*HEADER    RNA                                     30-OCT-05   2EUY              
*TITLE     SOLUTION STRUCTURE OF THE INTERNAL LOOP OF HUMAN U65 H/ACA            
*TITLE    2 SNORNA 3' HAIRPIN                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U65 BOX H/ACA SNORNA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RNA HAIRPIN CONTAINING THE 3' INTERNAL-LOOP                
*COMPND   5 (PSEUDOURIDYLATION POCKET);                                          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS              
*KEYWDS    HARIPIN, INTERNAL-LOOP                                                
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    J.FEIGON, M.KHANNA, H.WU, C.JOHANSSON, M.CAIZERGUES-FERRER            
*REVDAT   1   31-OCT-06 2EUY    0                                                


! Hydrogen bond distance restraints
assign (resid 1 and name H1) (resid 34 and name N3) 2.00 0.20 0.20
assign (resid 1 and name N1) (resid 34 and name N3) 2.90 0.30 0.30
assign (resid 1 and name O6) (resid 34 and name H41) 2.00 0.20 0.20
assign (resid 1 and name O6) (resid 34 and name N4) 2.90 0.30 0.30
assign (resid 1 and name H21) (resid 34 and name O2) 2.00 0.20 0.20
assign (resid 1 and name N2) (resid 34 and name O2) 2.90 0.30 0.30
assign (resid 2 and name H1) (resid 33 and name O2) 2.00 0.20 0.20
assign (resid 2 and name N1) (resid 33 and name O2) 2.90 0.30 0.30
assign (resid 2 and name O6) (resid 33 and name H3) 2.00 0.20 0.20
assign (resid 2 and name O6) (resid 33 and name N3) 2.90 0.30 0.30
assign (resid 3 and name N3) (resid 32 and name H1) 2.00 0.20 0.20
assign (resid 3 and name N3) (resid 32 and name N1) 2.90 0.30 0.30
assign (resid 3 and name H41) (resid 32 and name O6) 2.00 0.20 0.20
assign (resid 3 and name N4) (resid 32 and name O6) 2.90 0.30 0.30
assign (resid 3 and name O2) (resid 32 and name H21) 2.00 0.20 0.20
assign (resid 3 and name O2) (resid 32 and name N2) 2.90 0.30 0.30
assign (resid 4 and name N3) (resid 31 and name H1) 2.00 0.20 0.20
assign (resid 4 and name N3) (resid 31 and name N1) 2.90 0.30 0.30
assign (resid 4 and name H41) (resid 31 and name O6) 2.00 0.20 0.20
assign (resid 4 and name N4) (resid 31 and name O6) 2.90 0.30 0.30
assign (resid 4 and name O2) (resid 31 and name H21) 2.00 0.20 0.20
assign (resid 4 and name O2) (resid 31 and name N2) 2.90 0.30 0.30
assign (resid 5 and name H3) (resid 30 and name N1) 2.00 0.20 0.20
assign (resid 5 and name N3) (resid 30 and name N1) 2.90 0.30 0.30
assign (resid 5 and name O4) (resid 30 and name H61) 2.00 0.20 0.20
assign (resid 5 and name O4) (resid 30 and name N6) 2.90 0.30 0.30
assign (resid 6 and name H3) (resid 29 and name N1) 2.00 0.20 0.20
assign (resid 6 and name N3) (resid 29 and name N1) 2.90 0.30 0.30
assign (resid 6 and name O4) (resid 29 and name H61) 2.00 0.20 0.20
assign (resid 6 and name O4) (resid 29 and name N6) 2.90 0.30 0.30
assign (resid 9 and name H1) (resid 26 and name N3) 2.00 0.20 0.20
assign (resid 9 and name N1) (resid 26 and name N3) 2.90 0.30 0.30
assign (resid 9 and name O6) (resid 26 and name H41) 2.00 0.20 0.20
assign (resid 9 and name O6) (resid 26 and name N4) 2.90 0.30 0.30
assign (resid 9 and name H21) (resid 26 and name O2) 2.00 0.20 0.20
assign (resid 9 and name N2) (resid 26 and name O2) 2.90 0.30 0.30
assign (resid 10 and name H61) (resid 25 and name N3) 2.00 0.20 0.20
assign (resid 10 and name N6) (resid 25 and name N3) 2.80 0.30 0.30
assign (resid 10 and name N1) (resid 25 and name O2) 2.60 0.30 0.30
assign (resid 10 and name H61) (resid 25 and name O2) 3.50 1.70 0.00
assign (resid 11 and name N1) (resid 24 and name H1) 2.00 0.20 0.20
assign (resid 11 and name N1) (resid 24 and name N1) 2.90 0.30 0.30
assign (resid 11 and name H61) (resid 24 and name O6) 2.00 0.20 0.20
assign (resid 11 and name N6) (resid 24 and name O6) 2.90 0.30 0.30
assign (resid 23 and name H3) (resid 12 and name N1) 2.00 0.20 0.20
assign (resid 23 and name N3) (resid 12 and name N1) 2.90 0.30 0.30
assign (resid 23 and name O4) (resid 12 and name H61) 2.00 0.20 0.20
assign (resid 23 and name O4) (resid 12 and name N6) 2.90 0.30 0.30
assign (resid 13 and name N3) (resid 22 and name H1) 2.00 0.20 0.20
assign (resid 13 and name N3) (resid 22 and name N1) 2.90 0.30 0.30
assign (resid 13 and name H41) (resid 22 and name O6) 2.00 0.20 0.20
assign (resid 13 and name N4) (resid 22 and name O6) 2.90 0.30 0.30
assign (resid 13 and name O2) (resid 22 and name H21) 2.00 0.20 0.20
assign (resid 13 and name O2) (resid 22 and name N2) 2.90 0.30 0.30
assign (resid 21 and name H3) (resid 14 and name N1) 2.00 0.20 0.20
assign (resid 21 and name N3) (resid 14 and name N1) 2.90 0.30 0.30
assign (resid 21 and name O4) (resid 14 and name H61) 2.00 0.20 0.20
assign (resid 21 and name O4) (resid 14 and name N6) 2.90 0.30 0.30
assign (resid 15 and name H1) (resid 20 and name N3) 2.00 0.20 0.20
assign (resid 15 and name N1) (resid 20 and name N3) 2.90 0.30 0.30
assign (resid 15 and name O6) (resid 20 and name H41) 2.00 0.20 0.20
assign (resid 15 and name O6) (resid 20 and name N4) 2.90 0.30 0.30
assign (resid 15 and name H21) (resid 20 and name O2) 2.00 0.20 0.20
assign (resid 15 and name N2) (resid 20 and name O2) 2.90 0.30 0.30

