A  32          2HO*        A  32  30.355   6.200  -5.364
  345    H1*    A  32           H1*        A  32  27.083   6.024  -5.970
  346    H8     A  32           H8         A  32  27.735   2.268  -6.905
  347   1H6     A  32          1H6         A  32  24.028   1.071  -2.097
  348   2H6     A  32          2H6         A  32  25.081   0.374  -3.307
  349    H2     A  32           H2         A  32  24.535   5.519  -2.397
  350   1H5*    C  33          1H5*        C  33  28.473   8.760  -8.368
  351   2H5*    C  33          2H5*        C  33  28.856   9.789  -9.763
  352    H4*    C  33           H4*        C  33  28.255  11.645  -8.600
  353    H3*    C  33           H3*        C  33  30.471  10.548  -6.944
  354    H2*    C  33           H2*        C  33  29.654  11.127  -4.902
  355   2HO*    C  33          2HO*        C  33  29.980  13.340  -5.401
  356    H1*    C  33           H1*        C  33  26.969  11.878  -5.607
  357   1H4     C  33          1H4         C  33  26.178   7.568  -1.015
  358   2H4     C  33          2H4         C  33  27.334   6.483  -1.751
  359    H5     C  33           H5         C  33  28.405   6.939  -3.864
  360    H6     C  33           H6         C  33  28.697   8.585  -5.649
  361   1H5*    G  34          1H5*        G  34  32.221  14.372  -5.875
  362   2H5*    G  34          2H5*        G  34  33.854  13.727  -5.618
  363    H4*    G  34           H4*        G  34  32.242  14.183  -3.548
  364    H3*    G  34           H3*        G  34  34.161  11.939  -4.159
  365    H2*    G  34           H2*        G  34  33.478  10.675  -2.363
  366   2HO*    G  34          2HO*        G  34  32.804  13.158  -1.163
  367    H1*    G  34           H1*        G  34  30.872  11.801  -2.012
  368    H8     G  34           H8         G  34  31.607   9.911  -5.275
  369    H1     G  34           H1         G  34  30.058   6.148  -0.303
  370   1H2     G  34          1H2         G  34  29.998   7.350   1.549
  371   2H2     G  34          2H2         G  34  30.133   9.093   1.536
  372   1H5*    G  35          1H5*        G  35  35.395  14.208   0.084
  373   2H5*    G  35          2H5*        G  35  36.947  13.445   0.481
  374    H4*    G  35           H4*        G  35  34.916  13.363   2.208
  375    H3*    G  35           H3*        G  35  37.046  11.398   1.433
  376    H2*    G  35           H2*        G  35  36.046   9.574   2.403
  377   2HO*    G  35          2HO*        G  35  35.151   9.657   4.338
  378    H1*    G  35           H1*        G  35  33.345  10.402   2.422
  379    H8     G  35           H8         G  35  34.879  10.273  -1.054
  380    H1     G  35           H1         G  35  33.329   4.511   1.296
  381   1H2     G  35          1H2         G  35  32.718   4.697   3.408
  382   2H2     G  35          2H2         G  35  32.878   6.196   4.296
  383   1H5*    A  36          1H5*        A  36  37.010  11.910   6.425
  384   2H5*    A  36          2H5*        A  36  38.476  10.998   6.832
  385    H4*    A  36           H4*        A  36  36.120  10.337   7.896
  386    H3*    A  36           H3*        A  36  38.449   8.695   6.913
  387    H2*    A  36           H2*        A  36  37.292   6.651   7.143
  388   2HO*    A  36          2HO*        A  36  35.709   6.343   8.567
  389    H1*    A  36           H1*        A  36  34.807   7.436   6.347
  390    H8     A  36           H8         A  36  37.199   9.050   3.943
  391   1H6     A  36          1H6         A  36  37.976   3.532   1.285
  392   2H6     A  36          2H6         A  36  38.331   5.242   1.189
  393    H2     A  36           H2         A  36  35.685   2.925   5.093
  394   1H5*    G  37          1H5*        G  37  37.240   6.692   9.996
  395   2H5*    G  37          2H5*        G  37  38.468   6.130  11.148
  396    H4*    G  37           H4*        G  37  37.239   4.213  10.159
  397    H3*    G  37           H3*        G  37  40.158   4.733   9.654
  398    H2*    G  37           H2*        G  37  40.358   3.089   8.061
  399   2HO*    G  37          2HO*        G  37  38.288   1.800   9.505
  400    H1*    G  37           H1*        G  37  37.613   2.882   7.288
  401    H8     G  37           H8         G  37  38.983   6.245   6.354
  402    H1     G  37           H1         G  37  41.098   1.532   2.554
  403   1H2     G  37          1H2         G  37  40.593  -0.428   3.443
  404   2H2     G  37          2H2         G  37  39.582  -0.573   4.863
  405   1H5*    G  38          1H5*        G  38  39.011   0.444  11.437
  406   2H5*    G  38          2H5*        G  38  40.456  -0.190  12.249
  407    H4*    G  38           H4*        G  38  39.237  -1.803  10.642
  408    H3*    G  38           H3*        G  38  42.138  -1.089  10.814
  409    H2*    G  38           H2*        G  38  42.748  -1.984   8.789
  410   2HO*    G  38          2HO*        G  38  40.551  -3.753   9.135
  411    H1*    G  38           H1*        G  38  40.288  -1.932   7.410
  412    H8     G  38           H8         G  38  41.410   1.492   8.605
  413    H1     G  38           H1         G  38  44.405  -0.493   3.297
  414   1H2     G  38          1H2         G  38  43.913  -2.606   2.895
  415   2H2     G  38          2H2         G  38  43.010  -3.585   4.029
  416   1H5*    C  39          1H5*        C  39  41.757  -5.346   9.782
  417   2H5*    C  39          2H5*        C  39  42.635  -6.267  11.019
  418    H4*    C  39           H4*        C  39  43.261  -7.203   8.880
  419    H3*    C  39           H3*        C  39  45.207  -5.446  10.343
  420    H2*    C  39           H2*        C  39  46.697  -5.289   8.601
  421   2HO*    C  39          2HO*        C  39  47.215  -7.378   8.291
  422    H1*    C  39           H1*        C  39  44.949  -5.823   6.425
  423   1H4     C  39          1H4         C  39  47.154   0.095   5.656
  424   2H4     C  39          2H4         C  39  46.452   0.605   7.173
  425    H5     C  39           H5         C  39  45.132  -0.850   8.567
  426    H6     C  39           H6         C  39  44.354  -3.151   8.897
  427   1H5*    C  40          1H5*        C  40  49.088  -6.170  12.134
  428   2H5*    C  40          2H5*        C  40  47.540  -5.889  12.951
  429    H4*    C  40           H4*        C  40  48.367  -3.705  12.873
  430    H3*    C  40           H3*        C  40  46.752  -4.377  10.427
  431    H2*    C  40           H2*        C  40  47.422  -2.537   9.241
  432   2HO*    C  40          2HO*        C  40  47.760  -0.554  10.181
  433    H1*    C  40           H1*        C  40  49.817  -1.929  10.656
  434   1H4     C  40          1H4         C  40  51.514  -2.991   4.620
  435   2H4     C  40          2H4         C  40  50.758  -4.566   4.628
  436    H5     C  40           H5         C  40  49.358  -5.329   6.436
  437    H6     C  40           H6         C  40  48.647  -4.905   8.735
  438    H3T    C  40           H3T        C  40  45.345  -2.948  11.391
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  53.717   7.271   1.783
    2   2H5*    G   1          2H5*        G   1  52.534   6.809   0.543
    3    H4*    G   1           H4*        G   1  54.645   5.481   0.315
    4    H3*    G   1           H3*        G   1  52.033   4.185   1.171
    5    H2*    G   1           H2*        G   1  53.084   2.069   1.304
    6   2HO*    G   1          2HO*        G   1  55.076   3.243  -0.347
    7    H1*    G   1           H1*        G   1  55.550   2.924   2.214
    8    H8     G   1           H8         G   1  53.924   4.572   4.796
    9    H1     G   1           H1         G   1  51.812  -1.481   4.871
   10   1H2     G   1          1H2         G   1  52.322  -2.482   2.959
   11   2H2     G   1          2H2         G   1  52.997  -1.609   1.603
   12    H5T    G   1           H5T        G   1  51.274   5.981   2.023
   13   1H5*    G   2          1H5*        G   2  52.504   2.478  -3.106
   14   2H5*    G   2          2H5*        G   2  50.870   2.467  -3.798
   15    H4*    G   2           H4*        G   2  51.902   0.177  -3.743
   16    H3*    G   2           H3*        G   2  49.455   0.937  -2.142
   17    H2*    G   2           H2*        G   2  49.227  -1.279  -1.331
   18   2HO*    G   2          2HO*        G   2  49.699  -2.408  -3.250
   19    H1*    G   2           H1*        G   2  51.864  -1.607  -0.673
   20    H8     G   2           H8         G   2  51.395   1.951   0.100
   21    H1     G   2           H1         G   2  47.733  -1.630   3.950
   22   1H2     G   2          1H2         G   2  47.717  -3.723   3.246
   23   2H2     G   2          2H2         G   2  48.440  -4.204   1.727
   24   1H5*    C   3          1H5*        C   3  47.690  -1.778  -5.431
   25   2H5*    C   3          2H5*        C   3  45.947  -1.466  -5.552
   26    H4*    C   3           H4*        C   3  46.735  -3.756  -4.557
   27    H3*    C   3           H3*        C   3  44.645  -1.812  -3.611
   28    H2*    C   3           H2*        C   3  44.250  -2.921  -1.608
   29   2HO*    C   3          2HO*        C   3  43.933  -4.981  -1.923
   30    H1*    C   3           H1*        C   3  46.798  -3.859  -1.066
   31   1H4     C   3          1H4         C   3  45.318   1.344   2.443
   32   2H4     C   3          2H4         C   3  46.404   2.249   1.414
   33    H5     C   3           H5         C   3  47.253   1.391  -0.671
   34    H6     C   3           H6         C   3  47.464  -0.596  -2.083
   35   1H5*    C   4          1H5*        C   4  42.076  -5.245  -3.804
   36   2H5*    C   4          2H5*        C   4  40.406  -4.654  -3.908
   37    H4*    C   4           H4*        C   4  41.403  -5.533  -1.591
   38    H3*    C   4           H3*        C   4  39.556  -3.253  -2.286
   39    H2*    C   4           H2*        C   4  39.645  -2.330  -0.186
   40   2HO*    C   4          2HO*        C   4  39.219  -3.558   1.451
   41    H1*    C   4           H1*        C   4  42.122  -3.479   0.699
   42   1H4     C   4          1H4         C   4  42.191   2.948   0.877
   43   2H4     C   4          2H4         C   4  43.210   2.885  -0.541
   44    H5     C   4           H5         C   4  43.559   0.865  -1.827
   45    H6     C   4           H6         C   4  43.045  -1.521  -1.986
   46   1H5*    U   5          1H5*        U   5  37.911  -5.460   1.417
   47   2H5*    U   5          2H5*        U   5  36.236  -5.791   0.930
   48    H4*    U   5           H4*        U   5  36.283  -4.934   3.239
   49    H3*    U   5           H3*        U   5  35.089  -3.380   0.963
   50    H2*    U   5           H2*        U   5  34.825  -1.427   2.148
   51   2HO*    U   5          2HO*        U   5  34.697  -3.087   4.453
   52    H1*    U   5           H1*        U   5  36.810  -1.771   4.136
   53    H3     U   5           H3         U   5  37.485   2.361   2.395
   54    H5     U   5           H5         U   5  38.711  -0.275  -0.657
   55    H6     U   5           H6         U   5  37.824  -2.106   0.661
   56   1H5*    C   6          1H5*        C   6  31.842  -3.891   4.654
   57   2H5*    C   6          2H5*        C   6  30.328  -3.365   3.894
   58    H4*    C   6           H4*        C   6  31.213  -2.166   6.102
   59    H3*    C   6           H3*        C   6  29.844  -1.176   3.626
   60    H2*    C   6           H2*        C   6  30.287   1.048   3.979
   61   2HO*    C   6          2HO*        C   6  30.567   0.475   6.753
   62    H1*    C   6           H1*        C   6  32.600   0.889   5.575
   63   1H4     C   6          1H4         C   6  34.125   3.561  -0.008
   64   2H4     C   6          2H4         C   6  33.964   2.023  -0.822
   65    H5     C   6           H5         C   6  33.407  -0.023   0.331
   66    H6     C   6           H6         C   6  32.653  -0.985   2.457
   67   1H5*    C   7          1H5*        C   7  28.282   1.102   7.256
   68   2H5*    C   7          2H5*        C   7  26.519   1.115   7.062
   69    H4*    C   7           H4*        C   7  27.349   3.387   7.584
   70    H3*    C   7           H3*        C   7  26.104   2.663   4.946
   71    H2*    C   7           H2*        C   7  26.627   4.653   3.915
   72   2HO*    C   7          2HO*        C   7  26.769   5.836   6.502
   73    H1*    C   7           H1*        C   7  28.883   5.424   5.438
   74   1H4     C   7          1H4         C   7  30.756   4.318  -0.549
   75   2H4     C   7          2H4         C   7  30.599   2.594  -0.306
   76    H5     C   7           H5         C   7  29.495   1.639   1.626
   77    H6     C   7           H6         C   7  28.653   2.104   3.874
   78   1H5*    A   8          1H5*        A   8  23.955   6.463   5.270
   79   2H5*    A   8          2H5*        A   8  22.519   6.096   4.295
   80    H4*    A   8           H4*        A   8  24.391   7.729   3.356
   81    H3*    A   8           H3*        A   8  22.574   5.723   2.155
   82    H2*    A   8           H2*        A   8  23.836   5.127   0.356
   83   2HO*    A   8          2HO*        A   8  24.747   7.823   0.241
   84    H1*    A   8           H1*        A   8  26.364   6.342   1.002
   85    H8     A   8           H8         A   8  24.850   3.285   2.824
   86   1H6     A   8          1H6         A   8  28.260  -0.119  -1.045
   87   2H6     A   8          2H6         A   8  27.316  -0.132   0.428
   88    H2     A   8           H2         A   8  28.661   4.184  -2.249
   89   1H5*    G   9          1H5*        G   9  21.862  10.236   0.432
   90   2H5*    G   9          2H5*        G   9  20.136  10.384   0.049
   91    H4*    G   9           H4*        G   9  21.881  11.090  -1.778
   92    H3*    G   9           H3*        G   9  19.410   9.388  -1.971
   93    H2*    G   9           H2*        G   9  19.761   8.831  -4.211
   94   2HO*    G   9          2HO*        G   9  21.635  10.975  -4.280
   95    H1*    G   9           H1*        G   9  22.526   8.539  -4.127
   96    H8     G   9           H8         G   9  21.812   6.691  -1.119
   97    H1     G   9           H1         G   9  18.961   3.838  -6.108
   98   1H2     G   9          1H2         G   9  18.957   5.183  -7.854
   99   2H2     G   9          2H2         G   9  19.484   6.848  -7.753
  100   1H5*    C  10          1H5*        C  10  19.224  11.652  -5.321
  101   2H5*    C  10          2H5*        C  10  17.728  12.591  -5.487
  102    H4*    C  10           H4*        C  10  18.185  11.271  -7.540
  103    H3*    C  10           H3*        C  10  15.814  10.828  -5.753
  104    H2*    C  10           H2*        C  10  15.140   8.870  -6.757
  105   2HO*    C  10          2HO*        C  10  15.215   8.552  -8.887
  106    H1*    C  10           H1*        C  10  17.596   7.984  -7.836
  107   1H4     C  10          1H4         C  10  15.790   3.816  -3.370
  108   2H4     C  10          2H4         C  10  16.211   4.947  -2.105
  109    H5     C  10           H5         C  10  17.139   7.130  -2.550
  110    H6     C  10           H6         C  10  17.645   8.776  -4.291
  111   1H5*    G  11          1H5*        G  11  13.969  10.356  -9.592
  112   2H5*    G  11          2H5*        G  11  12.350  11.074  -9.472
  113    H4*    G  11           H4*        G  11  12.368   8.573  -9.944
  114    H3*    G  11           H3*        G  11  11.000   9.996  -7.683
  115    H2*    G  11           H2*        G  11  10.500   8.095  -6.493
  116   2HO*    G  11          2HO*        G  11   9.675   6.364  -7.426
  117    H1*    G  11           H1*        G  11  12.435   6.307  -7.574
  118    H8     G  11           H8         G  11  13.453   9.498  -5.627
  119    H1     G  11           H1         G  11  12.604   4.262  -2.023
  120   1H2     G  11          1H2         G  11  11.746   2.636  -3.242
  121   2H2     G  11          2H2         G  11  11.566   2.765  -4.977
  122   1H5*    A  12          1H5*        A  12   8.811   8.259 -11.296
  123   2H5*    A  12          2H5*        A  12   7.412   9.231 -11.795
  124    H4*    A  12           H4*        A  12   6.984   6.912 -12.415
  125    H3*    A  12           H3*        A  12   5.478   8.283 -10.235
  126    H2*    A  12           H2*        A  12   4.566   6.405  -9.277
  127   2HO*    A  12          2HO*        A  12   4.824   5.173 -11.829
  128    H1*    A  12           H1*        A  12   6.403   4.429 -10.050
  129    H8     A  12           H8         A  12   6.774   7.771  -8.026
  130   1H6     A  12          1H6         A  12   7.414   4.076  -3.117
  131   2H6     A  12          2H6         A  12   7.482   5.725  -3.695
  132    H2     A  12           H2         A  12   6.920   1.483  -6.744
  133   1H5*    C  13          1H5*        C  13   2.032  10.792 -11.221
  134   2H5*    C  13          2H5*        C  13   3.370  11.719 -10.511
  135    H4*    C  13           H4*        C  13   1.850   9.407  -9.227
  136    H3*    C  13           H3*        C  13   1.444  12.218  -9.318
  137    H2*    C  13           H2*        C  13   2.992  12.971  -7.810
  138   2HO*    C  13          2HO*        C  13   1.134  12.919  -6.470
  139    H1*    C  13           H1*        C  13   3.452  10.450  -6.324
  140   1H4     C  13          1H4         C  13   9.022  13.499  -5.895
  141   2H4     C  13          2H4         C  13   9.119  13.651  -7.635
  142    H5     C  13           H5         C  13   7.332  12.997  -9.117
  143    H6     C  13           H6         C  13   5.130  11.954  -9.264
  144   1H5*    G  14          1H5*        G  14   0.710   7.797 -10.305
  145   2H5*    G  14          2H5*        G  14  -1.035   7.580 -10.064
  146    H4*    G  14           H4*        G  14  -0.273   5.414  -9.658
  147    H3*    G  14           H3*        G  14  -0.572   7.099  -7.222
  148    H2*    G  14           H2*        G  14   0.740   5.844  -5.815
  149   2HO*    G  14          2HO*        G  14   0.048   3.616  -7.448
  150    H1*    G  14           H1*        G  14   2.372   4.464  -7.662
  151    H8     G  14           H8         G  14   3.228   7.930  -8.358
  152    H1     G  14           H1         G  14   5.091   6.319  -2.441
  153   1H2     G  14          1H2         G  14   4.166   4.403  -1.851
  154   2H2     G  14          2H2         G  14   2.944   3.616  -2.824
  155   1H5*    G  15          1H5*        G  15  -1.182   3.902  -5.251
  156   2H5*    G  15          2H5*        G  15  -2.899   3.697  -4.854
  157    H4*    G  15           H4*        G  15  -1.947   3.453  -2.739
  158    H3*    G  15           H3*        G  15  -2.712   6.294  -3.347
  159    H2*    G  15           H2*        G  15  -1.540   7.208  -1.592
  160   2HO*    G  15          2HO*        G  15  -1.255   6.126   0.367
  161    H1*    G  15           H1*        G  15   0.348   5.117  -1.137
  162    H8     G  15           H8         G  15   2.493   6.547  -1.143
  163    H1     G  15           H1         G  15   0.323  10.360  -5.804
  164   1H2     G  15          1H2         G  15  -1.708   9.757  -6.397
  165   2H2     G  15          2H2         G  15  -2.461   8.294  -5.803
  166   1H5*    C  16          1H5*        C  16  -5.543   4.164   0.032
  167   2H5*    C  16          2H5*        C  16  -6.703   5.303   0.746
  168    H4*    C  16           H4*        C  16  -5.101   4.059   2.370
  169    H3*    C  16           H3*        C  16  -5.702   7.010   2.180
  170    H2*    C  16           H2*        C  16  -4.156   7.569   3.835
  171   2HO*    C  16          2HO*        C  16  -4.065   6.352   5.530
  172    H1*    C  16           H1*        C  16  -2.172   5.765   3.210
  173   1H4     C  16          1H4         C  16  -0.738  11.519   0.792
  174   2H4     C  16          2H4         C  16  -1.975  11.339  -0.429
  175    H5     C  16           H5         C  16  -3.358   9.371  -0.635
  176    H6     C  16           H6         C  16  -3.894   7.203   0.330
  177   1H5*    C  17          1H5*        C  17  -7.285   6.635   6.590
  178   2H5*    C  17          2H5*        C  17  -8.187   8.162   6.602
  179    H4*    C  17           H4*        C  17  -5.968   7.857   8.065
  180    H3*    C  17           H3*        C  17  -6.955  10.221   6.435
  181    H2*    C  17           H2*        C  17  -5.099  11.478   7.054
  182   2HO*    C  17          2HO*        C  17  -4.729   9.562   9.128
  183    H1*    C  17           H1*        C  17  -3.234   9.395   7.037
  184   1H4     C  17          1H4         C  17  -2.554  13.176   1.921
  185   2H4     C  17          2H4         C  17  -3.788  12.269   1.081
  186    H5     C  17           H5         C  17  -4.932  10.382   2.063
  187    H6     C  17           H6         C  17  -5.285   9.108   4.119
  188   1H5*    U  18          1H5*        U  18  -5.446  12.635   9.192
  189   2H5*    U  18          2H5*        U  18  -6.735  13.804   9.537
  190    H4*    U  18           H4*        U  18  -4.717  14.813   8.399
  191    H3*    U  18           H3*        U  18  -7.549  14.830   7.432
  192    H2*    U  18           H2*        U  18  -7.039  15.710   5.361
  193   2HO*    U  18          2HO*        U  18  -5.689  17.338   5.102
  194    H1*    U  18           H1*        U  18  -4.272  14.924   5.231
  195    H3     U  18           H3         U  18  -5.943  13.665   1.195
  196    H5     U  18           H5         U  18  -7.993  11.240   3.969
  197    H6     U  18           H6         U  18  -6.945  12.496   5.747
  198   1H5*    U  19          1H5*        U  19  -8.642  19.717   9.332
  199   2H5*    U  19          2H5*        U  19  -9.242  20.014   7.689
  200    H4*    U  19           H4*        U  19  -7.984  21.977   8.265
  201    H3*    U  19           H3*        U  19  -7.262  20.285   6.154
  202    H2*    U  19           H2*        U  19  -5.243  19.434   6.932
  203   2HO*    U  19          2HO*        U  19  -4.139  20.618   5.565
  204    H1*    U  19           H1*        U  19  -4.571  21.764   8.678
  205    H3     U  19           H3         U  19  -2.104  19.428  11.618
  206    H5     U  19           H5         U  19  -4.045  16.427   9.392
  207    H6     U  19           H6         U  19  -5.229  18.146   8.203
  208   1H5*    C  20          1H5*        C  20  -5.334  20.182   4.418
  209   2H5*    C  20          2H5*        C  20  -5.085  21.778   3.685
  210    H4*    C  20           H4*        C  20  -4.611  20.421   1.855
  211    H3*    C  20           H3*        C  20  -7.002  21.772   1.723
  212    H2*    C  20           H2*        C  20  -8.417  20.056   2.419
  213   2HO*    C  20          2HO*        C  20  -9.116  20.498   0.306
  214    H1*    C  20           H1*        C  20  -6.960  17.889   0.957
  215   1H4     C  20          1H4         C  20  -9.823  14.313   5.338
  216   2H4     C  20          2H4         C  20 -10.040  15.676   6.412
  217    H5     C  20           H5         C  20  -9.131  17.866   5.940
  218    H6     C  20           H6         C  20  -7.967  19.234   4.288
  219   1H5*    G  21          1H5*        G  21  -2.275  21.376   0.089
  220   2H5*    G  21          2H5*        G  21  -2.734  20.422   1.505
  221    H4*    G  21           H4*        G  21  -1.916  23.366   1.556
  222    H3*    G  21           H3*        G  21  -0.477  20.767   1.787
  223    H2*    G  21           H2*        G  21   0.283  21.037   3.925
  224   2HO*    G  21          2HO*        G  21   0.297  23.846   3.430
  225    H1*    G  21           H1*        G  21  -1.447  23.063   4.901
  226    H8     G  21           H8         G  21  -1.231  21.684   7.127
  227    H1     G  21           H1         G  21  -3.672  16.472   4.307
  228   1H2     G  21          1H2         G  21  -3.769  16.762   2.124
  229   2H2     G  21          2H2         G  21  -3.444  18.308   1.373
  230   1H5*    G  22          1H5*        G  22   4.183  20.606   2.267
  231   2H5*    G  22          2H5*        G  22   2.699  19.683   1.952
  232    H4*    G  22           H4*        G  22   3.636  20.738   4.663
  233    H3*    G  22           H3*        G  22   3.836  18.187   3.139
  234    H2*    G  22           H2*        G  22   2.757  16.821   4.658
  235   2HO*    G  22          2HO*        G  22   3.241  16.952   6.691
  236    H1*    G  22           H1*        G  22   0.945  18.539   5.805
  237    H8     G  22           H8         G  22   0.737  19.146   2.107
  238    H1     G  22           H1         G  22  -1.854  13.534   3.792
  239   1H2     G  22          1H2         G  22  -1.245  13.007   5.856
  240   2H2     G  22          2H2         G  22  -0.385  14.125   6.888
  241   1H5*    G  23          1H5*        G  23   5.390  17.110   7.053
  242   2H5*    G  23          2H5*        G  23   7.002  16.404   6.822
  243    H4*    G  23           H4*        G  23   5.576  14.917   8.204
  244    H3*    G  23           H3*        G  23   6.658  14.207   5.509
  245    H2*    G  23           H2*        G  23   5.312  12.384   5.145
  246   2HO*    G  23          2HO*        G  23   6.166  11.482   7.202
  247    H1*    G  23           H1*        G  23   3.161  12.939   6.904
  248    H8     G  23           H8         G  23   3.962  15.432   4.070
  249    H1     G  23           H1         G  23  -0.100  10.732   2.492
  250   1H2     G  23          1H2         G  23  -0.244   9.271   4.142
  251   2H2     G  23          2H2         G  23   0.802   9.338   5.542
  252   1H5*    A  24          1H5*        A  24   8.583   9.668   5.543
  253   2H5*    A  24          2H5*        A  24   7.141  10.613   5.115
  254    H4*    A  24           H4*        A  24   6.944   8.600   7.360
  255    H3*    A  24           H3*        A  24   7.513   8.073   4.478
  256    H2*    A  24           H2*        A  24   5.596   6.889   4.014
  257   2HO*    A  24          2HO*        A  24   6.216   5.690   6.229
  258    H1*    A  24           H1*        A  24   3.852   7.851   5.973
  259    H8     A  24           H8         A  24   5.379  10.648   3.901
  260   1H6     A  24          1H6         A  24   1.454   9.256  -0.643
  261   2H6     A  24          2H6         A  24   2.567  10.451  -0.018
  262    H2     A  24           H2         A  24   0.960   6.184   2.565
  263   1H5*    C  25          1H5*        C  25   7.427   4.126   6.130
  264   2H5*    C  25          2H5*        C  25   8.391   2.948   5.216
  265    H4*    C  25           H4*        C  25   5.764   2.857   5.001
  266    H3*    C  25           H3*        C  25   7.915   2.738   2.888
  267    H2*    C  25           H2*        C  25   6.419   2.958   1.129
  268   2HO*    C  25          2HO*        C  25   4.423   2.027   1.145
  269    H1*    C  25           H1*        C  25   4.244   4.148   2.536
  270   1H4     C  25          1H4         C  25   6.101   8.043  -2.173
  271   2H4     C  25          2H4         C  25   7.277   8.753  -1.095
  272    H5     C  25           H5         C  25   7.583   8.019   1.181
  273    H6     C  25           H6         C  25   7.026   6.286   2.819
  274   1H5*    U  26          1H5*        U  26   6.108   0.856   0.227
  275   2H5*    U  26          2H5*        U  26   6.883  -0.740   0.185
  276    H4*    U  26           H4*        U  26   7.330   0.159  -1.966
  277    H3*    U  26           H3*        U  26   9.485   0.144   0.054
  278    H2*    U  26           H2*        U  26  10.689   1.928  -0.669
  279   2HO*    U  26          2HO*        U  26  10.080   1.280  -3.363
  280    H1*    U  26           H1*        U  26   8.940   2.991  -2.713
  281    H3     U  26           H3         U  26  10.252   6.944  -1.052
  282    H5     U  26           H5         U  26   9.185   4.791   2.410
  283    H6     U  26           H6         U  26   8.687   2.888   0.993
  284   1H5*    A  27          1H5*        A  27   8.815  -3.246  -2.677
  285   2H5*    A  27          2H5*        A  27   9.954  -4.533  -2.232
  286    H4*    A  27           H4*        A  27   9.456  -5.276  -4.363
  287    H3*    A  27           H3*        A  27  11.700  -3.297  -4.398
  288    H2*    A  27           H2*        A  27  11.605  -2.840  -6.679
  289   2HO*    A  27          2HO*        A  27  10.210  -5.310  -6.942
  290    H1*    A  27           H1*        A  27   8.952  -3.081  -7.187
  291    H8     A  27           H8         A  27   9.988  -1.151  -3.987
  292   1H6     A  27          1H6         A  27  10.830   3.743  -7.658
  293   2H6     A  27          2H6         A  27  10.706   3.189  -6.003
  294    H2     A  27           H2         A  27   9.738   0.246 -10.243
  295   1H5*    G  28          1H5*        G  28  13.164  -5.467  -7.742
  296   2H5*    G  28          2H5*        G  28  14.896  -5.083  -7.735
  297    H4*    G  28           H4*        G  28  13.251  -3.918  -9.483
  298    H3*    G  28           H3*        G  28  15.652  -2.975  -7.962
  299    H2*    G  28           H2*        G  28  15.312  -0.723  -8.350
  300   2HO*    G  28          2HO*        G  28  13.713  -1.444 -10.592
  301    H1*    G  28           H1*        G  28  12.541  -0.632  -8.625
  302    H8     G  28           H8         G  28  13.015  -2.229  -5.337
  303    H1     G  28           H1         G  28  15.236   3.784  -5.291
  304   1H2     G  28          1H2         G  28  15.303   4.581  -7.350
  305   2H2     G  28          2H2         G  28  14.993   3.577  -8.748
  306   1H5*    C  29          1H5*        C  29  15.391  -1.119 -12.041
  307   2H5*    C  29          2H5*        C  29  16.878  -1.623 -12.868
  308    H4*    C  29           H4*        C  29  16.500   0.697 -13.461
  309    H3*    C  29           H3*        C  29  18.678   0.034 -11.508
  310    H2*    C  29           H2*        C  29  19.194   2.288 -11.126
  311   2HO*    C  29          2HO*        C  29  17.609   2.935 -13.400
  312    H1*    C  29           H1*        C  29  16.645   3.324 -11.114
  313   1H4     C  29          1H4         C  29  18.525   2.268  -5.071
  314   2H4     C  29          2H4         C  29  18.123   0.574  -5.236
  315    H5     C  29           H5         C  29  17.248  -0.376  -7.260
  316    H6     C  29           H6         C  29  16.671   0.055  -9.598
  317   1H5*    A  30          1H5*        A  30  21.150   1.561 -15.056
  318   2H5*    A  30          2H5*        A  30  22.802   0.966 -14.787
  319    H4*    A  30           H4*        A  30  22.278   3.519 -14.385
  320    H3*    A  30           H3*        A  30  23.908   1.537 -12.851
  321    H2*    A  30           H2*        A  30  24.091   2.817 -10.949
  322   2HO*    A  30          2HO*        A  30  24.527   4.924 -11.014
  323    H1*    A  30           H1*        A  30  21.844   4.555 -11.333
  324    H8     A  30           H8         A  30  20.781   0.982 -10.864
  325   1H6     A  30          1H6         A  30  21.260   1.997  -4.786
  326   2H6     A  30          2H6         A  30  20.555   0.979  -6.022
  327    H2     A  30           H2         A  30  23.106   5.478  -6.924
  328   1H5*    A  31          1H5*        A  31  27.049   0.565 -12.128
  329   2H5*    A  31          2H5*        A  31  25.495   1.355 -11.808
  330    H4*    A  31           H4*        A  31  27.640   2.965 -10.708
  331    H3*    A  31           H3*        A  31  28.375   0.301 -10.745
  332    H2*    A  31           H2*        A  31  26.659  -0.643  -9.509
  333   2HO*    A  31          2HO*        A  31  27.222  -0.726  -7.303
  334    H1*    A  31           H1*        A  31  26.285   1.673  -7.677
  335    H8     A  31           H8         A  31  24.238   0.087 -10.589
  336   1H6     A  31          1H6         A  31  20.403  -1.860  -6.132
  337   2H6     A  31          2H6         A  31  20.631  -1.697  -7.860
  338    H2     A  31           H2         A  31  23.813   0.338  -4.203
  339   1H5*    A  32          1H5*        A  32  27.922   4.269  -9.487
  340   2H5*    A  32          2H5*        A  32  29.072   5.532  -9.956
  341    H4*    A  32           H4*        A  32  28.106   6.630  -8.178
  342    H3*    A  32           H3*        A  32  30.477   5.119  -7.425
  343    H2*    A  32           H2*        A  32  29.611   4.021  -5.608
  344   2HO*    A  32          2HO*        A  32  29.982   6.611  -4.882
  345    H1*    A  32           H1*        A  32  27.237   5.825  -5.334
  346    H8     A  32           H8         A  32  27.969   2.088  -6.275
  347   1H6     A  32          1H6         A  32  24.242   0.797  -1.509
  348   2H6     A  32          2H6         A  32  25.334   0.127  -2.699
  349    H2     A  32           H2         A  32  24.681   5.254  -1.772
  350   1H5*    C  33          1H5*        C  33  28.600   8.580  -7.734
  351   2H5*    C  33          2H5*        C  33  28.974   9.589  -9.144
  352    H4*    C  33           H4*        C  33  28.334  11.458  -8.020
  353    H3*    C  33           H3*        C  33  30.566  10.434  -6.344
  354    H2*    C  33           H2*        C  33  29.728  10.996  -4.306
  355   2HO*    C  33          2HO*        C  33  28.731  13.313  -5.614