! NOE restraints
assign (resid 1 and name H8) (resid 1 and name H1') 4.50 2.50 0.00
assign (resid 1 and name H8) (resid 1 and name H2') 4.50 2.50 0.00
assign (resid 1 and name H8) (resid 1 and name H3') 3.50 1.70 0.00
assign (resid 1 and name H8) (resid 1 and name H4') 4.50 2.50 0.00
assign (resid 1 and name H8) (resid 1 and name H5'') 3.50 1.70 0.00
assign (resid 1 and name H8) (resid 1 and name H5') 4.50 2.50 0.00
assign (resid 1 and name H8) (resid 2 and name H8) 5.50 3.00 0.00
assign (resid 2 and name H1) (resid 3 and name H41) 5.00 3.20 0.00
assign (resid 2 and name H1) (resid 3 and name H5) 6.50 3.50 0.00
assign (resid 2 and name H1) (resid 32 and name H1) 5.00 3.20 0.00
assign (resid 2 and name H1) (resid 33 and name H1') 5.00 3.20 0.00
assign (resid 2 and name H1) (resid 33 and name H2') 6.50 3.50 0.00
assign (resid 2 and name H1) (resid 33 and name H3) 3.50 1.70 0.00
assign (resid 2 and name H1) (resid 34 and name H1') 6.50 3.50 0.00
assign (resid 2 and name H1) (resid 34 and name H41) 5.00 3.20 0.00
assign (resid 2 and name H1) (resid 34 and name H42) 5.00 3.20 0.00
assign (resid 2 and name H1) (resid 34 and name H5) 6.50 3.50 0.00
assign (resid 2 and name H1) (resid 34 and name H6) 6.50 3.50 0.00
assign (resid 2 and name H8) (resid 1 and name H1') 4.50 2.50 0.00
assign (resid 2 and name H8) (resid 1 and name H2') 3.50 1.70 0.00
assign (resid 2 and name H8) (resid 1 and name H3') 4.50 2.50 0.00
assign (resid 2 and name H8) (resid 2 and name H1') 4.50 2.50 0.00
assign (resid 2 and name H8) (resid 2 and name H2') 4.50 2.50 0.00
assign (resid 2 and name H8) (resid 2 and name H3') 3.50 1.70 0.00
assign (resid 2 and name H8) (resid 2 and name H4') 5.50 3.00 0.00
assign (resid 2 and name H8) (resid 2 and name H5'') 3.50 1.70 0.00
assign (resid 2 and name H8) (resid 3 and name H5) 5.50 3.00 0.00
assign (resid 2 and name H8) (resid 3 and name H6) 5.50 3.00 0.00
assign (resid 3 and name H5) (resid 2 and name H2') 5.50 3.00 0.00
assign (resid 3 and name H5) (resid 2 and name H3') 4.50 2.50 0.00
assign (resid 3 and name H6) (resid 2 and name H1') 4.50 2.50 0.00
assign (resid 3 and name H6) (resid 2 and name H2') 4.50 2.50 0.00
assign (resid 3 and name H6) (resid 2 and name H3') 5.50 3.00 0.00
assign (resid 3 and name H6) (resid 2 and name H4') 5.50 3.00 0.00
assign (resid 3 and name H6) (resid 3 and name H1') 5.50 3.00 0.00
assign (resid 3 and name H6) (resid 3 and name H2') 4.50 2.50 0.00
assign (resid 3 and name H6) (resid 3 and name H3') 4.50 2.50 0.00
assign (resid 3 and name H6) (resid 3 and name H4') 5.50 3.00 0.00
assign (resid 3 and name H6) (resid 3 and name H5') 5.50 3.00 0.00
assign (resid 4 and name H5) (resid 3 and name H3') 5.50 3.00 0.00
assign (resid 4 and name H5) (resid 5 and name H5) 4.50 2.50 0.00
assign (resid 4 and name H6) (resid 3 and name H3') 5.50 3.00 0.00
assign (resid 4 and name H6) (resid 4 and name H1') 5.50 3.00 0.00
assign (resid 4 and name H6) (resid 4 and name H2') 4.50 2.50 0.00
assign (resid 4 and name H6) (resid 4 and name H3') 3.50 1.70 0.00
assign (resid 4 and name H6) (resid 4 and name H4') 5.50 3.00 0.00
assign (resid 4 and name H6) (resid 5 and name H6) 5.50 3.00 0.00
assign (resid 5 and name H1') (resid 4 and name H2') 5.50 3.00 0.00
assign (resid 5 and name H3) (resid 30 and name H2) 3.50 1.70 0.00
assign (resid 5 and name H3) (resid 31 and name H1) 5.00 3.20 0.00
assign (resid 5 and name H5) (resid 4 and name H1') 5.50 3.00 0.00
assign (resid 5 and name H5) (resid 4 and name H2') 3.50 1.70 0.00
assign (resid 5 and name H5) (resid 4 and name H3') 4.50 2.50 0.00
assign (resid 5 and name H5) (resid 5 and name H1') 5.50 3.00 0.00
assign (resid 5 and name H5) (resid 5 and name H3') 5.50 3.00 0.00
assign (resid 5 and name H6) (resid 4 and name H1') 4.50 2.50 0.00
assign (resid 5 and name H6) (resid 4 and name H2') 2.50 0.70 0.00
assign (resid 5 and name H6) (resid 4 and name H3') 3.50 1.70 0.00
assign (resid 5 and name H6) (resid 5 and name H1') 4.50 2.50 0.00
assign (resid 5 and name H6) (resid 5 and name H2') 4.50 2.50 0.00
assign (resid 5 and name H6) (resid 5 and name H3') 3.50 1.70 0.00
assign (resid 5 and name H6) (resid 5 and name H5') 5.50 3.00 0.00
assign (resid 6 and name H1') (resid 5 and name H2') 4.50 2.50 0.00
assign (resid 6 and name H3) (resid 6 and name H1') 5.00 3.20 0.00
assign (resid 6 and name H3) (resid 29 and name H2) 5.00 3.20 0.00
assign (resid 6 and name H3) (resid 29 and name H61) 3.50 1.70 0.00
assign (resid 6 and name H3) (resid 29 and name H62) 5.00 3.20 0.00
assign (resid 6 and name H3) (resid 30 and name H2) 5.00 3.20 0.00
assign (resid 6 and name H5) (resid 5 and name H2') 4.50 2.50 0.00
assign (resid 6 and name H6) (resid 5 and name H1') 4.50 2.50 0.00
assign (resid 6 and name H6) (resid 5 and name H2') 2.50 0.70 0.00
assign (resid 6 and name H6) (resid 5 and name H3') 3.50 1.70 0.00
assign (resid 6 and name H6) (resid 6 and name H1') 4.50 2.50 0.00
assign (resid 6 and name H6) (resid 6 and name H2') 4.50 2.50 0.00
assign (resid 6 and name H6) (resid 6 and name H3') 3.50 1.70 0.00
assign (resid 6 and name H6) (resid 6 and name H4') 4.50 2.50 0.00
assign (resid 6 and name H6) (resid 7 and name H8) 6.50 3.50 0.00
assign (resid 7 and name H2) (resid 7 and name H1') 5.50 3.00 0.00
assign (resid 7 and name H2) (resid 29 and name H1') 5.50 3.00 0.00
assign (resid 7 and name H8) (resid 6 and name H1') 4.50 2.50 0.00
assign (resid 7 and name H8) (resid 6 and name H2') 5.50 3.00 0.00
assign (resid 7 and name H8) (resid 6 and name H3') 4.50 2.50 0.00
assign (resid 7 and name H8) (resid 7 and name H1') 5.50 3.00 0.00
assign (resid 7 and name H8) (resid 7 and name H2') 4.50 2.50 0.00
assign (resid 7 and name H8) (resid 7 and name H3') 5.50 3.00 0.00
assign (resid 7 and name H8) (resid 7 and name H4') 5.50 3.00 0.00
assign (resid 7 and name H8) (resid 7 and name H5'*) 4.50 2.50 0.00
assign (resid 7 and name H8) (resid 8 and name H8) 5.50 3.00 0.00
assign (resid 8 and name H8) (resid 7 and name H1') 5.50 3.00 0.00
assign (resid 8 and name H8) (resid 7 and name H2') 4.50 2.50 0.00
assign (resid 8 and name H8) (resid 7 and name H3') 4.50 2.50 0.00
assign (resid 8 and name H8) (resid 7 and name H4') 5.50 3.00 0.00
assign (resid 8 and name H8) (resid 8 and name H1') 4.50 2.50 0.00
assign (resid 8 and name H8) (resid 8 and name H4') 4.50 2.50 0.00
assign (resid 8 and name H8) (resid 8 and name H5'*) 3.50 1.70 0.00
assign (resid 9 and name H1) (resid 8 and name H1') 6.50 3.50 0.00
assign (resid 9 and name H1) (resid 9 and name H1') 6.50 3.50 0.00
assign (resid 9 and name H1) (resid 25 and name H41) 6.50 3.50 0.00
assign (resid 9 and name H1) (resid 26 and name H41) 3.50 1.70 0.00
assign (resid 9 and name H1) (resid 26 and name H42) 5.00 3.20 0.00
assign (resid 9 and name H8) (resid 8 and name H1') 4.50 2.50 0.00
assign (resid 9 and name H8) (resid 8 and name H3') 4.50 2.50 0.00
assign (resid 9 and name H8) (resid 9 and name H1') 5.50 3.00 0.00
assign (resid 9 and name H8) (resid 9 and name H2') 5.50 3.00 0.00
assign (resid 9 and name H8) (resid 9 and name H3') 4.50 2.50 0.00
assign (resid 9 and name H8) (resid 9 and name H4') 5.50 3.00 0.00
assign (resid 10 and name H1') (resid 9 and name H1') 6.50 3.50 0.00
assign (resid 10 and name H1') (resid 9 and name H2') 4.50 2.50 0.00
assign (resid 10 and name H2) (resid 10 and name H1') 5.50 3.00 0.00
assign (resid 10 and name H2) (resid 11 and name H1') 5.50 3.00 0.00
assign (resid 10 and name H2) (resid 25 and name H1') 6.50 3.50 0.00
assign (resid 10 and name H2) (resid 26 and name H1') 6.50 3.50 0.00
assign (resid 10 and name H2) (resid 26 and name H5) 6.50 3.50 0.00
assign (resid 10 and name H8) (resid 9 and name H1') 4.50 2.50 0.00
assign (resid 10 and name H8) (resid 9 and name H2') 2.50 0.70 0.00
assign (resid 10 and name H8) (resid 9 and name H3') 3.50 1.70 0.00
assign (resid 10 and name H8) (resid 10 and name H1') 5.50 3.00 0.00
assign (resid 10 and name H8) (resid 10 and name H2') 4.50 2.50 0.00
assign (resid 10 and name H8) (resid 10 and name H3') 4.50 2.50 0.00
assign (resid 10 and name H8) (resid 10 and name H5'') 5.50 3.00 0.00
assign (resid 10 and name H8) (resid 10 and name H5') 5.50 3.00 0.00
assign (resid 10 and name H8) (resid 11 and name H8) 5.50 3.00 0.00
assign (resid 11 and name H2) (resid 10 and name H2) 5.50 3.00 0.00
assign (resid 11 and name H2) (resid 11 and name H1') 5.50 3.00 0.00
assign (resid 11 and name H2) (resid 12 and name H1') 5.50 3.00 0.00
assign (resid 11 and name H2) (resid 10 and name H2) 5.50 3.00 0.00
assign (resid 11 and name H2) (resid 25 and name H1') 5.50 3.00 0.00
assign (resid 11 and name H61) (resid 12 and name H61) 5.00 3.20 0.00
assign (resid 11 and name H8) (resid 10 and name H1') 5.50 3.00 0.00
assign (resid 11 and name H8) (resid 11 and name H1') 5.50 3.00 0.00
assign (resid 11 and name H8) (resid 11 and name H2') 5.50 3.00 0.00
assign (resid 11 and name H8) (resid 11 and name H3') 5.50 3.00 0.00
assign (resid 11 and name H8) (resid 11 and name H4') 5.50 3.00 0.00
assign (resid 11 and name H8) (resid 11 and name H5'*) 5.50 3.00 0.00
assign (resid 12 and name H1') (resid 13 and name H1') 6.50 3.50 0.00
assign (resid 12 and name H1') (resid 13 and name H5'*) 4.50 2.50 1.00
assign (resid 12 and name H2) (resid 13 and name H1') 4.50 2.50 0.00
assign (resid 12 and name H2) (resid 13 and name H2') 6.50 3.50 0.00
assign (resid 12 and name H2) (resid 23 and name H2') 6.50 3.50 0.00
assign (resid 12 and name H2) (resid 24 and name H1') 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 11 and name H1') 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 12 and name H1') 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 12 and name H2') 4.50 2.50 0.00
assign (resid 12 and name H8) (resid 12 and name H3') 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 12 and name H5'*) 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 13 and name H5) 5.50 3.00 0.00
assign (resid 12 and name H8) (resid 13 and name H6) 5.50 3.00 0.00
assign (resid 13 and name H1') (resid 12 and name H2') 4.50 2.50 0.00
assign (resid 13 and name H1') (resid 14 and name H5'*) 5.50 3.00 0.00
assign (resid 13 and name H41) (resid 12 and name H2) 5.00 3.20 0.00
assign (resid 13 and name H5) (resid 12 and name H1') 6.50 3.50 0.00
assign (resid 13 and name H5) (resid 12 and name H2') 3.50 1.70 0.00
assign (resid 13 and name H5) (resid 12 and name H3') 3.50 1.70 0.00
assign (resid 13 and name H5) (resid 13 and name H3') 5.50 3.00 0.00
assign (resid 13 and name H5) (resid 13 and name H4') 6.50 3.50 0.00
assign (resid 13 and name H5) (resid 14 and name H8) 6.50 3.50 0.00
assign (resid 13 and name H6) (resid 12 and name H1') 4.50 2.50 0.00
assign (resid 13 and name H6) (resid 12 and name H2') 2.50 0.70 0.00
assign (resid 13 and name H6) (resid 12 and name H3') 3.50 1.70 0.00
assign (resid 13 and name H6) (resid 12 and name H4') 5.50 3.00 0.00
assign (resid 13 and name H6) (resid 13 and name H1') 5.50 3.00 0.00
assign (resid 13 and name H6) (resid 13 and name H3') 3.50 1.70 0.00
assign (resid 13 and name H6) (resid 14 and name H8) 5.50 3.00 0.00
assign (resid 14 and name H1') (resid 13 and name H1') 6.50 3.50 0.00
assign (resid 14 and name H1') (resid 13 and name H2') 4.50 2.50 0.00
assign (resid 14 and name H1') (resid 15 and name H1') 6.50 3.50 0.00
assign (resid 14 and name H1') (resid 15 and name H5'') 6.50 3.50 0.00
assign (resid 14 and name H2') (resid 15 and name H1') 4.50 2.50 0.00
assign (resid 14 and name H2') (resid 15 and name H3') 3.50 1.70 1.00
assign (resid 14 and name H2') (resid 15 and name H4') 5.50 3.00 0.00
assign (resid 14 and name H2') (resid 15 and name H5'*) 4.50 2.50 0.00
assign (resid 14 and name H2) (resid 14 and name H1') 5.50 3.00 0.00
assign (resid 14 and name H2) (resid 15 and name H1') 4.50 2.50 0.00
assign (resid 14 and name H2) (resid 15 and name H2') 6.50 3.50 0.00
assign (resid 14 and name H2) (resid 22 and name H1') 4.50 2.50 0.00
assign (resid 14 and name H2) (resid 22 and name H8) 6.50 3.50 0.00
assign (resid 14 and name H8) (resid 13 and name H1') 4.50 2.50 0.00
assign (resid 14 and name H8) (resid 13 and name H2') 2.50 0.70 0.00
assign (resid 14 and name H8) (resid 13 and name H3') 3.50 1.70 0.00
assign (resid 14 and name H8) (resid 14 and name H1') 4.50 2.50 0.00
assign (resid 14 and name H8) (resid 14 and name H2') 4.50 2.50 0.00
assign (resid 14 and name H8) (resid 14 and name H3') 5.50 3.00 0.00
assign (resid 14 and name H8) (resid 14 and name H4') 4.50 2.50 0.00
assign (resid 14 and name H8) (resid 14 and name H5') 5.50 3.00 0.00
assign (resid 14 and name H8) (resid 15 and name H8) 5.50 3.00 0.00
assign (resid 15 and name H1') (resid 16 and name H5'*) 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 15 and name H2') 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 16 and name H1') 5.00 3.20 0.00
assign (resid 15 and name H1) (resid 16 and name H2') 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 16 and name H3) 5.50 3.00 0.00
assign (resid 15 and name H1) (resid 16 and name H5) 5.50 3.00 0.00
assign (resid 15 and name H1) (resid 19 and name H1) 5.50 3.00 0.00
assign (resid 15 and name H1) (resid 19 and name H21) 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 20 and name H1') 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 20 and name H2') 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 20 and name H3') 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 20 and name H41) 3.50 1.70 0.00
assign (resid 15 and name H1) (resid 20 and name H41) 3.50 1.70 0.00
assign (resid 15 and name H1) (resid 20 and name H42) 5.00 3.20 0.00
assign (resid 15 and name H1) (resid 20 and name H5) 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 20 and name H6) 6.50 3.50 0.00
assign (resid 15 and name H1) (resid 21 and name H3) 5.00 3.20 0.00
assign (resid 15 and name H1) (resid 21 and name H6) 6.50 3.50 0.00
assign (resid 15 and name H2') (resid 16 and name H2') 4.50 2.50 1.00
assign (resid 15 and name H2') (resid 16 and name H4') 3.50 1.70 0.00
assign (resid 15 and name H2') (resid 16 and name H5'*) 3.50 1.70 0.00
assign (resid 15 and name H8) (resid 14 and name H1') 4.50 2.50 0.00
assign (resid 15 and name H8) (resid 14 and name H2') 2.50 0.70 0.00
assign (resid 15 and name H8) (resid 14 and name H3') 4.50 2.50 0.00
assign (resid 15 and name H8) (resid 14 and name H5') 6.50 3.50 0.00
assign (resid 15 and name H8) (resid 15 and name H1') 4.50 2.50 0.00
assign (resid 15 and name H8) (resid 15 and name H2') 4.50 2.50 0.00
assign (resid 15 and name H8) (resid 15 and name H3') 3.50 1.70 0.00
assign (resid 15 and name H8) (resid 15 and name H4') 5.50 3.00 0.00
assign (resid 15 and name H8) (resid 15 and name H5'') 3.50 1.70 0.00
assign (resid 15 and name H8) (resid 16 and name H5) 4.50 2.50 0.00
assign (resid 16 and name H1') (resid 15 and name H2') 3.50 1.70 0.00
assign (resid 16 and name H2') (resid 17 and name H2') 5.50 3.00 0.00
assign (resid 16 and name H3) (resid 15 and name H1) 5.00 3.20 0.00
assign (resid 16 and name H3) (resid 16 and name H1') 6.50 3.50 0.00
assign (resid 16 and name H3) (resid 18 and name H1') 6.50 3.50 0.00
assign (resid 16 and name H3) (resid 19 and name H1) 5.00 3.20 0.00
assign (resid 16 and name H3) (resid 19 and name H21) 5.50 3.00 0.00
assign (resid 16 and name H3) (resid 19 and name H21) 6.50 3.50 0.00
assign (resid 16 and name H3) (resid 20 and name H41) 6.50 3.50 0.00
assign (resid 16 and name H3) (resid 20 and name H42) 6.50 3.50 0.00
assign (resid 16 and name H5) (resid 15 and name H2') 3.50 1.70 1.00
assign (resid 16 and name H5) (resid 15 and name H3') 3.50 1.70 0.00
assign (resid 16 and name H5) (resid 16 and name H3') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 15 and name H1') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 15 and name H2') 2.50 0.70 0.00
assign (resid 16 and name H6) (resid 15 and name H3') 3.50 1.70 0.00
assign (resid 16 and name H6) (resid 15 and name H8) 5.50 3.00 0.00
assign (resid 16 and name H6) (resid 16 and name H1') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 16 and name H2') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 16 and name H3') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 16 and name H4') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 16 and name H5'') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 16 and name H5') 4.50 2.50 0.00
assign (resid 16 and name H6) (resid 18 and name H42) 5.00 3.20 0.00
assign (resid 17 and name H1') (resid 16 and name H2') 6.50 3.50 0.00
assign (resid 17 and name H2') (resid 18 and name H5'') 6.50 3.50 0.00
assign (resid 17 and name H3') (resid 18 and name H2') 4.50 2.50 0.00
assign (resid 17 and name H3') (resid 18 and name H4') 6.50 3.50 0.00
assign (resid 17 and name H3') (resid 18 and name H5'') 4.50 2.50 0.00
assign (resid 17 and name H3') (resid 18 and name H5') 5.50 3.00 0.00
assign (resid 17 and name H4') (resid 18 and name H5'') 6.50 3.50 0.00
assign (resid 17 and name H5) (resid 16 and name H3') 5.50 3.00 0.00
assign (resid 17 and name H5) (resid 16 and name H4') 3.50 1.70 0.00
assign (resid 17 and name H5) (resid 16 and name H5'') 5.50 3.00 0.00
assign (resid 17 and name H5) (resid 17 and name H2') 4.50 2.50 0.00
assign (resid 17 and name H5) (resid 17 and name H5'') 4.50 2.50 1.00
assign (resid 17 and name H6) (resid 16 and name H1') 5.50 3.00 0.00
assign (resid 17 and name H6) (resid 16 and name H2') 5.50 3.00 0.00
assign (resid 17 and name H6) (resid 16 and name H3') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 16 and name H4') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 17 and name H1') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 17 and name H2') 3.50 1.70 0.00
assign (resid 17 and name H6) (resid 17 and name H3') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 17 and name H5'') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 17 and name H5') 4.50 2.50 0.00
assign (resid 17 and name H6) (resid 18 and name H5) 6.50 3.50 0.00
assign (resid 17 and name H6) (resid 18 and name H6) 6.50 3.50 0.00
assign (resid 18 and name H1') (resid 19 and name H3') 6.50 3.50 0.00
assign (resid 18 and name H1') (resid 19 and name H5'*) 4.50 2.50 0.00
assign (resid 18 and name H3') (resid 19 and name H5'*) 3.50 1.70 1.00
assign (resid 18 and name H4') (resid 19 and name H1') 6.50 3.50 0.00
assign (resid 18 and name H4') (resid 19 and name H2') 5.50 3.00 0.00
assign (resid 18 and name H4') (resid 19 and name H3') 3.50 1.70 0.00
assign (resid 18 and name H4') (resid 19 and name H4') 4.50 2.50 0.00
assign (resid 18 and name H4') (resid 19 and name H5'*) 3.50 1.70 0.00
assign (resid 18 and name H42) (resid 16 and name H1') 6.50 3.50 0.00
assign (resid 18 and name H42) (resid 16 and name H2') 6.50 3.50 0.00
assign (resid 18 and name H42) (resid 16 and name H3') 6.50 3.50 0.00
assign (resid 18 and name H42) (resid 17 and name H2') 6.50 3.50 0.00
assign (resid 18 and name H5) (resid 16 and name H1') 6.50 3.50 0.00
assign (resid 18 and name H5) (resid 16 and name H2') 3.50 1.70 0.00
assign (resid 18 and name H5) (resid 16 and name H3') 5.50 3.00 0.00
assign (resid 18 and name H5) (resid 16 and name H6) 6.50 3.50 0.00
assign (resid 18 and name H5) (resid 17 and name H2') 3.50 1.70 0.00
assign (resid 18 and name H5) (resid 17 and name H3') 3.50 1.70 0.00
assign (resid 18 and name H5) (resid 17 and name H4') 5.50 3.00 0.00
assign (resid 18 and name H5) (resid 17 and name H5') 3.50 1.70 0.00
assign (resid 18 and name H6) (resid 16 and name H2') 4.50 2.50 0.00
assign (resid 18 and name H6) (resid 17 and name H1') 5.50 3.00 1.00
assign (resid 18 and name H6) (resid 17 and name H3') 2.50 0.70 0.00
assign (resid 18 and name H6) (resid 17 and name H4') 5.50 3.00 0.00
assign (resid 18 and name H6) (resid 17 and name H5'') 5.50 3.00 0.00
assign (resid 18 and name H6) (resid 17 and name H5') 4.50 2.50 0.00
assign (resid 18 and name H6) (resid 18 and name H1') 4.50 2.50 0.00
assign (resid 18 and name H6) (resid 18 and name H2') 3.50 1.70 0.00
assign (resid 18 and name H6) (resid 18 and name H3') 5.50 2.50 0.00
assign (resid 18 and name H6) (resid 18 and name H4') 5.50 3.00 0.00
assign (resid 18 and name H6) (resid 18 and name H5'') 4.50 2.50 0.00
assign (resid 18 and name H6) (resid 18 and name H5') 5.50 2.50 0.00
assign (resid 19 and name H1') (resid 20 and name H5'*) 4.50 2.50 0.00
assign (resid 19 and name H1) (resid 15 and name H1) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 16 and name H1') 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 16 and name H2') 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 16 and name H6) 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 16 and name H6) 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 17 and name H2') 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 17 and name H3') 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 18 and name H1') 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 18 and name H42) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 18 and name H5'') 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 18 and name H5) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 18 and name H6) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 19 and name H2') 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 19 and name H5') 6.50 3.50 0.00
assign (resid 19 and name H1) (resid 20 and name H1') 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 20 and name H41) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 20 and name H42) 5.00 3.20 0.00
assign (resid 19 and name H1) (resid 20 and name H6) 6.50 3.50 0.00
assign (resid 19 and name H2') (resid 20 and name H3') 4.50 2.50 0.00
assign (resid 19 and name H2') (resid 20 and name H4') 4.50 2.50 0.00
assign (resid 19 and name H2') (resid 20 and name H5'*) 2.50 0.70 0.00
assign (resid 19 and name H22) (resid 19 and name H3') 5.00 3.20 0.00
assign (resid 19 and name H22) (resid 19 and name H5'*) 6.50 3.50 0.00
assign (resid 19 and name H3') (resid 20 and name H5'*) 3.50 1.70 0.00
assign (resid 19 and name H8) (resid 18 and name H4') 5.50 3.00 0.00
assign (resid 19 and name H8) (resid 18 and name H5'') 5.50 3.00 0.00
assign (resid 19 and name H8) (resid 18 and name H5') 5.50 3.00 0.00
assign (resid 19 and name H8) (resid 19 and name H1') 2.50 0.70 0.00
assign (resid 19 and name H8) (resid 19 and name H2') 4.50 2.50 0.00
assign (resid 19 and name H8) (resid 19 and name H3') 5.50 3.00 0.00
assign (resid 19 and name H8) (resid 19 and name H4') 6.50 3.50 0.00
assign (resid 20 and name H2') (resid 21 and name H2') 5.50 3.00 0.00
assign (resid 20 and name H2') (resid 21 and name H3') 4.50 2.50 0.00
assign (resid 20 and name H2') (resid 21 and name H4') 4.50 2.50 0.00
assign (resid 20 and name H2') (resid 21 and name H5'*) 3.50 1.70 0.00
assign (resid 20 and name H42) (resid 19 and name H3') 5.00 3.20 0.00
assign (resid 20 and name H5) (resid 19 and name H3') 4.50 2.50 0.00
assign (resid 20 and name H5) (resid 20 and name H1') 5.50 3.00 0.00
assign (resid 20 and name H5) (resid 20 and name H2') 5.50 3.00 0.00
assign (resid 20 and name H5) (resid 20 and name H3') 5.50 3.00 0.00
assign (resid 20 and name H5) (resid 21 and name H5) 4.50 2.50 0.00
assign (resid 20 and name H6) (resid 19 and name H2') 4.50 2.50 0.00
assign (resid 20 and name H6) (resid 19 and name H3') 3.50 1.70 0.00
assign (resid 20 and name H6) (resid 19 and name H4') 5.50 3.00 0.00
assign (resid 20 and name H6) (resid 19 and name H5'*) 5.50 3.00 0.00
assign (resid 20 and name H6) (resid 20 and name H1') 4.50 2.50 0.00
assign (resid 20 and name H6) (resid 20 and name H2') 4.50 2.50 0.00
assign (resid 20 and name H6) (resid 20 and name H3') 3.50 1.70 0.00
assign (resid 20 and name H6) (resid 20 and name H4') 5.50 2.50 0.00
assign (resid 20 and name H6) (resid 20 and name H5'') 4.50 2.50 0.00
assign (resid 20 and name H6) (resid 21 and name H5) 5.50 3.00 0.00
assign (resid 20 and name H6) (resid 21 and name H6) 5.50 3.00 0.00
assign (resid 21 and name H1') (resid 20 and name H2') 4.50 2.50 0.00
assign (resid 21 and name H2') (resid 22 and name H3') 4.50 2.50 0.00
assign (resid 21 and name H2') (resid 22 and name H4') 3.50 1.70 0.00
assign (resid 21 and name H2') (resid 22 and name H5'*) 4.50 2.50 0.00
assign (resid 21 and name H3) (resid 13 and name H41) 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 13 and name H42) 6.50 3.50 0.00
assign (resid 21 and name H3) (resid 14 and name H2) 3.50 1.70 0.00
assign (resid 21 and name H3) (resid 14 and name H61) 3.50 1.70 0.00
assign (resid 21 and name H3) (resid 14 and name H62) 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 20 and name H41) 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 21 and name H1') 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 21 and name H2') 6.50 3.50 0.00
assign (resid 21 and name H3) (resid 21 and name H3') 6.50 3.50 0.00
assign (resid 21 and name H3) (resid 22 and name H1') 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 22 and name H1) 5.00 3.20 0.00
assign (resid 21 and name H3) (resid 22 and name H8) 5.00 3.20 0.00
assign (resid 21 and name H5) (resid 20 and name H1') 6.50 3.50 0.00
assign (resid 21 and name H5) (resid 20 and name H2') 3.50 1.70 0.00
assign (resid 21 and name H5) (resid 20 and name H3') 3.50 1.70 0.00
assign (resid 21 and name H6) (resid 20 and name H2') 2.50 0.70 0.00
assign (resid 21 and name H6) (resid 20 and name H3') 3.50 1.70 0.00
assign (resid 21 and name H6) (resid 20 and name H4') 5.50 3.00 0.00
assign (resid 21 and name H6) (resid 21 and name H1') 5.50 3.00 0.00
assign (resid 21 and name H6) (resid 21 and name H2') 5.50 3.00 0.00
assign (resid 21 and name H6) (resid 21 and name H3') 4.50 2.50 0.00
assign (resid 21 and name H6) (resid 21 and name H4') 4.50 2.50 0.00
assign (resid 21 and name H6) (resid 21 and name H5'') 4.50 2.50 0.00
assign (resid 21 and name H6) (resid 21 and name H5') 5.50 3.00 0.00
assign (resid 21 and name H6) (resid 22 and name H8) 5.50 3.00 0.00
assign (resid 22 and name H1') (resid 21 and name H1') 6.50 3.50 0.00
assign (resid 22 and name H1) (resid 12 and name H2) 5.00 3.20 0.00
assign (resid 22 and name H1) (resid 13 and name H1') 6.50 3.50 0.00
assign (resid 22 and name H1) (resid 13 and name H41) 3.50 1.70 0.00
assign (resid 22 and name H1) (resid 13 and name H42) 5.00 3.20 0.00
assign (resid 22 and name H1) (resid 13 and name H5) 6.50 3.20 0.00
assign (resid 22 and name H1) (resid 14 and name H2) 5.00 3.20 0.00
assign (resid 22 and name H1) (resid 14 and name H62) 5.00 3.20 0.00
assign (resid 22 and name H1) (resid 14 and name H8) 6.50 3.50 0.00
assign (resid 22 and name H1) (resid 22 and name H1') 6.50 3.50 0.00
assign (resid 22 and name H1) (resid 23 and name H1') 6.50 3.50 0.00
assign (resid 22 and name H2') (resid 23 and name H1') 4.50 2.50 0.00
assign (resid 22 and name H8) (resid 21 and name H1') 4.50 2.50 0.00
assign (resid 22 and name H8) (resid 21 and name H2') 2.50 0.70 0.00
assign (resid 22 and name H8) (resid 21 and name H3') 4.50 2.50 0.00
assign (resid 22 and name H8) (resid 21 and name H4') 5.50 3.00 0.00
assign (resid 22 and name H8) (resid 21 and name H5) 6.50 3.50 0.00
assign (resid 22 and name H8) (resid 22 and name H1') 4.50 2.50 0.00
assign (resid 22 and name H8) (resid 23 and name H5) 5.50 3.00 0.00
assign (resid 22 and name H8) (resid 23 and name H6) 5.50 3.00 0.00
assign (resid 23 and name H2') (resid 24 and name H4') 3.50 1.70 0.00
assign (resid 23 and name H2') (resid 24 and name H5'*) 3.50 1.70 0.00
assign (resid 23 and name H3) (resid 11 and name H2) 6.50 3.50 0.00
assign (resid 23 and name H3) (resid 11 and name H62) 5.00 3.20 0.00
assign (resid 23 and name H3) (resid 12 and name H1') 6.50 3.50 0.00
assign (resid 23 and name H3) (resid 12 and name H2) 5.00 3.20 0.00
assign (resid 23 and name H3) (resid 12 and name H61) 3.50 1.70 0.00
assign (resid 23 and name H3) (resid 12 and name H62) 5.00 3.20 0.00
assign (resid 23 and name H3) (resid 22 and name H21) 6.50 3.50 0.00
assign (resid 23 and name H3) (resid 24 and name H21) 5.00 3.20 0.00
assign (resid 23 and name H3) (resid 24 and name H8) 5.00 3.20 0.00
assign (resid 23 and name H5) (resid 22 and name H1') 5.50 3.00 0.00
assign (resid 23 and name H5) (resid 22 and name H2') 3.50 1.70 0.00
assign (resid 23 and name H5) (resid 22 and name H3') 3.50 1.70 0.00
assign (resid 23 and name H5) (resid 23 and name H3') 5.50 3.00 0.00
assign (resid 23 and name H5) (resid 24 and name H8) 4.50 2.50 0.00
assign (resid 23 and name H6) (resid 22 and name H1') 4.50 2.50 0.00
assign (resid 23 and name H6) (resid 22 and name H2') 2.50 0.70 0.00
assign (resid 23 and name H6) (resid 22 and name H3') 3.50 1.70 0.00
assign (resid 23 and name H6) (resid 23 and name H1') 5.50 3.00 0.00
assign (resid 23 and name H6) (resid 23 and name H2') 5.50 3.00 0.00
assign (resid 23 and name H6) (resid 23 and name H3') 3.50 1.70 0.00
assign (resid 23 and name H6) (resid 23 and name H4') 4.50 2.50 0.00
assign (resid 23 and name H6) (resid 23 and name H5'*) 4.50 2.50 0.00
assign (resid 24 and name H1') (resid 23 and name H2') 5.50 3.00 0.00
assign (resid 24 and name H1) (resid 11 and name H62) 5.00 3.20 0.00
assign (resid 24 and name H1) (resid 12 and name H61) 5.00 3.20 0.00
assign (resid 24 and name H1) (resid 12 and name H62) 6.50 3.50 0.00
assign (resid 24 and name H1) (resid 25 and name H41) 5.00 3.20 0.00
assign (resid 24 and name H1) (resid 25 and name H5) 6.50 3.50 0.00
assign (resid 24 and name H2') (resid 25 and name H4') 3.50 1.70 0.00
assign (resid 24 and name H2') (resid 25 and name H5'') 3.50 1.70 0.00
assign (resid 24 and name H2') (resid 25 and name H5') 4.50 2.50 0.00
assign (resid 24 and name H3) (resid 11 and name H2) 5.00 3.20 0.00
assign (resid 24 and name H8) (resid 23 and name H1') 4.50 2.50 0.00
assign (resid 24 and name H8) (resid 23 and name H2') 3.50 1.70 0.00
assign (resid 24 and name H8) (resid 23 and name H3') 4.50 2.50 0.00
assign (resid 24 and name H8) (resid 23 and name H6) 5.50 3.00 0.00
assign (resid 24 and name H8) (resid 24 and name H1') 4.50 2.50 0.00
assign (resid 24 and name H8) (resid 24 and name H2') 4.50 2.50 0.00
assign (resid 24 and name H8) (resid 24 and name H3') 4.50 2.50 0.00
assign (resid 24 and name H8) (resid 24 and name H5'') 5.50 3.00 0.00
assign (resid 24 and name H8) (resid 24 and name H5') 5.50 3.00 0.00
assign (resid 25 and name H1') (resid 24 and name H2') 5.50 3.00 0.00
assign (resid 25 and name H2') (resid 26 and name H1') 5.50 3.00 0.00
assign (resid 25 and name H5) (resid 24 and name H2') 3.50 1.70 1.00
assign (resid 25 and name H5) (resid 24 and name H3') 3.50 1.70 1.00
assign (resid 25 and name H5) (resid 24 and name H8) 5.50 3.00 0.00
assign (resid 25 and name H6) (resid 24 and name H1') 4.50 2.50 0.00
assign (resid 25 and name H6) (resid 24 and name H2') 3.50 1.70 0.00
assign (resid 25 and name H6) (resid 24 and name H3') 3.50 1.70 0.00
assign (resid 25 and name H6) (resid 24 and name H4') 4.50 2.50 1.00
assign (resid 25 and name H6) (resid 24 and name H5'*) 4.50 2.50 1.00
assign (resid 25 and name H6) (resid 25 and name H1') 5.50 3.00 0.00
assign (resid 25 and name H6) (resid 25 and name H2') 4.50 2.50 0.00
assign (resid 25 and name H6) (resid 25 and name H3') 4.50 2.50 0.00
assign (resid 25 and name H6) (resid 25 and name H4') 5.50 3.00 0.00
assign (resid 25 and name H6) (resid 25 and name H5'') 5.50 3.00 0.00
assign (resid 25 and name H6) (resid 25 and name H5') 4.50 2.50 0.00
assign (resid 26 and name H2') (resid 27 and name H5'*) 4.50 2.50 0.00
assign (resid 26 and name H6) (resid 25 and name H2') 5.50 3.00 0.00
assign (resid 26 and name H6) (resid 26 and name H1') 4.50 2.50 0.00
assign (resid 26 and name H6) (resid 26 and name H2') 4.50 2.50 0.00
assign (resid 26 and name H6) (resid 26 and name H3') 5.50 3.00 0.00
assign (resid 27 and name H1') (resid 26 and name H2') 5.50 3.00 0.00
assign (resid 27 and name H8) (resid 25 and name H3') 3.50 1.70 0.00
assign (resid 27 and name H8) (resid 26 and name H1') 4.50 2.50 0.00
assign (resid 27 and name H8) (resid 26 and name H2') 3.50 1.70 0.00
assign (resid 27 and name H8) (resid 26 and name H3') 3.50 1.70 0.00
assign (resid 27 and name H8) (resid 26 and name H6) 4.50 2.50 0.00
assign (resid 27 and name H8) (resid 27 and name H1') 4.50 2.50 0.00
assign (resid 27 and name H8) (resid 27 and name H2') 4.50 2.50 0.00
assign (resid 27 and name H8) (resid 27 and name H5'') 3.50 1.70 0.00
assign (resid 28 and name H2) (resid 27 and name H1') 5.50 3.00 0.00
assign (resid 28 and name H2) (resid 28 and name H1') 4.50 2.50 0.00
assign (resid 28 and name H2) (resid 29 and name H2) 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 27 and name H1') 6.50 3.50 0.00
assign (resid 28 and name H8) (resid 27 and name H2') 4.50 2.50 0.00
assign (resid 28 and name H8) (resid 27 and name H3') 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 28 and name H1') 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 28 and name H2') 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 28 and name H4') 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 28 and name H5'') 5.50 3.00 0.00
assign (resid 28 and name H8) (resid 28 and name H5') 4.50 2.50 0.00
assign (resid 29 and name H2) (resid 6 and name H1') 6.50 3.50 0.00
assign (resid 29 and name H2) (resid 7 and name H1') 5.50 3.00 0.00
assign (resid 29 and name H2) (resid 30 and name H1') 5.50 3.00 0.00
assign (resid 29 and name H8) (resid 28 and name H1') 5.50 3.00 0.00
assign (resid 29 and name H8) (resid 28 and name H2') 3.50 1.70 0.00
assign (resid 29 and name H8) (resid 29 and name H1') 4.50 2.50 0.00
assign (resid 29 and name H8) (resid 29 and name H2') 4.50 2.50 0.00
assign (resid 29 and name H8) (resid 29 and name H3') 3.50 1.70 0.00
assign (resid 29 and name H8) (resid 29 and name H4') 5.50 3.00 0.00
assign (resid 29 and name H8) (resid 29 and name H5'*) 4.50 2.50 0.00
assign (resid 29 and name H8) (resid 30 and name H8) 5.50 3.00 0.00
assign (resid 30 and name H1') (resid 31 and name H5'*) 4.50 2.50 0.00
assign (resid 30 and name H2) (resid 6 and name H1') 5.50 3.00 0.00
assign (resid 30 and name H2) (resid 29 and name H2) 5.50 3.00 0.00
assign (resid 30 and name H2) (resid 31 and name H1') 4.50 2.50 0.00
assign (resid 30 and name H8) (resid 29 and name H1') 4.50 2.50 0.00
assign (resid 30 and name H8) (resid 29 and name H3') 4.50 2.50 0.00
assign (resid 30 and name H8) (resid 30 and name H1') 4.50 2.50 0.00
assign (resid 30 and name H8) (resid 30 and name H2') 4.50 2.50 0.00
assign (resid 30 and name H8) (resid 30 and name H3') 3.50 1.70 0.00
assign (resid 30 and name H8) (resid 30 and name H4') 5.50 3.00 0.00
assign (resid 31 and name H1') (resid 30 and name H2') 5.50 3.00 0.00
assign (resid 31 and name H1) (resid 4 and name H1') 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 4 and name H41) 3.50 1.70 0.00
assign (resid 31 and name H1) (resid 4 and name H42) 5.00 3.20 0.00
assign (resid 31 and name H1) (resid 4 and name H5) 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 4 and name H6) 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 5 and name H1') 5.00 3.20 0.00
assign (resid 31 and name H1) (resid 5 and name H5) 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 5 and name H6) 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 30 and name H2) 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 32 and name H1') 6.50 3.50 0.00
assign (resid 31 and name H1) (resid 32 and name H8) 6.50 3.50 0.00
assign (resid 31 and name H8) (resid 30 and name H1') 4.50 2.50 0.00
assign (resid 31 and name H8) (resid 30 and name H2') 2.50 0.70 0.00
assign (resid 31 and name H8) (resid 30 and name H2) 5.50 3.00 0.00
assign (resid 31 and name H8) (resid 30 and name H3') 3.50 1.70 0.00
assign (resid 31 and name H8) (resid 30 and name H4') 6.50 3.50 0.00
assign (resid 31 and name H8) (resid 30 and name H8) 6.50 3.50 0.00
assign (resid 31 and name H8) (resid 31 and name H1') 4.50 2.50 0.00
assign (resid 31 and name H8) (resid 31 and name H2') 4.50 2.50 0.00
assign (resid 31 and name H8) (resid 31 and name H3') 3.50 1.70 0.00
assign (resid 31 and name H8) (resid 31 and name H4') 5.50 3.00 0.00
assign (resid 31 and name H8) (resid 31 and name H5'') 3.50 1.70 0.00
assign (resid 32 and name H1) (resid 3 and name H41) 3.50 1.70 0.00
assign (resid 32 and name H1) (resid 31 and name H1) 5.00 3.20 0.00
assign (resid 32 and name H2') (resid 33 and name H4') 5.50 3.00 0.00
assign (resid 32 and name H2') (resid 33 and name H5'*) 5.50 3.00 0.00
assign (resid 32 and name H8) (resid 31 and name H1') 5.50 3.00 0.00
assign (resid 32 and name H8) (resid 32 and name H1') 4.50 2.50 0.00
assign (resid 32 and name H8) (resid 32 and name H2') 4.50 2.50 0.00
assign (resid 32 and name H8) (resid 33 and name H5) 5.50 3.00 0.00
assign (resid 33 and name H1') (resid 32 and name H2') 5.50 3.00 0.00
assign (resid 33 and name H2') (resid 34 and name H1') 5.50 3.00 0.00
assign (resid 33 and name H2') (resid 34 and name H2') 4.50 2.50 1.00
assign (resid 33 and name H2') (resid 34 and name H3') 4.50 2.50 1.00
assign (resid 33 and name H2') (resid 34 and name H5'*) 3.50 1.70 1.00
assign (resid 33 and name H3) (resid 2 and name H21) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 3 and name H41) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 32 and name H1) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 33 and name H1') 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 33 and name H2') 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 33 and name H3') 6.50 3.50 0.00
assign (resid 33 and name H3) (resid 33 and name H5) 6.50 3.50 0.00
assign (resid 33 and name H3) (resid 34 and name H1') 6.50 3.50 0.00
assign (resid 33 and name H3) (resid 34 and name H41) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 34 and name H42) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 34 and name H5) 5.00 3.20 0.00
assign (resid 33 and name H3) (resid 34 and name H6) 6.50 3.50 0.00
assign (resid 33 and name H5) (resid 32 and name H2') 4.50 2.50 0.00
assign (resid 33 and name H5) (resid 32 and name H3') 3.50 1.70 0.00
assign (resid 33 and name H5) (resid 33 and name H3') 5.50 3.00 0.00
assign (resid 33 and name H5) (resid 34 and name H5) 5.50 3.00 0.00
assign (resid 33 and name H6) (resid 32 and name H1') 4.50 2.50 0.00
assign (resid 33 and name H6) (resid 32 and name H2') 3.50 1.70 0.00
assign (resid 33 and name H6) (resid 32 and name H3') 3.50 1.70 0.00
assign (resid 33 and name H6) (resid 32 and name H8) 5.50 3.00 0.00
assign (resid 33 and name H6) (resid 33 and name H1') 5.50 3.00 0.00
assign (resid 33 and name H6) (resid 33 and name H2') 5.50 3.00 0.00
assign (resid 33 and name H6) (resid 33 and name H3') 4.50 2.50 0.00
assign (resid 33 and name H6) (resid 33 and name H4') 5.50 3.00 0.00
assign (resid 33 and name H6) (resid 33 and name H5') 4.50 2.50 0.00
assign (resid 33 and name H6) (resid 34 and name H6) 6.50 3.50 0.00
assign (resid 34 and name H5) (resid 33 and name H2') 3.50 1.70 0.00
assign (resid 34 and name H5) (resid 33 and name H3') 5.50 3.00 0.00
assign (resid 34 and name H5) (resid 33 and name H6) 5.50 3.00 0.00
assign (resid 34 and name H5) (resid 34 and name H2') 5.50 3.00 0.00
assign (resid 34 and name H5) (resid 34 and name H3') 5.50 3.00 0.00
assign (resid 34 and name H6) (resid 33 and name H1') 4.50 2.50 0.00
assign (resid 34 and name H6) (resid 33 and name H2') 2.50 0.70 0.00
assign (resid 34 and name H6) (resid 33 and name H3') 3.50 1.70 0.00
assign (resid 34 and name H6) (resid 34 and name H1') 4.50 2.50 0.00
assign (resid 34 and name H6) (resid 34 and name H2') 4.50 2.50 0.00
assign (resid 34 and name H6) (resid 34 and name H3') 4.50 2.50 0.00
assign (resid 34 and name H6) (resid 34 and name H4') 5.50 3.00 0.00
assign (resid 34 and name H6) (resid 34 and name H5') 4.50 2.50 0.00