  356    H1*    C  33           H1*        C  33  27.032  11.697  -5.012
  357   1H4     C  33          1H4         C  33  26.338   7.389  -0.400
  358   2H4     C  33          2H4         C  33  27.513   6.322  -1.136
  359    H5     C  33           H5         C  33  28.561   6.787  -3.257
  360    H6     C  33           H6         C  33  28.823   8.434  -5.046
  361   1H5*    G  34          1H5*        G  34  32.061  14.364  -5.252
  362   2H5*    G  34          2H5*        G  34  33.744  13.864  -4.986
  363    H4*    G  34           H4*        G  34  32.138  14.219  -2.910
  364    H3*    G  34           H3*        G  34  34.164  12.080  -3.536
  365    H2*    G  34           H2*        G  34  33.547  10.752  -1.762
  366   2HO*    G  34          2HO*        G  34  32.708  13.157  -0.500
  367    H1*    G  34           H1*        G  34  30.897  11.747  -1.368
  368    H8     G  34           H8         G  34  31.746   9.933  -4.656
  369    H1     G  34           H1         G  34  30.230   6.061   0.239
  370   1H2     G  34          1H2         G  34  30.101   7.236   2.107
  371   2H2     G  34          2H2         G  34  30.179   8.984   2.117
  372   1H5*    G  35          1H5*        G  35  35.285  14.316   0.809
  373   2H5*    G  35          2H5*        G  35  36.864  13.586   1.156
  374    H4*    G  35           H4*        G  35  34.859  13.376   2.904
  375    H3*    G  35           H3*        G  35  37.048  11.519   2.038
  376    H2*    G  35           H2*        G  35  36.119   9.622   2.927
  377   2HO*    G  35          2HO*        G  35  34.945  11.381   4.815
  378    H1*    G  35           H1*        G  35  33.394  10.354   3.024
  379    H8     G  35           H8         G  35  34.926  10.405  -0.462
  380    H1     G  35           H1         G  35  33.475   4.523   1.640
  381   1H2     G  35          1H2         G  35  32.859   4.608   3.757
  382   2H2     G  35          2H2         G  35  32.991   6.070   4.708
  383   1H5*    A  36          1H5*        A  36  37.046  11.748   7.091
  384   2H5*    A  36          2H5*        A  36  38.531  10.826   7.394
  385    H4*    A  36           H4*        A  36  36.202  10.061   8.456
  386    H3*    A  36           H3*        A  36  38.538   8.530   7.326
  387    H2*    A  36           H2*        A  36  37.426   6.462   7.409
  388   2HO*    A  36          2HO*        A  36  35.565   7.717   9.162
  389    H1*    A  36           H1*        A  36  34.899   7.262   6.734
  390    H8     A  36           H8         A  36  37.249   9.066   4.421
  391   1H6     A  36          1H6         A  36  37.924   3.800   1.281
  392   2H6     A  36          2H6         A  36  38.349   5.494   1.360
  393    H2     A  36           H2         A  36  35.744   2.869   5.091
  394   1H5*    G  37          1H5*        G  37  37.338   6.160  10.202
  395   2H5*    G  37          2H5*        G  37  38.633   5.492  11.216
  396    H4*    G  37           H4*        G  37  37.367   3.698  10.021
  397    H3*    G  37           H3*        G  37  40.276   4.303   9.548
  398    H2*    G  37           H2*        G  37  40.465   2.835   7.786
  399   2HO*    G  37          2HO*        G  37  38.461   1.388   9.155
  400    H1*    G  37           H1*        G  37  37.708   2.713   7.031
  401    H8     G  37           H8         G  37  39.033   6.156   6.410
  402    H1     G  37           H1         G  37  41.215   1.845   2.189
  403   1H2     G  37          1H2         G  37  40.728  -0.194   2.891
  404   2H2     G  37          2H2         G  37  39.717  -0.483   4.289
  405   1H5*    G  38          1H5*        G  38  39.100  -0.176  10.887
  406   2H5*    G  38          2H5*        G  38  40.563  -0.912  11.570
  407    H4*    G  38           H4*        G  38  39.225  -2.310   9.834
  408    H3*    G  38           H3*        G  38  42.153  -1.748  10.056
  409    H2*    G  38           H2*        G  38  42.722  -2.426   7.939
  410   2HO*    G  38          2HO*        G  38  40.429  -4.110   8.002
  411    H1*    G  38           H1*        G  38  40.262  -2.138   6.589
  412    H8     G  38           H8         G  38  41.409   1.132   8.081
  413    H1     G  38           H1         G  38  44.517  -0.426   2.697
  414   1H2     G  38          1H2         G  38  44.035  -2.501   2.119
  415   2H2     G  38          2H2         G  38  43.103  -3.565   3.148
  416   1H5*    C  39          1H5*        C  39  41.671  -5.854   8.530
  417   2H5*    C  39          2H5*        C  39  42.504  -6.914   9.683
  418    H4*    C  39           H4*        C  39  43.184  -7.641   7.488
  419    H3*    C  39           H3*        C  39  45.108  -6.020   9.129
  420    H2*    C  39           H2*        C  39  46.624  -5.718   7.424
  421   2HO*    C  39          2HO*        C  39  47.170  -7.284   6.079
  422    H1*    C  39           H1*        C  39  44.901  -6.030   5.192
  423   1H4     C  39          1H4         C  39  47.088  -0.059   5.033
  424   2H4     C  39          2H4         C  39  46.353   0.301   6.577
  425    H5     C  39           H5         C  39  45.008  -1.286   7.795
  426    H6     C  39           H6         C  39  44.256  -3.617   7.899
  427   1H5*    C  40          1H5*        C  40  48.978  -6.889  10.872
  428   2H5*    C  40          2H5*        C  40  47.414  -6.695  11.688
  429    H4*    C  40           H4*        C  40  48.223  -4.504  11.816
  430    H3*    C  40           H3*        C  40  46.657  -4.972   9.291
  431    H2*    C  40           H2*        C  40  47.315  -3.017   8.297
  432   2HO*    C  40          2HO*        C  40  47.660  -1.938  10.913
  433    H1*    C  40           H1*        C  40  49.680  -2.523   9.805
  434   1H4     C  40          1H4         C  40  51.472  -2.970   3.719
  435   2H4     C  40          2H4         C  40  50.759  -4.558   3.571
  436    H5     C  40           H5         C  40  49.360  -5.522   5.280
  437    H6     C  40           H6         C  40  48.598  -5.325   7.593
  438    H3T    C  40           H3T        C  40  45.188  -3.725  10.362
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  53.400   7.863   2.589
    2   2H5*    G   1          2H5*        G   1  52.547   7.415   1.097
    3    H4*    G   1           H4*        G   1  54.824   6.420   1.125
    4    H3*    G   1           H3*        G   1  52.302   4.778   1.237
    5    H2*    G   1           H2*        G   1  53.451   2.740   1.657
    6   2HO*    G   1          2HO*        G   1  55.642   2.506   1.182
    7    H1*    G   1           H1*        G   1  55.483   3.644   3.223
    8    H8     G   1           H8         G   1  52.934   5.465   4.965
    9    H1     G   1           H1         G   1  51.658  -0.805   5.375
   10   1H2     G   1          1H2         G   1  52.851  -1.927   3.897
   11   2H2     G   1          2H2         G   1  53.896  -1.138   2.736
   12    H5T    G   1           H5T        G   1  51.989   6.804   3.712
   13   1H5*    G   2          1H5*        G   2  52.701   3.099  -3.399
   14   2H5*    G   2          2H5*        G   2  50.928   3.148  -3.315
   15    H4*    G   2           H4*        G   2  52.210   0.816  -3.533
   16    H3*    G   2           H3*        G   2  49.844   1.656  -1.852
   17    H2*    G   2           H2*        G   2  49.637  -0.533  -0.958
   18   2HO*    G   2          2HO*        G   2  50.046  -1.735  -2.845
   19    H1*    G   2           H1*        G   2  52.278  -0.830  -0.365
   20    H8     G   2           H8         G   2  51.875   2.766   0.256
   21    H1     G   2           H1         G   2  48.291  -0.624   4.346
   22   1H2     G   2          1H2         G   2  48.244  -2.744   3.720
   23   2H2     G   2          2H2         G   2  48.922  -3.285   2.202
   24   1H5*    C   3          1H5*        C   3  47.735  -1.168  -4.931
   25   2H5*    C   3          2H5*        C   3  46.000  -0.832  -4.767
   26    H4*    C   3           H4*        C   3  47.030  -3.111  -3.845
   27    H3*    C   3           H3*        C   3  44.897  -1.255  -2.823
   28    H2*    C   3           H2*        C   3  44.732  -2.269  -0.741
   29   2HO*    C   3          2HO*        C   3  45.989  -4.534  -1.916
   30    H1*    C   3           H1*        C   3  47.357  -3.054  -0.358
   31   1H4     C   3          1H4         C   3  45.917   2.197   3.074
   32   2H4     C   3          2H4         C   3  46.699   3.157   1.840
   33    H5     C   3           H5         C   3  47.657   2.200  -0.156
   34    H6     C   3           H6         C   3  47.867   0.168  -1.505
   35   1H5*    C   4          1H5*        C   4  42.319  -5.031  -3.330
   36   2H5*    C   4          2H5*        C   4  40.653  -4.427  -3.425
   37    H4*    C   4           H4*        C   4  41.549  -5.648  -1.219
   38    H3*    C   4           H3*        C   4  39.689  -3.331  -1.684
   39    H2*    C   4           H2*        C   4  39.669  -2.643   0.508
   40   2HO*    C   4          2HO*        C   4  38.980  -4.253   1.695
   41    H1*    C   4           H1*        C   4  42.164  -3.705   1.374
   42   1H4     C   4          1H4         C   4  42.183   2.687   1.750
   43   2H4     C   4          2H4         C   4  42.949   2.730   0.180
   44    H5     C   4           H5         C   4  43.496   0.720  -1.060
   45    H6     C   4           H6         C   4  43.024  -1.669  -1.284
   46   1H5*    U   5          1H5*        U   5  37.512  -5.990   1.668
   47   2H5*    U   5          2H5*        U   5  35.885  -5.941   0.961
   48    H4*    U   5           H4*        U   5  35.971  -5.309   3.418
   49    H3*    U   5           H3*        U   5  34.880  -3.663   1.159
   50    H2*    U   5           H2*        U   5  34.659  -1.723   2.373
   51   2HO*    U   5          2HO*        U   5  33.442  -2.021   4.056
   52    H1*    U   5           H1*        U   5  36.575  -2.169   4.407
   53    H3     U   5           H3         U   5  37.443   1.961   2.742
   54    H5     U   5           H5         U   5  38.646  -0.672  -0.320
   55    H6     U   5           H6         U   5  37.670  -2.491   0.953
   56   1H5*    C   6          1H5*        C   6  31.522  -4.117   4.729
   57   2H5*    C   6          2H5*        C   6  30.038  -3.573   3.923
   58    H4*    C   6           H4*        C   6  30.877  -2.373   6.148
   59    H3*    C   6           H3*        C   6  29.591  -1.383   3.629
   60    H2*    C   6           H2*        C   6  30.061   0.836   3.967
   61   2HO*    C   6          2HO*        C   6  30.071   0.194   6.732
   62    H1*    C   6           H1*        C   6  32.331   0.664   5.616
   63   1H4     C   6          1H4         C   6  34.025   3.202   0.019
   64   2H4     C   6          2H4         C   6  33.832   1.659  -0.776
   65    H5     C   6           H5         C   6  33.204  -0.355   0.398
   66    H6     C   6           H6         C   6  32.399  -1.266   2.529
   67   1H5*    C   7          1H5*        C   7  27.974   0.951   7.203
   68   2H5*    C   7          2H5*        C   7  26.219   1.031   6.948
   69    H4*    C   7           H4*        C   7  27.159   3.271   7.483
   70    H3*    C   7           H3*        C   7  25.867   2.571   4.864
   71    H2*    C   7           H2*        C   7  26.476   4.515   3.797
   72   2HO*    C   7          2HO*        C   7  26.228   6.392   4.726
   73    H1*    C   7           H1*        C   7  28.751   5.233   5.326
   74   1H4     C   7          1H4         C   7  30.738   4.027  -0.596
   75   2H4     C   7          2H4         C   7  30.246   2.354  -0.470
   76    H5     C   7           H5         C   7  29.249   1.419   1.525
   77    H6     C   7           H6         C   7  28.422   1.916   3.771
   78   1H5*    A   8          1H5*        A   8  23.941   6.481   5.073
   79   2H5*    A   8          2H5*        A   8  22.468   6.143   4.142
   80    H4*    A   8           H4*        A   8  24.377   7.646   3.090
   81    H3*    A   8           H3*        A   8  22.486   5.634   2.014
   82    H2*    A   8           H2*        A   8  23.707   4.921   0.227
   83   2HO*    A   8          2HO*        A   8  24.730   7.565  -0.028
   84    H1*    A   8           H1*        A   8  26.276   6.091   0.790
   85    H8     A   8           H8         A   8  24.713   3.166   2.779
   86   1H6     A   8          1H6         A   8  27.951  -0.512  -0.987
   87   2H6     A   8          2H6         A   8  27.037  -0.429   0.503
   88    H2     A   8           H2         A   8  28.453   3.717  -2.394
   89   1H5*    G   9          1H5*        G   9  21.919  10.126   0.223
   90   2H5*    G   9          2H5*        G   9  20.194  10.367  -0.121
   91    H4*    G   9           H4*        G   9  21.906  11.018  -1.983
   92    H3*    G   9           H3*        G   9  19.398   9.367  -2.144
   93    H2*    G   9           H2*        G   9  19.704   8.818  -4.393
   94   2HO*    G   9          2HO*        G   9  21.619  10.924  -4.474
   95    H1*    G   9           H1*        G   9  22.464   8.463  -4.348
   96    H8     G   9           H8         G   9  21.753   6.614  -1.342
   97    H1     G   9           H1         G   9  18.767   3.860  -6.307
   98   1H2     G   9          1H2         G   9  18.745   5.225  -8.036
   99   2H2     G   9          2H2         G   9  19.354   6.862  -7.945
  100   1H5*    C  10          1H5*        C  10  19.147  11.711  -5.472
  101   2H5*    C  10          2H5*        C  10  17.655  12.668  -5.564
  102    H4*    C  10           H4*        C  10  18.030  11.378  -7.656
  103    H3*    C  10           H3*        C  10  15.710  10.953  -5.801
  104    H2*    C  10           H2*        C  10  14.976   9.013  -6.792
  105   2HO*    C  10          2HO*        C  10  14.942   8.726  -8.923
  106    H1*    C  10           H1*        C  10  17.374   8.109  -7.986
  107   1H4     C  10          1H4         C  10  15.664   3.885  -3.534
  108   2H4     C  10          2H4         C  10  16.115   4.997  -2.262
  109    H5     C  10           H5         C  10  17.050   7.180  -2.697
  110    H6     C  10           H6         C  10  17.529   8.847  -4.425
  111   1H5*    G  11          1H5*        G  11  13.705  10.518  -9.558
  112   2H5*    G  11          2H5*        G  11  12.115  11.281  -9.366
  113    H4*    G  11           H4*        G  11  12.035   8.781  -9.832
  114    H3*    G  11           H3*        G  11  10.825  10.243  -7.506
  115    H2*    G  11           H2*        G  11  10.316   8.360  -6.296
  116   2HO*    G  11          2HO*        G  11   9.473   7.538  -8.674
  117    H1*    G  11           H1*        G  11  12.158   6.517  -7.448
  118    H8     G  11           H8         G  11  13.307   9.711  -5.571
  119    H1     G  11           H1         G  11  12.630   4.485  -1.915
  120   1H2     G  11          1H2         G  11  11.707   2.859  -3.082
  121   2H2     G  11          2H2         G  11  11.439   2.983  -4.805
  122   1H5*    A  12          1H5*        A  12   8.766   8.329 -10.774
  123   2H5*    A  12          2H5*        A  12   7.447   9.191 -11.591
  124    H4*    A  12           H4*        A  12   7.063   6.865 -12.040
  125    H3*    A  12           H3*        A  12   5.378   8.278 -10.025
  126    H2*    A  12           H2*        A  12   4.503   6.419  -9.003
  127   2HO*    A  12          2HO*        A  12   3.639   5.655 -11.024
  128    H1*    A  12           H1*        A  12   6.459   4.488  -9.563
  129    H8     A  12           H8         A  12   6.567   7.953  -7.728
  130   1H6     A  12          1H6         A  12   7.210   4.583  -2.589
  131   2H6     A  12          2H6         A  12   7.189   6.198  -3.259
  132    H2     A  12           H2         A  12   6.980   1.765  -6.073
  133   1H5*    C  13          1H5*        C  13   2.717  11.187 -11.259
  134   2H5*    C  13          2H5*        C  13   4.122  11.729 -10.318
  135    H4*    C  13           H4*        C  13   2.235   9.465  -9.512
  136    H3*    C  13           H3*        C  13   1.930  12.308  -9.376
  137    H2*    C  13           H2*        C  13   3.360  12.729  -7.605
  138   2HO*    C  13          2HO*        C  13   1.531  13.059  -6.460
  139    H1*    C  13           H1*        C  13   3.025   9.967  -6.459
  140   1H4     C  13          1H4         C  13   8.942  12.678  -5.017
  141   2H4     C  13          2H4         C  13   8.428  11.824  -3.579
  142    H5     C  13           H5         C  13   6.300  10.679  -3.409
  143    H6     C  13           H6         C  13   4.281  10.041  -4.597
  144   1H5*    G  14          1H5*        G  14   0.602   7.477 -10.691
  145   2H5*    G  14          2H5*        G  14  -1.112   7.676 -10.274
  146    H4*    G  14           H4*        G  14  -0.584   5.403  -9.743
  147    H3*    G  14           H3*        G  14  -0.900   7.391  -7.549
  148    H2*    G  14           H2*        G  14   0.121   6.174  -5.889
  149   2HO*    G  14          2HO*        G  14  -0.251   4.071  -5.606
  150    H1*    G  14           H1*        G  14   1.698   4.376  -7.405
  151    H8     G  14           H8         G  14   2.902   7.789  -8.226
  152    H1     G  14           H1         G  14   4.540   6.067  -2.280
  153   1H2     G  14          1H2         G  14   3.472   4.224  -1.699
  154   2H2     G  14          2H2         G  14   2.220   3.515  -2.694
  155   1H5*    G  15          1H5*        G  15  -2.346   4.096  -5.577
  156   2H5*    G  15          2H5*        G  15  -4.020   4.394  -5.069
  157    H4*    G  15           H4*        G  15  -2.836   3.773  -3.080
  158    H3*    G  15           H3*        G  15  -3.426   6.701  -3.483
  159    H2*    G  15           H2*        G  15  -2.111   7.379  -1.718
  160   2HO*    G  15          2HO*        G  15  -3.456   5.697  -0.424
  161    H1*    G  15           H1*        G  15  -0.440   5.054  -1.500
  162    H8     G  15           H8         G  15   1.718   6.399  -1.135
  163    H1     G  15           H1         G  15   0.328  10.542  -5.815
  164   1H2     G  15          1H2         G  15  -1.595  10.033  -6.744
  165   2H2     G  15          2H2         G  15  -2.634   8.773  -6.118
  166   1H5*    C  16          1H5*        C  16  -6.015   4.495   0.000
  167   2H5*    C  16          2H5*        C  16  -7.156   5.609   0.777
  168    H4*    C  16           H4*        C  16  -5.596   4.290   2.351
  169    H3*    C  16           H3*        C  16  -6.049   7.270   2.245
  170    H2*    C  16           H2*        C  16  -4.447   7.717   3.880
  171   2HO*    C  16          2HO*        C  16  -3.975   6.372   5.467
  172    H1*    C  16           H1*        C  16  -2.562   5.840   3.181
  173   1H4     C  16          1H4         C  16  -0.887  11.535   0.790
  174   2H4     C  16          2H4         C  16  -2.175  11.445  -0.388
  175    H5     C  16           H5         C  16  -3.665   9.556  -0.582
  176    H6     C  16           H6         C  16  -4.290   7.407   0.372
  177   1H5*    C  17          1H5*        C  17  -7.466   6.924   6.735
  178   2H5*    C  17          2H5*        C  17  -8.319   8.479   6.748
  179    H4*    C  17           H4*        C  17  -6.087   8.118   8.177
  180    H3*    C  17           H3*        C  17  -7.030  10.496   6.542
  181    H2*    C  17           H2*        C  17  -5.121  11.699   7.100
  182   2HO*    C  17          2HO*        C  17  -4.761   9.799   9.190
  183    H1*    C  17           H1*        C  17  -3.320   9.565   7.065
  184   1H4     C  17          1H4         C  17  -2.686  13.233   1.859
  185   2H4     C  17          2H4         C  17  -3.975  12.352   1.077
  186    H5     C  17           H5         C  17  -5.136  10.513   2.124
  187    H6     C  17           H6         C  17  -5.470   9.293   4.215
  188   1H5*    U  18          1H5*        U  18  -5.372  12.949   9.188
  189   2H5*    U  18          2H5*        U  18  -6.623  14.166   9.504
  190    H4*    U  18           H4*        U  18  -4.597  15.043   8.249
  191    H3*    U  18           H3*        U  18  -7.466  15.134   7.405
  192    H2*    U  18           H2*        U  18  -7.015  15.906   5.277
  193   2HO*    U  18          2HO*        U  18  -5.399  17.515   6.610
  194    H1*    U  18           H1*        U  18  -4.289  15.001   5.063
  195    H3     U  18           H3         U  18  -6.217  13.663   1.163
  196    H5     U  18           H5         U  18  -8.188  11.407   4.129
  197    H6     U  18           H6         U  18  -7.007  12.691   5.802
  198   1H5*    U  19          1H5*        U  19  -8.291  20.110   9.214
  199   2H5*    U  19          2H5*        U  19  -8.951  20.394   7.592
  200    H4*    U  19           H4*        U  19  -7.611  22.326   8.056
  201    H3*    U  19           H3*        U  19  -7.010  20.555   5.975
  202    H2*    U  19           H2*        U  19  -5.004  19.650   6.724
  203   2HO*    U  19          2HO*        U  19  -4.287  22.294   5.981
  204    H1*    U  19           H1*        U  19  -4.193  22.009   8.369
  205    H3     U  19           H3         U  19  -1.726  19.683  11.322
  206    H5     U  19           H5         U  19  -3.834  16.682   9.252
  207    H6     U  19           H6         U  19  -4.987  18.404   8.034
  208   1H5*    C  20          1H5*        C  20  -4.965  20.554   4.136
  209   2H5*    C  20          2H5*        C  20  -4.871  22.078   3.231
  210    H4*    C  20           H4*        C  20  -4.434  20.481   1.559
  211    H3*    C  20           H3*        C  20  -6.779  21.919   1.401
  212    H2*    C  20           H2*        C  20  -8.219  20.295   2.261
  213   2HO*    C  20          2HO*        C  20  -8.949  20.645   0.125
  214    H1*    C  20           H1*        C  20  -6.832  18.023   0.875
  215   1H4     C  20          1H4         C  20  -9.853  14.679   5.330
  216   2H4     C  20          2H4         C  20  -9.983  16.067   6.385
  217    H5     C  20           H5         C  20  -8.971  18.200   5.868
  218    H6     C  20           H6         C  20  -7.761  19.482   4.180
  219   1H5*    G  21          1H5*        G  21  -2.097  21.249  -0.305
  220   2H5*    G  21          2H5*        G  21  -2.580  20.366   1.151
  221    H4*    G  21           H4*        G  21  -1.651  23.277   1.089
  222    H3*    G  21           H3*        G  21  -0.301  20.637   1.392
  223    H2*    G  21           H2*        G  21   0.505  20.961   3.507
  224   2HO*    G  21          2HO*        G  21   1.879  22.615   3.122
  225    H1*    G  21           H1*        G  21  -1.146  23.076   4.432
  226    H8     G  21           H8         G  21  -0.928  21.765   6.702
  227    H1     G  21           H1         G  21  -3.639  16.565   4.117
  228   1H2     G  21          1H2         G  21  -3.765  16.780   1.927
  229   2H2     G  21          2H2         G  21  -3.406  18.290   1.119
  230   1H5*    G  22          1H5*        G  22   4.365  20.330   1.798
  231   2H5*    G  22          2H5*        G  22   2.839  19.452   1.558
  232    H4*    G  22           H4*        G  22   3.881  20.591   4.196
  233    H3*    G  22           H3*        G  22   3.947  17.970   2.786
  234    H2*    G  22           H2*        G  22   2.842  16.716   4.381
  235   2HO*    G  22          2HO*        G  22   3.887  18.631   6.156
  236    H1*    G  22           H1*        G  22   1.121  18.547   5.483
  237    H8     G  22           H8         G  22   0.863  19.038   1.775
  238    H1     G  22           H1         G  22  -1.888  13.577   3.687
  239   1H2     G  22          1H2         G  22  -1.258  13.093   5.754
  240   2H2     G  22          2H2         G  22  -0.337  14.210   6.735
  241   1H5*    G  23          1H5*        G  23   5.569  16.983   6.740
  242   2H5*    G  23          2H5*        G  23   7.132  16.187   6.473
  243    H4*    G  23           H4*        G  23   5.662  14.837   7.965
  244    H3*    G  23           H3*        G  23   6.685  13.968   5.296
  245    H2*    G  23           H2*        G  23   5.256  12.196   5.009
  246   2HO*    G  23          2HO*        G  23   4.920  10.780   6.557
  247    H1*    G  23           H1*        G  23   3.150  12.904   6.769
  248    H8     G  23           H8         G  23   3.997  15.276   3.851
  249    H1     G  23           H1         G  23  -0.250  10.679   2.470
  250   1H2     G  23          1H2         G  23  -0.372   9.233   4.128
  251   2H2     G  23          2H2         G  23   0.615   9.366   5.566
  252   1H5*    A  24          1H5*        A  24   8.398   9.338   5.534
  253   2H5*    A  24          2H5*        A  24   7.000  10.314   5.039
  254    H4*    A  24           H4*        A  24   6.708   8.401   7.364
  255    H3*    A  24           H3*        A  24   7.257   7.757   4.504
  256    H2*    A  24           H2*        A  24   5.283   6.671   4.060
  257   2HO*    A  24          2HO*        A  24   5.811   5.594   6.441
  258    H1*    A  24           H1*        A  24   3.597   7.730   6.029
  259    H8     A  24           H8         A  24   5.168  10.420   3.854
  260   1H6     A  24          1H6         A  24   1.107   9.045  -0.571
  261   2H6     A  24          2H6         A  24   2.268  10.220   0.004
  262    H2     A  24           H2         A  24   0.591   6.062   2.717
  263   1H5*    C  25          1H5*        C  25   6.929   3.865   6.227
  264   2H5*    C  25          2H5*        C  25   7.924   2.643   5.410
  265    H4*    C  25           H4*        C  25   5.344   2.494   5.058
  266    H3*    C  25           H3*        C  25   7.544   2.501   2.988
  267    H2*    C  25           H2*        C  25   6.068   2.673   1.209
  268   2HO*    C  25          2HO*        C  25   4.991   0.682   2.146
  269    H1*    C  25           H1*        C  25   3.833   3.769   2.598
  270   1H4     C  25          1H4         C  25   5.624   7.773  -2.038
  271   2H4     C  25          2H4         C  25   6.853   8.433  -0.987
  272    H5     C  25           H5         C  25   7.209   7.653   1.266
  273    H6     C  25           H6         C  25   6.660   5.905   2.890
  274   1H5*    U  26          1H5*        U  26   5.926   0.614   0.319
  275   2H5*    U  26          2H5*        U  26   6.814  -0.916   0.173
  276    H4*    U  26           H4*        U  26   7.160   0.201  -1.913
  277    H3*    U  26           H3*        U  26   9.347   0.092   0.084
  278    H2*    U  26           H2*        U  26  10.498   1.942  -0.568
  279   2HO*    U  26          2HO*        U  26  11.353   1.106  -2.376
  280    H1*    U  26           H1*        U  26   8.649   3.048  -2.513
  281    H3     U  26           H3         U  26  10.183   6.895  -0.766
  282    H5     U  26           H5         U  26   8.863   4.772   2.625
  283    H6     U  26           H6         U  26   8.345   2.902   1.171
  284   1H5*    A  27          1H5*        A  27   8.630  -3.099  -2.776
  285   2H5*    A  27          2H5*        A  27   9.741  -4.430  -2.395
  286    H4*    A  27           H4*        A  27   9.186  -5.089  -4.538
  287    H3*    A  27           H3*        A  27  11.475  -3.164  -4.558
  288    H2*    A  27           H2*        A  27  11.344  -2.628  -6.820
  289   2HO*    A  27          2HO*        A  27   9.915  -5.073  -7.118
  290    H1*    A  27           H1*        A  27   8.677  -2.795  -7.280
  291    H8     A  27           H8         A  27   9.845  -0.992  -4.047
  292   1H6     A  27          1H6         A  27  10.525   4.039  -7.562
  293   2H6     A  27          2H6         A  27  10.729   3.362  -5.962
  294    H2     A  27           H2         A  27   9.423   0.618 -10.242
  295   1H5*    G  28          1H5*        G  28  12.854  -5.335  -7.951
  296   2H5*    G  28          2H5*        G  28  14.593  -4.984  -7.976
  297    H4*    G  28           H4*        G  28  12.935  -3.770  -9.679
  298    H3*    G  28           H3*        G  28  15.389  -2.898  -8.201
  299    H2*    G  28           H2*        G  28  15.084  -0.633  -8.535
  300   2HO*    G  28          2HO*        G  28  13.494  -1.325 -10.792
  301    H1*    G  28           H1*        G  28  12.311  -0.483  -8.779
  302    H8     G  28           H8         G  28  12.818  -2.119  -5.510
  303    H1     G  28           H1         G  28  15.086   3.876  -5.448
  304   1H2     G  28          1H2         G  28  15.131   4.688  -7.500
  305   2H2     G  28          2H2         G  28  14.794   3.699  -8.904
  306   1H5*    C  29          1H5*        C  29  15.050  -0.954 -12.207
  307   2H5*    C  29          2H5*        C  29  16.481  -1.494 -13.108
  308    H4*    C  29           H4*        C  29  16.177   0.837 -13.663
  309    H3*    C  29           H3*        C  29  18.371   0.101 -11.754
  310    H2*    C  29           H2*        C  29  18.952   2.333 -11.352
  311   2HO*    C  29          2HO*        C  29  19.028   3.089 -13.453
  312    H1*    C  29           H1*        C  29  16.435   3.438 -11.288
  313   1H4     C  29          1H4         C  29  18.359   2.250  -5.286
  314   2H4     C  29          2H4         C  29  17.921   0.567  -5.471
  315    H5     C  29           H5         C  29  17.000  -0.335  -7.496
  316    H6     C  29           H6         C  29  16.409   0.141  -9.822
  317   1H5*    A  30          1H5*        A  30  20.840   1.621 -15.290
  318   2H5*    A  30          2H5*        A  30  22.477   0.982 -15.042
  319    H4*    A  30           H4*        A  30  22.015   3.539 -14.593
  320    H3*    A  30           H3*        A  30  23.610   1.494 -13.102
  321    H2*    A  30           H2*        A  30  23.850   2.753 -11.192
  322   2HO*    A  30          2HO*        A  30  24.099   4.971 -11.232
  323    H1*    A  30           H1*        A  30  21.642   4.550 -11.537
  324    H8     A  30           H8         A  30  20.493   1.003 -11.067
  325   1H6     A  30          1H6         A  30  21.076   1.983  -4.992
  326   2H6     A  30          2H6         A  30  20.331   0.988  -6.222
  327    H2     A  30           H2         A  30  22.975   5.429  -7.144
  328   1H5*    A  31          1H5*        A  31  26.732   0.453 -12.408
  329   2H5*    A  31          2H5*        A  31  25.209   1.290 -12.069
  330    H4*    A  31           H4*        A  31  27.404   2.842 -10.999
  331    H3*    A  31           H3*        A  31  28.086   0.162 -11.056
  332    H2*    A  31           H2*        A  31  26.372  -0.751  -9.793
  333   2HO*    A  31          2HO*        A  31  28.091  -1.131  -8.434
  334    H1*    A  31           H1*        A  31  26.079   1.568  -7.949
  335    H8     A  31           H8         A  31  23.948   0.035 -10.828
  336   1H6     A  31          1H6         A  31  20.141  -1.831  -6.313
  337   2H6     A  31          2H6         A  31  20.341  -1.664  -8.043
  338    H2     A  31           H2         A  31  23.644   0.266  -4.436
  339   1H5*    A  32          1H5*        A  32  27.767   4.146  -9.770
  340   2H5*    A  32          2H5*        A  32  28.944   5.388 -10.229
  341    H4*    A  32           H4*        A  32  28.036   6.473  -8.414
  342    H3*    A  32           H3*        A  32  30.381   4.892  -7.729
  343    H2*    A  32           H2*        A  32  29.503   3.769  -5.929
  344   2HO*    A  32          2HO*        A  32  30.483   5.749  -4.972
  345    H1*    A  32           H1*        A  32  27.198   5.656  -5.584
  346    H8     A  32           H8         A  32  27.788   1.895  -6.547
  347   1H6     A  32          1H6         A  32  24.109   0.727  -1.708
  348   2H6     A  32          2H6         A  32  25.116   0.021  -2.952
  349    H2     A  32           H2         A  32  24.670   5.167  -1.995
  350   1H5*    C  33          1H5*        C  33  28.587   8.423  -7.945
  351   2H5*    C  33          2H5*        C  33  28.993   9.474  -9.316
  352    H4*    C  33           H4*        C  33  28.399  11.314  -8.124
  353    H3*    C  33           H3*        C  33  30.608  10.178  -6.490
  354    H2*    C  33           H2*        C  33  29.785  10.691  -4.433
  355   2HO*    C  33          2HO*        C  33  28.804  13.072  -5.639
  356    H1*    C  33           H1*        C  33  27.108  11.484  -5.108
  357   1H4     C  33          1H4         C  33  26.281   7.022  -0.669
  358   2H4     C  33          2H4         C  33  27.431   5.953  -1.443
  359    H5     C  33           H5         C  33  28.504   6.474  -3.537
  360    H6     C  33           H6         C  33  28.822   8.186  -5.257
  361   1H5*    G  34          1H5*        G  34  32.366  14.039  -5.391
  362   2H5*    G  34          2H5*        G  34  34.000  13.394  -5.135
  363    H4*    G  34           H4*        G  34  32.395  13.856  -3.061
  364    H3*    G  34           H3*        G  34  34.313  11.619  -3.681
  365    H2*    G  34           H2*        G  34  33.628  10.331  -1.902
  366   2HO*    G  34          2HO*        G  34  33.066  11.167   0.043
  367    H1*    G  34           H1*        G  34  31.028  11.463  -1.526