! residual dipolar coupling (RDC) restraints
assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 1   and name H8  )
        ( resid 1   and name C8  )  31.9 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 2   and name H8  )
        ( resid 2   and name C8  )  32.9 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 11  and name H8  )
        ( resid 11  and name C8  )  27.6 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 12  and name H8  )
        ( resid 12  and name C8  )  29.2 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 15  and name H8  )
        ( resid 15  and name C8  )  25.4 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 19  and name H8  )
        ( resid 19  and name C8  )  29.8 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 20  and name H6  )
        ( resid 20  and name C6  )   9.1 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 22  and name H8  )
        ( resid 22  and name C8  )  32.9 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 31  and name H8  )
        ( resid 31  and name C8  )  22.3 1.5 1.5

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 32  and name H8  )
        ( resid 32  and name C8  )  16.3 1.5 1.5

! dihedral restraints
! chi angles

 assign (resi   1 and name O4'  )                        
        (resi   1 and name C1'  )                        
        (resi   1 and name N9   )                        
        (resi   1 and name C4   ) 3.0 -160.0 30.0 2 ! anti
                                    
 assign (resi   2 and name O4'  )                        
        (resi   2 and name C1'  )                        
        (resi   2 and name N9   )                          
        (resi   2 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   3 and name O4'  )                        
        (resi   3 and name C1'  )                        
        (resi   3 and name N1   )                          
        (resi   3 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   4 and name O4'  )                        
        (resi   4 and name C1'  )                        
        (resi   4 and name N1   )                          
        (resi   4 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   5 and name O4'  )                        
        (resi   5 and name C1'  )                        
        (resi   5 and name N1   )                        
        (resi   5 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   6 and name O4'  )                        
        (resi   6 and name C1'  )                        
        (resi   6 and name N1   )                        
        (resi   6 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   7 and name O4'  )                        
        (resi   7 and name C1'  )                        
        (resi   7 and name N9   )                        
        (resi   7 and name C4   ) 3.0 -160.0 30.0 2 ! anti
  
 assign (resi   8 and name O4'  )                        
        (resi   8 and name C1'  )                        
        (resi   8 and name N9   )                        
        (resi   8 and name C4   ) 3.0 -160.0 30.0 2 ! anti
  
 assign (resi   9 and name O4'  )                        
        (resi   9 and name C1'  )                        
        (resi   9 and name N9   )                        
        (resi   9 and name C4   ) 3.0 -160.0 30.0 2 ! anti
                                   
 assign (resi   10 and name O4'  )                        
        (resi   10 and name C1'  )                        
        (resi   10 and name N9   )                        
        (resi   10 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   11 and name O4'  )                        
        (resi   11 and name C1'  )                        
        (resi   11 and name N9   )                        
        (resi   11 and name C4   ) 3.0 -160.0 30.0 2 ! anti
   
 assign (resi   12 and name O4'  )                        
        (resi   12 and name C1'  )                        
        (resi   12 and name N9   )                        
        (resi   12 and name C4   ) 3.0 -160.0 30.0 2 ! anti
  
 assign (resi   13 and name O4'  )                        
        (resi   13 and name C1'  )                        
        (resi   13 and name N1   )                        
        (resi   13 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi   14 and name O4'  )                        
        (resi   14 and name C1'  )                        
        (resi   14 and name N9   )                          
        (resi   14 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  15 and name O4'  )                        
        (resi  15 and name C1'  )                        
        (resi  15 and name N9   )                        
        (resi  15 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  16 and name O4'  )                        
        (resi  16 and name C1'  )                        
        (resi  16 and name N1   )                        
        (resi  16 and name C2   ) 3.0 -160.0 30.0 2 ! anti
                                    
 assign (resi  17 and name O4'  )                        
        (resi  17 and name C1'  )                        
        (resi  17 and name N1   )                        
        (resi  17 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  18 and name O4'  )                        
        (resi  18 and name C1'  )                        
        (resi  18 and name N1   )                        
        (resi  18 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  19 and name O4'  )                        
        (resi  19 and name C1'  )                        
        (resi  19 and name N9   )                        
        (resi  19 and name C4   ) 3.0  60.0 30.0 2 ! syn