  368    H8     G  34           H8         G  34  31.768   9.587  -4.803
  369    H1     G  34           H1         G  34  30.124   5.822   0.136
  370   1H2     G  34          1H2         G  34  29.933   7.037   1.969
  371   2H2     G  34          2H2         G  34  30.364   8.731   2.020
  372   1H5*    G  35          1H5*        G  35  35.492  13.883   0.630
  373   2H5*    G  35          2H5*        G  35  37.029  13.095   1.037
  374    H4*    G  35           H4*        G  35  34.984  13.042   2.750
  375    H3*    G  35           H3*        G  35  37.105  11.063   2.000
  376    H2*    G  35           H2*        G  35  36.078   9.235   2.931
  377   2HO*    G  35          2HO*        G  35  34.938  11.111   4.724
  378    H1*    G  35           H1*        G  35  33.383  10.062   2.913
  379    H8     G  35           H8         G  35  34.972  10.013  -0.536
  380    H1     G  35           H1         G  35  33.417   4.196   1.663
  381   1H2     G  35          1H2         G  35  32.776   4.330   3.769
  382   2H2     G  35          2H2         G  35  32.919   5.808   4.693
  383   1H5*    A  36          1H5*        A  36  36.969  11.490   7.032
  384   2H5*    A  36          2H5*        A  36  38.421  10.547   7.418
  385    H4*    A  36           H4*        A  36  36.055   9.893   8.462
  386    H3*    A  36           H3*        A  36  38.358   8.238   7.441
  387    H2*    A  36           H2*        A  36  37.165   6.205   7.644
  388   2HO*    A  36          2HO*        A  36  35.620   5.901   9.084
  389    H1*    A  36           H1*        A  36  34.721   7.032   6.809
  390    H8     A  36           H8         A  36  37.158   8.729   4.514
  391   1H6     A  36          1H6         A  36  37.950   3.333   1.638
  392   2H6     A  36          2H6         A  36  38.373   5.030   1.660
  393    H2     A  36           H2         A  36  35.643   2.562   5.409
  394   1H5*    G  37          1H5*        G  37  37.199   6.223  10.587
  395   2H5*    G  37          2H5*        G  37  38.463   5.627  11.683
  396    H4*    G  37           H4*        G  37  37.167   3.745  10.706
  397    H3*    G  37           H3*        G  37  40.078   4.228  10.116
  398    H2*    G  37           H2*        G  37  40.210   2.570   8.520
  399   2HO*    G  37          2HO*        G  37  39.118   1.118  10.230
  400    H1*    G  37           H1*        G  37  37.500   2.505   7.699
  401    H8     G  37           H8         G  37  38.919   5.920   7.069
  402    H1     G  37           H1         G  37  41.087   1.526   2.935
  403   1H2     G  37          1H2         G  37  40.542  -0.498   3.635
  404   2H2     G  37          2H2         G  37  39.540  -0.763   5.043
  405   1H5*    G  38          1H5*        G  38  39.699  -0.229  11.832
  406   2H5*    G  38          2H5*        G  38  41.367  -0.639  12.280
  407    H4*    G  38           H4*        G  38  40.066  -2.064  10.435
  408    H3*    G  38           H3*        G  38  42.918  -1.159  10.709
  409    H2*    G  38           H2*        G  38  43.507  -1.633   8.545
  410   2HO*    G  38          2HO*        G  38  41.542  -3.662   8.736
  411    H1*    G  38           H1*        G  38  40.954  -1.579   7.302
  412    H8     G  38           H8         G  38  41.890   1.767   8.784
  413    H1     G  38           H1         G  38  44.942   0.482   3.294
  414   1H2     G  38          1H2         G  38  44.574  -1.614   2.701
  415   2H2     G  38          2H2         G  38  43.750  -2.748   3.747
  416   1H5*    C  39          1H5*        C  39  42.648  -5.614   9.212
  417   2H5*    C  39          2H5*        C  39  43.977  -6.416  10.071
  418    H4*    C  39           H4*        C  39  43.954  -6.936   7.611
  419    H3*    C  39           H3*        C  39  46.191  -5.558   9.070
  420    H2*    C  39           H2*        C  39  47.370  -5.033   7.164
  421   2HO*    C  39          2HO*        C  39  46.081  -7.272   5.977
  422    H1*    C  39           H1*        C  39  45.251  -5.025   5.281
  423   1H4     C  39          1H4         C  39  47.693   0.845   5.580
  424   2H4     C  39          2H4         C  39  47.013   1.081   7.173
  425    H5     C  39           H5         C  39  45.668  -0.593   8.288
  426    H6     C  39           H6         C  39  44.902  -2.915   8.220
  427   1H5*    C  40          1H5*        C  40  47.918  -8.423   5.943
  428   2H5*    C  40          2H5*        C  40  48.826  -9.538   6.984
  429    H4*    C  40           H4*        C  40  50.249  -9.070   5.098
  430    H3*    C  40           H3*        C  40  50.816  -7.750   7.724
  431    H2*    C  40           H2*        C  40  52.386  -6.281   6.936
  432   2HO*    C  40          2HO*        C  40  52.829  -8.081   4.772
  433    H1*    C  40           H1*        C  40  51.567  -6.083   4.238
  434   1H4     C  40          1H4         C  40  50.604  -0.422   7.019
  435   2H4     C  40          2H4         C  40  49.353  -1.100   8.033
  436    H5     C  40           H5         C  40  48.947  -3.463   8.200
  437    H6     C  40           H6         C  40  49.248  -5.609   7.076
  438    H3T    C  40           H3T        C  40  52.319  -9.498   6.043
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  48.486   9.446  -2.760
    2   2H5*    G   1          2H5*        G   1  47.227   8.725  -3.784
    3    H4*    G   1           H4*        G   1  49.345   7.345  -3.743
    4    H3*    G   1           H3*        G   1  46.684   6.358  -2.671
    5    H2*    G   1           H2*        G   1  47.627   4.407  -1.859
    6   2HO*    G   1          2HO*        G   1  49.075   3.268  -2.974
    7    H1*    G   1           H1*        G   1  50.339   5.292  -1.720
    8    H8     G   1           H8         G   1  48.487   7.209   0.818
    9    H1     G   1           H1         G   1  49.235   1.069   2.521
   10   1H2     G   1          1H2         G   1  49.739  -0.148   0.748
   11   2H2     G   1          2H2         G   1  50.089   0.571  -0.807
   12    H5T    G   1           H5T        G   1  46.054   8.273  -2.072
   13   1H5*    G   2          1H5*        G   2  47.242   4.023  -6.853
   14   2H5*    G   2          2H5*        G   2  45.578   3.808  -7.431
   15    H4*    G   2           H4*        G   2  46.722   1.623  -7.302
   16    H3*    G   2           H3*        G   2  44.446   2.363  -5.476
   17    H2*    G   2           H2*        G   2  44.601   0.424  -4.210
   18   2HO*    G   2          2HO*        G   2  45.079  -1.449  -5.060
   19    H1*    G   2           H1*        G   2  47.342   0.053  -4.261
   20    H8     G   2           H8         G   2  46.180   3.637  -3.528
   21    H1     G   2           H1         G   2  46.252  -0.225   1.590
   22   1H2     G   2          1H2         G   2  46.724  -2.290   0.969
   23   2H2     G   2          2H2         G   2  46.829  -2.759  -0.713
   24   1H5*    C   3          1H5*        C   3  42.648  -1.474  -7.403
   25   2H5*    C   3          2H5*        C   3  40.918  -1.264  -7.075
   26    H4*    C   3           H4*        C   3  42.295  -3.201  -5.870
   27    H3*    C   3           H3*        C   3  40.115  -1.351  -4.931
   28    H2*    C   3           H2*        C   3  40.378  -1.856  -2.710
   29   2HO*    C   3          2HO*        C   3  41.418  -4.380  -3.515
   30    H1*    C   3           H1*        C   3  43.050  -2.858  -2.763
   31   1H4     C   3          1H4         C   3  42.908   2.057   1.267
   32   2H4     C   3          2H4         C   3  42.868   3.180  -0.071
   33    H5     C   3           H5         C   3  42.885   2.473  -2.382
   34    H6     C   3           H6         C   3  42.689   0.552  -3.891
   35   1H5*    C   4          1H5*        C   4  39.339  -5.485  -3.213
   36   2H5*    C   4          2H5*        C   4  37.596  -5.742  -3.425
   37    H4*    C   4           H4*        C   4  38.283  -6.201  -1.084
   38    H3*    C   4           H3*        C   4  36.443  -3.956  -1.866
   39    H2*    C   4           H2*        C   4  36.472  -2.944   0.184
   40   2HO*    C   4          2HO*        C   4  36.069  -4.068   1.916
   41    H1*    C   4           H1*        C   4  38.876  -4.043   1.245
   42   1H4     C   4          1H4         C   4  39.700   2.256   1.239
   43   2H4     C   4          2H4         C   4  39.428   2.345  -0.486
   44    H5     C   4           H5         C   4  38.979   0.402  -1.851
   45    H6     C   4           H6         C   4  38.617  -2.017  -1.839
   46   1H5*    U   5          1H5*        U   5  34.088  -6.491   1.788
   47   2H5*    U   5          2H5*        U   5  32.493  -5.782   1.473
   48    H4*    U   5           H4*        U   5  33.584  -5.532   3.872
   49    H3*    U   5           H3*        U   5  32.065  -3.601   2.138
   50    H2*    U   5           H2*        U   5  32.576  -1.759   3.394
   51   2HO*    U   5          2HO*        U   5  32.724  -3.568   5.573
   52    H1*    U   5           H1*        U   5  34.930  -2.676   4.693
   53    H3     U   5           H3         U   5  35.912   1.482   3.185
   54    H5     U   5           H5         U   5  35.433  -0.799  -0.329
   55    H6     U   5           H6         U   5  34.751  -2.664   1.054
   56   1H5*    C   6          1H5*        C   6  30.799  -3.581   6.634
   57   2H5*    C   6          2H5*        C   6  29.047  -3.303   6.642
   58    H4*    C   6           H4*        C   6  30.203  -1.832   8.283
   59    H3*    C   6           H3*        C   6  28.749  -0.783   5.863
   60    H2*    C   6           H2*        C   6  29.439   1.384   6.171
   61   2HO*    C   6          2HO*        C   6  29.791   0.754   8.924
   62    H1*    C   6           H1*        C   6  31.834   0.933   7.614
   63   1H4     C   6          1H4         C   6  33.328   3.653   2.060
   64   2H4     C   6          2H4         C   6  32.880   2.204   1.192
   65    H5     C   6           H5         C   6  32.115   0.197   2.293
   66    H6     C   6           H6         C   6  31.386  -0.763   4.431
   67   1H5*    C   7          1H5*        C   7  27.669   1.855   9.400
   68   2H5*    C   7          2H5*        C   7  25.895   1.875   9.347
   69    H4*    C   7           H4*        C   7  26.626   4.168   9.614
   70    H3*    C   7           H3*        C   7  25.606   3.272   6.924
   71    H2*    C   7           H2*        C   7  26.132   5.263   5.876
   72   2HO*    C   7          2HO*        C   7  25.251   6.288   8.165
   73    H1*    C   7           H1*        C   7  28.322   6.059   7.459
   74   1H4     C   7          1H4         C   7  30.342   4.613   1.596
   75   2H4     C   7          2H4         C   7  30.145   2.907   1.918
   76    H5     C   7           H5         C   7  29.030   2.063   3.891
   77    H6     C   7           H6         C   7  28.096   2.665   6.072
   78   1H5*    A   8          1H5*        A   8  23.457   6.982   6.577
   79   2H5*    A   8          2H5*        A   8  22.108   6.419   5.573
   80    H4*    A   8           H4*        A   8  24.015   7.936   4.524
   81    H3*    A   8           H3*        A   8  22.297   5.754   3.533
   82    H2*    A   8           H2*        A   8  23.691   4.823   1.991
   83   2HO*    A   8          2HO*        A   8  23.478   7.102   0.980
   84    H1*    A   8           H1*        A   8  26.187   6.110   2.567
   85    H8     A   8           H8         A   8  24.574   3.581   4.973
   86   1H6     A   8          1H6         A   8  27.884  -0.713   2.009
   87   2H6     A   8          2H6         A   8  26.938  -0.363   3.438
   88    H2     A   8           H2         A   8  28.399   3.187  -0.148
   89   1H5*    G   9          1H5*        G   9  21.955  10.013   1.303
   90   2H5*    G   9          2H5*        G   9  20.274  10.290   0.803
   91    H4*    G   9           H4*        G   9  22.121  10.822  -0.940
   92    H3*    G   9           H3*        G   9  19.647   9.135  -1.234
   93    H2*    G   9           H2*        G   9  20.160   8.463  -3.411
   94   2HO*    G   9          2HO*        G   9  21.195   9.702  -4.780
   95    H1*    G   9           H1*        G   9  22.905   8.163  -3.107
   96    H8     G   9           H8         G   9  21.910   6.462  -0.078
   97    H1     G   9           H1         G   9  19.479   3.405  -5.168
   98   1H2     G   9          1H2         G   9  19.591   4.688  -6.954
   99   2H2     G   9          2H2         G   9  20.229   6.317  -6.903
  100   1H5*    C  10          1H5*        C  10  19.739  11.257  -4.697
  101   2H5*    C  10          2H5*        C  10  18.260  12.183  -5.019
  102    H4*    C  10           H4*        C  10  18.882  10.769  -6.968
  103    H3*    C  10           H3*        C  10  16.368  10.405  -5.363
  104    H2*    C  10           H2*        C  10  15.768   8.420  -6.360
  105   2HO*    C  10          2HO*        C  10  17.270   9.327  -8.594
  106    H1*    C  10           H1*        C  10  18.305   7.493  -7.190
  107   1H4     C  10          1H4         C  10  16.070   3.467  -2.786
  108   2H4     C  10          2H4         C  10  16.375   4.635  -1.522
  109    H5     C  10           H5         C  10  17.355   6.799  -1.944
  110    H6     C  10           H6         C  10  18.037   8.389  -3.678
  111   1H5*    G  11          1H5*        G  11  14.869   9.847  -9.340
  112   2H5*    G  11          2H5*        G  11  13.245  10.561  -9.388
  113    H4*    G  11           H4*        G  11  13.308   8.051  -9.802
  114    H3*    G  11           H3*        G  11  11.736   9.513  -7.701
  115    H2*    G  11           H2*        G  11  11.128   7.628  -6.535
  116   2HO*    G  11          2HO*        G  11  10.283   6.824  -8.726
  117    H1*    G  11           H1*        G  11  13.157   5.830  -7.408
  118    H8     G  11           H8         G  11  14.001   9.038  -5.410
  119    H1     G  11           H1         G  11  12.740   3.864  -1.838
  120   1H2     G  11          1H2         G  11  11.993   2.228  -3.116
  121   2H2     G  11          2H2         G  11  11.989   2.333  -4.862
  122   1H5*    A  12          1H5*        A  12  10.193   7.558 -11.208
  123   2H5*    A  12          2H5*        A  12   9.212   8.547 -12.308
  124    H4*    A  12           H4*        A  12   8.479   6.397 -12.878
  125    H3*    A  12           H3*        A  12   6.815   7.790 -10.831
  126    H2*    A  12           H2*        A  12   5.723   5.942 -10.018
  127   2HO*    A  12          2HO*        A  12   4.873   5.387 -12.073
  128    H1*    A  12           H1*        A  12   7.541   3.894 -10.625
  129    H8     A  12           H8         A  12   7.966   7.194  -8.551
  130   1H6     A  12          1H6         A  12   7.815   3.473  -3.625
  131   2H6     A  12          2H6         A  12   8.090   5.108  -4.186
  132    H2     A  12           H2         A  12   7.416   0.927  -7.294
  133   1H5*    C  13          1H5*        C  13   4.826  11.148 -12.076
  134   2H5*    C  13          2H5*        C  13   6.286  11.475 -11.121
  135    H4*    C  13           H4*        C  13   4.176   9.429 -10.304
  136    H3*    C  13           H3*        C  13   3.977  12.291 -10.354
  137    H2*    C  13           H2*        C  13   5.306  12.752  -8.513
  138   2HO*    C  13          2HO*        C  13   3.259  13.123  -7.638
  139    H1*    C  13           H1*        C  13   4.767  10.059  -7.277
  140   1H4     C  13          1H4         C  13  10.640  12.603  -5.415
  141   2H4     C  13          2H4         C  13   9.989  11.789  -4.011
  142    H5     C  13           H5         C  13   7.803  10.730  -3.988
  143    H6     C  13           H6         C  13   5.872  10.131  -5.327
  144   1H5*    G  14          1H5*        G  14   2.410   7.529 -11.698
  145   2H5*    G  14          2H5*        G  14   0.724   7.788 -11.208
  146    H4*    G  14           H4*        G  14   1.313   5.481 -10.711
  147    H3*    G  14           H3*        G  14   0.855   7.494  -8.555
  148    H2*    G  14           H2*        G  14   1.789   6.287  -6.837
  149   2HO*    G  14          2HO*        G  14   0.968   3.992  -8.303
  150    H1*    G  14           H1*        G  14   3.432   4.479  -8.288
  151    H8     G  14           H8         G  14   4.822   7.800  -9.020
  152    H1     G  14           H1         G  14   5.806   6.178  -2.899
  153   1H2     G  14          1H2         G  14   4.599   4.404  -2.382
  154   2H2     G  14          2H2         G  14   3.408   3.732  -3.473
  155   1H5*    G  15          1H5*        G  15  -0.609   4.320  -6.641
  156   2H5*    G  15          2H5*        G  15  -2.335   4.511  -6.282
  157    H4*    G  15           H4*        G  15  -1.359   4.019  -4.174
  158    H3*    G  15           H3*        G  15  -1.887   6.936  -4.718
  159    H2*    G  15           H2*        G  15  -0.725   7.664  -2.868
  160   2HO*    G  15          2HO*        G  15  -0.626   6.458  -0.953
  161    H1*    G  15           H1*        G  15   0.913   5.345  -2.443
  162    H8     G  15           H8         G  15   3.042   6.693  -1.959
  163    H1     G  15           H1         G  15   2.037  10.685  -6.863
  164   1H2     G  15          1H2         G  15   0.197  10.136  -7.932
  165   2H2     G  15          2H2         G  15  -0.903   8.914  -7.333
  166   1H5*    C  16          1H5*        C  16  -4.648   4.688  -1.572
  167   2H5*    C  16          2H5*        C  16  -5.946   5.645  -0.831
  168    H4*    C  16           H4*        C  16  -4.440   4.366   0.806
  169    H3*    C  16           H3*        C  16  -5.047   7.322   0.805
  170    H2*    C  16           H2*        C  16  -3.619   7.753   2.598
  171   2HO*    C  16          2HO*        C  16  -4.303   6.134   3.992
  172    H1*    C  16           H1*        C  16  -1.583   6.009   1.971
  173   1H4     C  16          1H4         C  16  -0.065  11.949   0.111
  174   2H4     C  16          2H4         C  16  -1.189  11.839  -1.222
  175    H5     C  16           H5         C  16  -2.488   9.863  -1.700
  176    H6     C  16           H6         C  16  -3.064   7.624  -0.937
  177   1H5*    C  17          1H5*        C  17  -6.918   6.624   5.093
  178   2H5*    C  17          2H5*        C  17  -7.858   8.127   5.104
  179    H4*    C  17           H4*        C  17  -5.785   7.787   6.759
  180    H3*    C  17           H3*        C  17  -6.663  10.220   5.169
  181    H2*    C  17           H2*        C  17  -4.910  11.471   6.039
  182   2HO*    C  17          2HO*        C  17  -3.888  11.011   7.926
  183    H1*    C  17           H1*        C  17  -3.005   9.428   6.102
  184   1H4     C  17          1H4         C  17  -1.903  13.513   1.300
  185   2H4     C  17          2H4         C  17  -3.012  12.624   0.286
  186    H5     C  17           H5         C  17  -4.191  10.655   1.037
  187    H6     C  17           H6         C  17  -4.724   9.262   2.972
  188   1H5*    U  18          1H5*        U  18  -5.470  12.492   8.182
  189   2H5*    U  18          2H5*        U  18  -6.810  13.617   8.476
  190    H4*    U  18           H4*        U  18  -4.725  14.731   7.590
  191    H3*    U  18           H3*        U  18  -7.450  14.742   6.355
  192    H2*    U  18           H2*        U  18  -6.768  15.747   4.392
  193   2HO*    U  18          2HO*        U  18  -4.864  17.010   6.040
  194    H1*    U  18           H1*        U  18  -3.980  15.030   4.494
  195    H3     U  18           H3         U  18  -5.207  13.958   0.249
  196    H5     U  18           H5         U  18  -7.469  11.352   2.669
  197    H6     U  18           H6         U  18  -6.635  12.528   4.609
  198   1H5*    U  19          1H5*        U  19  -8.852  19.488   8.409
  199   2H5*    U  19          2H5*        U  19  -9.295  19.865   6.732
  200    H4*    U  19           H4*        U  19  -8.164  21.823   7.540
  201    H3*    U  19           H3*        U  19  -7.181  20.279   5.422
  202    H2*    U  19           H2*        U  19  -5.234  19.424   6.358
  203   2HO*    U  19          2HO*        U  19  -4.601  22.160   5.943
  204    H1*    U  19           H1*        U  19  -4.803  21.670   8.283
  205    H3     U  19           H3         U  19  -2.592  19.232  11.346
  206    H5     U  19           H5         U  19  -4.196  16.315   8.768
  207    H6     U  19           H6         U  19  -5.295  18.070   7.549
  208   1H5*    C  20          1H5*        C  20  -4.924  20.555   3.891
  209   2H5*    C  20          2H5*        C  20  -4.811  22.153   3.126
  210    H4*    C  20           H4*        C  20  -4.053  20.731   1.412
  211    H3*    C  20           H3*        C  20  -6.449  22.043   1.046
  212    H2*    C  20           H2*        C  20  -7.876  20.273   1.576
  213   2HO*    C  20          2HO*        C  20  -8.444  20.700  -0.546
  214    H1*    C  20           H1*        C  20  -6.171  18.207   0.224
  215   1H4     C  20          1H4         C  20  -9.504  14.331   3.968
  216   2H4     C  20          2H4         C  20  -9.874  15.618   5.093
  217    H5     C  20           H5         C  20  -8.957  17.843   4.878
  218    H6     C  20           H6         C  20  -7.629  19.331   3.469
  219   1H5*    G  21          1H5*        G  21  -1.548  21.791  -0.050
  220   2H5*    G  21          2H5*        G  21  -2.158  20.759   1.253
  221    H4*    G  21           H4*        G  21  -1.431  23.714   1.545
  222    H3*    G  21           H3*        G  21   0.048  21.141   1.819
  223    H2*    G  21           H2*        G  21   0.546  21.324   4.043
  224   2HO*    G  21          2HO*        G  21   0.524  24.155   3.694
  225    H1*    G  21           H1*        G  21  -1.351  23.254   4.900
  226    H8     G  21           H8         G  21  -1.336  21.767   7.068
  227    H1     G  21           H1         G  21  -3.328  16.662   3.744
  228   1H2     G  21          1H2         G  21  -3.191  17.062   1.581
  229   2H2     G  21          2H2         G  21  -2.830  18.652   0.948
  230   1H5*    G  22          1H5*        G  22   4.614  21.027   2.795
  231   2H5*    G  22          2H5*        G  22   3.195  20.104   2.259
  232    H4*    G  22           H4*        G  22   3.796  21.002   5.118
  233    H3*    G  22           H3*        G  22   4.222  18.552   3.475
  234    H2*    G  22           H2*        G  22   3.023  17.078   4.792
  235   2HO*    G  22          2HO*        G  22   3.369  17.101   6.851
  236    H1*    G  22           H1*        G  22   1.053  18.693   5.821
  237    H8     G  22           H8         G  22   1.254  19.502   2.158
  238    H1     G  22           H1         G  22  -1.421  13.783   3.245
  239   1H2     G  22          1H2         G  22  -1.056  13.158   5.335
  240   2H2     G  22          2H2         G  22  -0.336  14.228   6.517
  241   1H5*    G  23          1H5*        G  23   5.454  17.154   7.387
  242   2H5*    G  23          2H5*        G  23   7.077  16.456   7.218
  243    H4*    G  23           H4*        G  23   5.507  14.843   8.277
  244    H3*    G  23           H3*        G  23   6.849  14.427   5.632
  245    H2*    G  23           H2*        G  23   5.554  12.653   4.969
  246   2HO*    G  23          2HO*        G  23   5.239  11.014   6.260
  247    H1*    G  23           H1*        G  23   3.270  13.034   6.625
  248    H8     G  23           H8         G  23   4.189  15.745   4.044
  249    H1     G  23           H1         G  23   0.397  11.075   1.832
  250   1H2     G  23          1H2         G  23   0.177   9.492   3.356
  251   2H2     G  23          2H2         G  23   1.117   9.480   4.832
  252   1H5*    A  24          1H5*        A  24   8.793   9.733   5.622
  253   2H5*    A  24          2H5*        A  24   7.426  10.694   5.017
  254    H4*    A  24           H4*        A  24   6.955   8.615   7.169
  255    H3*    A  24           H3*        A  24   7.789   8.208   4.331
  256    H2*    A  24           H2*        A  24   5.903   7.094   3.634
  257   2HO*    A  24          2HO*        A  24   5.100   5.507   4.771
  258    H1*    A  24           H1*        A  24   4.007   7.977   5.498
  259    H8     A  24           H8         A  24   5.641  10.884   3.702
  260   1H6     A  24          1H6         A  24   2.168   9.649  -1.241
  261   2H6     A  24          2H6         A  24   3.194  10.831  -0.463
  262    H2     A  24           H2         A  24   1.488   6.393   1.742
  263   1H5*    C  25          1H5*        C  25   7.194   4.134   5.862
  264   2H5*    C  25          2H5*        C  25   8.195   2.966   4.976
  265    H4*    C  25           H4*        C  25   5.553   2.920   4.673
  266    H3*    C  25           H3*        C  25   7.816   2.635   2.704
  267    H2*    C  25           H2*        C  25   6.456   2.853   0.834
  268   2HO*    C  25          2HO*        C  25   4.453   1.723   2.495
  269    H1*    C  25           H1*        C  25   4.263   4.223   1.999
  270   1H4     C  25          1H4         C  25   6.886   7.852  -2.561
  271   2H4     C  25          2H4         C  25   8.006   8.492  -1.381
  272    H5     C  25           H5         C  25   8.021   7.795   0.924
  273    H6     C  25           H6         C  25   7.166   6.155   2.527
  274   1H5*    U  26          1H5*        U  26   6.081   0.729  -0.062
  275   2H5*    U  26          2H5*        U  26   6.811  -0.888   0.005
  276    H4*    U  26           H4*        U  26   7.445  -0.040  -2.131
  277    H3*    U  26           H3*        U  26   9.429  -0.114   0.060
  278    H2*    U  26           H2*        U  26  10.795   1.569  -0.629
  279   2HO*    U  26          2HO*        U  26  11.727   0.541  -2.285
  280    H1*    U  26           H1*        U  26   9.243   2.685  -2.797
  281    H3     U  26           H3         U  26  10.542   6.633  -1.132
  282    H5     U  26           H5         U  26   9.407   4.511   2.325
  283    H6     U  26           H6         U  26   8.873   2.617   0.908
  284   1H5*    A  27          1H5*        A  27   8.949  -3.617  -2.748
  285   2H5*    A  27          2H5*        A  27  10.062  -4.858  -2.138
  286    H4*    A  27           H4*        A  27   9.802  -5.676  -4.287
  287    H3*    A  27           H3*        A  27  12.015  -3.668  -4.135
  288    H2*    A  27           H2*        A  27  12.173  -3.283  -6.425
  289   2HO*    A  27          2HO*        A  27  11.968  -4.844  -7.840
  290    H1*    A  27           H1*        A  27   9.594  -3.578  -7.218
  291    H8     A  27           H8         A  27  10.260  -1.537  -3.988
  292   1H6     A  27          1H6         A  27  11.370   3.271  -7.701
  293   2H6     A  27          2H6         A  27  11.335   2.707  -6.046
  294    H2     A  27           H2         A  27  10.690  -0.337 -10.275
  295   1H5*    G  28          1H5*        G  28  13.909  -5.938  -7.141
  296   2H5*    G  28          2H5*        G  28  15.625  -5.528  -6.957
  297    H4*    G  28           H4*        G  28  14.164  -4.447  -8.915
  298    H3*    G  28           H3*        G  28  16.386  -3.429  -7.185
  299    H2*    G  28           H2*        G  28  16.075  -1.195  -7.679
  300   2HO*    G  28          2HO*        G  28  15.567  -0.497  -9.634
  301    H1*    G  28           H1*        G  28  13.343  -1.136  -8.228
  302    H8     G  28           H8         G  28  13.468  -2.643  -4.879
  303    H1     G  28           H1         G  28  15.705   3.362  -4.737
  304   1H2     G  28          1H2         G  28  15.996   4.107  -6.796
  305   2H2     G  28          2H2         G  28  15.831   3.071  -8.195
  306   1H5*    C  29          1H5*        C  29  16.583  -1.739 -11.328
  307   2H5*    C  29          2H5*        C  29  18.161  -2.234 -11.970
  308    H4*    C  29           H4*        C  29  17.802   0.066 -12.661
  309    H3*    C  29           H3*        C  29  19.780  -0.511 -10.479
  310    H2*    C  29           H2*        C  29  20.223   1.762 -10.114
  311   2HO*    C  29          2HO*        C  29  20.497   2.789 -11.944
  312    H1*    C  29           H1*        C  29  17.667   2.748 -10.379
  313   1H4     C  29          1H4         C  29  18.977   1.863  -4.158
  314   2H4     C  29          2H4         C  29  18.595   0.163  -4.315
  315    H5     C  29           H5         C  29  17.924  -0.845  -6.390
  316    H6     C  29           H6         C  29  17.566  -0.474  -8.782
  317   1H5*    A  30          1H5*        A  30  22.601   0.962 -13.779
  318   2H5*    A  30          2H5*        A  30  24.218   0.407 -13.301
  319    H4*    A  30           H4*        A  30  23.595   2.962 -13.035
  320    H3*    A  30           H3*        A  30  25.101   1.059 -11.287
  321    H2*    A  30           H2*        A  30  25.058   2.395  -9.414
  322   2HO*    A  30          2HO*        A  30  26.184   4.083 -10.523
  323    H1*    A  30           H1*        A  30  22.820   4.062 -10.076
  324    H8     A  30           H8         A  30  21.765   0.494  -9.621
  325   1H6     A  30          1H6         A  30  21.678   1.630  -3.546
  326   2H6     A  30          2H6         A  30  21.093   0.584  -4.822
  327    H2     A  30           H2         A  30  23.693   5.082  -5.575
  328   1H5*    A  31          1H5*        A  31  28.176   0.140 -10.278
  329   2H5*    A  31          2H5*        A  31  26.594   0.919 -10.109
  330    H4*    A  31           H4*        A  31  28.628   2.568  -8.862
  331    H3*    A  31           H3*        A  31  29.374  -0.090  -8.774
  332    H2*    A  31           H2*        A  31  27.555  -1.021  -7.682
  333   2HO*    A  31          2HO*        A  31  29.066   0.183  -5.595
  334    H1*    A  31           H1*        A  31  26.993   1.323  -5.937
  335    H8     A  31           H8         A  31  25.246  -0.314  -9.012
  336   1H6     A  31          1H6         A  31  20.985  -2.190  -4.929
  337   2H6     A  31          2H6         A  31  21.431  -2.134  -6.620
  338    H2     A  31           H2         A  31  24.198   0.016  -2.701
  339   1H5*    A  32          1H5*        A  32  28.790   3.889  -7.646
  340   2H5*    A  32          2H5*        A  32  29.959   5.166  -8.018
  341    H4*    A  32           H4*        A  32  28.808   6.259  -6.349
  342    H3*    A  32           H3*        A  32  31.137   4.813  -5.369
  343    H2*    A  32           H2*        A  32  30.122   3.693  -3.644
  344   2HO*    A  32          2HO*        A  32  30.051   4.861  -1.849
  345    H1*    A  32           H1*        A  32  27.713   5.481  -3.596
  346    H8     A  32           H8         A  32  28.554   1.733  -4.395
  347   1H6     A  32          1H6         A  32  24.428   0.499   0.050
  348   2H6     A  32          2H6         A  32  25.590  -0.186  -1.063
  349    H2     A  32           H2         A  32  24.838   4.953  -0.279
  350   1H5*    C  33          1H5*        C  33  29.241   8.217  -5.892
  351   2H5*    C  33          2H5*        C  33  29.740   9.187  -7.292
  352    H4*    C  33           H4*        C  33  28.952  11.077  -6.309
  353    H3*    C  33           H3*        C  33  31.035  10.173  -4.401
  354    H2*    C  33           H2*        C  33  29.986  10.712  -2.457
  355   2HO*    C  33          2HO*        C  33  29.354  12.716  -2.105
  356    H1*    C  33           H1*        C  33  27.350  11.328  -3.397
  357   1H4     C  33          1H4         C  33  26.331   6.930   1.070
  358   2H4     C  33          2H4         C  33  27.602   5.908   0.437
  359    H5     C  33           H5         C  33  28.846   6.441  -1.556
  360    H6     C  33           H6         C  33  29.237   8.124  -3.288
  361   1H5*    G  34          1H5*        G  34  32.725  14.191  -3.486
  362   2H5*    G  34          2H5*        G  34  34.320  13.517  -3.103
  363    H4*    G  34           H4*        G  34  32.625  14.195  -1.156
  364    H3*    G  34           H3*        G  34  34.543  11.894  -1.485
  365    H2*    G  34           H2*        G  34  33.734  10.742   0.325
  366   2HO*    G  34          2HO*        G  34  33.861  11.871   2.086
  367    H1*    G  34           H1*        G  34  31.134  11.914   0.490
  368    H8     G  34           H8         G  34  32.105   9.827  -2.604
  369    H1     G  34           H1         G  34  29.981   6.412   2.400
  370   1H2     G  34          1H2         G  34  29.775   7.723   4.164
  371   2H2     G  34          2H2         G  34  29.955   9.460   4.063
  372   1H5*    G  35          1H5*        G  35  35.806  14.154   2.872
  373   2H5*    G  35          2H5*        G  35  37.321  13.257   3.089
  374    H4*    G  35           H4*        G  35  35.426  13.192   4.964
  375    H3*    G  35           H3*        G  35  37.270  11.067   3.871
  376    H2*    G  35           H2*        G  35  36.244   9.362   5.061
  377   2HO*    G  35          2HO*        G  35  35.465   9.623   7.034
  378    H1*    G  35           H1*        G  35  33.631  10.382   5.162
  379    H8     G  35           H8         G  35  35.046  10.231   1.631
  380    H1     G  35           H1         G  35  32.963   4.583   3.843
  381   1H2     G  35          1H2         G  35  32.460   4.748   5.983
  382   2H2     G  35          2H2         G  35  32.817   6.182   6.918
  383   1H5*    A  36          1H5*        A  36  37.686  10.909   8.424
  384   2H5*    A  36          2H5*        A  36  39.178  10.014   8.770
  385    H4*    A  36           H4*        A  36  36.796   9.015   9.452
  386    H3*    A  36           H3*        A  36  39.298   7.745   8.353
  387    H2*    A  36           H2*        A  36  38.304   5.709   7.987
  388   2HO*    A  36          2HO*        A  36  36.991   6.363  10.313
  389    H1*    A  36           H1*        A  36  35.579   6.593   7.755
  390    H8     A  36           H8         A  36  37.774   8.070   5.074
  391   1H6     A  36          1H6         A  36  36.848   2.856   1.897
  392   2H6     A  36          2H6         A  36  37.322   4.537   1.797
  393    H2     A  36           H2         A  36  35.314   2.227   6.066
  394   1H5*    G  37          1H5*        G  37  39.167   5.054  12.155
  395   2H5*    G  37          2H5*        G  37  40.866   4.541  12.112
  396    H4*    G  37           H4*        G  37  38.920   2.802  11.591
  397    H3*    G  37           H3*        G  37  41.644   3.231  10.373
  398    H2*    G  37           H2*        G  37  41.254   1.833   8.597
  399   2HO*    G  37          2HO*        G  37  40.208  -0.067   8.787
  400    H1*    G  37           H1*        G  37  38.388   1.832   8.640
  401    H8     G  37           H8         G  37  40.349   5.039   7.761
  402    H1     G  37           H1         G  37  39.181   1.132   2.814
  403   1H2     G  37          1H2         G  37  38.378  -0.788   3.549
  404   2H2     G  37          2H2         G  37  38.292  -1.171   5.253
  405   1H5*    G  38          1H5*        G  38  40.888  -1.181  11.143
  406   2H5*    G  38          2H5*        G  38  42.402  -1.852  11.781
  407    H4*    G  38           H4*        G  38  41.574  -3.282   9.962
  408    H3*    G  38           H3*        G  38  44.064  -1.619   9.658
  409    H2*    G  38           H2*        G  38  44.289  -2.026   7.410
  410   2HO*    G  38          2HO*        G  38  44.090  -3.977   6.599
  411    H1*    G  38           H1*        G  38  41.597  -2.723   6.781
  412    H8     G  38           H8         G  38  42.744   0.757   8.090
  413    H1     G  38           H1         G  38  42.526   0.132   1.716
  414   1H2     G  38          1H2         G  38  42.038  -1.953   1.178
  415   2H2     G  38          2H2         G  38  41.951  -3.227   2.373
  416   1H5*    C  39          1H5*        C  39  44.621  -5.871   8.180
  417   2H5*    C  39          2H5*        C  39  46.217  -6.415   8.728
  418    H4*    C  39           H4*        C  39  45.982  -6.976   6.364
  419    H3*    C  39           H3*        C  39  47.814  -4.726   7.194
  420    H2*    C  39           H2*        C  39  48.289  -4.122   5.020
  421   2HO*    C  39          2HO*        C  39  47.603  -6.789   4.304
  422    H1*    C  39           H1*        C  39  45.922  -5.088   3.773
  423   1H4     C  39          1H4         C  39  45.978   1.205   2.951
  424   2H4     C  39          2H4         C  39  45.629   1.463   4.644
  425    H5     C  39           H5         C  39  45.664  -0.312   6.278
  426    H6     C  39           H6         C  39  45.873  -2.734   6.606
  427   1H5*    C  40          1H5*        C  40  49.995  -7.615   4.346
  428   2H5*    C  40          2H5*        C  40  51.711  -7.543   4.787
  429    H4*    C  40           H4*        C  40  51.232  -7.058   2.338
  430    H3*    C  40           H3*        C  40  52.664  -5.294   4.294
  431    H2*    C  40           H2*        C  40  52.717  -3.443   2.943
  432   2HO*    C  40          2HO*        C  40  53.863  -4.442   1.271
  433    H1*    C  40           H1*        C  40  50.522  -4.014   1.241
  434   1H4     C  40          1H4         C  40  48.976   1.260   4.449
  435   2H4     C  40          2H4         C  40  49.314   0.493   5.983
  436    H5     C  40           H5         C  40  50.049  -1.801   6.178
  437    H6     C  40           H6         C  40  50.507  -3.865   4.950
  438    H3T    C  40           H3T        C  40  54.378  -6.036   3.198
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  53.761   6.671   1.686
    2   2H5*    G   1          2H5*        G   1  52.567   6.145   0.482
    3    H4*    G   1           H4*        G   1  54.638   4.743   0.369
    4    H3*    G   1           H3*        G   1  51.987   3.596   1.313
    5    H2*    G   1           H2*        G   1  52.975   1.466   1.620
    6   2HO*    G   1          2HO*        G   1  55.099   2.427  -0.014
    7    H1*    G   1           H1*        G   1  55.458   2.319   2.481
    8    H8     G   1           H8         G   1  53.884   4.225   4.904
    9    H1     G   1           H1         G   1  51.532  -1.715   5.455
   10   1H2     G   1          1H2         G   1  51.868  -2.836   3.571
   11   2H2     G   1          2H2         G   1  52.851  -2.200   2.273
   12    H5T    G   1           H5T        G   1  52.164   6.447   3.014
   13   1H5*    G   2          1H5*        G   2  52.369   1.524  -2.832
   14   2H5*    G   2          2H5*        G   2  50.715   1.500  -3.477
   15    H4*    G   2           H4*        G   2  51.715  -0.805  -3.232
   16    H3*    G   2           H3*        G   2  49.287   0.155  -1.713
   17    H2*    G   2           H2*        G   2  49.000  -1.977  -0.713
   18   2HO*    G   2          2HO*        G   2  49.852  -3.791  -1.497
   19    H1*    G   2           H1*        G   2  51.628  -2.310  -0.020
   20    H8     G   2           H8         G   2  51.252   1.311   0.441
   21    H1     G   2           H1         G   2  47.475  -1.823   4.561
   22   1H2     G   2          1H2         G   2  47.405  -3.968   4.042
   23   2H2     G   2          2H2         G   2  48.121  -4.598   2.576
   24   1H5*    C   3          1H5*        C   3  47.491  -2.796  -4.744
   25   2H5*    C   3          2H5*        C   3  45.757  -2.468  -4.929
   26    H4*    C   3           H4*        C   3  46.471  -4.667  -3.710
   27    H3*    C   3           H3*        C   3  44.422  -2.592  -2.973
   28    H2*    C   3           H2*        C   3  43.982  -3.500  -0.879
   29   2HO*    C   3          2HO*        C   3  45.258  -5.902  -1.717
   30    H1*    C   3           H1*        C   3  46.500  -4.446  -0.225
   31   1H4     C   3          1H4         C   3  45.251   1.056   2.856
   32   2H4     C   3          2H4         C   3  46.124   1.908   1.603
   33    H5     C   3           H5         C   3  47.096   0.802  -0.303
   34    H6     C   3           H6         C   3  47.262  -1.310  -1.526
   35   1H5*    C   4          1H5*        C   4  41.730  -5.973  -2.929
   36   2H5*    C   4          2H5*        C   4  40.087  -5.327  -3.112
   37    H4*    C   4           H4*        C   4  41.014  -6.063  -0.714
   38    H3*    C   4           H3*        C   4  39.265  -3.779  -1.619
   39    H2*    C   4           H2*        C   4  39.353  -2.694   0.403
   40   2HO*    C   4          2HO*        C   4  38.749  -3.830   2.045
   41    H1*    C   4           H1*        C   4  41.783  -3.837   1.416
   42   1H4     C   4          1H4         C   4  42.192   2.550   1.084
   43   2H4     C   4          2H4         C   4  42.954   2.371  -0.479
   44    H5     C   4           H5         C   4  43.366   0.210  -1.495
   45    H6     C   4           H6         C   4  42.777  -2.163  -1.437
   46   1H5*    U   5          1H5*        U   5  37.386  -5.598   2.203
   47   2H5*    U   5          2H5*        U   5  35.711  -5.861   1.676
   48    H4*    U   5           H4*        U   5  35.755  -4.793   3.906
   49    H3*    U   5           H3*        U   5  34.706  -3.414   1.451
   50    H2*    U   5           H2*        U   5  34.512  -1.344   2.434
   51   2HO*    U   5          2HO*        U   5  33.298  -1.413   4.141
   52    H1*    U   5           H1*        U   5  36.419  -1.599   4.515
   53    H3     U   5           H3         U   5  37.360   2.320   2.435
   54    H5     U   5           H5         U   5  38.494  -0.632  -0.349
   55    H6     U   5           H6         U   5  37.507  -2.296   1.114
   56   1H5*    C   6          1H5*        C   6  31.352  -3.386   5.039
   57   2H5*    C   6          2H5*        C   6  29.874  -2.895   4.189
   58    H4*    C   6           H4*        C   6  30.766  -1.485   6.266
   59    H3*    C   6           H3*        C   6  29.485  -0.729   3.661
   60    H2*    C   6           H2*        C   6  30.002   1.503   3.787
   61   2HO*    C   6          2HO*        C   6  29.640   2.589   5.551
   62    H1*    C   6           H1*        C   6  32.260   1.427   5.476
   63   1H4     C   6          1H4         C   6  34.017   3.550  -0.276
   64   2H4     C   6          2H4         C   6  33.806   1.957  -0.963
   65    H5     C   6           H5         C   6  33.149   0.038   0.346
   66    H6     C   6           H6         C   6  32.326  -0.714   2.530
   67   1H5*    C   7          1H5*        C   7  27.893   1.977   7.013
   68   2H5*    C   7          2H5*        C   7  26.145   2.050   6.723
   69    H4*    C   7           H4*        C   7  27.095   4.322   7.057
   70    H3*    C   7           H3*        C   7  25.872   3.397   4.470
   71    H2*    C   7           H2*        C   7  26.517   5.254   3.274
   72   2HO*    C   7          2HO*        C   7  26.631   6.677   5.738
   73    H1*    C   7           H1*        C   7  28.751   6.078   4.818
   74   1H4     C   7          1H4         C   7  30.754   4.493  -1.023
   75   2H4     C   7          2H4         C   7  30.541   2.796  -0.660
   76    H5     C   7           H5         C   7  29.361   2.014   1.304
   77    H6     C   7           H6         C   7  28.472   2.663   3.487
   78   1H5*    A   8          1H5*        A   8  23.831   7.310   4.450
   79   2H5*    A   8          2H5*        A   8  22.410   6.910   3.468
   80    H4*    A   8           H4*        A   8  24.339   8.432   2.464
   81    H3*    A   8           H3*        A   8  22.513   6.377   1.357
   82    H2*    A   8           H2*        A   8  23.809   5.643  -0.366
   83   2HO*    A   8          2HO*        A   8  23.514   7.827  -1.270
   84    H1*    A   8           H1*        A   8  26.340   6.861   0.267
   85    H8     A   8           H8         A   8  24.738   3.942   2.241
   86   1H6     A   8          1H6         A   8  28.258   0.272  -1.275
   87   2H6     A   8          2H6         A   8  27.108   0.333   0.042
   88    H2     A   8           H2         A   8  28.678   4.475  -2.786
   89   1H5*    G   9          1H5*        G   9  21.971  10.757  -0.682
   90   2H5*    G   9          2H5*        G   9  20.253  10.954  -1.084
   91    H4*    G   9           H4*        G   9  22.015  11.487  -2.943
   92    H3*    G   9           H3*        G   9  19.510   9.828  -3.046
   93    H2*    G   9           H2*        G   9  19.865   9.108  -5.237
   94   2HO*    G   9          2HO*        G   9  21.746  11.236  -5.427
   95    H1*    G   9           H1*        G   9  22.624   8.767  -5.110
   96    H8     G   9           H8         G   9  21.852   7.150  -1.984
   97    H1     G   9           H1         G   9  19.015   3.997  -6.797
   98   1H2     G   9          1H2         G   9  19.026   5.229  -8.625
   99   2H2     G   9          2H2         G   9  19.604   6.880  -8.639
  100   1H5*    C  10          1H5*        C  10  19.204  12.030  -6.579
  101   2H5*    C  10          2H5*        C  10  17.632  12.843  -6.706
  102    H4*    C  10           H4*        C  10  18.155  11.402  -8.700
  103    H3*    C  10           H3*        C  10  15.803  11.071  -6.862
  104    H2*    C  10           H2*        C  10  15.146   9.038  -7.713
  105   2HO*    C  10          2HO*        C  10  16.302   9.983 -10.115
  106    H1*    C  10           H1*        C  10  17.605   8.124  -8.782
  107   1H4     C  10          1H4         C  10  15.833   4.169  -4.109
  108   2H4     C  10          2H4         C  10  16.252   5.363  -2.903
  109    H5     C  10           H5         C  10  17.180   7.520  -3.458
  110    H6     C  10           H6         C  10  17.680   9.079  -5.279
  111   1H5*    G  11          1H5*        G  11  13.951  10.308 -10.723
  112   2H5*    G  11          2H5*        G  11  12.352  11.072 -10.645
  113    H4*    G  11           H4*        G  11  12.300   8.557 -11.017
  114    H3*    G  11           H3*        G  11  10.964  10.105  -8.821
  115    H2*    G  11           H2*        G  11  10.407   8.272  -7.551
  116   2HO*    G  11          2HO*        G  11   9.300   7.415  -9.537
  117    H1*    G  11           H1*        G  11  12.316   6.395  -8.501
  118    H8     G  11           H8         G  11  13.314   9.727  -6.778
  119    H1     G  11           H1         G  11  12.605   4.719  -2.834
  120   1H2     G  11          1H2         G  11  11.772   2.999  -3.933
  121   2H2     G  11          2H2         G  11  11.580   3.005  -5.671
  122   1H5*    A  12          1H5*        A  12   8.098   8.005 -12.148
  123   2H5*    A  12          2H5*        A  12   6.704   9.097 -12.268
  124    H4*    A  12           H4*        A  12   5.884   6.817 -12.499
  125    H3*    A  12           H3*        A  12   5.322   8.464 -10.076
  126    H2*    A  12           H2*        A  12   4.632   6.755  -8.701
  127   2HO*    A  12          2HO*        A  12   4.017   5.204 -11.006
  128    H1*    A  12           H1*        A  12   5.956   4.559  -9.807
  129    H8     A  12           H8         A  12   7.120   8.025  -8.380
  130   1H6     A  12          1H6         A  12   9.645   4.686  -3.840
  131   2H6     A  12          2H6         A  12   9.262   6.299  -4.398
  132    H2     A  12           H2         A  12   7.659   1.856  -6.696
  133   1H5*    C  13          1H5*        C  13   1.734  11.066  -9.901
  134   2H5*    C  13          2H5*        C  13   3.403  11.519  -9.500
  135    H4*    C  13           H4*        C  13   1.761   9.789  -7.619
  136    H3*    C  13           H3*        C  13   1.347  12.600  -8.371
  137    H2*    C  13           H2*        C  13   2.315  13.625  -6.591
  138   2HO*    C  13          2HO*        C  13   1.709  12.935  -4.445
  139    H1*    C  13           H1*        C  13   3.253  11.300  -5.090
  140   1H4     C  13          1H4         C  13   7.999  15.552  -4.940
  141   2H4     C  13          2H4         C  13   8.267  15.345  -6.656
  142    H5     C  13           H5         C  13   6.778  14.087  -8.078
  143    H6     C  13           H6         C  13   4.829  12.612  -8.134
  144   1H5*    G  14          1H5*        G  14   0.951   8.543  -9.676
  145   2H5*    G  14          2H5*        G  14  -0.792   8.211  -9.680
  146    H4*    G  14           H4*        G  14  -0.066   6.052  -9.319
  147    H3*    G  14           H3*        G  14  -0.369   7.545  -6.760
  148    H2*    G  14           H2*        G  14   0.969   6.207  -5.463
  149   2HO*    G  14          2HO*        G  14   1.206   3.955  -5.907
  150    H1*    G  14           H1*        G  14   2.599   4.988  -7.422
  151    H8     G  14           H8         G  14   3.438   8.473  -7.888
  152    H1     G  14           H1         G  14   5.305   6.521  -2.076
  153   1H2     G  14          1H2         G  14   4.384   4.568  -1.605
  154   2H2     G  14          2H2         G  14   3.164   3.839  -2.626
  155   1H5*    G  15          1H5*        G  15  -1.011   4.177  -5.074
  156   2H5*    G  15          2H5*        G  15  -2.730   3.933  -4.709
  157    H4*    G  15           H4*        G  15  -1.784   3.487  -2.622
  158    H3*    G  15           H3*        G  15  -2.565   6.367  -2.957
  159    H2*    G  15           H2*        G  15  -1.398   7.121  -1.126
  160   2HO*    G  15          2HO*        G  15  -2.639   5.330   0.091
  161    H1*    G  15           H1*        G  15   0.494   5.000  -0.855
  162    H8     G  15           H8         G  15   2.637   6.428  -0.717
  163    H1     G  15           H1         G  15   0.478  10.670  -4.991
  164   1H2     G  15          1H2         G  15  -1.550  10.130  -5.647
  165   2H2     G  15          2H2         G  15  -2.302   8.614  -5.205
  166   1H5*    C  16          1H5*        C  16  -5.502   3.982   0.206
  167   2H5*    C  16          2H5*        C  16  -6.663   5.107   0.938
  168    H4*    C  16           H4*        C  16  -5.119   3.775   2.548
  169    H3*    C  16           H3*        C  16  -5.683   6.737   2.466
  170    H2*    C  16           H2*        C  16  -4.162   7.218   4.168
  171   2HO*    C  16          2HO*        C  16  -4.361   4.459   4.800
  172    H1*    C  16           H1*        C  16  -2.183   5.416   3.520
  173   1H4     C  16          1H4         C  16  -0.656  11.239   1.330
  174   2H4     C  16          2H4         C  16  -1.861  11.103   0.073
  175    H5     C  16           H5         C  16  -3.259   9.161  -0.223
  176    H6     C  16           H6         C  16  -3.842   6.971   0.664
  177   1H5*    C  17          1H5*        C  17  -7.284   6.260   6.891
  178   2H5*    C  17          2H5*        C  17  -8.196   7.782   6.884
  179    H4*    C  17           H4*        C  17  -6.027   7.483   8.419
  180    H3*    C  17           H3*        C  17  -6.976   9.847   6.770
  181    H2*    C  17           H2*        C  17  -5.146  11.114   7.447
  182   2HO*    C  17          2HO*        C  17  -4.087  10.814   9.306
  183    H1*    C  17           H1*        C  17  -3.266   9.049   7.472
  184   1H4     C  17          1H4         C  17  -2.509  12.839   2.374
  185   2H4     C  17          2H4         C  17  -3.729  11.935   1.514
  186    H5     C  17           H5         C  17  -4.879  10.040   2.467
  187    H6     C  17           H6         C  17  -5.262   8.756   4.511
  188   1H5*    U  18          1H5*        U  18  -5.584  12.305   9.587
  189   2H5*    U  18          2H5*        U  18  -6.900  13.465   9.841
  190    H4*    U  18           H4*        U  18  -4.818  14.445   8.761
  191    H3*    U  18           H3*        U  18  -7.628  14.479   7.732
  192    H2*    U  18           H2*        U  18  -7.065  15.340   5.666
  193   2HO*    U  18          2HO*        U  18  -5.679  16.945   5.421
  194    H1*    U  18           H1*        U  18  -4.304  14.526   5.603
  195    H3     U  18           H3         U  18  -5.925  13.263   1.542
  196    H5     U  18           H5         U  18  -8.004  10.840   4.296
  197    H6     U  18           H6         U  18  -6.980  12.104   6.084
  198   1H5*    U  19          1H5*        U  19  -8.685  19.423   9.537
  199   2H5*    U  19          2H5*        U  19  -9.248  19.689   7.876
  200    H4*    U  19           H4*        U  19  -7.978  21.653   8.449
  201    H3*    U  19           H3*        U  19  -7.258  19.926   6.366
  202    H2*    U  19           H2*        U  19  -5.270  19.047   7.185
  203   2HO*    U  19          2HO*        U  19  -4.644  21.686   6.398
  204    H1*    U  19           H1*        U  19  -4.574  21.402   8.890
  205    H3     U  19           H3         U  19  -2.164  19.098  11.902
  206    H5     U  19           H5         U  19  -4.122  16.075   9.721
  207    H6     U  19           H6         U  19  -5.267  17.783   8.479
  208   1H5*    C  20          1H5*        C  20  -5.146  19.987   4.639
  209   2H5*    C  20          2H5*        C  20  -5.025  21.524   3.758
  210    H4*    C  20           H4*        C  20  -4.477  19.964   2.088
  211    H3*    C  20           H3*        C  20  -6.844  21.347   1.828
  212    H2*    C  20           H2*        C  20  -8.285  19.680   2.614
  213   2HO*    C  20          2HO*        C  20  -9.235  18.667   0.833
  214    H1*    C  20           H1*        C  20  -6.785  17.454   1.272
  215   1H4     C  20          1H4         C  20  -9.877  13.982   5.577
  216   2H4     C  20          2H4         C  20 -10.108  15.360   6.628
  217    H5     C  20           H5         C  20  -9.153  17.531   6.164
  218    H6     C  20           H6         C  20  -7.913  18.864   4.536
  219   1H5*    G  21          1H5*        G  21  -2.077  20.822   0.343
  220   2H5*    G  21          2H5*        G  21  -2.604  19.919   1.771
  221    H4*    G  21           H4*        G  21  -1.761  22.858   1.765
  222    H3*    G  21           H3*        G  21  -0.348  20.260   2.116
  223    H2*    G  21           H2*        G  21   0.340  20.586   4.270
  224   2HO*    G  21          2HO*        G  21   1.438  22.322   4.749
  225    H1*    G  21           H1*        G  21  -1.409  22.651   5.127
  226    H8     G  21           H8         G  21  -1.239  21.327   7.396
  227    H1     G  21           H1         G  21  -3.676  16.064   4.670
  228   1H2     G  21          1H2         G  21  -3.722  16.294   2.478
  229   2H2     G  21          2H2         G  21  -3.379  17.820   1.694
  230   1H5*    G  22          1H5*        G  22   4.308  20.102   2.735
  231   2H5*    G  22          2H5*        G  22   2.823  19.178   2.427
  232    H4*    G  22           H4*        G  22   3.720  20.333   5.111
  233    H3*    G  22           H3*        G  22   3.923  17.724   3.695
  234    H2*    G  22           H2*        G  22   2.781  16.427   5.232
  235   2HO*    G  22          2HO*        G  22   3.317  16.620   7.241
  236    H1*    G  22           H1*        G  22   0.955  18.197   6.256
  237    H8     G  22           H8         G  22   0.854  18.736   2.552
  238    H1     G  22           H1         G  22  -1.793  13.154   4.246
  239   1H2     G  22          1H2         G  22  -1.230  12.649   6.328
  240   2H2     G  22          2H2         G  22  -0.391  13.777   7.368
  241   1H5*    G  23          1H5*        G  23   5.381  16.677   7.709
  242   2H5*    G  23          2H5*        G  23   6.992  15.968   7.469
  243    H4*    G  23           H4*        G  23   5.551  14.482   8.847
  244    H3*    G  23           H3*        G  23   6.674  13.782   6.168
  245    H2*    G  23           H2*        G  23   5.336  11.961   5.768
  246   2HO*    G  23          2HO*        G  23   5.236  11.669   8.595
  247    H1*    G  23           H1*        G  23   3.151  12.502   7.488
  248    H8     G  23           H8         G  23   4.008  15.033   4.706
  249    H1     G  23           H1         G  23  -0.023  10.358   2.984
  250   1H2     G  23          1H2         G  23  -0.196   8.870   4.605
  251   2H2     G  23          2H2         G  23   0.820   8.918   6.028
  252   1H5*    A  24          1H5*        A  24   8.690   9.211   6.302
  253   2H5*    A  24          2H5*        A  24   7.286  10.118   5.702
  254    H4*    A  24           H4*        A  24   6.953   8.078   7.924
  255    H3*    A  24           H3*        A  24   7.630   7.662   5.048
  256    H2*    A  24           H2*        A  24   5.726   6.518   4.459
  257   2HO*    A  24          2HO*        A  24   5.257   4.840   5.607
  258    H1*    A  24           H1*        A  24   3.917   7.389   6.414
  259    H8     A  24           H8         A  24   5.514  10.246   4.467
  260   1H6     A  24          1H6         A  24   1.602   9.078  -0.148
  261   2H6     A  24          2H6         A  24   2.723  10.235   0.531
  262    H2     A  24           H2         A  24   1.052   5.889   2.939
  263   1H5*    C  25          1H5*        C  25   7.360   3.645   6.379
  264   2H5*    C  25          2H5*        C  25   8.414   2.550   5.465
  265    H4*    C  25           H4*        C  25   5.836   2.409   5.016
  266    H3*    C  25           H3*        C  25   8.125   2.600   3.053
  267    H2*    C  25           H2*        C  25   6.728   2.912   1.234
  268   2HO*    C  25          2HO*        C  25   4.769   1.911   1.045
  269    H1*    C  25           H1*        C  25   4.419   3.869   2.618
  270   1H4     C  25          1H4         C  25   6.289   8.243  -1.632
  271   2H4     C  25          2H4         C  25   7.452   8.857  -0.481
  272    H5     C  25           H5         C  25   7.735   7.920   1.725
  273    H6     C  25           H6         C  25   7.170   6.038   3.189
  274   1H5*    U  26          1H5*        U  26   6.430   0.922   0.083
  275   2H5*    U  26          2H5*        U  26   7.350  -0.577  -0.150
  276    H4*    U  26           H4*        U  26   7.711   0.723  -2.138
  277    H3*    U  26           H3*        U  26   9.854   0.408  -0.121
  278    H2*    U  26           H2*        U  26  11.056   2.284  -0.591
  279   2HO*    U  26          2HO*        U  26  10.387   1.955  -3.337
  280    H1*    U  26           H1*        U  26   9.252   3.638  -2.400
  281    H3     U  26           H3         U  26  10.702   7.240  -0.144
  282    H5     U  26           H5         U  26   9.393   4.666   2.926
  283    H6     U  26           H6         U  26   8.914   2.998   1.232
  284   1H5*    A  27          1H5*        A  27   8.984  -2.698  -3.045
  285   2H5*    A  27          2H5*        A  27  10.096  -3.972  -2.502
  286    H4*    A  27           H4*        A  27   9.572  -4.868  -4.569
  287    H3*    A  27           H3*        A  27  11.864  -2.959  -4.744
  288    H2*    A  27           H2*        A  27  11.777  -2.635  -7.044
  289   2HO*    A  27          2HO*        A  27  11.294  -4.199  -8.407
  290    H1*    A  27           H1*        A  27   9.121  -2.861  -7.550
  291    H8     A  27           H8         A  27  10.154  -0.734  -4.475
  292   1H6     A  27          1H6         A  27  11.047   3.901  -8.462
  293   2H6     A  27          2H6         A  27  10.903   3.463  -6.775
  294    H2     A  27           H2         A  27   9.974   0.240 -10.813
  295   1H5*    G  28          1H5*        G  28  13.283  -5.374  -7.969
  296   2H5*    G  28          2H5*        G  28  15.019  -5.011  -7.970
  297    H4*    G  28           H4*        G  28  13.403  -3.932  -9.798
  298    H3*    G  28           H3*        G  28  15.807  -2.941  -8.318
  299    H2*    G  28           H2*        G  28  15.498  -0.708  -8.806
  300   2HO*    G  28          2HO*        G  28  14.008  -1.577 -11.068
  301    H1*    G  28           H1*        G  28  12.732  -0.594  -9.142
  302    H8     G  28           H8         G  28  13.194  -2.016  -5.759
  303    H1     G  28           H1         G  28  15.323   4.022  -6.036
  304   1H2     G  28          1H2         G  28  15.389   4.704  -8.135
  305   2H2     G  28          2H2         G  28  15.102   3.620  -9.477
  306   1H5*    C  29          1H5*        C  29  15.559  -1.268 -12.475
  307   2H5*    C  29          2H5*        C  29  17.033  -1.839 -13.282
  308    H4*    C  29           H4*        C  29  16.710   0.443 -14.002
  309    H3*    C  29           H3*        C  29  18.847  -0.122 -11.973
  310    H2*    C  29           H2*        C  29  19.379   2.145 -11.712
  311   2HO*    C  29          2HO*        C  29  17.878   2.620 -14.083
  312    H1*    C  29           H1*        C  29  16.844   3.202 -11.800
  313   1H4     C  29          1H4         C  29  18.610   2.449  -5.679
  314   2H4     C  29          2H4         C  29  18.210   0.749  -5.766
  315    H5     C  29           H5         C  29  17.366  -0.304  -7.751
  316    H6     C  29           H6         C  29  16.819   0.012 -10.116
  317   1H5*    A  30          1H5*        A  30  21.362   1.219 -15.527
  318   2H5*    A  30          2H5*        A  30  23.011   0.630 -15.236
  319    H4*    A  30           H4*        A  30  22.516   3.195 -14.938
  320    H3*    A  30           H3*        A  30  24.095   1.266 -13.285
  321    H2*    A  30           H2*        A  30  24.267   2.644 -11.450
  322   2HO*    A  30          2HO*        A  30  25.357   4.255 -12.719
  323    H1*    A  30           H1*        A  30  22.053   4.392 -11.969
  324    H8     A  30           H8         A  30  20.922   0.875 -11.296
  325   1H6     A  30          1H6         A  30  21.327   2.258  -5.287
  326   2H6     A  30          2H6         A  30  20.621   1.179  -6.468
  327    H2     A  30           H2         A  30  23.277   5.561  -7.606
  328   1H5*    A  31          1H5*        A  31  27.233   0.308 -12.481
  329   2H5*    A  31          2H5*        A  31  25.691   1.141 -12.217
  330    H4*    A  31           H4*        A  31  27.862   2.781 -11.216
  331    H3*    A  31           H3*        A  31  28.550   0.111 -11.075
  332    H2*    A  31           H2*        A  31  26.803  -0.725  -9.804
  333   2HO*    A  31          2HO*        A  31  28.462  -1.028  -8.367
  334    H1*    A  31           H1*        A  31  26.450   1.703  -8.117
  335    H8     A  31           H8         A  31  24.418  -0.030 -10.957
  336   1H6     A  31          1H6         A  31  20.429  -1.522  -6.460
  337   2H6     A  31          2H6         A  31  20.795  -1.671  -8.164
  338    H2     A  31           H2         A  31  23.901   0.645  -4.611
  339   1H5*    A  32          1H5*        A  32  28.162   4.170 -10.092
  340   2H5*    A  32          2H5*        A  32  29.350   5.381 -10.601
  341    H4*    A  32           H4*        A  32  28.363   6.595  -8.910
  342    H3*    A  32           H3*        A  32  30.691   5.089  -8.019
  343    H2*    A  32           H2*        A  32  29.752   4.103  -6.172
  344   2HO*    A  32          2HO*        A  32  29.815   5.370  -4.435
  345    H1*    A  32           H1*        A  32  27.427   5.995  -6.063
  346    H8     A  32           H8         A  32  28.047   2.175  -6.721
  347   1H6     A  32          1H6         A  32  24.202   1.361  -1.940
  348   2H6     A  32          2H6         A  32  25.292   0.569  -3.056
  349    H2     A  32           H2         A  32  24.792   5.770  -2.525
  350   1H5*    C  33          1H5*        C  33  28.912   8.581  -8.544
  351   2H5*    C  33          2H5*        C  33  29.351   9.524  -9.983
  352    H4*    C  33           H4*        C  33  28.721  11.448  -8.952
  353    H3*    C  33           H3*        C  33  30.898  10.454  -7.188
  354    H2*    C  33           H2*        C  33  30.023  11.103  -5.193
  355   2HO*    C  33          2HO*        C  33  29.722  13.158  -4.890
  356    H1*    C  33           H1*        C  33  27.364  11.855  -6.002
  357   1H4     C  33          1H4         C  33  26.408   7.791  -1.218
  358   2H4     C  33          2H4         C  33  27.566   6.655  -1.871
  359    H5     C  33           H5         C  33  28.698   6.996  -3.974
  360    H6     C  33           H6         C  33  29.048   8.546  -5.835
  361   1H5*    G  34          1H5*        G  34  32.558  14.344  -6.171
  362   2H5*    G  34          2H5*        G  34  34.190  13.720  -5.861
  363    H4*    G  34           H4*        G  34  32.534  14.233  -3.838
  364    H3*    G  34           H3*        G  34  34.487  11.993  -4.339
  365    H2*    G  34           H2*        G  34  33.772  10.765  -2.531
  366   2HO*    G  34          2HO*        G  34  33.997  11.908  -0.774
  367    H1*    G  34           H1*        G  34  31.154  11.884  -2.256
  368    H8     G  34           H8         G  34  31.983   9.898  -5.445
  369    H1     G  34           H1         G  34  30.277   6.298  -0.405
  370   1H2     G  34          1H2         G  34  30.159   7.558   1.405
  371   2H2     G  34          2H2         G  34  30.294   9.301   1.338
  372   1H5*    G  35          1H5*        G  35  35.612  14.348  -0.074
  373   2H5*    G  35          2H5*        G  35  37.160  13.581   0.335
  374    H4*    G  35           H4*        G  35  35.114  13.509   2.048
  375    H3*    G  35           H3*        G  35  37.251  11.539   1.302
  376    H2*    G  35           H2*        G  35  36.238   9.721   2.266
  377   2HO*    G  35          2HO*        G  35  34.987  11.573   4.026
  378    H1*    G  35           H1*        G  35  33.540  10.576   2.289
  379    H8     G  35           H8         G  35  35.093  10.354  -1.177
  380    H1     G  35           H1         G  35  33.396   4.671   1.262
  381   1H2     G  35          1H2         G  35  32.772   4.911   3.368
  382   2H2     G  35          2H2         G  35  32.959   6.422   4.229
  383   1H5*    A  36          1H5*        A  36  37.110  12.092   6.319
  384   2H5*    A  36          2H5*        A  36  38.559  11.163   6.750
  385    H4*    A  36           H4*        A  36  36.186  10.546   7.800
  386    H3*    A  36           H3*        A  36  38.502   8.867   6.857
  387    H2*    A  36           H2*        A  36  37.329   6.843   7.067
  388   2HO*    A  36          2HO*        A  36  35.650   6.560   8.433
  389    H1*    A  36           H1*        A  36  34.842   7.653   6.273
  390    H8     A  36           H8         A  36  37.285   9.202   3.870
  391   1H6     A  36          1H6         A  36  38.003   3.648   1.276