 assign (resi  20 and name O4'  )                        
        (resi  20 and name C1'  )                        
        (resi  20 and name N1   )                        
        (resi  20 and name C2   ) 3.0 -160.0 30.0 2 ! anti
                                     
 assign (resi  21 and name O4'  )                        
        (resi  21 and name C1'  )                        
        (resi  21 and name N1   )                        
        (resi  21 and name C2   ) 3.0 -160.0 30.0 2 ! anti
          
 assign (resi  22 and name O4'  )                        
        (resi  22 and name C1'  )                        
        (resi  22 and name N9   )                        
        (resi  22 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  23 and name O4'  )                        
        (resi  23 and name C1'  )                        
        (resi  23 and name N1   )                        
        (resi  23 and name C2   ) 3.0 -160.0 30.0 2 ! anti
 
 assign (resi  24 and name O4'  )                        
        (resi  24 and name C1'  )                        
        (resi  24 and name N9   )                        
        (resi  24 and name C4   ) 3.0 -160.0 30.0 2 ! anti
 
 assign (resi  25 and name O4'  )                        
        (resi  25 and name C1'  )                        
        (resi  25 and name N1   )                        
        (resi  25 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  26 and name O4'  )                        
        (resi  26 and name C1'  )                        
        (resi  26 and name N1   )                        
        (resi  26 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  27 and name O4'  )                        
        (resi  27 and name C1'  )                        
        (resi  27 and name N9   )                        
        (resi  27 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  28 and name O4'  )                        
        (resi  28 and name C1'  )                        
        (resi  28 and name N9   )                        
        (resi  28 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  29 and name O4'  )                        
        (resi  29 and name C1'  )                        
        (resi  29 and name N9   )                        
        (resi  29 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  30 and name O4'  )                        
        (resi  30 and name C1'  )                        
        (resi  30 and name N9   )                        
        (resi  30 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  31 and name O4'  )                        
        (resi  31 and name C1'  )                        
        (resi  31 and name N9   )                        
        (resi  31 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  32 and name O4'  )                        
        (resi  32 and name C1'  )                        
        (resi  32 and name N9   )                        
        (resi  32 and name C4   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  33 and name O4'  )                        
        (resi  33 and name C1'  )                        
        (resi  33 and name N1   )                        
        (resi  33 and name C2   ) 3.0 -160.0 30.0 2 ! anti

 assign (resi  34 and name O4'  )                        
        (resi  34 and name C1'  )                        
        (resi  34 and name N1   )                        
        (resi  34 and name C2   ) 3.0 -160.0 30.0 2 ! anti

! sugar puckers
assign  (resi    1 and name C5'  )
        (resi    1 and name C4'  )
        (resi    1 and name C3'  )
        (resi    1 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    2 and name C5'  )
        (resi    2 and name C4'  )
        (resi    2 and name C3'  )
        (resi    2 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    3 and name C5'  )
        (resi    3 and name C4'  )
        (resi    3 and name C3'  )
        (resi    3 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    4 and name C5'  )
        (resi    4 and name C4'  )
        (resi    4 and name C3'  )
        (resi    4 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    5 and name C5'  )
        (resi    5 and name C4'  )
        (resi    5 and name C3'  )
        (resi    5 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    6 and name C5'  )
        (resi    6 and name C4'  )
        (resi    6 and name C3'  )
        (resi    6 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    7 and name C5'  )
        (resi    7 and name C4'  )
        (resi    7 and name C3'  )
        (resi    7 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi    8 and name C5'  )
        (resi    8 and name C4'  )
        (resi    8 and name C3'  )
        (resi    8 and name O3'  )   3.0   120.0      60.0  2 !intermediate

assign  (resi    9 and name C5'  )
        (resi    9 and name C4'  )
        (resi    9 and name C3'  )
        (resi    9 and name O3'  )   3.0   120.0      60.0  2 !intermediate

assign  (resi   10 and name C5'  )
        (resi   10 and name C4'  )
        (resi   10 and name C3'  )
        (resi   10 and name O3'  )   3.0   120.0      60.0  2 !intermediate

assign  (resi   11 and name C5'  )
        (resi   11 and name C4'  )
        (resi   11 and name C3'  )
        (resi   11 and name O3'  )   3.0   120.0      60.0  2 !intermediate

assign  (resi   12 and name C5'  )
        (resi   12 and name C4'  )
        (resi   12 and name C3'  )
        (resi   12 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )
        (resi   13 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )
        (resi   14 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )
        (resi   15 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   16 and name C5'  )
        (resi   16 and name C4'  )
        (resi   16 and name C3'  )
        (resi   16 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   17 and name C5'  )
        (resi   17 and name C4'  )
        (resi   17 and name C3'  )
        (resi   17 and name O3'  )   3.0   145.0      30.0  2 !N-type

assign  (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )
        (resi   18 and name O3'  )   3.0   145.0      30.0  2 !N-type

assign  (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )
        (resi   19 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )
        (resi   20 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   21 and name C5'  )
        (resi   21 and name C4'  )
        (resi   21 and name C3'  )
        (resi   21 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   22 and name C5'  )
        (resi   22 and name C4'  )
        (resi   22 and name C3'  )
        (resi   22 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   23 and name C5'  )
        (resi   23 and name C4'  )
        (resi   23 and name C3'  )
        (resi   23 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   24 and name C5'  )
        (resi   24 and name C4'  )
        (resi   24 and name C3'  )
        (resi   24 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   25 and name C5'  )
        (resi   25 and name C4'  )
        (resi   25 and name C3'  )
        (resi   25 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   26 and name C5'  )
        (resi   26 and name C4'  )
        (resi   26 and name C3'  )
        (resi   26 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   27 and name C5'  )
        (resi   27 and name C4'  )
        (resi   27 and name C3'  )
        (resi   27 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   28 and name C5'  )
        (resi   28 and name C4'  )
        (resi   28 and name C3'  )
        (resi   28 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   29 and name C5'  )
        (resi   29 and name C4'  )
        (resi   29 and name C3'  )
        (resi   29 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   30 and name C5'  )
        (resi   30 and name C4'  )
        (resi   30 and name C3'  )
        (resi   30 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   31 and name C5'  )
        (resi   31 and name C4'  )
        (resi   31 and name C3'  )
        (resi   31 and name O3'  )   3.0    85.0      30.0  2 !S-type

assign  (resi   32 and name C5'  )
        (resi   32 and name C4'  )
        (resi   32 and name C3'  )
        (resi   32 and name O3'  )   3.0    85.0      30.0  2 !S-type 

assign  (resi   33 and name C5'  )
        (resi   33 and name C4'  )
        (resi   33 and name C3'  )
        (resi   33 and name O3'  )   3.0    85.0      30.0  2 !S-type 

assign  (resi   34 and name C5'  )
        (resi   34 and name C4'  )
        (resi   34 and name C3'  )
        (resi   34 and name O3'  )   3.0    85.0      30.0  2 !S-type  

! alpha
 assign (resi   1 and name O3'  )                        
        (resi   2 and name P    )                        
        (resi   2 and name O5'  )                        
        (resi   2 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi   2 and name O3'  )                        
        (resi   3 and name P    )                        
        (resi   3 and name O5'  )                        
        (resi   3 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi   3 and name O3'  ) 
        (resi   4 and name P    )                        
        (resi   4 and name O5'  )                        
        (resi   4 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi   4 and name O3'  )                        
        (resi   5 and name P    )                        
        (resi   5 and name O5'  )                        
        (resi   5 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi   5 and name O3'  )                        
        (resi   6 and name P    )                        
        (resi   6 and name O5'  )                        
        (resi   6 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi   6 and name O3'  )                        
        (resi   7 and name P    )                        
        (resi   7 and name O5'  )                        
        (resi   7 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi   7 and name O3'  )                        
        (resi   8 and name P    )                        
        (resi   8 and name O5'  )                        
        (resi   8 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi   8 and name O3'  )                        
        (resi   9 and name P    )                        
        (resi   9 and name O5'  )                        
        (resi   9 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi   9 and name O3'  )                        
        (resi  10 and name P    )                        
        (resi  10 and name O5'  )                        
        (resi  10 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  10 and name O3'  )                        
        (resi  11 and name P    )                        
        (resi  11 and name O5'  )                        
        (resi  11 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  11 and name O3'  )                        
        (resi  12 and name P    )                        
        (resi  12 and name O5'  )                        
        (resi  12 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  12 and name O3'  )                        
        (resi  13 and name P    )                        
        (resi  13 and name O5'  )                        
        (resi  13 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  13 and name O3'  )                        
        (resi  14 and name P    )                        
        (resi  14 and name O5'  )                        
        (resi  14 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  14 and name O3'  )                        
        (resi  15 and name P    )                        
        (resi  15 and name O5'  )                        
        (resi  15 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  15 and name O3'  )                        
        (resi  16 and name P    )                        
        (resi  16 and name O5'  )                        
        (resi  16 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  16 and name O3'  )                        
        (resi  17 and name P    )                        
        (resi  17 and name O5'  )                        
        (resi  17 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  17 and name O3'  )                        
        (resi  18 and name P    )                        
        (resi  18 and name O5'  )                        
        (resi  18 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  18 and name O3'  )                        
        (resi  19 and name P    )                        
        (resi  19 and name O5'  )                        
        (resi  19 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  19 and name O3'  )                        
        (resi  20 and name P    )                        
        (resi  20 and name O5'  )                        
        (resi  20 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  20 and name O3'  )                        
        (resi  21 and name P    )                        
        (resi  21 and name O5'  )                        
        (resi  21 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  21 and name O3'  )                        
        (resi  22 and name P    )                        
        (resi  22 and name O5'  )                        
        (resi  22 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  22 and name O3'  )                        
        (resi  23 and name P    )                        
        (resi  23 and name O5'  )                        
        (resi  23 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  23 and name O3'  )                        
        (resi  24 and name P    )                        
        (resi  24 and name O5'  )                        
        (resi  24 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  24 and name O3'  )                        
        (resi  25 and name P    )                        
        (resi  25 and name O5'  )                        
        (resi  25 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  25 and name O3'  )                        
        (resi  26 and name P    )                        
        (resi  26 and name O5'  )                        
        (resi  26 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  27 and name O3'  )                        
        (resi  28 and name P    )                        
        (resi  28 and name O5'  )                        
        (resi  28 and name C5'  )   3.0       0   120.0  2 {*alpha*}

 assign (resi  28 and name O3'  )                        
        (resi  29 and name P    )                        
        (resi  29 and name O5'  )                        
        (resi  29 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  29 and name O3'  )                        
        (resi  30 and name P    )                        
        (resi  30 and name O5'  )                        
        (resi  30 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  30 and name O3'  )                        
        (resi  31 and name P    )                        
        (resi  31 and name O5'  )                        
        (resi  31 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  31 and name O3'  )                        
        (resi  32 and name P    )                        
        (resi  32 and name O5'  )                        
        (resi  32 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  32 and name O3'  )                        
        (resi  33 and name P    )                        
        (resi  33 and name O5'  )                        
        (resi  33 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

 assign (resi  33 and name O3'  )                        
        (resi  34 and name P    )                        
        (resi  34 and name O5'  )                        
        (resi  34 and name C5'  )   3.0   -62.1    30.0  2 {*alpha*}

! beta
 assign (resi   2 and name P    )                        
        (resi   2 and name O5'  )                        
        (resi   2 and name C5'  )                        
        (resi   2 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi   3 and name P    )                        
        (resi   3 and name O5'  )                        
        (resi   3 and name C5'  )                        
        (resi   3 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi   4 and name P    )                        
        (resi   4 and name O5'  )                        
        (resi   4 and name C5'  )                        
        (resi   4 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi   5 and name P    )                        
        (resi   5 and name O5'  )                        
        (resi   5 and name C5'  )                        
        (resi   5 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi   6 and name P    )                        
        (resi   6 and name O5'  )                        
        (resi   6 and name C5'  )                        
        (resi   6 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  12 and name P    )                        
        (resi  12 and name O5'  )                        
        (resi  12 and name C5'  )                        
        (resi  12 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  13 and name P    )                        
        (resi  13 and name O5'  )                        
        (resi  13 and name C5'  )                        
        (resi  13 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  14 and name P    )                        
        (resi  14 and name O5'  )                        
        (resi  14 and name C5'  )                        
        (resi  14 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  15 and name P    )                        
        (resi  15 and name O5'  )                        
        (resi  15 and name C5'  )                        
        (resi  15 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  20 and name P    )                        
        (resi  20 and name O5'  )                        
        (resi  20 and name C5'  )                        
        (resi  20 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  21 and name P    )                        
        (resi  21 and name O5'  )                        
        (resi  21 and name C5'  )                        
        (resi  21 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  22 and name P    )                        
        (resi  22 and name O5'  )                        
        (resi  22 and name C5'  )                        
        (resi  22 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  23 and name P    )                        
        (resi  23 and name O5'  )                        
        (resi  23 and name C5'  )                        
        (resi  23 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  29 and name P    )                        
        (resi  29 and name O5'  )                        
        (resi  29 and name C5'  )                        
        (resi  29 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  30 and name P    )                        
        (resi  30 and name O5'  )                        
        (resi  30 and name C5'  )                        
        (resi  30 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  31 and name P    )                        
        (resi  31 and name O5'  )                        
        (resi  31 and name C5'  )                        
        (resi  31 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  32 and name P    )                        
        (resi  32 and name O5'  )                        
        (resi  32 and name C5'  )                        
        (resi  32 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  33 and name P    )                        
        (resi  33 and name O5'  )                        
        (resi  33 and name C5'  )                        
        (resi  33 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

 assign (resi  34 and name P    )                        
        (resi  34 and name O5'  )                        
        (resi  34 and name C5'  )                        
        (resi  34 and name C4'  )   3.0   -179.9   30.0  2 {*beta*}

! gamma
 assign (resi   1 and name O5'  )                        
        (resi   1 and name C5'  )                        
        (resi   1 and name C4'  )                        
        (resi   1 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   2 and name O5'  )                        
        (resi   2 and name C5'  )                        
        (resi   2 and name C4'  )                        
        (resi   2 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   3 and name O5'  )                        
        (resi   3 and name C5'  )                        
        (resi   3 and name C4'  )                        
        (resi   3 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   4 and name O5'  )                        
        (resi   4 and name C5'  )                        
        (resi   4 and name C4'  )                        
        (resi   4 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   5 and name O5'  )                        
        (resi   5 and name C5'  )                        
        (resi   5 and name C4'  )                        
        (resi   5 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   5 and name O5'  )                        
        (resi   5 and name C5'  )                        
        (resi   5 and name C4'  )                        
        (resi   5 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   6 and name O5'  )                        
        (resi   6 and name C5'  )                        
        (resi   6 and name C4'  )                        
        (resi   6 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   7 and name O5'  )                        
        (resi   7 and name C5'  )                        
        (resi   7 and name C4'  )                        
        (resi   7 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   8 and name O5'  )                        
        (resi   8 and name C5'  )                        
        (resi   8 and name C4'  )                        
        (resi   8 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi   9 and name O5'  )                        
        (resi   9 and name C5'  )                        
        (resi   9 and name C4'  )                        
        (resi   9 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  10 and name O5'  )                        
        (resi  10 and name C5'  )                        
        (resi  10 and name C4'  )                        
        (resi  10 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  11 and name O5'  )                        
        (resi  11 and name C5'  )                        
        (resi  11 and name C4'  )                        
        (resi  11 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  12 and name O5'  )                        
        (resi  12 and name C5'  )                        
        (resi  12 and name C4'  )                        
        (resi  12 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  13 and name O5'  )                        
        (resi  13 and name C5'  )                        
        (resi  13 and name C4'  )                        
        (resi  13 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  14 and name O5'  )                        
        (resi  14 and name C5'  )                        
        (resi  14 and name C4'  )                        
        (resi  14 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  15 and name O5'  )                        
        (resi  15 and name C5'  )                        
        (resi  15 and name C4'  )                        
        (resi  15 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  20 and name O5'  )                        
        (resi  20 and name C5'  )                        
        (resi  20 and name C4'  )                        
        (resi  20 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  21 and name O5'  )                        
        (resi  21 and name C5'  )                        
        (resi  21 and name C4'  )                        
        (resi  21 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  22 and name O5'  )                        
        (resi  22 and name C5'  )                        
        (resi  22 and name C4'  )                        
        (resi  22 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  23 and name O5'  )                        
        (resi  23 and name C5'  )                        
        (resi  23 and name C4'  )                        
        (resi  23 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  24 and name O5'  )                        
        (resi  24 and name C5'  )                        
        (resi  24 and name C4'  )                        
        (resi  24 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  25 and name O5'  )                        
        (resi  25 and name C5'  )                        
        (resi  25 and name C4'  )                        
        (resi  25 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  26 and name O5'  )                        
        (resi  26 and name C5'  )                        
        (resi  26 and name C4'  )                        
        (resi  26 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  27 and name O5'  )                        
        (resi  27 and name C5'  )                        
        (resi  27 and name C4'  )                        
        (resi  27 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  28 and name O5'  )                        
        (resi  28 and name C5'  )                        
        (resi  28 and name C4'  )                        
        (resi  28 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  29 and name O5'  )                        
        (resi  29 and name C5'  )                        
        (resi  29 and name C4'  )                        
        (resi  29 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  30 and name O5'  )                        
        (resi  30 and name C5'  )                        
        (resi  30 and name C4'  )                        
        (resi  30 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  31 and name O5'  )                        
        (resi  31 and name C5'  )                        
        (resi  31 and name C4'  )                        
        (resi  31 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  32 and name O5'  )                        
        (resi  32 and name C5'  )                        
        (resi  32 and name C4'  )                        
        (resi  32 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  33 and name O5'  )                        
        (resi  33 and name C5'  )                        
        (resi  33 and name C4'  )                        
        (resi  33 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

 assign (resi  34 and name O5'  )                        
        (resi  34 and name C5'  )                        
        (resi  34 and name C4'  )                        
        (resi  34 and name C3'  )   3.0    54.0    30.0  2 {*gamma*}

! zeta
 assign (resi   1 and name C3'  )                        
        (resi   1 and name O3'  )                        
        (resi   2 and name P    )                        
        (resi   2 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi   2 and name C3'  )                        
        (resi   2 and name O3'  )                        
        (resi   3 and name P    )                        
        (resi   3 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi   3 and name C3'  )                        
        (resi   3 and name O3'  )                        
        (resi   4 and name P    )                        
        (resi   4 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi   4 and name C3'  )                        
        (resi   4 and name O3'  )                        
        (resi   5 and name P    )                        
        (resi   5 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi   5 and name C3'  )                        
        (resi   5 and name O3'  )                        
        (resi   6 and name P    )                        
        (resi   6 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi   6 and name C3'  )                        
        (resi   6 and name O3'  )                        
        (resi   7 and name P    )                        
        (resi   7 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi   7 and name C3'  )                        
        (resi   7 and name O3'  )                        
        (resi   8 and name P    )                        
        (resi   8 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi   8 and name C3'  )                        
        (resi   8 and name O3'  )                        
        (resi   9 and name P    )                        
        (resi   9 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi   9 and name C3'  )                        
        (resi   9 and name O3'  )                        
        (resi  10 and name P    )                        
        (resi  10 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  10 and name C3'  )                        
        (resi  10 and name O3'  )                        
        (resi  11 and name P    )                        
        (resi  11 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  11 and name C3'  )                        
        (resi  11 and name O3'  )                        
        (resi  12 and name P    )                        
        (resi  12 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  12 and name C3'  )                        
        (resi  12 and name O3'  )                        
        (resi  13 and name P    )                        
        (resi  13 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  13 and name C3'  )                        
        (resi  13 and name O3'  )                        
        (resi  14 and name P    )                        
        (resi  14 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  14 and name C3'  )                        
        (resi  14 and name O3'  )                        
        (resi  15 and name P    )                        
        (resi  15 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  20 and name C3'  )                        
        (resi  20 and name O3'  )                        
        (resi  21 and name P    )                        
        (resi  21 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  21 and name C3'  )                        
        (resi  21 and name O3'  )                        
        (resi  22 and name P    )                        
        (resi  22 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  22 and name C3'  )                        
        (resi  22 and name O3'  )                        
        (resi  23 and name P    )                        
        (resi  23 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  23 and name C3'  )                        
        (resi  23 and name O3'  )                        
        (resi  24 and name P    )                        
        (resi  24 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  24 and name C3'  )                        
        (resi  24 and name O3'  )                        
        (resi  25 and name P    )                        
        (resi  25 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  25 and name C3'  )                        
        (resi  25 and name O3'  )                        
        (resi  26 and name P    )                        
        (resi  26 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  26 and name C3'  )                        
        (resi  26 and name O3'  )                        
        (resi  27 and name P    )                        
        (resi  27 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  27 and name C3'  )                        
        (resi  27 and name O3'  )                        
        (resi  28 and name P    )                        
        (resi  28 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  28 and name C3'  )                        
        (resi  28 and name O3'  )                        
        (resi  29 and name P    )                        
        (resi  29 and name O5'  )   3.0       0   120.0  2 {*zeta*}

 assign (resi  29 and name C3'  )                        
        (resi  29 and name O3'  )                        
        (resi  30 and name P    )                        
        (resi  30 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  30 and name C3'  )                        
        (resi  30 and name O3'  )                        
        (resi  31 and name P    )                        
        (resi  31 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  31 and name C3'  )                        
        (resi  31 and name O3'  )                        
        (resi  32 and name P    )                        
        (resi  32 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  32 and name C3'  )                        
        (resi  32 and name O3'  )                        
        (resi  33 and name P    )                        
        (resi  33 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

 assign (resi  33 and name C3'  )                        
        (resi  33 and name O3'  )                        
        (resi  34 and name P    )                        
        (resi  34 and name O5'  )   3.0   -73.6    30.0  2 {*zeta*}

! nu
 assign (resi   1 and name C1'  )                        
        (resi   1 and name C2'  )                        
        (resi   1 and name C3'  )                        
        (resi   1 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}
                                    
 assign (resi   2 and name C1'  )                        
        (resi   2 and name C2'  )                        
        (resi   2 and name C3'  )                        
        (resi   2 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}
                                    
 assign (resi   3 and name C1'  )                        
        (resi   3 and name C2'  )                        
        (resi   3 and name C3'  )                        
        (resi   3 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi   4 and name C1'  )                        
        (resi   4 and name C2'  )                        
        (resi   4 and name C3'  )                        
        (resi   4 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi   5 and name C1'  )                        
        (resi   5 and name C2'  )                        
        (resi   5 and name C3'  )                        
        (resi   5 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi   6 and name C1'  )                        
        (resi   6 and name C2'  )                        
        (resi   6 and name C3'  )                        
        (resi   6 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  12 and name C1'  )                        
        (resi  12 and name C2'  )                        
        (resi  12 and name C3'  )                        
        (resi  12 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  13 and name C1'  )                        
        (resi  13 and name C2'  )                        
        (resi  13 and name C3'  )                        
        (resi  13 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  14 and name C1'  )                        
        (resi  14 and name C2'  )                        
        (resi  14 and name C3'  )                        
        (resi  14 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  15 and name C1'  )                        
        (resi  15 and name C2'  )                        
        (resi  15 and name C3'  )                        
        (resi  15 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  20 and name C1'  )                        
        (resi  20 and name C2'  )                        
        (resi  20 and name C3'  )                        
        (resi  20 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  21 and name C1'  )                        
        (resi  21 and name C2'  )                        
        (resi  21 and name C3'  )                        
        (resi  21 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  22 and name C1'  )                        
        (resi  22 and name C2'  )                        
        (resi  22 and name C3'  )                        
        (resi  22 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}
                                    
 assign (resi  23 and name C1'  )                        
        (resi  23 and name C2'  )                        
        (resi  23 and name C3'  )                        
        (resi  23 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  29 and name C1'  )                        
        (resi  29 and name C2'  )                        
        (resi  29 and name C3'  )                        
        (resi  29 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  30 and name C1'  )                        
        (resi  30 and name C2'  )                        
        (resi  30 and name C3'  )                        
        (resi  30 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  31 and name C1'  )                        
        (resi  31 and name C2'  )                        
        (resi  31 and name C3'  )                        
        (resi  31 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}
 
 assign (resi  32 and name C1'  )                        
        (resi  32 and name C2'  )                        
        (resi  32 and name C3'  )                        
        (resi  32 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  33 and name C1'  )                        
        (resi  33 and name C2'  )                        
        (resi  33 and name C3'  )                        
        (resi  33 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}

 assign (resi  34 and name C1'  )                        
        (resi  34 and name C2'  )                        
        (resi  34 and name C3'  )                        
        (resi  34 and name C4'  )   3.0   37.27    30.0  2 {*nu2*}
                                                     