  392   2H6     A  36          2H6         A  36  38.231   5.371   1.077
  393    H2     A  36           H2         A  36  35.594   3.124   5.025
  394   1H5*    G  37          1H5*        G  37  37.167   6.776   9.895
  395   2H5*    G  37          2H5*        G  37  38.414   6.180  11.006
  396    H4*    G  37           H4*        G  37  37.138   4.305   9.965
  397    H3*    G  37           H3*        G  37  40.070   4.797   9.494
  398    H2*    G  37           H2*        G  37  40.256   3.159   7.887
  399   2HO*    G  37          2HO*        G  37  38.976   1.290   7.899
  400    H1*    G  37           H1*        G  37  37.510   3.024   7.092
  401    H8     G  37           H8         G  37  38.940   6.361   6.177
  402    H1     G  37           H1         G  37  41.046   1.619   2.407
  403   1H2     G  37          1H2         G  37  40.496  -0.333   3.290
  404   2H2     G  37          2H2         G  37  39.462  -0.462   4.695
  405   1H5*    G  38          1H5*        G  38  38.885   0.443  11.374
  406   2H5*    G  38          2H5*        G  38  40.398  -0.217  12.024
  407    H4*    G  38           H4*        G  38  38.941  -1.730  10.448
  408    H3*    G  38           H3*        G  38  41.886  -1.240  10.602
  409    H2*    G  38           H2*        G  38  42.416  -2.112   8.546
  410   2HO*    G  38          2HO*        G  38  41.588  -3.947   7.837
  411    H1*    G  38           H1*        G  38  39.957  -1.861   7.190
  412    H8     G  38           H8         G  38  41.202   1.490   8.396
  413    H1     G  38           H1         G  38  44.266  -0.622   3.176
  414   1H2     G  38          1H2         G  38  43.716  -2.720   2.772
  415   2H2     G  38          2H2         G  38  42.757  -3.665   3.890
  416   1H5*    C  39          1H5*        C  39  41.286  -5.469   9.471
  417   2H5*    C  39          2H5*        C  39  42.108  -6.432  10.713
  418    H4*    C  39           H4*        C  39  42.748  -7.375   8.588
  419    H3*    C  39           H3*        C  39  44.723  -5.666  10.071
  420    H2*    C  39           H2*        C  39  46.241  -5.564   8.343
  421   2HO*    C  39          2HO*        C  39  46.837  -7.361   7.464
  422    H1*    C  39           H1*        C  39  44.499  -6.016   6.151
  423   1H4     C  39          1H4         C  39  46.850  -0.144   5.482
  424   2H4     C  39          2H4         C  39  46.118   0.369   6.983
  425    H5     C  39           H5         C  39  44.730  -1.069   8.329
  426    H6     C  39           H6         C  39  43.914  -3.361   8.632
  427   1H5*    C  40          1H5*        C  40  48.541  -6.470  11.927
  428   2H5*    C  40          2H5*        C  40  46.967  -6.162  12.685
  429    H4*    C  40           H4*        C  40  47.838  -3.992  12.631
  430    H3*    C  40           H3*        C  40  46.293  -4.648  10.136
  431    H2*    C  40           H2*        C  40  47.023  -2.817   8.971
  432   2HO*    C  40          2HO*        C  40  47.349  -1.509  11.482
  433    H1*    C  40           H1*        C  40  49.382  -2.246  10.457
  434   1H4     C  40          1H4         C  40  51.379  -3.424   4.541
  435   2H4     C  40          2H4         C  40  50.373  -4.848   4.422
  436    H5     C  40           H5         C  40  49.026  -5.662   6.242
  437    H6     C  40           H6         C  40  48.244  -5.219   8.514
  438    H3T    C  40           H3T        C  40  45.989  -2.684  12.176
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  50.720   8.703   0.404
    2   2H5*    G   1          2H5*        G   1  49.715   8.036  -0.899
    3    H4*    G   1           H4*        G   1  51.960   6.938  -0.840
    4    H3*    G   1           H3*        G   1  49.385   5.478  -0.249
    5    H2*    G   1           H2*        G   1  50.479   3.516   0.402
    6   2HO*    G   1          2HO*        G   1  51.650   3.220  -1.479
    7    H1*    G   1           H1*        G   1  52.880   4.590   1.322
    8    H8     G   1           H8         G   1  50.235   6.315   3.260
    9    H1     G   1           H1         G   1  50.769   0.151   4.945
   10   1H2     G   1          1H2         G   1  51.914  -0.958   3.420
   11   2H2     G   1          2H2         G   1  52.709  -0.156   2.083
   12    H5T    G   1           H5T        G   1  49.526   7.677   1.884
   13   1H5*    G   2          1H5*        G   2  50.840   3.445  -4.177
   14   2H5*    G   2          2H5*        G   2  49.396   3.329  -5.203
   15    H4*    G   2           H4*        G   2  50.268   1.085  -4.994
   16    H3*    G   2           H3*        G   2  47.877   1.809  -3.295
   17    H2*    G   2           H2*        G   2  47.779  -0.375  -2.390
   18   2HO*    G   2          2HO*        G   2  48.188  -1.540  -4.312
   19    H1*    G   2           H1*        G   2  50.430  -0.618  -1.869
   20    H8     G   2           H8         G   2  49.083   2.973  -1.481
   21    H1     G   2           H1         G   2  47.987  -0.763   3.604
   22   1H2     G   2          1H2         G   2  48.565  -2.848   3.158
   23   2H2     G   2          2H2         G   2  49.055  -3.361   1.559
   24   1H5*    C   3          1H5*        C   3  46.091  -1.467  -5.973
   25   2H5*    C   3          2H5*        C   3  44.347  -1.457  -5.646
   26    H4*    C   3           H4*        C   3  45.903  -3.403  -4.687
   27    H3*    C   3           H3*        C   3  43.551  -1.912  -3.525
   28    H2*    C   3           H2*        C   3  43.784  -2.897  -1.425
   29   2HO*    C   3          2HO*        C   3  43.895  -5.044  -2.153
   30    H1*    C   3           H1*        C   3  46.543  -3.099  -1.317
   31   1H4     C   3          1H4         C   3  44.563   1.807   2.300
   32   2H4     C   3          2H4         C   3  44.762   2.872   0.928
   33    H5     C   3           H5         C   3  45.501   2.103  -1.234
   34    H6     C   3           H6         C   3  45.949   0.132  -2.612
   35   1H5*    C   4          1H5*        C   4  41.233  -5.869  -3.435
   36   2H5*    C   4          2H5*        C   4  39.592  -5.204  -3.559
   37    H4*    C   4           H4*        C   4  40.493  -6.220  -1.254
   38    H3*    C   4           H3*        C   4  38.738  -3.860  -1.909
   39    H2*    C   4           H2*        C   4  38.807  -2.993   0.213
   40   2HO*    C   4          2HO*        C   4  38.371  -4.230   1.847
   41    H1*    C   4           H1*        C   4  41.233  -4.205   1.128
   42   1H4     C   4          1H4         C   4  41.533   2.199   1.330
   43   2H4     C   4          2H4         C   4  42.451   2.133  -0.156
   44    H5     C   4           H5         C   4  42.695   0.112  -1.469
   45    H6     C   4           H6         C   4  42.095  -2.253  -1.627
   46   1H5*    U   5          1H5*        U   5  36.961  -6.053   1.760
   47   2H5*    U   5          2H5*        U   5  35.269  -6.255   1.263
   48    H4*    U   5           H4*        U   5  35.376  -5.418   3.581
   49    H3*    U   5           H3*        U   5  34.300  -3.760   1.316
   50    H2*    U   5           H2*        U   5  34.161  -1.814   2.532
   51   2HO*    U   5          2HO*        U   5  33.821  -3.538   4.755
   52    H1*    U   5           H1*        U   5  36.103  -2.337   4.529
   53    H3     U   5           H3         U   5  37.074   1.788   2.913
   54    H5     U   5           H5         U   5  38.106  -0.833  -0.222
   55    H6     U   5           H6         U   5  37.100  -2.636   1.045
   56   1H5*    C   6          1H5*        C   6  31.056  -4.112   5.035
   57   2H5*    C   6          2H5*        C   6  29.572  -3.481   4.295
   58    H4*    C   6           H4*        C   6  30.533  -2.384   6.522
   59    H3*    C   6           H3*        C   6  29.221  -1.261   4.073
   60    H2*    C   6           H2*        C   6  29.801   0.922   4.469
   61   2HO*    C   6          2HO*        C   6  29.516   1.784   6.367
   62    H1*    C   6           H1*        C   6  32.097   0.591   6.061
   63   1H4     C   6          1H4         C   6  33.763   3.295   0.530
   64   2H4     C   6          2H4         C   6  33.522   1.783  -0.314
   65    H5     C   6           H5         C   6  32.867  -0.253   0.801
   66    H6     C   6           H6         C   6  32.061  -1.215   2.909
   67   1H5*    C   7          1H5*        C   7  27.815   1.085   7.713
   68   2H5*    C   7          2H5*        C   7  26.051   1.157   7.535
   69    H4*    C   7           H4*        C   7  26.922   3.400   8.042
   70    H3*    C   7           H3*        C   7  25.737   2.714   5.365
   71    H2*    C   7           H2*        C   7  26.339   4.698   4.362
   72   2HO*    C   7          2HO*        C   7  25.332   5.774   6.386
   73    H1*    C   7           H1*        C   7  28.593   5.379   5.921
   74   1H4     C   7          1H4         C   7  30.521   4.131  -0.021
   75   2H4     C   7          2H4         C   7  30.270   2.420   0.230
   76    H5     C   7           H5         C   7  29.098   1.535   2.153
   77    H6     C   7           H6         C   7  28.232   2.060   4.377
   78   1H5*    A   8          1H5*        A   8  23.688   6.496   5.520
   79   2H5*    A   8          2H5*        A   8  22.268   6.137   4.520
   80    H4*    A   8           H4*        A   8  24.218   7.666   3.569
   81    H3*    A   8           H3*        A   8  22.376   5.663   2.398
   82    H2*    A   8           H2*        A   8  23.672   4.960   0.663
   83   2HO*    A   8          2HO*        A   8  24.615   7.641   0.471
   84    H1*    A   8           H1*        A   8  26.211   6.146   1.334
   85    H8     A   8           H8         A   8  24.631   3.193   3.255
   86   1H6     A   8          1H6         A   8  27.960  -0.432  -0.484
   87   2H6     A   8          2H6         A   8  26.994  -0.372   0.973
   88    H2     A   8           H2         A   8  28.450   3.811  -1.853
   89   1H5*    G   9          1H5*        G   9  21.979  10.111   0.572
   90   2H5*    G   9          2H5*        G   9  20.272  10.435   0.208
   91    H4*    G   9           H4*        G   9  22.004  11.019  -1.637
   92    H3*    G   9           H3*        G   9  19.479   9.395  -1.832
   93    H2*    G   9           H2*        G   9  19.819   8.830  -4.072
   94   2HO*    G   9          2HO*        G   9  21.807  10.871  -4.154
   95    H1*    G   9           H1*        G   9  22.573   8.453  -3.977
   96    H8     G   9           H8         G   9  21.768   6.624  -0.973
   97    H1     G   9           H1         G   9  18.909   3.863  -6.010
   98   1H2     G   9          1H2         G   9  18.976   5.211  -7.754
   99   2H2     G   9          2H2         G   9  19.542   6.862  -7.637
  100   1H5*    C  10          1H5*        C  10  19.330  11.639  -5.190
  101   2H5*    C  10          2H5*        C  10  17.847  12.600  -5.352
  102    H4*    C  10           H4*        C  10  18.268  11.241  -7.390
  103    H3*    C  10           H3*        C  10  15.899  10.864  -5.580
  104    H2*    C  10           H2*        C  10  15.184   8.915  -6.572
  105   2HO*    C  10          2HO*        C  10  16.481   9.861  -8.919
  106    H1*    C  10           H1*        C  10  17.623   8.006  -7.691
  107   1H4     C  10          1H4         C  10  15.746   3.766  -3.323
  108   2H4     C  10          2H4         C  10  16.180   4.862  -2.031
  109    H5     C  10           H5         C  10  17.145   7.038  -2.425
  110    H6     C  10           H6         C  10  17.686   8.714  -4.128
  111   1H5*    G  11          1H5*        G  11  14.000  10.446  -9.442
  112   2H5*    G  11          2H5*        G  11  12.398  11.192  -9.277
  113    H4*    G  11           H4*        G  11  12.367   8.695  -9.788
  114    H3*    G  11           H3*        G  11  11.050  10.112  -7.493
  115    H2*    G  11           H2*        G  11  10.515   8.202  -6.333
  116   2HO*    G  11          2HO*        G  11   9.322   7.442  -8.244
  117    H1*    G  11           H1*        G  11  12.418   6.399  -7.439
  118    H8     G  11           H8         G  11  13.483   9.565  -5.473
  119    H1     G  11           H1         G  11  12.605   4.309  -1.906
  120   1H2     G  11          1H2         G  11  11.728   2.699  -3.132
  121   2H2     G  11          2H2         G  11  11.540   2.842  -4.866
  122   1H5*    A  12          1H5*        A  12   9.140   8.164 -10.834
  123   2H5*    A  12          2H5*        A  12   7.831   9.007 -11.689
  124    H4*    A  12           H4*        A  12   7.493   6.681 -12.156
  125    H3*    A  12           H3*        A  12   5.738   8.042 -10.164
  126    H2*    A  12           H2*        A  12   4.866   6.152  -9.195
  127   2HO*    A  12          2HO*        A  12   5.244   5.035 -11.757
  128    H1*    A  12           H1*        A  12   6.876   4.267  -9.730
  129    H8     A  12           H8         A  12   7.081   7.706  -7.859
  130   1H6     A  12          1H6         A  12   7.203   4.280  -2.720
  131   2H6     A  12          2H6         A  12   7.364   5.892  -3.378
  132    H2     A  12           H2         A  12   6.911   1.503  -6.230
  133   1H5*    C  13          1H5*        C  13   3.302  11.042 -11.486
  134   2H5*    C  13          2H5*        C  13   4.693  11.547 -10.505
  135    H4*    C  13           H4*        C  13   2.747   9.322  -9.734
  136    H3*    C  13           H3*        C  13   2.439  12.174  -9.678
  137    H2*    C  13           H2*        C  13   3.747  12.636  -7.830
  138   2HO*    C  13          2HO*        C  13   2.545  11.846  -5.809
  139    H1*    C  13           H1*        C  13   3.394   9.886  -6.664
  140   1H4     C  13          1H4         C  13   9.230  12.663  -5.028
  141   2H4     C  13          2H4         C  13   8.634  11.886  -3.579
  142    H5     C  13           H5         C  13   6.528  10.689  -3.488
  143    H6     C  13           H6         C  13   4.567  10.009  -4.749
  144   1H5*    G  14          1H5*        G  14   1.303   7.297 -10.902
  145   2H5*    G  14          2H5*        G  14  -0.447   7.467 -10.661
  146    H4*    G  14           H4*        G  14   0.005   5.242  -9.986
  147    H3*    G  14           H3*        G  14  -0.356   7.296  -7.863
  148    H2*    G  14           H2*        G  14   0.583   6.118  -6.134
  149   2HO*    G  14          2HO*        G  14  -0.445   3.879  -7.512
  150    H1*    G  14           H1*        G  14   2.204   4.270  -7.526
  151    H8     G  14           H8         G  14   3.417   7.673  -8.415
  152    H1     G  14           H1         G  14   4.894   6.108  -2.383
  153   1H2     G  14          1H2         G  14   3.820   4.273  -1.789
  154   2H2     G  14          2H2         G  14   2.609   3.526  -2.806
  155   1H5*    G  15          1H5*        G  15  -3.888   4.709  -6.051
  156   2H5*    G  15          2H5*        G  15  -4.697   6.124  -5.350
  157    H4*    G  15           H4*        G  15  -3.545   4.312  -3.778
  158    H3*    G  15           H3*        G  15  -3.690   7.318  -3.650
  159    H2*    G  15           H2*        G  15  -2.114   7.492  -1.984
  160   2HO*    G  15          2HO*        G  15  -3.226   5.047  -1.142
  161    H1*    G  15           H1*        G  15  -0.838   4.938  -2.315
  162    H8     G  15           H8         G  15   1.394   6.121  -1.681
  163    H1     G  15           H1         G  15   0.668  10.492  -6.306
  164   1H2     G  15          1H2         G  15  -1.278  10.238  -7.301
  165   2H2     G  15          2H2         G  15  -2.486   9.115  -6.718
  166   1H5*    C  16          1H5*        C  16  -5.291   4.762  -0.363
  167   2H5*    C  16          2H5*        C  16  -6.794   5.277   0.429
  168    H4*    C  16           H4*        C  16  -5.330   4.355   2.140
  169    H3*    C  16           H3*        C  16  -5.776   7.332   2.000
  170    H2*    C  16           H2*        C  16  -4.248   7.799   3.700
  171   2HO*    C  16          2HO*        C  16  -5.048   6.192   5.146
  172    H1*    C  16           H1*        C  16  -2.318   5.943   3.100
  173   1H4     C  16          1H4         C  16  -0.604  11.577   0.595
  174   2H4     C  16          2H4         C  16  -1.871  11.458  -0.603
  175    H5     C  16           H5         C  16  -3.357   9.563  -0.775
  176    H6     C  16           H6         C  16  -4.005   7.443   0.228
  177   1H5*    C  17          1H5*        C  17  -7.422   7.018   6.377
  178   2H5*    C  17          2H5*        C  17  -8.259   8.582   6.365
  179    H4*    C  17           H4*        C  17  -6.070   8.200   7.855
  180    H3*    C  17           H3*        C  17  -6.946  10.584   6.193
  181    H2*    C  17           H2*        C  17  -5.042  11.770   6.805
  182   2HO*    C  17          2HO*        C  17  -4.092  11.550   8.689
  183    H1*    C  17           H1*        C  17  -3.262   9.617   6.824
  184   1H4     C  17          1H4         C  17  -2.425  13.293   1.656
  185   2H4     C  17          2H4         C  17  -3.693  12.424   0.826
  186    H5     C  17           H5         C  17  -4.905  10.593   1.830
  187    H6     C  17           H6         C  17  -5.320   9.370   3.906
  188   1H5*    U  18          1H5*        U  18  -5.431  13.055   8.827
  189   2H5*    U  18          2H5*        U  18  -6.691  14.276   9.083
  190    H4*    U  18           H4*        U  18  -4.640  15.143   7.876
  191    H3*    U  18           H3*        U  18  -7.474  15.184   6.904
  192    H2*    U  18           H2*        U  18  -6.932  15.914   4.788
  193   2HO*    U  18          2HO*        U  18  -5.081  17.391   6.188
  194    H1*    U  18           H1*        U  18  -4.197  15.026   4.708
  195    H3     U  18           H3         U  18  -5.992  13.633   0.763
  196    H5     U  18           H5         U  18  -8.012  11.371   3.691
  197    H6     U  18           H6         U  18  -6.899  12.686   5.385
  198   1H5*    U  19          1H5*        U  19  -8.711  20.361   8.948
  199   2H5*    U  19          2H5*        U  19  -8.434  19.794   7.289
  200    H4*    U  19           H4*        U  19  -7.531  22.181   8.069
  201    H3*    U  19           H3*        U  19  -6.968  20.381   6.001
  202    H2*    U  19           H2*        U  19  -4.941  19.493   6.703
  203   2HO*    U  19          2HO*        U  19  -4.330  22.112   5.843
  204    H1*    U  19           H1*        U  19  -4.083  21.851   8.315
  205    H3     U  19           H3         U  19  -1.660  19.552  11.323
  206    H5     U  19           H5         U  19  -3.626  16.529   9.150
  207    H6     U  19           H6         U  19  -4.826  18.239   7.956
  208   1H5*    C  20          1H5*        C  20  -4.819  20.500   4.030
  209   2H5*    C  20          2H5*        C  20  -4.813  22.102   3.266
  210    H4*    C  20           H4*        C  20  -4.248  20.635   1.489
  211    H3*    C  20           H3*        C  20  -6.590  22.085   1.374
  212    H2*    C  20           H2*        C  20  -8.067  20.407   2.026
  213   2HO*    C  20          2HO*        C  20  -8.918  19.382   0.103
  214    H1*    C  20           H1*        C  20  -6.651  18.228   0.533
  215   1H4     C  20          1H4         C  20  -9.769  14.632   4.718
  216   2H4     C  20          2H4         C  20  -9.955  15.966   5.833
  217    H5     C  20           H5         C  20  -8.947  18.130   5.460
  218    H6     C  20           H6         C  20  -7.690  19.504   3.881
  219   1H5*    G  21          1H5*        G  21  -1.849  21.592  -0.207
  220   2H5*    G  21          2H5*        G  21  -2.369  20.589   1.156
  221    H4*    G  21           H4*        G  21  -1.473  23.505   1.355
  222    H3*    G  21           H3*        G  21  -0.110  20.859   1.508
  223    H2*    G  21           H2*        G  21   0.613  21.026   3.670
  224   2HO*    G  21          2HO*        G  21   1.980  22.732   3.413
  225    H1*    G  21           H1*        G  21  -1.093  23.050   4.693
  226    H8     G  21           H8         G  21  -0.948  21.570   6.861
  227    H1     G  21           H1         G  21  -3.524  16.579   3.775
  228   1H2     G  21          1H2         G  21  -3.555  16.959   1.604
  229   2H2     G  21          2H2         G  21  -3.172  18.527   0.929
  230   1H5*    G  22          1H5*        G  22   4.550  20.571   2.057
  231   2H5*    G  22          2H5*        G  22   3.043  19.697   1.717
  232    H4*    G  22           H4*        G  22   3.993  20.677   4.453
  233    H3*    G  22           H3*        G  22   4.140  18.149   2.884
  234    H2*    G  22           H2*        G  22   3.018  16.785   4.374
  235   2HO*    G  22          2HO*        G  22   3.696  16.859   6.348
  236    H1*    G  22           H1*        G  22   1.252  18.530   5.552
  237    H8     G  22           H8         G  22   1.076  19.168   1.851
  238    H1     G  22           H1         G  22  -1.690  13.631   3.510
  239   1H2     G  22          1H2         G  22  -1.120  13.090   5.580
  240   2H2     G  22          2H2         G  22  -0.233  14.181   6.619
  241   1H5*    G  23          1H5*        G  23   5.830  17.000   6.872
  242   2H5*    G  23          2H5*        G  23   7.339  16.135   6.519
  243    H4*    G  23           H4*        G  23   5.775  14.832   8.006
  244    H3*    G  23           H3*        G  23   6.858  13.981   5.352
  245    H2*    G  23           H2*        G  23   5.397  12.249   4.999
  246   2HO*    G  23          2HO*        G  23   5.025  10.809   6.508
  247    H1*    G  23           H1*        G  23   3.265  12.981   6.724
  248    H8     G  23           H8         G  23   4.206  15.360   3.845
  249    H1     G  23           H1         G  23  -0.042  10.809   2.328
  250   1H2     G  23          1H2         G  23  -0.256   9.385   4.000
  251   2H2     G  23          2H2         G  23   0.776   9.441   5.411
  252   1H5*    A  24          1H5*        A  24   8.436   9.354   5.504
  253   2H5*    A  24          2H5*        A  24   7.037  10.343   5.034
  254    H4*    A  24           H4*        A  24   6.722   8.361   7.293
  255    H3*    A  24           H3*        A  24   7.344   7.789   4.433
  256    H2*    A  24           H2*        A  24   5.393   6.688   3.917
  257   2HO*    A  24          2HO*        A  24   5.159   6.049   6.681
  258    H1*    A  24           H1*        A  24   3.641   7.702   5.845
  259    H8     A  24           H8         A  24   5.268  10.470   3.823
  260   1H6     A  24          1H6         A  24   1.461   9.181  -0.847
  261   2H6     A  24          2H6         A  24   2.578  10.350  -0.179
  262    H2     A  24           H2         A  24   0.810   6.097   2.319
  263   1H5*    C  25          1H5*        C  25   7.197   3.831   6.149
  264   2H5*    C  25          2H5*        C  25   8.176   2.643   5.264
  265    H4*    C  25           H4*        C  25   5.562   2.553   4.974
  266    H3*    C  25           H3*        C  25   7.753   2.480   2.894
  267    H2*    C  25           H2*        C  25   6.279   2.707   1.119
  268   2HO*    C  25          2HO*        C  25   4.412   1.403   2.820
  269    H1*    C  25           H1*        C  25   4.080   3.867   2.515
  270   1H4     C  25          1H4         C  25   5.985   7.805  -2.135
  271   2H4     C  25          2H4         C  25   7.179   8.482  -1.054
  272    H5     C  25           H5         C  25   7.476   7.722   1.214
  273    H6     C  25           H6         C  25   6.892   5.982   2.835
  274   1H5*    U  26          1H5*        U  26   5.941   0.663   0.127
  275   2H5*    U  26          2H5*        U  26   6.756  -0.910   0.030
  276    H4*    U  26           H4*        U  26   7.192   0.129  -2.075
  277    H3*    U  26           H3*        U  26   9.331  -0.022  -0.039
  278    H2*    U  26           H2*        U  26  10.567   1.775  -0.682
  279   2HO*    U  26          2HO*        U  26  11.331   0.731  -2.494
  280    H1*    U  26           H1*        U  26   8.820   2.956  -2.663
  281    H3     U  26           H3         U  26  10.256   6.792  -0.833
  282    H5     U  26           H5         U  26   9.063   4.545   2.527
  283    H6     U  26           H6         U  26   8.535   2.711   1.029
  284   1H5*    A  27          1H5*        A  27   8.644  -3.254  -2.954
  285   2H5*    A  27          2H5*        A  27   9.755  -4.572  -2.532
  286    H4*    A  27           H4*        A  27   9.274  -5.239  -4.694
  287    H3*    A  27           H3*        A  27  11.558  -3.307  -4.631
  288    H2*    A  27           H2*        A  27  11.507  -2.768  -6.893
  289   2HO*    A  27          2HO*        A  27  11.041  -4.196  -8.407
  290    H1*    A  27           H1*        A  27   8.856  -2.945  -7.452
  291    H8     A  27           H8         A  27   9.886  -1.139  -4.177
  292   1H6     A  27          1H6         A  27  10.698   3.894  -7.661
  293   2H6     A  27          2H6         A  27  10.844   3.217  -6.055
  294    H2     A  27           H2         A  27   9.719   0.470 -10.385
  295   1H5*    G  28          1H5*        G  28  13.024  -5.374  -8.031
  296   2H5*    G  28          2H5*        G  28  14.763  -5.027  -7.985
  297    H4*    G  28           H4*        G  28  13.165  -3.755  -9.704
  298    H3*    G  28           H3*        G  28  15.564  -2.928  -8.113
  299    H2*    G  28           H2*        G  28  15.275  -0.657  -8.408
  300   2HO*    G  28          2HO*        G  28  14.617   0.204 -10.254
  301    H1*    G  28           H1*        G  28  12.509  -0.502  -8.742
  302    H8     G  28           H8         G  28  12.902  -2.202  -5.493
  303    H1     G  28           H1         G  28  15.196   3.777  -5.238
  304   1H2     G  28          1H2         G  28  15.303   4.631  -7.272
  305   2H2     G  28          2H2         G  28  15.003   3.672  -8.703
  306   1H5*    C  29          1H5*        C  29  15.367  -0.896 -12.099
  307   2H5*    C  29          2H5*        C  29  16.839  -1.409 -12.948
  308    H4*    C  29           H4*        C  29  16.533   0.933 -13.469
  309    H3*    C  29           H3*        C  29  18.669   0.166 -11.507
  310    H2*    C  29           H2*        C  29  19.226   2.393 -11.045
  311   2HO*    C  29          2HO*        C  29  19.414   3.377 -12.953
  312    H1*    C  29           H1*        C  29  16.701   3.489 -11.051
  313   1H4     C  29          1H4         C  29  18.463   2.248  -5.010
  314   2H4     C  29          2H4         C  29  18.027   0.567  -5.221
  315    H5     C  29           H5         C  29  17.161  -0.318  -7.280
  316    H6     C  29           H6         C  29  16.627   0.184  -9.616
  317   1H5*    A  30          1H5*        A  30  21.289   1.723 -14.955
  318   2H5*    A  30          2H5*        A  30  22.908   1.075 -14.618
  319    H4*    A  30           H4*        A  30  22.410   3.642 -14.192
  320    H3*    A  30           H3*        A  30  23.972   1.599 -12.664
  321    H2*    A  30           H2*        A  30  24.141   2.847 -10.738
  322   2HO*    A  30          2HO*        A  30  25.241   4.539 -11.871
  323    H1*    A  30           H1*        A  30  21.932   4.629 -11.141
  324    H8     A  30           H8         A  30  20.774   1.083 -10.739
  325   1H6     A  30          1H6         A  30  21.203   1.984  -4.639
  326   2H6     A  30          2H6         A  30  20.486   1.006  -5.901
  327    H2     A  30           H2         A  30  23.171   5.446  -6.695
  328   1H5*    A  31          1H5*        A  31  27.071   0.547 -11.911
  329   2H5*    A  31          2H5*        A  31  25.539   1.378 -11.596
  330    H4*    A  31           H4*        A  31  27.713   2.906 -10.443
  331    H3*    A  31           H3*        A  31  28.383   0.227 -10.524
  332    H2*    A  31           H2*        A  31  26.624  -0.698  -9.334
  333   2HO*    A  31          2HO*        A  31  28.300  -1.114  -7.928
  334    H1*    A  31           H1*        A  31  26.284   1.585  -7.453
  335    H8     A  31           H8         A  31  24.242   0.119 -10.431
  336   1H6     A  31          1H6         A  31  20.262  -1.778  -6.079
  337   2H6     A  31          2H6         A  31  20.564  -1.660  -7.799
  338    H2     A  31           H2         A  31  23.723   0.239  -4.049
  339   1H5*    A  32          1H5*        A  32  28.015   4.182  -9.187
  340   2H5*    A  32          2H5*        A  32  29.204   5.428  -9.598
  341    H4*    A  32           H4*        A  32  28.232   6.499  -7.807
  342    H3*    A  32           H3*        A  32  30.555   4.913  -7.055
  343    H2*    A  32           H2*        A  32  29.620   3.780  -5.292
  344   2HO*    A  32          2HO*        A  32  30.558   5.760  -4.291
  345    H1*    A  32           H1*        A  32  27.299   5.656  -5.011
  346    H8     A  32           H8         A  32  27.922   1.913  -6.008
  347   1H6     A  32          1H6         A  32  24.084   0.666  -1.318
  348   2H6     A  32          2H6         A  32  25.166  -0.020  -2.509
  349    H2     A  32           H2         A  32  24.663   5.111  -1.506
  350   1H5*    C  33          1H5*        C  33  28.785   8.413  -7.312
  351   2H5*    C  33          2H5*        C  33  29.219   9.429  -8.700
  352    H4*    C  33           H4*        C  33  28.585  11.297  -7.574
  353    H3*    C  33           H3*        C  33  30.768  10.224  -5.875
  354    H2*    C  33           H2*        C  33  29.893  10.722  -3.838
  355   2HO*    C  33          2HO*        C  33  30.220  12.900  -4.047
  356    H1*    C  33           H1*        C  33  27.229  11.520  -4.578
  357   1H4     C  33          1H4         C  33  26.309   7.118  -0.095
  358   2H4     C  33          2H4         C  33  27.466   6.035  -0.836
  359    H5     C  33           H5         C  33  28.578   6.527  -2.919
  360    H6     C  33           H6         C  33  28.919   8.210  -4.661
  361   1H5*    G  34          1H5*        G  34  32.528  14.069  -4.778
  362   2H5*    G  34          2H5*        G  34  34.148  13.395  -4.511
  363    H4*    G  34           H4*        G  34  32.520  13.870  -2.452
  364    H3*    G  34           H3*        G  34  34.427  11.615  -3.056
  365    H2*    G  34           H2*        G  34  33.707  10.333  -1.290
  366   2HO*    G  34          2HO*        G  34  33.157  12.823  -0.065
  367    H1*    G  34           H1*        G  34  31.118  11.504  -0.936
  368    H8     G  34           H8         G  34  31.877   9.584  -4.185
  369    H1     G  34           H1         G  34  30.099   5.900   0.766
  370   1H2     G  34          1H2         G  34  29.883   7.139   2.579
  371   2H2     G  34          2H2         G  34  30.355   8.823   2.623
  372   1H5*    G  35          1H5*        G  35  35.623  13.861   1.302
  373   2H5*    G  35          2H5*        G  35  37.140  13.021   1.678
  374    H4*    G  35           H4*        G  35  35.122  13.019   3.422
  375    H3*    G  35           H3*        G  35  37.163  10.976   2.617
  376    H2*    G  35           H2*        G  35  36.095   9.177   3.559
  377   2HO*    G  35          2HO*        G  35  35.024  11.076   5.373
  378    H1*    G  35           H1*        G  35  33.428  10.078   3.577
  379    H8     G  35           H8         G  35  35.003  10.034   0.119
  380    H1     G  35           H1         G  35  33.208   4.245   2.209
  381   1H2     G  35          1H2         G  35  32.590   4.362   4.324
  382   2H2     G  35          2H2         G  35  32.796   5.815   5.277
  383   1H5*    A  36          1H5*        A  36  37.177  11.240   7.627
  384   2H5*    A  36          2H5*        A  36  38.640  10.286   7.934
  385    H4*    A  36           H4*        A  36  36.296   9.565   8.989
  386    H3*    A  36           H3*        A  36  38.582   7.977   7.830
  387    H2*    A  36           H2*        A  36  37.413   5.942   7.944
  388   2HO*    A  36          2HO*        A  36  35.255   6.074   9.156
  389    H1*    A  36           H1*        A  36  34.899   6.828   7.294
  390    H8     A  36           H8         A  36  37.327   8.501   4.945
  391   1H6     A  36          1H6         A  36  37.641   3.192   1.814
  392   2H6     A  36          2H6         A  36  38.176   4.856   1.886
  393    H2     A  36           H2         A  36  35.440   2.410   5.645
  394   1H5*    G  37          1H5*        G  37  37.436   5.681  10.812
  395   2H5*    G  37          2H5*        G  37  38.752   5.041  11.815
  396    H4*    G  37           H4*        G  37  37.443   3.208  10.752
  397    H3*    G  37           H3*        G  37  40.339   3.756  10.125
  398    H2*    G  37           H2*        G  37  40.425   2.248   8.402
  399   2HO*    G  37          2HO*        G  37  39.979   0.360   9.303
  400    H1*    G  37           H1*        G  37  37.631   2.091   7.798
  401    H8     G  37           H8         G  37  38.958   5.497   6.977
  402    H1     G  37           H1         G  37  40.780   1.017   2.770