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -6.149 -28.639   5.020
    2   2H5*    G   1          2H5*        G   1  -7.324 -27.455   5.629
    3    H4*    G   1           H4*        G   1  -7.104 -28.968   7.416
    4    H3*    G   1           H3*        G   1  -5.477 -26.459   7.731
    5    H2*    G   1           H2*        G   1  -4.309 -27.268   9.617
    6   2HO*    G   1          2HO*        G   1  -6.460 -28.272  10.376
    7    H1*    G   1           H1*        G   1  -3.793 -29.773   8.806
    8    H8     G   1           H8         G   1  -3.795 -27.480   5.788
    9    H1     G   1           H1         G   1   1.665 -27.263   9.072
   10   1H2     G   1          1H2         G   1   1.446 -28.366  10.983
   11   2H2     G   1          2H2         G   1  -0.044 -29.155  11.448
   12    H5T    G   1           H5T        G   1  -5.037 -26.900   4.642
   13   1H5*    G   2          1H5*        G   2  -5.723 -27.347  11.711
   14   2H5*    G   2          2H5*        G   2  -7.144 -26.411  12.216
   15    H4*    G   2           H4*        G   2  -5.750 -25.800  13.929
   16    H3*    G   2           H3*        G   2  -5.055 -23.966  11.612
   17    H2*    G   2           H2*        G   2  -3.325 -23.002  12.916
   18   2HO*    G   2          2HO*        G   2  -3.455 -22.864  15.040
   19    H1*    G   2           H1*        G   2  -2.414 -25.309  14.095
   20    H8     G   2           H8         G   2  -3.327 -25.520  10.379
   21    H1     G   2           H1         G   2   2.686 -23.716  11.471
   22   1H2     G   2          1H2         G   2   2.997 -23.389  13.646
   23   2H2     G   2          2H2         G   2   1.722 -23.614  14.821
   24   1H5*    C   3          1H5*        C   3  -4.956 -21.236  14.857
   25   2H5*    C   3          2H5*        C   3  -5.313 -19.645  14.154
   26    H4*    C   3           H4*        C   3  -2.862 -20.228  14.962
   27    H3*    C   3           H3*        C   3  -3.722 -18.772  12.441
   28    H2*    C   3           H2*        C   3  -1.521 -18.712  11.693
   29   2HO*    C   3          2HO*        C   3  -0.202 -19.166  14.078
   30    H1*    C   3           H1*        C   3  -0.527 -20.894  13.315
   31   1H4     C   3          1H4         C   3   0.726 -22.038   7.154
   32   2H4     C   3          2H4         C   3  -0.860 -22.759   6.986
   33    H5     C   3           H5         C   3  -2.514 -22.730   8.740
   34    H6     C   3           H6         C   3  -3.002 -22.001  11.028
   35   1H5*    C   4          1H5*        C   4  -1.113 -16.689  15.602
   36   2H5*    C   4          2H5*        C   4  -1.367 -14.932  15.650
   37    H4*    C   4           H4*        C   4   1.030 -15.490  15.821
   38    H3*    C   4           H3*        C   4  -0.026 -13.996  13.412
   39    H2*    C   4           H2*        C   4   2.120 -13.969  12.418
   40   2HO*    C   4          2HO*        C   4   3.095 -14.807  14.971
   41    H1*    C   4           H1*        C   4   2.873 -16.509  12.978
   42   1H4     C   4          1H4         C   4   0.133 -16.641   7.224
   43   2H4     C   4          2H4         C   4  -1.442 -16.804   7.969
   44    H5     C   4           H5         C   4  -1.796 -16.696  10.347
   45    H6     C   4           H6         C   4  -0.717 -16.410  12.530
   46   1H5*    U   5          1H5*        U   5   3.833 -12.817  13.387
   47   2H5*    U   5          2H5*        U   5   3.791 -11.214  14.148
   48    H4*    U   5           H4*        U   5   5.084 -10.735  12.293
   49    H3*    U   5           H3*        U   5   2.172 -10.377  11.497
   50    H2*    U   5           H2*        U   5   2.853  -9.860   9.307
   51   2HO*    U   5          2HO*        U   5   5.160  -9.447   8.888
   52    H1*    U   5           H1*        U   5   4.972 -11.609   9.116
   53    H3     U   5           H3         U   5   2.219 -13.306   6.013
   54    H5     U   5           H5         U   5   0.075 -13.856   9.600
   55    H6     U   5           H6         U   5   1.832 -12.648  10.757
   56   1H5*    U   6          1H5*        U   6   4.838  -7.345  10.200
   57   2H5*    U   6          2H5*        U   6   4.100  -5.814   9.687
   58    H4*    U   6           H4*        U   6   5.263  -7.393   7.911
   59    H3*    U   6           H3*        U   6   2.665  -5.848   7.669
   60    H2*    U   6           H2*        U   6   2.221  -6.829   5.605
   61   2HO*    U   6          2HO*        U   6   4.402  -6.042   4.899
   62    H1*    U   6           H1*        U   6   3.842  -9.183   5.931
   63    H3     U   6           H3         U   6  -0.185 -10.373   4.102
   64    H5     U   6           H5         U   6  -0.963  -9.733   8.195
   65    H6     U   6           H6         U   6   1.285  -8.847   8.415
   66   1H5*    A   7          1H5*        A   7   6.679  -4.663   5.009
   67   2H5*    A   7          2H5*        A   7   6.265  -3.337   3.906
   68    H4*    A   7           H4*        A   7   7.551  -5.459   3.004
   69    H3*    A   7           H3*        A   7   5.293  -3.900   1.723
   70    H2*    A   7           H2*        A   7   5.205  -5.412  -0.083
   71   2HO*    A   7          2HO*        A   7   7.556  -5.408  -0.334
   72    H1*    A   7           H1*        A   7   5.678  -7.753   1.298
   73    H8     A   7           H8         A   7   3.235  -5.944   3.393
   74   1H6     A   7          1H6         A   7  -1.183  -7.412  -0.639
   75   2H6     A   7          2H6         A   7  -0.851  -6.769   0.954
   76    H2     A   7           H2         A   7   2.788  -8.367  -2.513
   77   1H5*    G   8          1H5*        G   8   7.784  -0.745  -1.374
   78   2H5*    G   8          2H5*        G   8   7.750  -0.334   0.353
   79    H4*    G   8           H4*        G   8   6.534   1.249  -1.311
   80    H3*    G   8           H3*        G   8   6.151   0.816   1.370
   81    H2*    G   8           H2*        G   8   4.489  -0.890   1.159
   82   2HO*    G   8          2HO*        G   8   3.584   0.969   2.284
   83    H1*    G   8           H1*        G   8   3.129   0.625  -1.072
   84    H8     G   8           H8         G   8   4.744  -2.873  -0.914
   85    H1     G   8           H1         G   8  -1.617  -2.924  -1.358
   86   1H2     G   8          1H2         G   8  -2.401  -0.851  -1.243
   87   2H2     G   8          2H2         G   8  -1.357   0.540  -1.057
   88   1H5*    G   9          1H5*        G   9   8.379   2.720   0.096
   89   2H5*    G   9          2H5*        G   9   8.792   4.402  -0.291
   90    H4*    G   9           H4*        G   9   9.535   2.833  -2.061
   91    H3*    G   9           H3*        G   9   7.591   5.058  -2.544
   92    H2*    G   9           H2*        G   9   6.942   4.318  -4.680
   93   2HO*    G   9          2HO*        G   9   9.315   2.722  -4.616
   94    H1*    G   9           H1*        G   9   6.915   1.631  -4.316
   95    H8     G   9           H8         G   9   5.724   4.161  -1.624
   96    H1     G   9           H1         G   9   1.061   1.463  -5.043
   97   1H2     G   9          1H2         G   9   1.933   0.132  -6.589
   98   2H2     G   9          2H2         G   9   3.658  -0.088  -6.776
   99   1H5*    A  10          1H5*        A  10   8.934   4.217  -6.594
  100   2H5*    A  10          2H5*        A  10   9.639   5.776  -7.066
  101    H4*    A  10           H4*        A  10   7.868   5.134  -8.639
  102    H3*    A  10           H3*        A  10   7.737   7.577  -6.971
  103    H2*    A  10           H2*        A  10   5.445   7.552  -6.700
  104   2HO*    A  10          2HO*        A  10   5.871   8.241  -9.189
  105    H1*    A  10           H1*        A  10   4.990   5.307  -8.630
  106    H8     A  10           H8         A  10   5.012   5.706  -4.781
  107   1H6     A  10          1H6         A  10  -0.997   4.410  -5.036
  108   2H6     A  10          2H6         A  10   0.351   4.760  -3.979
  109    H2     A  10           H2         A  10   0.586   4.503  -9.243
  110   1H5*    A  11          1H5*        A  11   6.997   8.096 -12.662
  111   2H5*    A  11          2H5*        A  11   6.336   9.639 -12.078
  112    H4*    A  11           H4*        A  11   5.180   8.346 -14.092
  113    H3*    A  11           H3*        A  11   3.881   9.812 -11.767
  114    H2*    A  11           H2*        A  11   1.735   9.211 -12.607
  115   2HO*    A  11          2HO*        A  11   2.143   7.793 -14.777
  116    H1*    A  11           H1*        A  11   2.289   6.615 -13.162
  117    H8     A  11           H8         A  11   4.200   7.329 -10.028
  118   1H6     A  11          1H6         A  11  -1.130   7.121  -6.924
  119   2H6     A  11          2H6         A  11   0.603   7.187  -6.763
  120    H2     A  11           H2         A  11  -2.067   7.125 -11.307
  121   1H5*    A  12          1H5*        A  12   0.980   9.839 -14.686
  122   2H5*    A  12          2H5*        A  12   0.866  11.535 -15.195
  123    H4*    A  12           H4*        A  12  -1.369  10.807 -14.685
  124    H3*    A  12           H3*        A  12  -0.061  12.601 -12.624
  125    H2*    A  12           H2*        A  12  -1.842  12.366 -11.175
  126   2HO*    A  12          2HO*        A  12  -3.496  11.574 -13.360
  127    H1*    A  12           H1*        A  12  -2.805   9.847 -11.995
  128    H8     A  12           H8         A  12   0.791  10.047 -10.828
  129   1H6     A  12          1H6         A  12  -1.325   9.177  -5.113
  130   2H6     A  12          2H6         A  12   0.108   9.262  -6.112
  131    H2     A  12           H2         A  12  -4.845   9.866  -7.819
  132   1H5*    C  13          1H5*        C  13  -4.011  14.881 -14.591
  133   2H5*    C  13          2H5*        C  13  -3.956  16.465 -13.790
  134    H4*    C  13           H4*        C  13  -6.083  14.939 -13.528
  135    H3*    C  13           H3*        C  13  -4.653  16.550 -11.392
  136    H2*    C  13           H2*        C  13  -6.199  15.763  -9.763
  137   2HO*    C  13          2HO*        C  13  -8.077  14.528 -10.465
  138    H1*    C  13           H1*        C  13  -6.275  13.161 -10.557
  139   1H4     C  13          1H4         C  13  -1.795  13.492  -6.063
  140   2H4     C  13          2H4         C  13  -0.589  13.753  -7.300
  141    H5     C  13           H5         C  13  -1.132  14.084  -9.618
  142    H6     C  13           H6         C  13  -2.940  14.233 -11.253
  143   1H5*    A  14          1H5*        A  14  -8.407  17.346 -10.246
  144   2H5*    A  14          2H5*        A  14  -8.702  19.093 -10.359
  145    H4*    A  14           H4*        A  14  -9.227  18.549  -8.113
  146    H3*    A  14           H3*        A  14  -6.405  19.657  -8.373
  147    H2*    A  14           H2*        A  14  -6.161  19.464  -6.031
  148   2HO*    A  14          2HO*        A  14  -7.809  19.707  -4.678
  149    H1*    A  14           H1*        A  14  -7.648  17.141  -5.695
  150    H8     A  14           H8         A  14  -5.038  17.017  -8.465
  151   1H6     A  14          1H6         A  14  -0.948  15.510  -4.118
  152   2H6     A  14          2H6         A  14  -1.211  15.692  -5.838
  153    H2     A  14           H2         A  14  -4.816  16.568  -2.091
  154   1H5*    G  15          1H5*        G  15  -9.223  21.230  -5.346
  155   2H5*    G  15          2H5*        G  15  -9.122  22.999  -5.231
  156    H4*    G  15           H4*        G  15  -9.252  21.984  -2.996
  157    H3*    G  15           H3*        G  15  -6.719  23.417  -3.842
  158    H2*    G  15           H2*        G  15  -5.711  22.930  -1.738
  159   2HO*    G  15          2HO*        G  15  -7.425  21.607  -0.302
  160    H1*    G  15           H1*        G  15  -6.473  20.330  -1.556
  161    H8     G  15           H8         G  15  -5.836  21.338  -5.157
  162    H1     G  15           H1         G  15  -0.561  19.624  -2.032
  163   1H2     G  15          1H2         G  15  -0.996  19.397   0.131
  164   2H2     G  15          2H2         G  15  -2.587  19.671   0.801
  165   1H5*    U  16          1H5*        U  16  -5.200  27.106  -1.565
  166   2H5*    U  16          2H5*        U  16  -5.024  25.689  -2.612
  167    H4*    U  16           H4*        U  16  -4.703  25.590   0.410
  168    H3*    U  16           H3*        U  16  -2.719  26.215  -1.798
  169    H2*    U  16           H2*        U  16  -1.068  24.913  -0.685
  170   2HO*    U  16          2HO*        U  16  -2.066  23.941   1.484
  171    H1*    U  16           H1*        U  16  -2.643  22.786  -0.087
  172    H3     U  16           H3         U  16   0.326  22.218  -3.653
  173    H5     U  16           H5         U  16  -3.427  23.233  -5.256
  174    H6     U  16           H6         U  16  -4.171  23.759  -3.034
  175   1H5*    U  17          1H5*        U  17   1.004  28.592  -0.303
  176   2H5*    U  17          2H5*        U  17   0.775  26.858  -0.016
  177    H4*    U  17           H4*        U  17   2.367  28.768   1.484
  178    H3*    U  17           H3*        U  17   2.725  26.197   0.752
  179    H2*    U  17           H2*        U  17   0.884  25.253   1.958
  180   2HO*    U  17          2HO*        U  17   1.936  24.625   4.141
  181    H1*    U  17           H1*        U  17   1.484  26.802   4.456
  182    H3     U  17           H3         U  17  -2.297  24.928   6.012
  183    H5     U  17           H5         U  17  -3.455  26.522   2.284
  184    H6     U  17           H6         U  17  -1.150  27.141   1.905
  185   1H5*    C  18          1H5*        C  18   5.546  23.908   1.920
  186   2H5*    C  18          2H5*        C  18   6.936  24.956   1.569
  187    H4*    C  18           H4*        C  18   6.821  22.781   0.242
  188    H3*    C  18           H3*        C  18   7.745  25.305  -0.530
  189    H2*    C  18           H2*        C  18   5.838  25.904  -1.827
  190   2HO*    C  18          2HO*        C  18   6.618  24.386  -3.950
  191    H1*    C  18           H1*        C  18   5.590  23.041  -2.783
  192   1H4     C  18          1H4         C  18   0.382  25.900  -5.136
  193   2H4     C  18          2H4         C  18  -0.296  25.945  -3.525
  194    H5     C  18           H5         C  18   0.926  25.292  -1.557
  195    H6     C  18           H6         C  18   3.064  24.449  -0.708
  196   1H5*    G  19          1H5*        G  19   8.188  19.792  -1.665
  197   2H5*    G  19          2H5*        G  19   7.303  21.275  -1.257
  198    H4*    G  19           H4*        G  19   8.904  19.721   0.805
  199    H3*    G  19           H3*        G  19   6.033  19.334  -0.134
  200    H2*    G  19           H2*        G  19   5.439  18.867   2.107
  201   2HO*    G  19          2HO*        G  19   7.045  18.385   3.691
  202    H1*    G  19           H1*        G  19   7.166  20.703   3.309
  203    H8     G  19           H8         G  19   5.203  21.885   4.419
  204    H1     G  19           H1         G  19   1.783  22.176  -0.955
  205   1H2     G  19          1H2         G  19   2.916  21.229  -2.618
  206   2H2     G  19          2H2         G  19   4.505  20.534  -2.395
  207   1H5*    C  20          1H5*        C  20   6.547  16.681   2.298
  208   2H5*    C  20          2H5*        C  20   5.686  15.137   2.130
  209    H4*    C  20           H4*        C  20   4.800  16.595   3.973
  210    H3*    C  20           H3*        C  20   3.102  15.646   1.659
  211    H2*    C  20           H2*        C  20   1.222  16.861   2.459
  212   2HO*    C  20          2HO*        C  20   1.243  17.837   4.545
  213    H1*    C  20           H1*        C  20   2.466  19.184   3.010
  214   1H4     C  20          1H4         C  20   0.775  19.287  -3.174