  403   1H2     G  37          1H2         G  37  40.300  -0.989   3.556
  404   2H2     G  37          2H2         G  37  39.379  -1.219   5.025
  405   1H5*    G  38          1H5*        G  38  40.324  -1.110  11.898
  406   2H5*    G  38          2H5*        G  38  42.059  -0.983  12.243
  407    H4*    G  38           H4*        G  38  41.137  -2.958  10.719
  408    H3*    G  38           H3*        G  38  43.603  -1.248  10.582
  409    H2*    G  38           H2*        G  38  44.190  -1.892   8.452
  410   2HO*    G  38          2HO*        G  38  42.916  -4.312   9.154
  411    H1*    G  38           H1*        G  38  41.657  -2.691   7.457
  412    H8     G  38           H8         G  38  41.779   0.941   8.550
  413    H1     G  38           H1         G  38  44.290  -0.109   2.748
  414   1H2     G  38          1H2         G  38  44.426  -2.277   2.363
  415   2H2     G  38          2H2         G  38  44.079  -3.468   3.596
  416   1H5*    C  39          1H5*        C  39  44.419  -5.742   9.984
  417   2H5*    C  39          2H5*        C  39  45.934  -6.127  10.824
  418    H4*    C  39           H4*        C  39  45.864  -7.118   8.533
  419    H3*    C  39           H3*        C  39  47.850  -5.058   9.445
  420    H2*    C  39           H2*        C  39  48.697  -4.628   7.355
  421   2HO*    C  39          2HO*        C  39  49.188  -6.185   5.998
  422    H1*    C  39           H1*        C  39  46.517  -5.449   5.746
  423   1H4     C  39          1H4         C  39  47.220   0.770   4.711
  424   2H4     C  39          2H4         C  39  46.774   1.139   6.359
  425    H5     C  39           H5         C  39  46.159  -0.556   7.969
  426    H6     C  39           H6         C  39  46.026  -2.963   8.390
  427   1H5*    C  40          1H5*        C  40  49.968  -7.928   6.838
  428   2H5*    C  40          2H5*        C  40  51.284  -8.582   7.834
  429    H4*    C  40           H4*        C  40  52.220  -8.023   5.674
  430    H3*    C  40           H3*        C  40  52.779  -6.305   8.067
  431    H2*    C  40           H2*        C  40  53.739  -4.564   6.947
  432   2HO*    C  40          2HO*        C  40  54.713  -4.888   4.837
  433    H1*    C  40           H1*        C  40  52.529  -4.874   4.412
  434   1H4     C  40          1H4         C  40  49.766   0.398   6.614
  435   2H4     C  40          2H4         C  40  49.126  -0.457   7.999
  436    H5     C  40           H5         C  40  49.674  -2.730   8.505
  437    H6     C  40           H6         C  40  51.039  -4.685   7.812
  438    H3T    C  40           H3T        C  40  54.368  -7.864   6.284
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  53.406   7.315   1.994
    2   2H5*    G   1          2H5*        G   1  52.495   6.699   0.601
    3    H4*    G   1           H4*        G   1  54.721   5.603   0.736
    4    H3*    G   1           H3*        G   1  52.122   4.133   1.118
    5    H2*    G   1           H2*        G   1  53.166   2.118   1.812
    6   2HO*    G   1          2HO*        G   1  55.499   3.192   0.598
    7    H1*    G   1           H1*        G   1  55.276   3.120   3.209
    8    H8     G   1           H8         G   1  52.876   5.311   4.713
    9    H1     G   1           H1         G   1  51.230  -0.753   5.991
   10   1H2     G   1          1H2         G   1  52.244  -2.130   4.593
   11   2H2     G   1          2H2         G   1  53.472  -1.588   3.471
   12    H5T    G   1           H5T        G   1  52.015   6.444   3.309
   13   1H5*    G   2          1H5*        G   2  52.391   1.777  -3.227
   14   2H5*    G   2          2H5*        G   2  50.623   1.910  -3.156
   15    H4*    G   2           H4*        G   2  51.806  -0.482  -3.031
   16    H3*    G   2           H3*        G   2  49.485   0.691  -1.494
   17    H2*    G   2           H2*        G   2  49.190  -1.338  -0.295
   18   2HO*    G   2          2HO*        G   2  49.506  -2.858  -1.910
   19    H1*    G   2           H1*        G   2  51.828  -1.662   0.329
   20    H8     G   2           H8         G   2  51.577   1.994   0.450
   21    H1     G   2           H1         G   2  47.867  -0.637   4.967
   22   1H2     G   2          1H2         G   2  47.723  -2.818   4.640
   23   2H2     G   2          2H2         G   2  48.368  -3.593   3.211
   24   1H5*    C   3          1H5*        C   3  47.321  -2.478  -4.135
   25   2H5*    C   3          2H5*        C   3  45.591  -2.087  -4.077
   26    H4*    C   3           H4*        C   3  46.533  -4.223  -2.798
   27    H3*    C   3           H3*        C   3  44.435  -2.180  -2.116
   28    H2*    C   3           H2*        C   3  44.187  -2.880   0.083
   29   2HO*    C   3          2HO*        C   3  45.463  -5.321  -0.638
   30    H1*    C   3           H1*        C   3  46.778  -3.689   0.641
   31   1H4     C   3          1H4         C   3  45.474   2.011   3.321
   32   2H4     C   3          2H4         C   3  46.315   2.772   1.990
   33    H5     C   3           H5         C   3  47.276   1.526   0.164
   34    H6     C   3           H6         C   3  47.423  -0.669  -0.909
   35   1H5*    C   4          1H5*        C   4  41.767  -5.822  -2.000
   36   2H5*    C   4          2H5*        C   4  40.121  -5.195  -2.218
   37    H4*    C   4           H4*        C   4  40.986  -5.974   0.191
   38    H3*    C   4           H3*        C   4  39.212  -3.723  -0.729
   39    H2*    C   4           H2*        C   4  39.228  -2.631   1.291
   40   2HO*    C   4          2HO*        C   4  38.594  -3.803   2.899
   41    H1*    C   4           H1*        C   4  41.670  -3.662   2.364
   42   1H4     C   4          1H4         C   4  41.997   2.703   1.768
   43   2H4     C   4          2H4         C   4  42.740   2.475   0.203
   44    H5     C   4           H5         C   4  43.172   0.278  -0.732
   45    H6     C   4           H6         C   4  42.589  -2.092  -0.590
   46   1H5*    U   5          1H5*        U   5  37.177  -5.560   3.027
   47   2H5*    U   5          2H5*        U   5  35.518  -5.779   2.437
   48    H4*    U   5           H4*        U   5  35.556  -4.665   4.665
   49    H3*    U   5           H3*        U   5  34.515  -3.393   2.152
   50    H2*    U   5           H2*        U   5  34.321  -1.279   3.032
   51   2HO*    U   5          2HO*        U   5  33.020  -1.379   4.696
   52    H1*    U   5           H1*        U   5  36.204  -1.434   5.145
   53    H3     U   5           H3         U   5  37.214   2.381   2.929
   54    H5     U   5           H5         U   5  38.284  -0.681   0.237
   55    H6     U   5           H6         U   5  37.284  -2.279   1.765
   56   1H5*    C   6          1H5*        C   6  31.037  -3.199   5.648
   57   2H5*    C   6          2H5*        C   6  29.609  -2.738   4.700
   58    H4*    C   6           H4*        C   6  30.424  -1.221   6.734
   59    H3*    C   6           H3*        C   6  29.292  -0.591   4.025
   60    H2*    C   6           H2*        C   6  29.816   1.646   4.081
   61   2HO*    C   6          2HO*        C   6  29.366   2.794   5.779
   62    H1*    C   6           H1*        C   6  32.009   1.619   5.848
   63   1H4     C   6          1H4         C   6  34.020   3.384   0.065
   64   2H4     C   6          2H4         C   6  33.782   1.765  -0.550
   65    H5     C   6           H5         C   6  33.010  -0.063   0.823
   66    H6     C   6           H6         C   6  32.113  -0.684   3.019
   67   1H5*    C   7          1H5*        C   7  27.618   2.188   7.188
   68   2H5*    C   7          2H5*        C   7  25.874   2.314   6.881
   69    H4*    C   7           H4*        C   7  26.892   4.558   7.209
   70    H3*    C   7           H3*        C   7  25.665   3.651   4.619
   71    H2*    C   7           H2*        C   7  26.360   5.487   3.415
   72   2HO*    C   7          2HO*        C   7  25.806   7.315   4.264
   73    H1*    C   7           H1*        C   7  28.647   6.215   4.905
   74   1H4     C   7          1H4         C   7  30.548   4.295  -0.858
   75   2H4     C   7          2H4         C   7  29.997   2.666  -0.547
   76    H5     C   7           H5         C   7  29.009   1.989   1.554
   77    H6     C   7           H6         C   7  28.204   2.764   3.729
   78   1H5*    A   8          1H5*        A   8  23.674   7.469   4.252
   79   2H5*    A   8          2H5*        A   8  22.248   6.943   3.338
   80    H4*    A   8           H4*        A   8  24.169   8.322   2.136
   81    H3*    A   8           H3*        A   8  22.312   6.179   1.319
   82    H2*    A   8           H2*        A   8  23.590   5.146  -0.258
   83   2HO*    A   8          2HO*        A   8  24.744   7.638  -0.983
   84    H1*    A   8           H1*        A   8  26.151   6.388   0.146
   85    H8     A   8           H8         A   8  24.629   3.923   2.680
   86   1H6     A   8          1H6         A   8  27.661  -0.474  -0.425
   87   2H6     A   8          2H6         A   8  26.807  -0.088   1.053
   88    H2     A   8           H2         A   8  28.153   3.395  -2.644
   89   1H5*    G   9          1H5*        G   9  22.098  10.325  -1.046
   90   2H5*    G   9          2H5*        G   9  20.410  10.741  -1.405
   91    H4*    G   9           H4*        G   9  22.104  11.103  -3.317
   92    H3*    G   9           H3*        G   9  19.529   9.547  -3.356
   93    H2*    G   9           H2*        G   9  19.817   8.797  -5.546
   94   2HO*    G   9          2HO*        G   9  21.854  10.773  -5.821
   95    H1*    G   9           H1*        G   9  22.566   8.359  -5.465
   96    H8     G   9           H8         G   9  21.772   6.770  -2.326
   97    H1     G   9           H1         G   9  18.757   3.734  -7.109
   98   1H2     G   9          1H2         G   9  18.816   4.958  -8.942
   99   2H2     G   9          2H2         G   9  19.423   6.599  -8.950
  100   1H5*    C  10          1H5*        C  10  19.300  11.583  -6.894
  101   2H5*    C  10          2H5*        C  10  17.803  12.523  -7.050
  102    H4*    C  10           H4*        C  10  18.163  10.990  -8.994
  103    H3*    C  10           H3*        C  10  15.840  10.822  -7.091
  104    H2*    C  10           H2*        C  10  15.055   8.821  -7.907
  105   2HO*    C  10          2HO*        C  10  14.967   8.380 -10.000
  106    H1*    C  10           H1*        C  10  17.447   7.794  -9.046
  107   1H4     C  10          1H4         C  10  15.541   3.842  -4.427
  108   2H4     C  10          2H4         C  10  15.999   5.002  -3.203
  109    H5     C  10           H5         C  10  17.013   7.130  -3.725
  110    H6     C  10           H6         C  10  17.576   8.697  -5.524
  111   1H5*    G  11          1H5*        G  11  13.882  10.106 -10.928
  112   2H5*    G  11          2H5*        G  11  12.328  10.958 -10.825
  113    H4*    G  11           H4*        G  11  12.133   8.447 -11.188
  114    H3*    G  11           H3*        G  11  10.921  10.068  -8.971
  115    H2*    G  11           H2*        G  11  10.273   8.264  -7.702
  116   2HO*    G  11          2HO*        G  11   9.025   7.467  -9.554
  117    H1*    G  11           H1*        G  11  12.061   6.287  -8.692
  118    H8     G  11           H8         G  11  13.250   9.541  -6.939
  119    H1     G  11           H1         G  11  12.317   4.529  -3.048
  120   1H2     G  11          1H2         G  11  11.401   2.863  -4.161
  121   2H2     G  11          2H2         G  11  11.197   2.899  -5.897
  122   1H5*    A  12          1H5*        A  12   8.206   8.229 -12.335
  123   2H5*    A  12          2H5*        A  12   6.935   9.400 -12.744
  124    H4*    A  12           H4*        A  12   5.920   7.247 -13.032
  125    H3*    A  12           H3*        A  12   5.261   8.875 -10.625
  126    H2*    A  12           H2*        A  12   4.356   7.198  -9.347
  127   2HO*    A  12          2HO*        A  12   2.702   6.573 -10.623
  128    H1*    A  12           H1*        A  12   5.580   4.919 -10.433
  129    H8     A  12           H8         A  12   6.680   8.233  -8.654
  130   1H6     A  12          1H6         A  12   9.000   4.493  -4.317
  131   2H6     A  12          2H6         A  12   8.617   6.148  -4.736
  132    H2     A  12           H2         A  12   7.244   1.934  -7.556
  133   1H5*    C  13          1H5*        C  13   2.919  12.219 -10.910
  134   2H5*    C  13          2H5*        C  13   4.481  12.357 -10.076
  135    H4*    C  13           H4*        C  13   2.335  10.332  -9.301
  136    H3*    C  13           H3*        C  13   2.289  13.165  -8.986
  137    H2*    C  13           H2*        C  13   3.926  13.350  -7.345
  138   2HO*    C  13          2HO*        C  13   1.989  13.741  -6.186
  139    H1*    C  13           H1*        C  13   3.338  10.596  -6.273
  140   1H4     C  13          1H4         C  13   9.653  12.368  -5.107
  141   2H4     C  13          2H4         C  13   9.040  11.736  -3.597
  142    H5     C  13           H5         C  13   6.728  11.072  -3.282
  143    H6     C  13           H6         C  13   4.581  10.758  -4.371
  144   1H5*    G  14          1H5*        G  14   0.465   8.679 -10.591
  145   2H5*    G  14          2H5*        G  14  -1.156   8.860  -9.892
  146    H4*    G  14           H4*        G  14  -0.524   6.508  -9.779
  147    H3*    G  14           H3*        G  14  -0.777   8.210  -7.343
  148    H2*    G  14           H2*        G  14   0.328   6.811  -5.898
  149   2HO*    G  14          2HO*        G  14   0.124   4.607  -5.976
  150    H1*    G  14           H1*        G  14   1.820   5.222  -7.721
  151    H8     G  14           H8         G  14   3.126   8.623  -8.159
  152    H1     G  14           H1         G  14   4.748   6.263  -2.428
  153   1H2     G  14          1H2         G  14   3.584   4.433  -2.005
  154   2H2     G  14          2H2         G  14   2.292   3.883  -3.047
  155   1H5*    G  15          1H5*        G  15  -1.986   4.781  -5.686
  156   2H5*    G  15          2H5*        G  15  -3.673   4.897  -5.151
  157    H4*    G  15           H4*        G  15  -2.504   4.187  -3.210
  158    H3*    G  15           H3*        G  15  -3.107   7.132  -3.374
  159    H2*    G  15           H2*        G  15  -1.774   7.685  -1.580
  160   2HO*    G  15          2HO*        G  15  -1.488   6.306   0.184
  161    H1*    G  15           H1*        G  15  -0.078   5.371  -1.559
  162    H8     G  15           H8         G  15   2.107   6.670  -1.198
  163    H1     G  15           H1         G  15   0.523  11.186  -5.455
  164   1H2     G  15          1H2         G  15  -1.443  10.752  -6.334
  165   2H2     G  15          2H2         G  15  -2.462   9.452  -5.756
  166   1H5*    C  16          1H5*        C  16  -6.138   4.831  -0.129
  167   2H5*    C  16          2H5*        C  16  -7.021   6.060   0.797
  168    H4*    C  16           H4*        C  16  -5.532   4.314   2.090
  169    H3*    C  16           H3*        C  16  -5.816   7.298   2.418
  170    H2*    C  16           H2*        C  16  -4.135   7.428   4.032
  171   2HO*    C  16          2HO*        C  16  -4.388   5.922   5.500
  172    H1*    C  16           H1*        C  16  -2.378   5.584   2.996
  173   1H4     C  16          1H4         C  16  -0.591  11.517   1.358
  174   2H4     C  16          2H4         C  16  -1.869  11.586   0.169
  175    H5     C  16           H5         C  16  -3.358   9.751  -0.282
  176    H6     C  16           H6         C  16  -4.047   7.525   0.420
  177   1H5*    C  17          1H5*        C  17  -7.368   6.521   6.825
  178   2H5*    C  17          2H5*        C  17  -8.178   8.094   6.941
  179    H4*    C  17           H4*        C  17  -6.019   7.544   8.421
  180    H3*    C  17           H3*        C  17  -6.834  10.077   6.963
  181    H2*    C  17           H2*        C  17  -4.915  11.173   7.681
  182   2HO*    C  17          2HO*        C  17  -3.852  10.688   9.498
  183    H1*    C  17           H1*        C  17  -3.171   8.994   7.551
  184   1H4     C  17          1H4         C  17  -2.227  13.076   2.709
  185   2H4     C  17          2H4         C  17  -3.478  12.275   1.792
  186    H5     C  17           H5         C  17  -4.708  10.376   2.624
  187    H6     C  17           H6         C  17  -5.153   8.987   4.582
  188   1H5*    U  18          1H5*        U  18  -5.214  12.317   9.915
  189   2H5*    U  18          2H5*        U  18  -6.493  13.501  10.246
  190    H4*    U  18           H4*        U  18  -4.400  14.470   9.177
  191    H3*    U  18           H3*        U  18  -7.222  14.632   8.198
  192    H2*    U  18           H2*        U  18  -6.666  15.572   6.165
  193   2HO*    U  18          2HO*        U  18  -4.563  16.742   7.622
  194    H1*    U  18           H1*        U  18  -3.930  14.682   6.023
  195    H3     U  18           H3         U  18  -5.607  13.641   1.928
  196    H5     U  18           H5         U  18  -7.783  11.203   4.590
  197    H6     U  18           H6         U  18  -6.705  12.350   6.424
  198   1H5*    U  19          1H5*        U  19  -8.148  19.526  10.179
  199   2H5*    U  19          2H5*        U  19  -8.671  19.878   8.520
  200    H4*    U  19           H4*        U  19  -7.359  21.779   9.209
  201    H3*    U  19           H3*        U  19  -6.663  20.130   7.055
  202    H2*    U  19           H2*        U  19  -4.704  19.168   7.852
  203   2HO*    U  19          2HO*        U  19  -3.452  20.297   6.593
  204    H1*    U  19           H1*        U  19  -3.977  21.428   9.670
  205    H3     U  19           H3         U  19  -1.619  18.933  12.569
  206    H5     U  19           H5         U  19  -3.655  16.057  10.262
  207    H6     U  19           H6         U  19  -4.757  17.848   9.098
  208   1H5*    C  20          1H5*        C  20  -4.577  20.177   5.340
  209   2H5*    C  20          2H5*        C  20  -4.387  21.751   4.544
  210    H4*    C  20           H4*        C  20  -3.892  20.272   2.790
  211    H3*    C  20           H3*        C  20  -6.215  21.735   2.601
  212    H2*    C  20           H2*        C  20  -7.712  20.081   3.292
  213   2HO*    C  20          2HO*        C  20  -7.315  19.460   0.532
  214    H1*    C  20           H1*        C  20  -6.282  17.869   1.856
  215   1H4     C  20          1H4         C  20  -9.510  14.334   6.007
  216   2H4     C  20          2H4         C  20  -9.697  15.676   7.114
  217    H5     C  20           H5         C  20  -8.661  17.828   6.743
  218    H6     C  20           H6         C  20  -7.365  19.180   5.176
  219   1H5*    G  21          1H5*        G  21  -1.462  21.115   1.074
  220   2H5*    G  21          2H5*        G  21  -2.010  20.157   2.459
  221    H4*    G  21           H4*        G  21  -1.053  23.057   2.591
  222    H3*    G  21           H3*        G  21   0.249  20.387   2.820
  223    H2*    G  21           H2*        G  21   0.964  20.593   4.982
  224   2HO*    G  21          2HO*        G  21   2.243  22.209   5.339
  225    H1*    G  21           H1*        G  21  -0.706  22.675   5.943
  226    H8     G  21           H8         G  21  -0.608  21.242   8.145
  227    H1     G  21           H1         G  21  -3.240  16.220   5.159
  228   1H2     G  21          1H2         G  21  -3.265  16.555   2.980
  229   2H2     G  21          2H2         G  21  -2.850  18.100   2.271
  230   1H5*    G  22          1H5*        G  22   4.891  19.990   3.408
  231   2H5*    G  22          2H5*        G  22   3.369  19.146   3.058
  232    H4*    G  22           H4*        G  22   4.313  20.127   5.795
  233    H3*    G  22           H3*        G  22   4.404  17.583   4.247
  234    H2*    G  22           H2*        G  22   3.214  16.261   5.724
  235   2HO*    G  22          2HO*        G  22   3.962  16.346   7.680
  236    H1*    G  22           H1*        G  22   1.465  18.055   6.841
  237    H8     G  22           H8         G  22   1.384  18.782   3.168
  238    H1     G  22           H1         G  22  -1.509  13.247   4.588
  239   1H2     G  22          1H2         G  22  -0.982  12.619   6.644
  240   2H2     G  22          2H2         G  22  -0.093  13.655   7.737
  241   1H5*    G  23          1H5*        G  23   5.991  16.083   8.094
  242   2H5*    G  23          2H5*        G  23   7.512  15.279   7.654
  243    H4*    G  23           H4*        G  23   5.963  13.762   8.909
  244    H3*    G  23           H3*        G  23   6.980  13.316   6.129
  245    H2*    G  23           H2*        G  23   5.505  11.650   5.577
  246   2HO*    G  23          2HO*        G  23   5.216  10.001   6.864
  247    H1*    G  23           H1*        G  23   3.439  12.129   7.474
  248    H8     G  23           H8         G  23   4.229  14.873   4.893
  249    H1     G  23           H1         G  23   0.005  10.467   2.939
  250   1H2     G  23          1H2         G  23  -0.136   8.839   4.423
  251   2H2     G  23          2H2         G  23   0.947   8.729   5.793
  252   1H5*    A  24          1H5*        A  24   8.668   8.471   5.915
  253   2H5*    A  24          2H5*        A  24   7.330   9.502   5.366
  254    H4*    A  24           H4*        A  24   6.889   7.414   7.528
  255    H3*    A  24           H3*        A  24   7.443   7.067   4.617
  256    H2*    A  24           H2*        A  24   5.427   6.133   4.038
  257   2HO*    A  24          2HO*        A  24   4.694   4.501   5.132
  258    H1*    A  24           H1*        A  24   3.766   7.037   6.116
  259    H8     A  24           H8         A  24   5.381   9.944   4.325
  260   1H6     A  24          1H6         A  24   1.384   9.186  -0.305
  261   2H6     A  24          2H6         A  24   2.536  10.271   0.440
  262    H2     A  24           H2         A  24   0.856   5.762   2.519
  263   1H5*    C  25          1H5*        C  25   6.801   3.077   5.849
  264   2H5*    C  25          2H5*        C  25   7.771   1.885   4.962
  265    H4*    C  25           H4*        C  25   5.222   1.872   4.486
  266    H3*    C  25           H3*        C  25   7.495   2.047   2.503
  267    H2*    C  25           H2*        C  25   6.093   2.467   0.711
  268   2HO*    C  25          2HO*        C  25   4.062   1.575   0.538
  269    H1*    C  25           H1*        C  25   3.837   3.471   2.144
  270   1H4     C  25          1H4         C  25   5.883   7.900  -1.966
  271   2H4     C  25          2H4         C  25   7.127   8.378  -0.837
  272    H5     C  25           H5         C  25   7.413   7.333   1.319
  273    H6     C  25           H6         C  25   6.750   5.446   2.734
  274   1H5*    U  26          1H5*        U  26   5.795   0.563  -0.490
  275   2H5*    U  26          2H5*        U  26   6.643  -0.967  -0.783
  276    H4*    U  26           H4*        U  26   7.083   0.378  -2.716
  277    H3*    U  26           H3*        U  26   9.213  -0.013  -0.679
  278    H2*    U  26           H2*        U  26  10.492   1.800  -1.204
  279   2HO*    U  26          2HO*        U  26   9.730   1.287  -3.896
  280    H1*    U  26           H1*        U  26   8.680   3.242  -2.924
  281    H3     U  26           H3         U  26  10.378   6.704  -0.616
  282    H5     U  26           H5         U  26   8.913   4.170   2.415
  283    H6     U  26           H6         U  26   8.330   2.560   0.696
  284   1H5*    A  27          1H5*        A  27   8.401  -3.018  -3.703
  285   2H5*    A  27          2H5*        A  27   9.476  -4.357  -3.254
  286    H4*    A  27           H4*        A  27   8.942  -5.081  -5.383
  287    H3*    A  27           H3*        A  27  11.281  -3.221  -5.412
  288    H2*    A  27           H2*        A  27  11.214  -2.742  -7.688
  289   2HO*    A  27          2HO*        A  27  10.758  -4.222  -9.133
  290    H1*    A  27           H1*        A  27   8.556  -2.863  -8.211
  291    H8     A  27           H8         A  27   9.652  -0.980  -5.002
  292   1H6     A  27          1H6         A  27  10.715   3.875  -8.672
  293   2H6     A  27          2H6         A  27  10.565   3.328  -7.018
  294    H2     A  27           H2         A  27   9.512   0.420 -11.261
  295   1H5*    G  28          1H5*        G  28  12.708  -5.507  -8.695
  296   2H5*    G  28          2H5*        G  28  14.452  -5.188  -8.676
  297    H4*    G  28           H4*        G  28  12.865  -3.976 -10.447
  298    H3*    G  28           H3*        G  28  15.291  -3.119  -8.916
  299    H2*    G  28           H2*        G  28  15.038  -0.858  -9.307
  300   2HO*    G  28          2HO*        G  28  13.456  -1.524 -11.577
  301    H1*    G  28           H1*        G  28  12.274  -0.668  -9.644
  302    H8     G  28           H8         G  28  12.658  -2.220  -6.317
  303    H1     G  28           H1         G  28  15.005   3.745  -6.355
  304   1H2     G  28          1H2         G  28  15.117   4.497  -8.428
  305   2H2     G  28          2H2         G  28  14.807   3.471  -9.811
  306   1H5*    C  29          1H5*        C  29  15.089  -1.234 -12.965
  307   2H5*    C  29          2H5*        C  29  16.531  -1.826 -13.812
  308    H4*    C  29           H4*        C  29  16.296   0.499 -14.425
  309    H3*    C  29           H3*        C  29  18.419  -0.244 -12.438
  310    H2*    C  29           H2*        C  29  19.042   1.983 -12.074
  311   2HO*    C  29          2HO*        C  29  19.188   3.181 -13.785
  312    H1*    C  29           H1*        C  29  16.544   3.151 -12.136
  313   1H4     C  29          1H4         C  29  18.415   2.137  -6.072
  314   2H4     C  29          2H4         C  29  17.662   0.560  -6.125
  315    H5     C  29           H5         C  29  16.908  -0.461  -8.170
  316    H6     C  29           H6         C  29  16.390  -0.072 -10.531
  317   1H5*    A  30          1H5*        A  30  21.112   1.064 -15.939
  318   2H5*    A  30          2H5*        A  30  22.700   0.378 -15.539
  319    H4*    A  30           H4*        A  30  22.264   2.983 -15.242
  320    H3*    A  30           H3*        A  30  23.769   0.969 -13.618
  321    H2*    A  30           H2*        A  30  23.974   2.302 -11.755
  322   2HO*    A  30          2HO*        A  30  24.843   4.178 -12.039
  323    H1*    A  30           H1*        A  30  21.806   4.115 -12.241
  324    H8     A  30           H8         A  30  20.560   0.619 -11.685
  325   1H6     A  30          1H6         A  30  20.973   1.796  -5.631
  326   2H6     A  30          2H6         A  30  20.240   0.778  -6.851
  327    H2     A  30           H2         A  30  23.039   5.109  -7.835
  328   1H5*    A  31          1H5*        A  31  26.844  -0.105 -12.788
  329   2H5*    A  31          2H5*        A  31  25.341   0.792 -12.513
  330    H4*    A  31           H4*        A  31  27.565   2.319 -11.462
  331    H3*    A  31           H3*        A  31  28.167  -0.379 -11.401
  332    H2*    A  31           H2*        A  31  26.399  -1.191 -10.143
  333   2HO*    A  31          2HO*        A  31  28.133  -0.052  -8.195
  334    H1*    A  31           H1*        A  31  26.142   1.203  -8.390
  335    H8     A  31           H8         A  31  24.025  -0.387 -11.250
  336   1H6     A  31          1H6         A  31  20.089  -1.969  -6.740
  337   2H6     A  31          2H6         A  31  20.323  -1.875  -8.471
  338    H2     A  31           H2         A  31  23.597   0.130  -4.880
  339   1H5*    A  32          1H5*        A  32  27.910   3.637 -10.257
  340   2H5*    A  32          2H5*        A  32  29.116   4.832 -10.761
  341    H4*    A  32           H4*        A  32  28.205   6.025  -9.017
  342    H3*    A  32           H3*        A  32  30.502   4.426  -8.210
  343    H2*    A  32           H2*        A  32  29.562   3.419  -6.373
  344   2HO*    A  32          2HO*        A  32  29.793   4.618  -4.628
  345    H1*    A  32           H1*        A  32  27.303   5.385  -6.174
  346    H8     A  32           H8         A  32  27.792   1.563  -6.923
  347   1H6     A  32          1H6         A  32  23.955   0.769  -2.133
  348   2H6     A  32          2H6         A  32  24.998  -0.033  -3.285
  349    H2     A  32           H2         A  32  24.691   5.169  -2.618
  350   1H5*    C  33          1H5*        C  33  28.787   7.949  -8.655
  351   2H5*    C  33          2H5*        C  33  29.221   8.875 -10.105
  352    H4*    C  33           H4*        C  33  28.650  10.818  -9.078
  353    H3*    C  33           H3*        C  33  30.820   9.788  -7.337
  354    H2*    C  33           H2*        C  33  29.982  10.446  -5.328
  355   2HO*    C  33          2HO*        C  33  30.362  12.625  -5.864
  356    H1*    C  33           H1*        C  33  27.324  11.230  -6.076
  357   1H4     C  33          1H4         C  33  26.389   7.054  -1.384
  358   2H4     C  33          2H4         C  33  27.524   5.923  -2.084
  359    H5     C  33           H5         C  33  28.622   6.300  -4.197
  360    H6     C  33           H6         C  33  28.980   7.900  -6.013
  361   1H5*    G  34          1H5*        G  34  32.745  13.686  -6.616
  362   2H5*    G  34          2H5*        G  34  34.342  12.979  -6.305
  363    H4*    G  34           H4*        G  34  32.766  13.712  -4.283
  364    H3*    G  34           H3*        G  34  34.573  11.332  -4.686
  365    H2*    G  34           H2*        G  34  33.834  10.266  -2.784
  366   2HO*    G  34          2HO*        G  34  33.430  11.304  -0.936
  367    H1*    G  34           H1*        G  34  31.293  11.558  -2.533
  368    H8     G  34           H8         G  34  31.957   9.307  -5.588
  369    H1     G  34           H1         G  34  30.066   6.189  -0.298
  370   1H2     G  34          1H2         G  34  30.050   7.576   1.419
  371   2H2     G  34          2H2         G  34  30.299   9.296   1.232
  372   1H5*    G  35          1H5*        G  35  35.806  13.997  -0.651
  373   2H5*    G  35          2H5*        G  35  37.306  13.218  -0.112
  374    H4*    G  35           H4*        G  35  35.228  13.452   1.544
  375    H3*    G  35           H3*        G  35  37.287  11.320   1.098
  376    H2*    G  35           H2*        G  35  36.178   9.664   2.234
  377   2HO*    G  35          2HO*        G  35  35.047  11.786   3.738
  378    H1*    G  35           H1*        G  35  33.514  10.569   2.044
  379    H8     G  35           H8         G  35  35.149  10.035  -1.339
  380    H1     G  35           H1         G  35  33.383   4.592   1.554
  381   1H2     G  35          1H2         G  35  32.726   5.013   3.618
  382   2H2     G  35          2H2         G  35  32.903   6.593   4.349
  383   1H5*    A  36          1H5*        A  36  37.114  12.387   6.024
  384   2H5*    A  36          2H5*        A  36  38.527  11.454   6.553
  385    H4*    A  36           H4*        A  36  36.124  11.011   7.625
  386    H3*    A  36           H3*        A  36  38.390   9.175   6.865
  387    H2*    A  36           H2*        A  36  37.130   7.217   7.274
  388   2HO*    A  36          2HO*        A  36  35.406   8.932   8.741
  389    H1*    A  36           H1*        A  36  34.717   8.015   6.319
  390    H8     A  36           H8         A  36  37.246   9.322   3.868
  391   1H6     A  36          1H6         A  36  37.797   3.588   1.663
  392   2H6     A  36          2H6         A  36  38.297   5.254   1.485
  393    H2     A  36           H2         A  36  35.424   3.386   5.468
  394   1H5*    G  37          1H5*        G  37  37.056   7.534  10.123
  395   2H5*    G  37          2H5*        G  37  38.255   7.027  11.329
  396    H4*    G  37           H4*        G  37  36.951   5.084  10.494
  397    H3*    G  37           H3*        G  37  39.897   5.442  10.016
  398    H2*    G  37           H2*        G  37  40.069   3.687   8.545
  399   2HO*    G  37          2HO*        G  37  39.464   1.907   9.492
  400    H1*    G  37           H1*        G  37  37.345   3.508   7.712
  401    H8     G  37           H8         G  37  38.847   6.775   6.630
  402    H1     G  37           H1         G  37  40.867   1.799   3.125
  403   1H2     G  37          1H2         G  37  40.280  -0.093   4.104
  404   2H2     G  37          2H2         G  37  39.275  -0.132   5.536
  405   1H5*    G  38          1H5*        G  38  39.194   1.114  12.257
  406   2H5*    G  38          2H5*        G  38  40.845   0.733  12.783
  407    H4*    G  38           H4*        G  38  39.511  -0.944  11.197
  408    H3*    G  38           H3*        G  38  42.384  -0.085  11.340
  409    H2*    G  38           H2*        G  38  42.973  -0.901   9.282
  410   2HO*    G  38          2HO*        G  38  40.946  -2.827   9.743
  411    H1*    G  38           H1*        G  38  40.437  -0.990   8.014
  412    H8     G  38           H8         G  38  41.485   2.507   9.025
  413    H1     G  38           H1         G  38  44.436   0.378   3.746
  414   1H2     G  38          1H2         G  38  43.992  -1.766   3.448
  415   2H2     G  38          2H2         G  38  43.138  -2.716   4.643
  416   1H5*    C  39          1H5*        C  39  42.003  -4.647  10.468
  417   2H5*    C  39          2H5*        C  39  43.278  -5.387  11.455
  418    H4*    C  39           H4*        C  39  43.286  -6.225   9.090
  419    H3*    C  39           H3*        C  39  45.549  -4.724  10.384
  420    H2*    C  39           H2*        C  39  46.762  -4.507   8.443
  421   2HO*    C  39          2HO*        C  39  46.936  -6.075   6.978
  422    H1*    C  39           H1*        C  39  44.663  -4.730   6.544
  423   1H4     C  39          1H4         C  39  47.322   1.027   5.959
  424   2H4     C  39          2H4         C  39  46.666   1.522   7.502
  425    H5     C  39           H5         C  39  45.270   0.088   8.860
  426    H6     C  39           H6         C  39  44.400  -2.181   9.133
  427   1H5*    C  40          1H5*        C  40  47.131  -8.089   7.760
  428   2H5*    C  40          2H5*        C  40  48.064  -9.065   8.912
  429    H4*    C  40           H4*        C  40  49.403  -8.891   6.908
  430    H3*    C  40           H3*        C  40  50.128  -7.274   9.321
  431    H2*    C  40           H2*        C  40  51.699  -5.974   8.283
  432   2HO*    C  40          2HO*        C  40  52.006  -8.039   6.343
  433    H1*    C  40           H1*        C  40  50.777  -6.132   5.608
  434   1H4     C  40          1H4         C  40  50.256  -0.087   7.587
  435   2H4     C  40          2H4         C  40  48.994  -0.534   8.711
  436    H5     C  40           H5         C  40  48.452  -2.821   9.218
  437    H6     C  40           H6         C  40  48.580  -5.114   8.393
  438    H3T    C  40           H3T        C  40  51.689  -8.791   9.459
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  51.520   7.967  -0.970
    2   2H5*    G   1          2H5*        G   1  50.379   7.224  -2.109
    3    H4*    G   1           H4*        G   1  52.511   5.908  -1.927
    4    H3*    G   1           H3*        G   1  49.806   4.851  -1.094
    5    H2*    G   1           H2*        G   1  50.700   2.876  -0.219
    6   2HO*    G   1          2HO*        G   1  51.837   1.997  -1.798
    7    H1*    G   1           H1*        G   1  53.220   3.799   0.536
    8    H8     G   1           H8         G   1  50.653   6.010   2.134
    9    H1     G   1           H1         G   1  51.013   0.251   4.926
   10   1H2     G   1          1H2         G   1  52.135  -1.148   3.643
   11   2H2     G   1          2H2         G   1  52.934  -0.636   2.173
   12    H5T    G   1           H5T        G   1  49.133   6.565  -0.466
   13   1H5*    G   2          1H5*        G   2  50.581   2.025  -4.772
   14   2H5*    G   2          2H5*        G   2  48.957   1.931  -5.485
   15    H4*    G   2           H4*        G   2  49.757  -0.325  -4.842
   16    H3*    G   2           H3*        G   2  47.482   1.025  -3.386
   17    H2*    G   2           H2*        G   2  47.178  -0.824  -1.972
   18   2HO*    G   2          2HO*        G   2  48.624  -2.208  -3.963
   19    H1*    G   2           H1*        G   2  49.843  -1.397  -1.555
   20    H8     G   2           H8         G   2  48.899   2.345  -1.573
   21    H1     G   2           H1         G   2  47.889  -0.594   4.034
   22   1H2     G   2          1H2         G   2  48.251  -2.765   3.827
   23   2H2     G   2          2H2         G   2  48.561  -3.517   2.279
   24   1H5*    C   3          1H5*        C   3  45.557  -2.653  -5.247
   25   2H5*    C   3          2H5*        C   3  43.795  -2.491  -5.126
   26    H4*    C   3           H4*        C   3  45.086  -4.262  -3.618
   27    H3*    C   3           H3*        C   3  42.774  -2.417  -3.084
   28    H2*    C   3           H2*        C   3  42.795  -2.714  -0.809
   29   2HO*    C   3          2HO*        C   3  43.994  -5.248  -1.301
   30    H1*    C   3           H1*        C   3  45.490  -3.524  -0.442
   31   1H4     C   3          1H4         C   3  44.287   1.927   2.691
   32   2H4     C   3          2H4         C   3  44.782   2.820   1.273
   33    H5     C   3           H5         C   3  45.117   1.784  -0.882
   34    H6     C   3           H6         C   3  45.264  -0.345  -2.081
   35   1H5*    C   4          1H5*        C   4  41.661  -6.306  -1.095
   36   2H5*    C   4          2H5*        C   4  39.912  -6.463  -1.351
   37    H4*    C   4           H4*        C   4  40.617  -6.533   1.086
   38    H3*    C   4           H3*        C   4  38.691  -4.577  -0.153
   39    H2*    C   4           H2*        C   4  38.523  -3.283   1.733
   40   2HO*    C   4          2HO*        C   4  37.866  -5.227   2.948
   41    H1*    C   4           H1*        C   4  40.982  -3.980   2.997
   42   1H4     C   4          1H4         C   4  40.938   2.297   1.915
   43   2H4     C   4          2H4         C   4  40.918   2.043   0.186
   44    H5     C   4           H5         C   4  40.913  -0.150  -0.826
   45    H6     C   4           H6         C   4  40.928  -2.564  -0.386
   46   1H5*    U   5          1H5*        U   5  36.435  -6.177   3.742
   47   2H5*    U   5          2H5*        U   5  34.800  -6.240   3.057
   48    H4*    U   5           H4*        U   5  34.958  -4.916   5.207
   49    H3*    U   5           H3*        U   5  34.010  -3.837   2.554
   50    H2*    U   5           H2*        U   5  33.858  -1.670   3.315
   51   2HO*    U   5          2HO*        U   5  33.095  -1.168   5.258
   52    H1*    U   5           H1*        U   5  35.715  -1.818   5.475
   53    H3     U   5           H3         U   5  36.882   1.947   3.278
   54    H5     U   5           H5         U   5  37.768  -1.136   0.545
   55    H6     U   5           H6         U   5  36.722  -2.699   2.070
   56   1H5*    C   6          1H5*        C   6  30.538  -3.372   6.065
   57   2H5*    C   6          2H5*        C   6  29.130  -2.839   5.126
   58    H4*    C   6           H4*        C   6  30.033  -1.367   7.155
   59    H3*    C   6           H3*        C   6  28.928  -0.671   4.450
   60    H2*    C   6           H2*        C   6  29.557   1.535   4.528
   61   2HO*    C   6          2HO*        C   6  29.277   2.726   6.262
   62    H1*    C   6           H1*        C   6  31.723   1.384   6.337
   63   1H4     C   6          1H4         C   6  33.873   3.280   0.648
   64   2H4     C   6          2H4         C   6  33.608   1.688  -0.020
   65    H5     C   6           H5         C   6  32.771  -0.164   1.284
   66    H6     C   6           H6         C   6  31.809  -0.826   3.439
   67   1H5*    C   7          1H5*        C   7  27.349   2.129   7.698
   68   2H5*    C   7          2H5*        C   7  25.612   2.304   7.379
   69    H4*    C   7           H4*        C   7  26.640   4.515   7.785
   70    H3*    C   7           H3*        C   7  25.523   3.708   5.112
   71    H2*    C   7           H2*        C   7  26.282   5.589   4.011
   72   2HO*    C   7          2HO*        C   7  25.373   6.810   6.089
   73    H1*    C   7           H1*        C   7  28.537   6.196   5.592
   74   1H4     C   7          1H4         C   7  30.572   4.343  -0.148
   75   2H4     C   7          2H4         C   7  29.988   2.717   0.124
   76    H5     C   7           H5         C   7  28.928   2.026   2.184
   77    H6     C   7           H6         C   7  28.060   2.786   4.340
   78   1H5*    A   8          1H5*        A   8  23.613   7.529   4.677
   79   2H5*    A   8          2H5*        A   8  22.219   7.012   3.710
   80    H4*    A   8           H4*        A   8  24.201   8.361   2.579
   81    H3*    A   8           H3*        A   8  22.330   6.266   1.703
   82    H2*    A   8           H2*        A   8  23.646   5.136   0.225
   83   2HO*    A   8          2HO*        A   8  23.777   6.445  -1.428
   84    H1*    A   8           H1*        A   8  26.228   6.302   0.687
   85    H8     A   8           H8         A   8  24.534   3.999   3.262
   86   1H6     A   8          1H6         A   8  27.545  -0.615   0.464
   87   2H6     A   8          2H6         A   8  26.643  -0.143   1.886
   88    H2     A   8           H2         A   8  28.229   3.139  -1.899
   89   1H5*    G   9          1H5*        G   9  22.464  10.247  -0.861
   90   2H5*    G   9          2H5*        G   9  20.826  10.778  -1.293
   91    H4*    G   9           H4*        G   9  22.576  10.884  -3.176
   92    H3*    G   9           H3*        G   9  19.906   9.488  -3.192
   93    H2*    G   9           H2*        G   9  20.203   8.599  -5.327
   94   2HO*    G   9          2HO*        G   9  21.195   9.670  -6.838
   95    H1*    G   9           H1*        G   9  22.927   8.030  -5.147
   96    H8     G   9           H8         G   9  21.935   6.620  -1.971
   97    H1     G   9           H1         G   9  18.969   3.527  -6.748
   98   1H2     G   9          1H2         G   9  19.159   4.672  -8.626
   99   2H2     G   9          2H2         G   9  19.845   6.280  -8.672
  100   1H5*    C  10          1H5*        C  10  19.732  11.465  -6.834
  101   2H5*    C  10          2H5*        C  10  18.189  12.316  -7.043
  102    H4*    C  10           H4*        C  10  18.696  10.612  -8.855
  103    H3*    C  10           H3*        C  10  16.270  10.644  -7.069
  104    H2*    C  10           H2*        C  10  15.503   8.600  -7.784
  105   2HO*    C  10          2HO*        C  10  15.367   8.166  -9.839
  106    H1*    C  10           H1*        C  10  17.959   7.512  -8.762
  107   1H4     C  10          1H4         C  10  15.650   3.673  -4.228
  108   2H4     C  10          2H4         C  10  16.130   4.809  -2.989
  109    H5     C  10           H5         C  10  17.265   6.886  -3.479
  110    H6     C  10           H6         C  10  17.966   8.417  -5.258
  111   1H5*    G  11          1H5*        G  11  14.597   9.717 -11.092
  112   2H5*    G  11          2H5*        G  11  13.101  10.668 -11.173
  113    H4*    G  11           H4*        G  11  12.750   8.188 -11.522
  114    H3*    G  11           H3*        G  11  11.477   9.905  -9.420
  115    H2*    G  11           H2*        G  11  10.651   8.172  -8.162
  116   2HO*    G  11          2HO*        G  11   9.863   6.294  -9.066
  117    H1*    G  11           H1*        G  11  12.344   6.055  -9.023
  118    H8     G  11           H8         G  11  13.544   9.276  -7.196
  119    H1     G  11           H1         G  11  12.254   4.278  -3.390
  120   1H2     G  11          1H2         G  11  11.376   2.633  -4.566
  121   2H2     G  11          2H2         G  11  11.289   2.677  -6.312
  122   1H5*    A  12          1H5*        A  12   8.225   8.299 -13.004
  123   2H5*    A  12          2H5*        A  12   7.043   9.612 -12.826
  124    H4*    A  12           H4*        A  12   5.907   7.435 -13.210
  125    H3*    A  12           H3*        A  12   5.650   9.107 -10.753
  126    H2*    A  12           H2*        A  12   4.731   7.506  -9.391
  127   2HO*    A  12          2HO*        A  12   2.907   7.098 -10.565
  128    H1*    A  12           H1*        A  12   5.613   5.138 -10.618
  129    H8     A  12           H8         A  12   7.178   8.281  -8.882
  130   1H6     A  12          1H6         A  12   9.446   4.226  -4.811
  131   2H6     A  12          2H6         A  12   9.189   5.921  -5.163
  132    H2     A  12           H2         A  12   7.211   1.932  -7.951
  133   1H5*    C  13          1H5*        C  13   2.226  12.010 -10.544
  134   2H5*    C  13          2H5*        C  13   3.833  12.502  -9.969
  135    H4*    C  13           H4*        C  13   1.981  10.653  -8.402
  136    H3*    C  13           H3*        C  13   1.903  13.540  -8.857
  137    H2*    C  13           H2*        C  13   2.964  14.281  -6.989
  138   2HO*    C  13          2HO*        C  13   2.169  13.433  -4.906
  139    H1*    C  13           H1*        C  13   3.464  11.736  -5.626
  140   1H4     C  13          1H4         C  13   8.804  15.106  -4.818
  141   2H4     C  13          2H4         C  13   9.068  15.166  -6.546
  142    H5     C  13           H5         C  13   7.495  14.296  -8.154
  143    H6     C  13           H6         C  13   5.361  13.145  -8.449
  144   1H5*    G  14          1H5*        G  14   1.046   9.547 -10.457
  145   2H5*    G  14          2H5*        G  14  -0.724   9.415 -10.457
  146    H4*    G  14           H4*        G  14  -0.191   7.168 -10.200
  147    H3*    G  14           H3*        G  14  -0.483   8.595  -7.597
  148    H2*    G  14           H2*        G  14   0.649   7.082  -6.298
  149   2HO*    G  14          2HO*        G  14  -0.008   5.061  -8.194
  150    H1*    G  14           H1*        G  14   2.230   5.763  -8.239
  151    H8     G  14           H8         G  14   3.456   9.159  -8.488
  152    H1     G  14           H1         G  14   4.866   6.728  -2.727
  153   1H2     G  14          1H2         G  14   3.732   4.860  -2.399
  154   2H2     G  14          2H2         G  14   2.486   4.316  -3.499
  155   1H5*    G  15          1H5*        G  15  -1.831   5.071  -6.125
  156   2H5*    G  15          2H5*        G  15  -3.540   5.256  -5.690
  157    H4*    G  15           H4*        G  15  -2.502   4.453  -3.704
  158    H3*    G  15           H3*        G  15  -3.045   7.410  -3.828
  159    H2*    G  15           H2*        G  15  -1.802   7.909  -1.957
  160   2HO*    G  15          2HO*        G  15  -3.172   5.959  -0.960
  161    H1*    G  15           H1*        G  15  -0.132   5.582  -1.882
  162    H8     G  15           H8         G  15   2.096   6.813  -1.496
  163    H1     G  15           H1         G  15   0.598  11.502  -5.585
  164   1H2     G  15          1H2         G  15  -1.428  11.205  -6.380
  165   2H2     G  15          2H2         G  15  -2.356   9.757  -6.065
  166   1H5*    C  16          1H5*        C  16  -5.797   4.843  -0.768
  167   2H5*    C  16          2H5*        C  16  -7.005   5.843   0.063
  168    H4*    C  16           H4*        C  16  -5.564   4.342   1.571
  169    H3*    C  16           H3*        C  16  -5.991   7.318   1.792
  170    H2*    C  16           H2*        C  16  -4.489   7.557   3.555
  171   2HO*    C  16          2HO*        C  16  -5.354   5.816   4.792
  172    H1*    C  16           H1*        C  16  -2.592   5.706   2.794
  173   1H4     C  16          1H4         C  16  -0.624  11.605   1.283
  174   2H4     C  16          2H4         C  16  -1.812  11.696   0.006
  175    H5     C  16           H5         C  16  -3.281   9.878  -0.570
  176    H6     C  16           H6         C  16  -4.039   7.650   0.062
  177   1H5*    C  17          1H5*        C  17  -7.699   6.477   6.194
  178   2H5*    C  17          2H5*        C  17  -8.549   8.032   6.251
  179    H4*    C  17           H4*        C  17  -6.489   7.526   7.881
  180    H3*    C  17           H3*        C  17  -7.235  10.049   6.366
  181    H2*    C  17           H2*        C  17  -5.405  11.174   7.261
  182   2HO*    C  17          2HO*        C  17  -4.519  10.705   9.164
  183    H1*    C  17           H1*        C  17  -3.622   9.021   7.245
  184   1H4     C  17          1H4         C  17  -2.292  13.159   2.559
  185   2H4     C  17          2H4         C  17  -3.509  12.418   1.548
  186    H5     C  17           H5         C  17  -4.831  10.529   2.252
  187    H6     C  17           H6         C  17  -5.434   9.109   4.145
  188   1H5*    U  18          1H5*        U  18  -5.902  12.197   9.461
  189   2H5*    U  18          2H5*        U  18  -7.173  13.402   9.735
  190    H4*    U  18           H4*        U  18  -4.985  14.356   8.873
  191    H3*    U  18           H3*        U  18  -7.713  14.617   7.667
  192    H2*    U  18           H2*        U  18  -6.964  15.618   5.727
  193   2HO*    U  18          2HO*        U  18  -4.871  16.631   7.339
  194    H1*    U  18           H1*        U  18  -4.245  14.673   5.784
  195    H3     U  18           H3         U  18  -5.603  13.848   1.524
  196    H5     U  18           H5         U  18  -8.020  11.334   3.890
  197    H6     U  18           H6         U  18  -7.074  12.376   5.855
  198   1H5*    U  19          1H5*        U  19  -8.637  19.486   9.754
  199   2H5*    U  19          2H5*        U  19  -9.043  19.899   8.078
  200    H4*    U  19           H4*        U  19  -7.722  21.738   8.893
  201    H3*    U  19           H3*        U  19  -6.929  20.123   6.751
  202    H2*    U  19           H2*        U  19  -5.062  19.070   7.655
  203   2HO*    U  19          2HO*        U  19  -4.270  21.697   7.044
  204    H1*    U  19           H1*        U  19  -4.384  21.256   9.579
  205    H3     U  19           H3         U  19  -2.343  18.601  12.577
  206    H5     U  19           H5         U  19  -4.298  15.864  10.045
  207    H6     U  19           H6         U  19  -5.252  17.723   8.857
  208   1H5*    C  20          1H5*        C  20  -4.644  20.222   5.160
  209   2H5*    C  20          2H5*        C  20  -4.427  21.806   4.387
  210    H4*    C  20           H4*        C  20  -3.843  20.311   2.659
  211    H3*    C  20           H3*        C  20  -6.103  21.857   2.359
  212    H2*    C  20           H2*        C  20  -7.685  20.233   2.925
  213   2HO*    C  20          2HO*        C  20  -8.433  20.598   0.921
  214    H1*    C  20           H1*        C  20  -6.223  18.022   1.517
  215   1H4     C  20          1H4         C  20  -9.839  14.450   5.302
  216   2H4     C  20          2H4         C  20 -10.071  15.760   6.436
  217    H5     C  20           H5         C  20  -8.952  17.891   6.217
  218    H6     C  20           H6         C  20  -7.513  19.257   4.792
  219   1H5*    G  21          1H5*        G  21  -1.276  21.142   1.163
  220   2H5*    G  21          2H5*        G  21  -1.958  20.171   2.476
  221    H4*    G  21           H4*        G  21  -0.960  23.045   2.761
  222    H3*    G  21           H3*        G  21   0.291  20.353   2.990
  223    H2*    G  21           H2*        G  21   0.842  20.469   5.206
  224   2HO*    G  21          2HO*        G  21   2.269  22.214   4.874
  225    H1*    G  21           H1*        G  21  -0.856  22.561   6.109
  226    H8     G  21           H8         G  21  -0.921  21.064   8.273
  227    H1     G  21           H1         G  21  -3.482  16.198   4.984
  228   1H2     G  21          1H2         G  21  -3.343  16.586   2.817
  229   2H2     G  21          2H2         G  21  -2.845  18.137   2.180
  230   1H5*    G  22          1H5*        G  22   4.903  19.897   3.844
  231   2H5*    G  22          2H5*        G  22   3.395  19.074   3.394
  232    H4*    G  22           H4*        G  22   4.214  19.969   6.200
  233    H3*    G  22           H3*        G  22   4.340  17.470   4.584
  234    H2*    G  22           H2*        G  22   3.059  16.125   5.961
  235   2HO*    G  22          2HO*        G  22   3.496  17.954   8.096
  236    H1*    G  22           H1*        G  22   1.283  17.912   7.043
  237    H8     G  22           H8         G  22   1.423  18.748   3.392
  238    H1     G  22           H1         G  22  -1.680  13.254   4.491
  239   1H2     G  22          1H2         G  22  -1.285  12.557   6.554
  240   2H2     G  22          2H2         G  22  -0.434  13.539   7.724
  241   1H5*    G  23          1H5*        G  23   5.707  15.879   8.442
  242   2H5*    G  23          2H5*        G  23   7.230  15.037   8.093
  243    H4*    G  23           H4*        G  23   5.566  13.551   9.228
  244    H3*    G  23           H3*        G  23   6.736  13.105   6.508
  245    H2*    G  23           H2*        G  23   5.249  11.485   5.849
  246   2HO*    G  23          2HO*        G  23   4.779   9.845   7.110
  247    H1*    G  23           H1*        G  23   3.084  12.011   7.618
  248    H8     G  23           H8         G  23   4.129  14.755   5.126
  249    H1     G  23           H1         G  23  -0.122  10.525   2.866
  250   1H2     G  23          1H2         G  23  -0.407   8.887   4.316
  251   2H2     G  23          2H2         G  23   0.582   8.726   5.750
  252   1H5*    A  24          1H5*        A  24   8.191   8.502   5.918
  253   2H5*    A  24          2H5*        A  24   6.865   9.640   5.602
  254    H4*    A  24           H4*        A  24   6.337   7.342   7.481
  255    H3*    A  24           H3*        A  24   7.097   7.165   4.598
  256    H2*    A  24           H2*        A  24   5.136   6.234   3.842
  257   2HO*    A  24          2HO*        A  24   4.126   4.666   4.896
  258    H1*    A  24           H1*        A  24   3.329   7.054   5.826
  259    H8     A  24           H8         A  24   5.157   9.973   4.221
  260   1H6     A  24          1H6         A  24   1.357   9.488  -0.613
  261   2H6     A  24          2H6         A  24   2.518  10.506   0.210
  262    H2     A  24           H2         A  24   0.533   6.044   2.119
  263   1H5*    C  25          1H5*        C  25   6.467   3.062   5.538
  264   2H5*    C  25          2H5*        C  25   7.444   1.978   4.526
  265    H4*    C  25           H4*        C  25   4.856   2.119   4.064
  266    H3*    C  25           H3*        C  25   7.188   2.215   2.149
  267    H2*    C  25           H2*        C  25   5.870   2.798   0.342
  268   2HO*    C  25          2HO*        C  25   3.806   1.387   1.691
  269    H1*    C  25           H1*        C  25   3.635   3.879   1.763
  270   1H4     C  25          1H4         C  25   6.019   8.312  -2.160
  271   2H4     C  25          2H4         C  25   7.195   8.745  -0.943
  272    H5     C  25           H5         C  25   7.326   7.651   1.205
  273    H6     C  25           H6         C  25   6.546   5.745   2.532
  274   1H5*    U  26          1H5*        U  26   5.450   0.986  -1.017
  275   2H5*    U  26          2H5*        U  26   6.193  -0.598  -1.312
  276    H4*    U  26           H4*        U  26   6.872   0.707  -3.179
  277    H3*    U  26           H3*        U  26   8.838   0.296  -0.977
  278    H2*    U  26           H2*        U  26  10.247   2.015  -1.511
  279   2HO*    U  26          2HO*        U  26  10.872   1.137  -3.469
  280    H1*    U  26           H1*        U  26   8.568   3.569  -3.231
  281    H3     U  26           H3         U  26  10.106   6.911  -0.663
  282    H5     U  26           H5         U  26   8.631   4.160   2.168
  283    H6     U  26           H6         U  26   8.094   2.664   0.337
  284   1H5*    A  27          1H5*        A  27   8.157  -2.801  -3.926
  285   2H5*    A  27          2H5*        A  27   9.172  -4.138  -3.348
  286    H4*    A  27           H4*        A  27   8.736  -4.954  -5.470
  287    H3*    A  27           H3*        A  27  11.132  -3.166  -5.448
  288    H2*    A  27           H2*        A  27  11.217  -2.801  -7.741
  289   2HO*    A  27          2HO*        A  27  10.762  -4.320  -9.156
  290    H1*    A  27           H1*        A  27   8.587  -2.866  -8.417
  291    H8     A  27           H8         A  27   9.559  -0.866  -5.239
  292   1H6     A  27          1H6         A  27  10.981   3.773  -9.062
  293   2H6     A  27          2H6         A  27  10.713   3.316  -7.396
  294    H2     A  27           H2         A  27   9.802   0.245 -11.552
  295   1H5*    G  28          1H5*        G  28  12.600  -5.512  -8.688
  296   2H5*    G  28          2H5*        G  28  14.351  -5.254  -8.564
  297    H4*    G  28           H4*        G  28  12.918  -4.001 -10.436
  298    H3*    G  28           H3*        G  28  15.277  -3.218  -8.767
  299    H2*    G  28           H2*        G  28  15.136  -0.953  -9.192
  300   2HO*    G  28          2HO*        G  28  14.133  -1.842 -11.633
  301    H1*    G  28           H1*        G  28  12.404  -0.653  -9.650
  302    H8     G  28           H8         G  28  12.567  -2.260  -6.331
  303    H1     G  28           H1         G  28  15.169   3.596  -6.175
  304   1H2     G  28          1H2         G  28  15.399   4.370  -8.233
  305   2H2     G  28          2H2         G  28  15.103   3.377  -9.641
  306   1H5*    C  29          1H5*        C  29  15.475  -1.362 -12.937
  307   2H5*    C  29          2H5*        C  29  17.019  -1.965 -13.570
  308    H4*    C  29           H4*        C  29  16.816   0.387 -14.190
  309    H3*    C  29           H3*        C  29  18.782  -0.439 -12.076
  310    H2*    C  29           H2*        C  29  19.431   1.767 -11.647
  311   2HO*    C  29          2HO*        C  29  18.404   2.240 -14.223
  312    H1*    C  29           H1*        C  29  16.969   2.997 -11.879
  313   1H4     C  29          1H4         C  29  18.487   1.958  -5.719
  314   2H4     C  29          2H4         C  29  17.661   0.419  -5.798
  315    H5     C  29           H5         C  29  16.970  -0.586  -7.875
  316    H6     C  29           H6         C  29  16.592  -0.193 -10.263
  317   1H5*    A  30          1H5*        A  30  21.743   0.817 -15.421
  318   2H5*    A  30          2H5*        A  30  23.283   0.094 -14.913
  319    H4*    A  30           H4*        A  30  22.888   2.718 -14.675
  320    H3*    A  30           H3*        A  30  24.281   0.690 -12.975
  321    H2*    A  30           H2*        A  30  24.394   2.010 -11.095
  322   2HO*    A  30          2HO*        A  30  24.620   4.111 -12.969
  323    H1*    A  30           H1*        A  30  22.303   3.880 -11.699
  324    H8     A  30           H8         A  30  20.923   0.431 -11.205
  325   1H6     A  30          1H6         A  30  21.061   1.606  -5.138
  326   2H6     A  30          2H6         A  30  20.348   0.618  -6.394
  327    H2     A  30           H2         A  30  23.378   4.824  -7.228
  328   1H5*    A  31          1H5*        A  31  27.351  -0.420 -12.068
  329   2H5*    A  31          2H5*        A  31  25.859   0.505 -11.828
  330    H4*    A  31           H4*        A  31  28.111   1.984 -10.747
  331    H3*    A  31           H3*        A  31  28.623  -0.719 -10.629
  332    H2*    A  31           H2*        A  31  26.776  -1.464  -9.440
  333   2HO*    A  31          2HO*        A  31  27.226  -1.206  -7.089
  334    H1*    A  31           H1*        A  31  26.518   0.941  -7.706
  335    H8     A  31           H8         A  31  24.495  -0.607 -10.663
  336   1H6     A  31          1H6         A  31  20.270  -1.969  -6.346
  337   2H6     A  31          2H6         A  31  20.645  -2.007  -8.054
  338    H2     A  31           H2         A  31  23.752   0.021  -4.331
  339   1H5*    A  32          1H5*        A  32  28.435   3.326  -9.575
  340   2H5*    A  32          2H5*        A  32  29.706   4.465 -10.048
  341    H4*    A  32           H4*        A  32  28.743   5.731  -8.383
  342    H3*    A  32           H3*        A  32  30.964   4.108  -7.442
  343    H2*    A  32           H2*        A  32  29.939   3.154  -5.625
  344   2HO*    A  32          2HO*        A  32  30.797   4.577  -4.281
  345    H1*    A  32           H1*        A  32  27.694   5.134  -5.536
  346    H8     A  32           H8         A  32  28.199   1.316  -6.276
  347   1H6     A  32          1H6         A  32  24.165   0.511  -1.653
  348   2H6     A  32          2H6         A  32  25.263  -0.288  -2.755
  349    H2     A  32           H2         A  32  24.924   4.913  -2.098
  350   1H5*    C  33          1H5*        C  33  29.182   7.732  -7.991
  351   2H5*    C  33          2H5*        C  33  29.721   8.612  -9.435
  352    H4*    C  33           H4*        C  33  29.134  10.593  -8.490
  353    H3*    C  33           H3*        C  33  31.195   9.573  -6.629
  354    H2*    C  33           H2*        C  33  30.260  10.229  -4.664
  355   2HO*    C  33          2HO*        C  33  30.567  12.344  -4.774
  356    H1*    C  33           H1*        C  33  27.656  11.051  -5.516
  357   1H4     C  33          1H4         C  33  26.469   6.831  -0.920
  358   2H4     C  33          2H4         C  33  27.620   5.693  -1.584
  359    H5     C  33           H5         C  33  28.802   6.076  -3.649
  360    H6     C  33           H6         C  33  29.266   7.694  -5.425
  361   1H5*    G  34          1H5*        G  34  33.134  13.529  -5.905
  362   2H5*    G  34          2H5*        G  34  34.709  12.808  -5.524
  363    H4*    G  34           H4*        G  34  33.101  13.640  -3.571
  364    H3*    G  34           H3*        G  34  34.864  11.215  -3.855
  365    H2*    G  34           H2*        G  34  34.051  10.206  -1.955
  366   2HO*    G  34          2HO*        G  34  34.273  12.690  -1.008
  367    H1*    G  34           H1*        G  34  31.528  11.539  -1.798
  368    H8     G  34           H8         G  34  32.292   9.231  -4.795
  369    H1     G  34           H1         G  34  30.063   6.234   0.430
  370   1H2     G  34          1H2         G  34  29.980   7.647   2.124
  371   2H2     G  34          2H2         G  34  30.274   9.360   1.927
  372   1H5*    G  35          1H5*        G  35  36.102  13.824   0.228
  373   2H5*    G  35          2H5*        G  35  37.583  12.984   0.725
  374    H4*    G  35           H4*        G  35  35.526  13.206   2.406
  375    H3*    G  35           H3*        G  35  37.502  11.018   1.848
  376    H2*    G  35           H2*        G  35  36.348   9.377   2.964
  377   2HO*    G  35          2HO*        G  35  35.535  11.519   4.584
  378    H1*    G  35           H1*        G  35  33.720  10.397   2.831
  379    H8     G  35           H8         G  35  35.376   9.853  -0.556
  380    H1     G  35           H1         G  35  33.206   4.467   2.161
  381   1H2     G  35          1H2         G  35  32.518   4.880   4.215
  382   2H2     G  35          2H2         G  35  32.771   6.429   4.989
  383   1H5*    A  36          1H5*        A  36  37.511  11.886   6.784
  384   2H5*    A  36          2H5*        A  36  38.907  10.892   7.242
  385    H4*    A  36           H4*        A  36  36.506  10.459   8.327
  386    H3*    A  36           H3*        A  36  38.701   8.596   7.431
  387    H2*    A  36           H2*        A  36  37.404   6.670   7.800
  388   2HO*    A  36          2HO*        A  36  36.703   7.443   9.915
  389    H1*    A  36           H1*        A  36  34.962   7.618   6.968
  390    H8     A  36           H8         A  36  37.494   8.825   4.467
  391   1H6     A  36          1H6         A  36  37.561   3.142   2.071
  392   2H6     A  36          2H6         A  36  38.168   4.775   1.924
  393    H2     A  36           H2         A  36  35.308   2.982   5.951
  394   1H5*    G  37          1H5*        G  37  38.936   7.238  11.664
  395   2H5*    G  37          2H5*        G  37  40.601   6.636  11.771
  396    H4*    G  37           H4*        G  37  38.554   4.937  11.603
  397    H3*    G  37           H3*        G  37  41.327   4.931  10.431
  398    H2*    G  37           H2*        G  37  40.912   3.233   8.956
  399   2HO*    G  37          2HO*        G  37  39.787   2.169  11.116
  400    H1*    G  37           H1*        G  37  38.062   3.381   8.835
  401    H8     G  37           H8         G  37  39.223   6.472   7.279
  402    H1     G  37           H1         G  37  40.508   1.358   3.636
  403   1H2     G  37          1H2         G  37  40.292  -0.486   4.827
  404   2H2     G  37          2H2         G  37  39.738  -0.471   6.485
  405   1H5*    G  38          1H5*        G  38  40.939   0.442  12.814
  406   2H5*    G  38          2H5*        G  38  42.691   0.386  13.089
  407    H4*    G  38           H4*        G  38  41.520  -1.658  11.917
  408    H3*    G  38           H3*        G  38  44.088  -0.220  11.354
  409    H2*    G  38           H2*        G  38  44.424  -1.131   9.270
  410   2HO*    G  38          2HO*        G  38  44.444  -3.217   9.234
  411    H1*    G  38           H1*        G  38  41.772  -1.834   8.575
  412    H8     G  38           H8         G  38  42.226   1.877   9.259
  413    H1     G  38           H1         G  38  44.124   0.072   3.411
  414   1H2     G  38          1H2         G  38  44.195  -2.130   3.282
  415   2H2     G  38          2H2         G  38  43.609  -3.160   4.568
  416   1H5*    C  39          1H5*        C  39  44.494  -4.693  11.015
  417   2H5*    C  39          2H5*        C  39  45.951  -5.191  11.897
  418    H4*    C  39           H4*        C  39  45.870  -6.336   9.720
  419    H3*    C  39           H3*        C  39  47.936  -4.258  10.377
  420    H2*    C  39           H2*        C  39  48.734  -4.052   8.235
  421   2HO*    C  39          2HO*        C  39  48.001  -6.770   8.015
  422    H1*    C  39           H1*        C  39  46.489  -4.988   6.771
  423   1H4     C  39          1H4         C  39  47.271   1.058   5.024
  424   2H4     C  39          2H4         C  39  46.955   1.619   6.647
  425    H5     C  39           H5         C  39  46.386   0.132   8.466
  426    H6     C  39           H6         C  39  46.226  -2.209   9.162
  427   1H5*    C  40          1H5*        C  40  49.953  -7.504   8.111
  428   2H5*    C  40          2H5*        C  40  51.296  -8.033   9.143
  429    H4*    C  40           H4*        C  40  52.153  -7.745   6.887
  430    H3*    C  40           H3*        C  40  52.829  -5.782   9.057
  431    H2*    C  40           H2*        C  40  53.769  -4.204   7.711
  432   2HO*    C  40          2HO*        C  40  55.248  -5.910   6.879
  433    H1*    C  40           H1*        C  40  52.517  -4.864   5.243
  434   1H4     C  40          1H4         C  40  49.951   0.794   6.490
  435   2H4     C  40          2H4         C  40  49.474   0.291   8.096
  436    H5     C  40           H5         C  40  49.833  -1.923   8.934
  437    H6     C  40           H6         C  40  51.071  -4.036   8.571
  438    H3T    C  40           H3T        C  40  54.498  -7.059   9.166
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  51.751   8.992   0.812
    2   2H5*    G   1          2H5*        G   1  50.785   8.342  -0.528
    3    H4*    G   1           H4*        G   1  53.033   7.237  -0.388
    4    H3*    G   1           H3*        G   1  50.423   5.779   0.058
    5    H2*    G   1           H2*        G   1  51.491   3.793   0.684
    6   2HO*    G   1          2HO*        G   1  52.759   3.744  -1.251
    7    H1*    G   1           H1*        G   1  53.841   4.840   1.752
    8    H8     G   1           H8         G   1  51.071   6.505   3.583
    9    H1     G   1           H1         G   1  51.608   0.317   5.179
   10   1H2     G   1          1H2         G   1  52.851  -0.745   3.695
   11   2H2     G   1          2H2         G   1  53.714   0.096   2.427
   12    H5T    G   1           H5T        G   1  49.609   8.548   1.437
   13   1H5*    G   2          1H5*        G   2  51.813   3.763  -3.980
   14   2H5*    G   2          2H5*        G   2  50.282   3.650  -4.871
   15    H4*    G   2           H4*        G   2  51.242   1.404  -4.644
   16    H3*    G   2           H3*        G   2  48.810   2.169  -3.020
   17    H2*    G   2           H2*        G   2  48.684   0.007  -2.081
   18   2HO*    G   2          2HO*        G   2  49.118  -1.174  -3.998
   19    H1*    G   2           H1*        G   2  51.327  -0.271  -1.530
   20    H8     G   2           H8         G   2  50.015   3.329  -1.102
   21    H1     G   2           H1         G   2  48.734  -0.507   3.864
   22   1H2     G   2          1H2         G   2  49.308  -2.586   3.389
   23   2H2     G   2          2H2         G   2  49.843  -3.067   1.793
   24   1H5*    C   3          1H5*        C   3  47.163  -1.172  -5.759
   25   2H5*    C   3          2H5*        C   3  45.411  -1.224  -5.483
   26    H4*    C   3           H4*        C   3  47.012  -3.136  -4.515
   27    H3*    C   3           H3*        C   3  44.561  -1.767  -3.412
   28    H2*    C   3           H2*        C   3  44.760  -2.773  -1.320
   29   2HO*    C   3          2HO*        C   3  45.410  -4.764  -1.096
   30    H1*    C   3           H1*        C   3  47.514  -2.851  -1.104
   31   1H4     C   3          1H4         C   3  44.988   1.916   2.397
   32   2H4     C   3          2H4         C   3  45.499   3.026   1.146
   33    H5     C   3           H5         C   3  46.261   2.299  -1.026
   34    H6     C   3           H6         C   3  46.845   0.362  -2.399
   35   1H5*    C   4          1H5*        C   4  42.376  -5.897  -3.564
   36   2H5*    C   4          2H5*        C   4  40.732  -5.261  -3.761
   37    H4*    C   4           H4*        C   4  41.491  -6.416  -1.471
   38    H3*    C   4           H3*        C   4  39.713  -4.076  -2.109
   39    H2*    C   4           H2*        C   4  39.616  -3.302   0.048
   40   2HO*    C   4          2HO*        C   4  40.122  -5.978   0.873
   41    H1*    C   4           H1*        C   4  42.016  -4.438   1.083
   42   1H4     C   4          1H4         C   4  42.125   1.971   1.339
   43   2H4     C   4          2H4         C   4  43.138   1.937  -0.084
   44    H5     C   4           H5         C   4  43.521  -0.069  -1.389
   45    H6     C   4           H6         C   4  42.985  -2.445  -1.603
   46   1H5*    U   5          1H5*        U   5  37.710  -6.522   1.349
   47   2H5*    U   5          2H5*        U   5  36.055  -6.661   0.725
   48    H4*    U   5           H4*        U   5  36.076  -5.937   3.109
   49    H3*    U   5           H3*        U   5  35.018  -4.270   0.845
   50    H2*    U   5           H2*        U   5  34.777  -2.349   2.084
   51   2HO*    U   5          2HO*        U   5  34.006  -2.350   4.083
   52    H1*    U   5           H1*        U   5  36.668  -2.828   4.137
   53    H3     U   5           H3         U   5  37.568   1.335   2.580
   54    H5     U   5           H5         U   5  38.808  -1.237  -0.520
   55    H6     U   5           H6         U   5  37.792  -3.074   0.690
   56   1H5*    C   6          1H5*        C   6  31.614  -4.777   4.424
   57   2H5*    C   6          2H5*        C   6  30.157  -4.168   3.615
   58    H4*    C   6           H4*        C   6  30.984  -3.073   5.897
   59    H3*    C   6           H3*        C   6  29.763  -1.962   3.398
   60    H2*    C   6           H2*        C   6  30.286   0.231   3.817
   61   2HO*    C   6          2HO*        C   6  30.200  -0.505   6.555
   62    H1*    C   6           H1*        C   6  32.514  -0.053   5.509
   63   1H4     C   6          1H4         C   6  34.383   2.655   0.047
   64   2H4     C   6          2H4         C   6  34.192   1.140  -0.803
   65    H5     C   6           H5         C   6  33.510  -0.902   0.287
   66    H6     C   6           H6         C   6  32.629  -1.870   2.360
   67   1H5*    C   7          1H5*        C   7  28.186   0.312   7.026
   68   2H5*    C   7          2H5*        C   7  26.433   0.420   6.769
   69    H4*    C   7           H4*        C   7  27.368   2.632   7.379
   70    H3*    C   7           H3*        C   7  26.154   2.038   4.695
   71    H2*    C   7           H2*        C   7  26.816   4.015   3.725
   72   2HO*    C   7          2HO*        C   7  26.395   4.991   6.302
   73    H1*    C   7           H1*        C   7  29.039   4.656   5.362
   74   1H4     C   7          1H4         C   7  31.112   3.731  -0.589
   75   2H4     C   7          2H4         C   7  30.922   2.003  -0.409
   76    H5     C   7           H5         C   7  29.720   1.003   1.442
   77    H6     C   7           H6         C   7  28.790   1.409   3.666
   78   1H5*    A   8          1H5*        A   8  24.175   5.972   5.213
   79   2H5*    A   8          2H5*        A   8  22.758   5.753   4.166
   80    H4*    A   8           H4*        A   8  24.738   7.361   3.419
   81    H3*    A   8           H3*        A   8  22.882   5.534   2.001
   82    H2*    A   8           H2*        A   8  24.179   5.059   0.191
   83   2HO*    A   8          2HO*        A   8  25.185   7.717   0.369
   84    H1*    A   8           H1*        A   8  26.729   6.093   1.037
   85    H8     A   8           H8         A   8  24.972   2.952   2.468
   86   1H6     A   8          1H6         A   8  28.494  -0.231  -1.487
   87   2H6     A   8          2H6         A   8  27.452  -0.339  -0.087
   88    H2     A   8           H2         A   8  29.140   4.141  -2.248
   89   1H5*    G   9          1H5*        G   9  22.409  10.042   0.331
   90   2H5*    G   9          2H5*        G   9  20.707  10.267  -0.119
   91    H4*    G   9           H4*        G   9  22.548  10.776  -1.916
   92    H3*    G   9           H3*        G   9  19.993   9.200  -2.114
   93    H2*    G   9           H2*        G   9  20.389   8.512  -4.310
   94   2HO*    G   9          2HO*        G   9  21.122   9.990  -5.601
   95    H1*    G   9           H1*        G   9  23.121   8.071  -4.110
   96    H8     G   9           H8         G   9  22.170   6.451  -1.024
   97    H1     G   9           H1         G   9  19.397   3.461  -5.974
   98   1H2     G   9          1H2         G   9  19.511   4.713  -7.782
   99   2H2     G   9          2H2         G   9  20.209   6.317  -7.772
  100   1H5*    C  10          1H5*        C  10  19.329  12.033  -5.553
  101   2H5*    C  10          2H5*        C  10  17.568  12.248  -5.617
  102    H4*    C  10           H4*        C  10  18.815  11.051  -7.621
  103    H3*    C  10           H3*        C  10  16.219  10.480  -6.218
  104    H2*    C  10           H2*        C  10  15.909   8.411  -7.184
  105   2HO*    C  10          2HO*        C  10  16.560   7.915  -9.227
  106    H1*    C  10           H1*        C  10  18.583   7.702  -7.720
  107   1H4     C  10          1H4         C  10  16.139   3.795  -3.289
  108   2H4     C  10          2H4         C  10  16.564   4.948  -2.047
  109    H5     C  10           H5         C  10  17.642   7.055  -2.522
  110    H6     C  10           H6         C  10  18.325   8.602  -4.294
  111   1H5*    G  11          1H5*        G  11  15.041   9.292  -9.943
  112   2H5*    G  11          2H5*        G  11  13.476  10.050 -10.295
  113    H4*    G  11           H4*        G  11  13.279   7.580 -10.314
  114    H3*    G  11           H3*        G  11  11.900   9.349  -8.323
  115    H2*    G  11           H2*        G  11  11.278   7.657  -6.898
  116   2HO*    G  11          2HO*        G  11  10.706   5.600  -7.650
  117    H1*    G  11           H1*        G  11  13.120   5.630  -7.681
  118    H8     G  11           H8         G  11  14.293   8.964  -6.105
  119    H1     G  11           H1         G  11  12.967   4.303  -1.906
  120   1H2     G  11          1H2         G  11  12.023   2.597  -2.938
  121   2H2     G  11          2H2         G  11  11.899   2.513  -4.680
  122   1H5*    A  12          1H5*        A  12   8.679   7.600 -11.877
  123   2H5*    A  12          2H5*        A  12   7.665   9.056 -11.950
  124    H4*    A  12           H4*        A  12   6.164   7.163 -12.027
  125    H3*    A  12           H3*        A  12   6.376   8.855  -9.583
  126    H2*    A  12           H2*        A  12   5.371   7.406  -8.112
  127   2HO*    A  12          2HO*        A  12   3.523   7.345  -9.749
  128    H1*    A  12           H1*        A  12   5.800   4.931  -9.364
  129    H8     A  12           H8         A  12   8.014   7.834  -7.933
  130   1H6     A  12          1H6         A  12   9.928   3.614  -3.850
  131   2H6     A  12          2H6         A  12  10.152   5.243  -4.447
  132    H2     A  12           H2         A  12   7.110   1.604  -6.698
  133   1H5*    C  13          1H5*        C  13   1.219  11.594 -10.600
  134   2H5*    C  13          2H5*        C  13   2.776  12.249 -10.052
  135    H4*    C  13           H4*        C  13   1.116  10.260  -8.441
  136    H3*    C  13           H3*        C  13   0.769  13.110  -8.941
  137    H2*    C  13           H2*        C  13   1.831  13.998  -7.139
  138   2HO*    C  13          2HO*        C  13   0.997  13.623  -5.145
  139    H1*    C  13           H1*        C  13   2.579  11.561  -5.699
  140   1H4     C  13          1H4         C  13   7.596  15.458  -5.227
  141   2H4     C  13          2H4         C  13   7.880  15.342  -6.951
  142    H5     C  13           H5         C  13   6.334  14.276  -8.468
  143    H6     C  13           H6         C  13   4.297  12.938  -8.641
  144   1H5*    G  14          1H5*        G  14   0.330   8.987 -10.274
  145   2H5*    G  14          2H5*        G  14  -1.424   8.724 -10.349
  146    H4*    G  14           H4*        G  14  -0.799   6.536  -9.976
  147    H3*    G  14           H3*        G  14  -1.144   8.025  -7.419
  148    H2*    G  14           H2*        G  14   0.082   6.621  -6.078
  149   2HO*    G  14          2HO*        G  14   0.036   4.447  -6.279
  150    H1*    G  14           H1*        G  14   1.755   5.366  -7.972
  151    H8     G  14           H8         G  14   2.738   8.813  -8.399
  152    H1     G  14           H1         G  14   4.199   6.842  -2.478
  153   1H2     G  14          1H2         G  14   3.189   4.926  -2.050
  154   2H2     G  14          2H2         G  14   2.006   4.230  -3.134
  155   1H5*    G  15          1H5*        G  15  -2.025   4.696  -5.706
  156   2H5*    G  15          2H5*        G  15  -3.776   4.564  -5.452
  157    H4*    G  15           H4*        G  15  -2.993   4.110  -3.300
  158    H3*    G  15           H3*        G  15  -3.606   7.014  -3.745
  159    H2*    G  15           H2*        G  15  -2.511   7.765  -1.869
  160   2HO*    G  15          2HO*        G  15  -2.397   6.546   0.032
  161    H1*    G  15           H1*        G  15  -0.748   5.567  -1.419
  162    H8     G  15           H8         G  15   1.475   6.865  -1.235
  163    H1     G  15           H1         G  15  -0.281  11.130  -5.668
  164   1H2     G  15          1H2         G  15  -2.310  10.685  -6.392
  165   2H2     G  15          2H2         G  15  -3.159   9.221  -5.951
  166   1H5*    C  16          1H5*        C  16  -6.564   4.791  -0.548
  167   2H5*    C  16          2H5*        C  16  -7.759   5.921   0.119
  168    H4*    C  16           H4*        C  16  -6.306   4.610   1.818
  169    H3*    C  16           H3*        C  16  -6.821   7.578   1.666
  170    H2*    C  16           H2*        C  16  -5.376   8.062   3.431
  171   2HO*    C  16          2HO*        C  16  -4.596   5.684   4.355
  172    H1*    C  16           H1*        C  16  -3.394   6.230   2.896
  173   1H4     C  16          1H4         C  16  -1.694  11.999   0.696
  174   2H4     C  16          2H4         C  16  -2.835  11.856  -0.620
  175    H5     C  16           H5         C  16  -4.267   9.942  -0.933
  176    H6     C  16           H6         C  16  -4.923   7.774  -0.043
  177   1H5*    C  17          1H5*        C  17  -8.578   7.122   6.022
  178   2H5*    C  17          2H5*        C  17  -9.453   8.664   6.023
  179    H4*    C  17           H4*        C  17  -7.326   8.284   7.601
  180    H3*    C  17           H3*        C  17  -8.171  10.706   5.976
  181    H2*    C  17           H2*        C  17  -6.335  11.908   6.742
  182   2HO*    C  17          2HO*        C  17  -6.768  10.970   8.993
  183    H1*    C  17           H1*        C  17  -4.513   9.788   6.779
  184   1H4     C  17          1H4         C  17  -3.435  13.681   1.820
  185   2H4     C  17          2H4         C  17  -4.645  12.835   0.886
  186    H5     C  17           H5         C  17  -5.893  10.956   1.745
  187    H6     C  17           H6         C  17  -6.403   9.639   3.740
  188   1H5*    U  18          1H5*        U  18  -6.777  13.002   8.885
  189   2H5*    U  18          2H5*        U  18  -8.050  14.199   9.186
  190    H4*    U  18           H4*        U  18  -5.939  15.175   8.195
  191    H3*    U  18           H3*        U  18  -8.707  15.305   7.067
  192    H2*    U  18           H2*        U  18  -8.051  16.226   5.056
  193   2HO*    U  18          2HO*        U  18  -6.002  17.411   6.589
  194    H1*    U  18           H1*        U  18  -5.305  15.359   5.065
  195    H3     U  18           H3         U  18  -6.767  14.263   0.903
  196    H5     U  18           H5         U  18  -9.051  11.829   3.477
  197    H6     U  18           H6         U  18  -8.075  13.003   5.351
  198   1H5*    U  19          1H5*        U  19  -9.740  20.173   9.066
  199   2H5*    U  19          2H5*        U  19 -10.251  20.538   7.406
  200    H4*    U  19           H4*        U  19  -8.965  22.443   8.093
  201    H3*    U  19           H3*        U  19  -8.180  20.784   5.980
  202    H2*    U  19           H2*        U  19  -6.241  19.840   6.848
  203   2HO*    U  19          2HO*        U  19  -5.487  22.518   6.295
  204    H1*    U  19           H1*        U  19  -5.585  22.105   8.683
  205    H3     U  19           H3         U  19  -3.370  19.623  11.703
  206    H5     U  19           H5         U  19  -5.278  16.739   9.301
  207    H6     U  19           H6         U  19  -6.333  18.524   8.085
  208   1H5*    C  20          1H5*        C  20  -6.015  20.830   4.337
  209   2H5*    C  20          2H5*        C  20  -5.808  22.414   3.562
  210    H4*    C  20           H4*        C  20  -5.228  20.958   1.816
  211    H3*    C  20           H3*        C  20  -7.560  22.398   1.548
  212    H2*    C  20           H2*        C  20  -9.061  20.723   2.172
  213   2HO*    C  20          2HO*        C  20  -9.798  19.640   0.213
  214    H1*    C  20           H1*        C  20  -7.561  18.537   0.770
  215   1H4     C  20          1H4         C  20 -10.874  14.936   4.796
  216   2H4     C  20          2H4         C  20 -11.120  16.270   5.900
  217    H5     C  20           H5         C  20 -10.104  18.438   5.573
  218    H6     C  20           H6         C  20  -8.778  19.817   4.055
  219   1H5*    G  21          1H5*        G  21  -2.745  21.864   0.226
  220   2H5*    G  21          2H5*        G  21  -3.342  20.898   1.584
  221    H4*    G  21           H4*        G  21  -2.452  23.816   1.764
  222    H3*    G  21           H3*        G  21  -1.094  21.177   2.031
  223    H2*    G  21           H2*        G  21  -0.485  21.380   4.224
  224   2HO*    G  21          2HO*        G  21   0.903  23.056   4.069
  225    H1*    G  21           H1*        G  21  -2.231  23.431   5.121
  226    H8     G  21           H8         G  21  -2.184  21.995   7.326
  227    H1     G  21           H1         G  21  -4.603  16.927   4.237
  228   1H2     G  21          1H2         G  21  -4.544  17.266   2.058
  229   2H2     G  21          2H2         G  21  -4.137  18.820   1.367
  230   1H5*    G  22          1H5*        G  22   3.515  20.865   2.780
  231   2H5*    G  22          2H5*        G  22   2.025  19.998   2.352
  232    H4*    G  22           H4*        G  22   2.835  20.944   5.144
  233    H3*    G  22           H3*        G  22   3.043  18.433   3.554
  234    H2*    G  22           H2*        G  22   1.842  17.058   4.971
  235   2HO*    G  22          2HO*        G  22   1.945  17.204   7.101
  236    H1*    G  22           H1*        G  22   0.015  18.796   6.060
  237    H8     G  22           H8         G  22   0.061  19.516   2.373
  238    H1     G  22           H1         G  22  -2.832  13.964   3.732
  239   1H2     G  22          1H2         G  22  -2.382  13.362   5.813
  240   2H2     G  22          2H2         G  22  -1.549  14.419   6.931
  241   1H5*    G  23          1H5*        G  23   4.559  17.140   7.453
  242   2H5*    G  23          2H5*        G  23   6.087  16.281   7.176
  243    H4*    G  23           H4*        G  23   4.422  14.900   8.450
  244    H3*    G  23           H3*        G  23   5.632  14.207   5.801
  245    H2*    G  23           H2*        G  23   4.169  12.520   5.280
  246   2HO*    G  23          2HO*        G  23   4.047  10.971   6.672
  247    H1*    G  23           H1*        G  23   1.984  13.178   6.984
  248    H8     G  23           H8         G  23   2.987  15.680   4.238
  249    H1     G  23           H1         G  23  -1.150  11.148   2.387
  250   1H2     G  23          1H2         G  23  -1.402   9.652   3.991
  251   2H2     G  23          2H2         G  23  -0.417   9.659   5.437
  252   1H5*    A  24          1H5*        A  24   7.254   9.480   5.911
  253   2H5*    A  24          2H5*        A  24   5.899  10.461   5.316
  254    H4*    A  24           H4*        A  24   5.443   8.425   7.516
  255    H3*    A  24           H3*        A  24   6.154   7.982   4.652
  256    H2*    A  24           H2*        A  24   4.212   6.923   4.027
  257   2HO*    A  24          2HO*        A  24   4.661   5.548   6.146
  258    H1*    A  24           H1*        A  24   2.408   7.871   5.947
  259    H8     A  24           H8         A  24   4.119  10.698   4.078
  260   1H6     A  24          1H6         A  24   0.395   9.624  -0.714
  261   2H6     A  24          2H6         A  24   1.507  10.758   0.020
  262    H2     A  24           H2         A  24  -0.345   6.428   2.321
  263   1H5*    C  25          1H5*        C  25   5.823   4.008   6.053
  264   2H5*    C  25          2H5*        C  25   6.866   2.844   5.212
  265    H4*    C  25           H4*        C  25   4.317   2.767   4.659
  266    H3*    C  25           H3*        C  25   6.670   2.902   2.767
  267    H2*    C  25           H2*        C  25   5.333   3.235   0.903
  268   2HO*    C  25          2HO*        C  25   4.175   1.192   1.591
  269    H1*    C  25           H1*        C  25   3.006   4.245   2.213
  270   1H4     C  25          1H4         C  25   5.132   8.565  -1.981
  271   2H4     C  25          2H4         C  25   6.228   9.184  -0.768
  272    H5     C  25           H5         C  25   6.385   8.257   1.452
  273    H6     C  25           H6         C  25   5.733   6.387   2.893
  274   1H5*    U  26          1H5*        U  26   5.255   1.076  -0.151
  275   2H5*    U  26          2H5*        U  26   6.173  -0.440  -0.245
  276    H4*    U  26           H4*        U  26   6.712   0.659  -2.277
  277    H3*    U  26           H3*        U  26   8.696   0.825  -0.058
  278    H2*    U  26           H2*        U  26   9.888   2.607  -0.855
  279   2HO*    U  26          2HO*        U  26  10.579   1.518  -2.701
  280    H1*    U  26           H1*        U  26   8.029   3.712  -2.717
  281    H3     U  26           H3         U  26   9.152   7.481  -0.547
  282    H5     U  26           H5         U  26   7.930   4.929   2.575
  283    H6     U  26           H6         U  26   7.592   3.182   0.927
  284   1H5*    A  27          1H5*        A  27   8.586  -2.811  -2.506
  285   2H5*    A  27          2H5*        A  27   9.908  -3.888  -2.014
  286    H4*    A  27           H4*        A  27   9.274  -4.768  -4.114
  287    H3*    A  27           H3*        A  27  11.632  -2.918  -4.128
  288    H2*    A  27           H2*        A  27  11.705  -2.648  -6.444
  289   2HO*    A  27          2HO*        A  27  11.247  -4.226  -7.797
  290    H1*    A  27           H1*        A  27   9.077  -2.770  -7.093
  291    H8     A  27           H8         A  27  10.099  -0.662  -4.000
  292   1H6     A  27          1H6         A  27  11.397   3.875  -7.975
  293   2H6     A  27          2H6         A  27  11.439   3.374  -6.300
  294    H2     A  27           H2         A  27  10.237   0.256 -10.346
  295   1H5*    G  28          1H5*        G  28  13.176  -5.491  -7.177
  296   2H5*    G  28          2H5*        G  28  14.921  -5.182  -7.111
  297    H4*    G  28           H4*        G  28  13.416  -4.126  -9.050
  298    H3*    G  28           H3*        G  28  15.804  -3.172  -7.522
  299    H2*    G  28           H2*        G  28  15.607  -0.944  -8.109
  300   2HO*    G  28          2HO*        G  28  14.133  -1.854 -10.363
  301    H1*    G  28           H1*        G  28  12.864  -0.703  -8.456
  302    H8     G  28           H8         G  28  13.147  -2.162  -5.085
  303    H1     G  28           H1         G  28  15.730   3.700  -5.249
  304   1H2     G  28          1H2         G  28  15.905   4.392  -7.338
  305   2H2     G  28          2H2         G  28  15.575   3.344  -8.699
  306   1H5*    C  29          1H5*        C  29  15.859  -1.681 -11.790
  307   2H5*    C  29          2H5*        C  29  17.392  -2.274 -12.462
  308    H4*    C  29           H4*        C  29  17.097   0.024 -13.220
  309    H3*    C  29           H3*        C  29  19.158  -0.595 -11.130
  310    H2*    C  29           H2*        C  29  19.741   1.663 -10.868
  311   2HO*    C  29          2HO*        C  29  19.680   3.032 -12.469
  312    H1*    C  29           H1*        C  29  17.232   2.772 -11.001
  313   1H4     C  29          1H4         C  29  18.880   1.936  -4.856
  314   2H4     C  29          2H4         C  29  18.419   0.252  -4.956
  315    H5     C  29           H5         C  29  17.573  -0.761  -6.961
  316    H6     C  29           H6         C  29  17.075  -0.416  -9.333
  317   1H5*    A  30          1H5*        A  30  21.794   0.647 -14.668
  318   2H5*    A  30          2H5*        A  30  23.423   0.026 -14.330
  319    H4*    A  30           H4*        A  30  22.976   2.610 -14.092
  320    H3*    A  30           H3*        A  30  24.502   0.678 -12.401
  321    H2*    A  30           H2*        A  30  24.649   2.049 -10.560
  322   2HO*    A  30          2HO*        A  30  25.832   3.647 -11.627
  323    H1*    A  30           H1*        A  30  22.486   3.844 -11.121
  324    H8     A  30           H8         A  30  21.261   0.359 -10.474
  325   1H6     A  30          1H6         A  30  21.616   1.716  -4.454
  326   2H6     A  30          2H6         A  30  20.891   0.665  -5.649
  327    H2     A  30           H2         A  30  23.707   4.960  -6.734
  328   1H5*    A  31          1H5*        A  31  27.631  -0.339 -11.599
  329   2H5*    A  31          2H5*        A  31  26.097   0.509 -11.339
  330    H4*    A  31           H4*        A  31  28.300   2.105 -10.315
  331    H3*    A  31           H3*        A  31  28.923  -0.571 -10.167
  332    H2*    A  31           H2*        A  31  27.114  -1.370  -8.955
  333   2HO*    A  31          2HO*        A  31  28.684  -0.169  -6.900
  334    H1*    A  31           H1*        A  31  26.807   1.047  -7.240
  335    H8     A  31           H8         A  31  24.773  -0.623 -10.119
  336   1H6     A  31          1H6         A  31  20.666  -1.967  -5.683
  337   2H6     A  31          2H6         A  31  21.082  -2.190  -7.367
  338    H2     A  31           H2         A  31  24.165   0.116  -3.788
  339   1H5*    A  32          1H5*        A  32  28.546   3.497  -9.211
  340   2H5*    A  32          2H5*        A  32  29.786   4.669  -9.683
  341    H4*    A  32           H4*        A  32  28.737   5.939  -8.072
  342    H3*    A  32           H3*        A  32  30.985   4.401  -7.018
  343    H2*    A  32           H2*        A  32  29.905   3.498  -5.200
  344   2HO*    A  32          2HO*        A  32  30.891   5.450  -4.310
  345    H1*    A  32           H1*        A  32  27.664   5.497  -5.305
  346    H8     A  32           H8         A  32  28.067   1.624  -5.742
  347   1H6     A  32          1H6         A  32  23.982   1.311  -1.103
  348   2H6     A  32          2H6         A  32  25.061   0.391  -2.127
  349    H2     A  32           H2         A  32  24.899   5.635  -1.874
  350   1H5*    C  33          1H5*        C  33  29.288   7.951  -7.651
  351   2H5*    C  33          2H5*        C  33  29.766   8.874  -9.089
  352    H4*    C  33           H4*        C  33  29.193  10.822  -8.070
  353    H3*    C  33           H3*        C  33  31.294   9.752  -6.250
  354    H2*    C  33           H2*        C  33  30.432  10.532  -4.295
  355   2HO*    C  33          2HO*        C  33  30.845  12.686  -4.958
  356    H1*    C  33           H1*        C  33  27.799  11.295  -5.153
  357   1H4     C  33          1H4         C  33  26.789   7.369  -0.265
  358   2H4     C  33          2H4         C  33  27.926   6.198  -0.894
  359    H5     C  33           H5         C  33  29.048   6.462  -3.011
  360    H6     C  33           H6         C  33  29.421   7.955  -4.911
  361   1H5*    G  34          1H5*        G  34  32.984  13.649  -5.160
  362   2H5*    G  34          2H5*        G  34  34.586  12.988  -4.777
  363    H4*    G  34           H4*        G  34  32.888  13.608  -2.823
  364    H3*    G  34           H3*        G  34  34.759  11.274  -3.204
  365    H2*    G  34           H2*        G  34  33.989  10.175  -1.320
  366   2HO*    G  34          2HO*        G  34  33.113  12.724  -0.407
  367    H1*    G  34           H1*        G  34  31.352  11.193  -1.270
  368    H8     G  34           H8         G  34  32.424   9.394  -4.486
  369    H1     G  34           H1         G  34  30.635   5.462   0.266
  370   1H2     G  34          1H2         G  34  30.242   6.632   2.098
  371   2H2     G  34          2H2         G  34  30.601   8.340   2.212
  372   1H5*    G  35          1H5*        G  35  35.879  13.404   0.987
  373   2H5*    G  35          2H5*        G  35  37.433  12.659   1.413
  374    H4*    G  35           H4*        G  35  35.308  12.378   3.006
  375    H3*    G  35           H3*        G  35  37.543  10.532   2.210
  376    H2*    G  35           H2*        G  35  36.542   8.630   3.005
  377   2HO*    G  35          2HO*        G  35  36.413   9.447   5.142
  378    H1*    G  35           H1*        G  35  33.823   9.452   2.999
  379    H8     G  35           H8         G  35  35.490   9.387  -0.424
  380    H1     G  35           H1         G  35  33.729   3.601   1.705
  381   1H2     G  35          1H2         G  35  33.040   3.742   3.796
  382   2H2     G  35          2H2         G  35  33.197   5.211   4.733
  383   1H5*    A  36          1H5*        A  36  37.312  10.746   7.272
  384   2H5*    A  36          2H5*        A  36  38.754   9.781   7.643
  385    H4*    A  36           H4*        A  36  36.361   9.089   8.608
  386    H3*    A  36           H3*        A  36  38.684   7.477   7.563
  387    H2*    A  36           H2*        A  36  37.499   5.447   7.645
  388   2HO*    A  36          2HO*        A  36  36.195   5.062   9.236
  389    H1*    A  36           H1*        A  36  35.033   6.332   6.850
  390    H8     A  36           H8         A  36  37.538   8.033   4.624
  391   1H6     A  36          1H6         A  36  38.138   2.732   1.532
  392   2H6     A  36          2H6         A  36  38.624   4.410   1.624
  393    H2     A  36           H2         A  36  35.781   1.898   5.260
  394   1H5*    G  37          1H5*        G  37  37.586   5.293  10.671
  395   2H5*    G  37          2H5*        G  37  38.912   4.645  11.657
  396    H4*    G  37           H4*        G  37  37.570   2.836  10.565
  397    H3*    G  37           H3*        G  37  40.487   3.352  10.025
  398    H2*    G  37           H2*        G  37  40.612   1.861   8.289
  399   2HO*    G  37          2HO*        G  37  39.969  -0.096   8.638
  400    H1*    G  37           H1*        G  37  37.845   1.746   7.580
  401    H8     G  37           H8         G  37  39.184   5.166   6.872
  402    H1     G  37           H1         G  37  41.278   0.774   2.698
  403   1H2     G  37          1H2         G  37  40.794  -1.251   3.435
  404   2H2     G  37          2H2         G  37  39.805  -1.516   4.853
  405   1H5*    G  38          1H5*        G  38  40.640  -1.488  11.804
  406   2H5*    G  38          2H5*        G  38  42.345  -1.238  12.222
  407    H4*    G  38           H4*        G  38  41.628  -3.248  10.629
  408    H3*    G  38           H3*        G  38  43.973  -1.370  10.632
  409    H2*    G  38           H2*        G  38  44.696  -1.925   8.518
  410   2HO*    G  38          2HO*        G  38  43.455  -4.437   8.986
  411    H1*    G  38           H1*        G  38  42.272  -2.872   7.395
  412    H8     G  38           H8         G  38  42.090   0.735   8.571
  413    H1     G  38           H1         G  38  44.923   0.006   2.869
  414   1H2     G  38          1H2         G  38  45.352  -2.130   2.506
  415   2H2     G  38          2H2         G  38  44.775  -3.392   3.569
  416   1H5*    C  39          1H5*        C  39  45.070  -5.811   9.993
  417   2H5*    C  39          2H5*        C  39  46.594  -6.122  10.848
  418    H4*    C  39           H4*        C  39  46.575  -7.073   8.523
  419    H3*    C  39           H3*        C  39  48.491  -4.999   9.546
  420    H2*    C  39           H2*        C  39  49.383  -4.493   7.493
  421   2HO*    C  39          2HO*        C  39  48.637  -7.116   6.682
  422    H1*    C  39           H1*        C  39  47.260  -5.309   5.805
  423   1H4     C  39          1H4         C  39  47.897   0.956   4.988
  424   2H4     C  39          2H4         C  39  47.383   1.265   6.629
  425    H5     C  39           H5         C  39  46.735  -0.491   8.159
  426    H6     C  39           H6         C  39  46.628  -2.912   8.499
  427   1H5*    C  40          1H5*        C  40  50.734  -7.757   6.890
  428   2H5*    C  40          2H5*        C  40  51.987  -8.454   7.935
  429    H4*    C  40           H4*        C  40  53.055  -7.865   5.853
  430    H3*    C  40           H3*        C  40  53.479  -6.177   8.295
  431    H2*    C  40           H2*        C  40  54.494  -4.417   7.257
  432   2HO*    C  40          2HO*        C  40  55.682  -4.654   5.323
  433    H1*    C  40           H1*        C  40  53.431  -4.686   4.655
  434   1H4     C  40          1H4         C  40  50.503   0.525   6.789
  435   2H4     C  40          2H4         C  40  49.786  -0.361   8.115
  436    H5     C  40           H5         C  40  50.323  -2.639   8.612
  437    H6     C  40           H6         C  40  51.739  -4.572   7.964
  438    H3T    C  40           H3T        C  40  55.268  -7.593   6.581