  215   2H4     C  20          2H4         C  20   2.390  18.748  -3.581
  216    H5     C  20           H5         C  20   4.017  18.092  -1.954
  217    H6     C  20           H6         C  20   4.481  17.826   0.432
  218   1H5*    U  21          1H5*        U  21   0.973  15.419   4.491
  219   2H5*    U  21          2H5*        U  21   0.690  13.974   5.483
  220    H4*    U  21           H4*        U  21  -1.461  14.773   5.429
  221    H3*    U  21           H3*        U  21  -1.061  13.087   2.944
  222    H2*    U  21           H2*        U  21  -3.243  13.666   2.176
  223   2HO*    U  21          2HO*        U  21  -3.627  14.189   4.879
  224    H1*    U  21           H1*        U  21  -3.114  16.319   2.700
  225    H3     U  21           H3         U  21  -2.531  15.975  -1.783
  226    H5     U  21           H5         U  21   1.223  14.940  -0.175
  227    H6     U  21           H6         U  21   0.209  14.982   2.034
  228   1H5*    G  22          1H5*        G  22  -4.456  12.577   4.109
  229   2H5*    G  22          2H5*        G  22  -5.294  11.023   4.271
  230    H4*    G  22           H4*        G  22  -6.502  12.331   2.649
  231    H3*    G  22           H3*        G  22  -4.785  10.110   1.481
  232    H2*    G  22           H2*        G  22  -5.490  10.719  -0.663
  233   2HO*    G  22          2HO*        G  22  -7.508  12.337  -0.498
  234    H1*    G  22           H1*        G  22  -5.982  13.450  -0.155
  235    H8     G  22           H8         G  22  -2.459  12.400   0.573
  236    H1     G  22           H1         G  22  -3.503  13.294  -5.647
  237   1H2     G  22          1H2         G  22  -5.675  13.520  -6.027
  238   2H2     G  22          2H2         G  22  -6.865  13.450  -4.746
  239   1H5*    U  23          1H5*        U  23  -8.343  10.434   0.248
  240   2H5*    U  23          2H5*        U  23  -9.665   9.293   0.566
  241    H4*    U  23           H4*        U  23 -10.196   9.871  -1.598
  242    H3*    U  23           H3*        U  23  -8.161   7.615  -1.792
  243    H2*    U  23           H2*        U  23  -8.447   7.714  -4.177
  244   2HO*    U  23          2HO*        U  23 -10.057   8.979  -5.122
  245    H1*    U  23           H1*        U  23  -8.184  10.422  -4.340
  246    H3     U  23           H3         U  23  -4.064   9.009  -5.643
  247    H5     U  23           H5         U  23  -4.074   8.461  -1.461
  248    H6     U  23           H6         U  23  -6.430   9.032  -1.448
  249   1H5*    G  24          1H5*        G  24 -11.556   5.655  -3.728
  250   2H5*    G  24          2H5*        G  24 -11.012   3.991  -4.013
  251    H4*    G  24           H4*        G  24 -10.910   5.786  -5.947
  252    H3*    G  24           H3*        G  24  -8.684   3.817  -5.245
  253    H2*    G  24           H2*        G  24  -7.617   4.574  -7.235
  254   2HO*    G  24          2HO*        G  24  -8.788   5.070  -8.924
  255    H1*    G  24           H1*        G  24  -8.386   7.252  -6.935
  256    H8     G  24           H8         G  24  -7.001   6.201  -3.663
  257    H1     G  24           H1         G  24  -2.435   6.879  -8.040
  258   1H2     G  24          1H2         G  24  -3.328   7.035 -10.061
  259   2H2     G  24          2H2         G  24  -5.055   6.968 -10.328
  260   1H5*    C  25          1H5*        C  25  -9.095   2.512  -9.283
  261   2H5*    C  25          2H5*        C  25  -8.365   0.898  -9.212
  262    H4*    C  25           H4*        C  25  -7.049   2.919 -10.301
  263    H3*    C  25           H3*        C  25  -5.928   0.791  -8.425
  264    H2*    C  25           H2*        C  25  -3.829   1.829  -8.598
  265   2HO*    C  25          2HO*        C  25  -4.650   2.148 -11.155
  266    H1*    C  25           H1*        C  25  -4.800   4.462  -9.163
  267   1H4     C  25          1H4         C  25  -1.545   4.520  -3.677
  268   2H4     C  25          2H4         C  25  -3.037   4.205  -2.820
  269    H5     C  25           H5         C  25  -5.116   3.701  -3.937
  270    H6     C  25           H6         C  25  -6.200   3.387  -6.113
  271   1H5*    C  26          1H5*        C  26  -4.338  -1.037 -11.921
  272   2H5*    C  26          2H5*        C  26  -4.813  -2.745 -12.034
  273    H4*    C  26           H4*        C  26  -2.529  -2.799 -11.393
  274    H3*    C  26           H3*        C  26  -4.451  -3.207  -9.095
  275    H2*    C  26           H2*        C  26  -2.755  -2.993  -7.528
  276   2HO*    C  26          2HO*        C  26  -0.503  -3.670  -8.752
  277    H1*    C  26           H1*        C  26  -0.752  -1.867  -9.326
  278   1H4     C  26          1H4         C  26  -0.651   2.088  -4.371
  279   2H4     C  26          2H4         C  26  -2.391   2.261  -4.401
  280    H5     C  26           H5         C  26  -3.808   1.093  -5.962
  281    H6     C  26           H6         C  26  -3.860  -0.494  -7.829
  282   1H5*    G  27          1H5*        G  27  -3.224  -5.414  -7.596
  283   2H5*    G  27          2H5*        G  27  -3.852  -7.073  -7.562
  284    H4*    G  27           H4*        G  27  -4.395  -6.496  -5.411
  285    H3*    G  27           H3*        G  27  -6.633  -5.466  -7.169
  286    H2*    G  27           H2*        G  27  -7.557  -4.248  -5.415
  287   2HO*    G  27          2HO*        G  27  -7.075  -4.918  -3.174
  288    H1*    G  27           H1*        G  27  -5.208  -3.939  -3.819
  289    H8     G  27           H8         G  27  -4.778  -2.302  -7.130
  290    H1     G  27           H1         G  27  -8.468   1.150  -3.240
  291   1H2     G  27          1H2         G  27  -9.053  -0.062  -1.477
  292   2H2     G  27          2H2         G  27  -8.534  -1.720  -1.261
  293   1H5*    A  28          1H5*        A  28  -5.677  -8.078  -8.211
  294   2H5*    A  28          2H5*        A  28  -5.768  -9.801  -8.619
  295    H4*    A  28           H4*        A  28  -3.809  -9.556  -7.277
  296    H3*    A  28           H3*        A  28  -6.198 -10.667  -5.767
  297    H2*    A  28           H2*        A  28  -4.907 -10.793  -3.807
  298   2HO*    A  28          2HO*        A  28  -3.069 -11.794  -4.290
  299    H1*    A  28           H1*        A  28  -3.292  -8.544  -4.255
  300    H8     A  28           H8         A  28  -7.156  -8.642  -4.452
  301   1H6     A  28          1H6         A  28  -7.064  -6.326   1.257
  302   2H6     A  28          2H6         A  28  -8.086  -6.812  -0.077
  303    H2     A  28           H2         A  28  -2.818  -7.080  -0.017
  304   1H5*    A  29          1H5*        A  29  -2.023 -12.581  -6.362
  305   2H5*    A  29          2H5*        A  29  -1.965 -14.317  -5.999
  306    H4*    A  29           H4*        A  29  -0.088 -12.697  -5.075
  307    H3*    A  29           H3*        A  29  -1.493 -14.974  -3.639
  308    H2*    A  29           H2*        A  29  -0.369 -14.454  -1.666
  309   2HO*    A  29          2HO*        A  29   1.642 -12.968  -2.993
  310    H1*    A  29           H1*        A  29   0.180 -11.693  -2.256
  311    H8     A  29           H8         A  29  -3.346 -13.185  -1.825
  312   1H6     A  29          1H6         A  29  -2.981 -11.328   4.036
  313   2H6     A  29          2H6         A  29  -4.014 -12.052   2.824
  314    H2     A  29           H2         A  29   0.971 -10.504   2.062
  315   1H5*    A  30          1H5*        A  30   3.480 -15.271  -4.629
  316   2H5*    A  30          2H5*        A  30   4.041 -16.685  -3.715
  317    H4*    A  30           H4*        A  30   5.254 -14.357  -3.435
  318    H3*    A  30           H3*        A  30   4.533 -16.398  -1.314
  319    H2*    A  30           H2*        A  30   5.369 -14.976   0.383
  320   2HO*    A  30          2HO*        A  30   6.399 -13.166  -1.554
  321    H1*    A  30           H1*        A  30   4.388 -12.610  -0.553
  322    H8     A  30           H8         A  30   1.700 -15.115  -1.185
  323   1H6     A  30          1H6         A  30   0.214 -14.780   4.785
  324   2H6     A  30          2H6         A  30  -0.280 -15.375   3.216
  325    H2     A  30           H2         A  30   4.131 -12.655   4.200
  326   1H5*    G  31          1H5*        G  31   7.681 -15.096   0.089
  327   2H5*    G  31          2H5*        G  31   9.115 -16.089  -0.242
  328    H4*    G  31           H4*        G  31   9.520 -15.694   1.979
  329    H3*    G  31           H3*        G  31   7.591 -18.032   1.881
  330    H2*    G  31           H2*        G  31   7.372 -17.992   4.211
  331   2HO*    G  31          2HO*        G  31   9.533 -16.282   4.706
  332    H1*    G  31           H1*        G  31   7.805 -15.229   4.618
  333    H8     G  31           H8         G  31   5.058 -16.180   2.166
  334    H1     G  31           H1         G  31   3.150 -16.172   8.251
  335   1H2     G  31          1H2         G  31   4.900 -15.916   9.593
  336   2H2     G  31          2H2         G  31   6.532 -15.749   8.987
  337   1H5*    G  32          1H5*        G  32  11.118 -18.547   4.713
  338   2H5*    G  32          2H5*        G  32  11.288 -20.256   5.160
  339    H4*    G  32           H4*        G  32  10.733 -18.449   7.005
  340    H3*    G  32           H3*        G  32   9.590 -21.236   6.661
  341    H2*    G  32           H2*        G  32   8.094 -20.894   8.403
  342   2HO*    G  32          2HO*        G  32   8.483 -19.158   9.967
  343    H1*    G  32           H1*        G  32   7.709 -18.149   8.166
  344    H8     G  32           H8         G  32   7.107 -20.050   4.960
  345    H1     G  32           H1         G  32   2.208 -20.453   9.023
  346   1H2     G  32          1H2         G  32   2.783 -19.606  10.990
  347   2H2     G  32          2H2         G  32   4.371 -18.941  11.300
  348   1H5*    U  33          1H5*        U  33   9.705 -20.294  10.695
  349   2H5*    U  33          2H5*        U  33  11.162 -21.109  11.298
  350    H4*    U  33           H4*        U  33   9.764 -21.484  13.088
  351    H3*    U  33           H3*        U  33   9.457 -23.745  11.114
  352    H2*    U  33           H2*        U  33   7.599 -24.641  12.253
  353   2HO*    U  33          2HO*        U  33   8.876 -23.731  14.388
  354    H1*    U  33           H1*        U  33   6.291 -22.353  12.879
  355    H3     U  33           H3         U  33   3.694 -23.816   9.523
  356    H5     U  33           H5         U  33   7.348 -22.972   7.603
  357    H6     U  33           H6         U  33   8.298 -22.458   9.774
  358   1H5*    C  34          1H5*        C  34   8.230 -25.412  14.490
  359   2H5*    C  34          2H5*        C  34   9.437 -26.598  15.026
  360    H4*    C  34           H4*        C  34   7.570 -27.942  15.111
  361    H3*    C  34           H3*        C  34   8.509 -27.990  12.227
  362    H2*    C  34           H2*        C  34   6.729 -29.395  11.676
  363   2HO*    C  34          2HO*        C  34   5.607 -30.608  13.216
  364    H1*    C  34           H1*        C  34   4.867 -28.288  13.463
  365   1H4     C  34          1H4         C  34   3.071 -26.074   7.799
  366   2H4     C  34          2H4         C  34   4.646 -25.369   7.508
  367    H5     C  34           H5         C  34   6.485 -25.564   9.053
  368    H6     C  34           H6         C  34   7.213 -26.479  11.204
  369    H3T    C  34           H3T        C  34   9.723 -29.009  13.979
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  -6.429 -25.730   1.607
    2   2H5*    G   1          2H5*        G   1  -6.377 -24.308   2.668
    3    H4*    G   1           H4*        G   1  -7.518 -26.319   3.679
    4    H3*    G   1           H3*        G   1  -5.192 -24.860   4.908
    5    H2*    G   1           H2*        G   1  -4.933 -26.455   6.643
    6   2HO*    G   1          2HO*        G   1  -6.544 -28.086   6.994
    7    H1*    G   1           H1*        G   1  -5.165 -28.704   5.207
    8    H8     G   1           H8         G   1  -3.507 -26.888   2.592
    9    H1     G   1           H1         G   1   0.402 -27.319   7.614
   10   1H2     G   1          1H2         G   1  -0.743 -27.922   9.415
   11   2H2     G   1          2H2         G   1  -2.466 -28.216   9.380
   12    H5T    G   1           H5T        G   1  -4.215 -25.305   3.286
   13   1H5*    G   2          1H5*        G   2  -6.671 -25.897   8.006
   14   2H5*    G   2          2H5*        G   2  -7.576 -24.686   8.936
   15    H4*    G   2           H4*        G   2  -6.161 -25.632  10.552
   16    H3*    G   2           H3*        G   2  -4.930 -23.120   9.376
   17    H2*    G   2           H2*        G   2  -3.024 -23.416  10.742
   18   2HO*    G   2          2HO*        G   2  -3.133 -25.078  12.473
   19    H1*    G   2           H1*        G   2  -2.880 -26.178  10.623
   20    H8     G   2           H8         G   2  -3.445 -24.973   7.147
   21    H1     G   2           H1         G   2   2.541 -23.953   9.079
   22   1H2     G   2          1H2         G   2   2.697 -24.267  11.268
   23   2H2     G   2          2H2         G   2   1.325 -24.728  12.251
   24   1H5*    C   3          1H5*        C   3  -4.130 -22.681  12.816
   25   2H5*    C   3          2H5*        C   3  -4.612 -21.251  13.751
   26    H4*    C   3           H4*        C   3  -2.222 -21.313  13.823
   27    H3*    C   3           H3*        C   3  -3.453 -19.271  11.988
   28    H2*    C   3           H2*        C   3  -1.505 -18.964  10.794
   29   2HO*    C   3          2HO*        C   3  -0.086 -19.238  13.260
   30    H1*    C   3           H1*        C   3   0.036 -21.111  12.127
   31   1H4     C   3          1H4         C   3   1.732 -21.285   5.990
   32   2H4     C   3          2H4         C   3   0.145 -21.879   5.554
   33    H5     C   3           H5         C   3  -1.659 -22.100   7.131
   34    H6     C   3           H6         C   3  -2.336 -21.805   9.468
   35   1H5*    C   4          1H5*        C   4  -0.175 -17.747  15.466
   36   2H5*    C   4          2H5*        C   4  -0.867 -16.142  15.773
   37    H4*    C   4           H4*        C   4   1.588 -16.042  15.803
   38    H3*    C   4           H3*        C   4   0.041 -14.617  13.635
   39    H2*    C   4           H2*        C   4   1.999 -13.983  12.525
   40   2HO*    C   4          2HO*        C   4   3.607 -14.814  14.711
   41    H1*    C   4           H1*        C   4   3.500 -16.203  12.866
   42   1H4     C   4          1H4         C   4   0.898 -16.838   7.112
   43   2H4     C   4          2H4         C   4  -0.695 -17.041   7.803
   44    H5     C   4           H5         C   4  -1.139 -16.892  10.167
   45    H6     C   4           H6         C   4  -0.149 -16.523  12.379
   46   1H5*    U   5          1H5*        U   5   3.647 -12.045  15.143
   47   2H5*    U   5          2H5*        U   5   3.006 -10.395  15.012
   48    H4*    U   5           H4*        U   5   5.194 -10.856  13.769
   49    H3*    U   5           H3*        U   5   2.704  -9.685  12.495
   50    H2*    U   5           H2*        U   5   3.816  -9.552  10.408
   51   2HO*    U   5          2HO*        U   5   6.294 -10.400  10.885
   52    H1*    U   5           H1*        U   5   5.129 -11.957  10.512
   53    H3     U   5           H3         U   5   1.974 -12.536   7.334
   54    H5     U   5           H5         U   5  -0.205 -12.543  10.939
   55    H6     U   5           H6         U   5   1.839 -11.948  12.099
   56   1H5*    U   6          1H5*        U   6   5.873  -8.065  10.820
   57   2H5*    U   6          2H5*        U   6   5.859  -6.292  10.742
   58    H4*    U   6           H4*        U   6   6.181  -7.281   8.500
   59    H3*    U   6           H3*        U   6   3.652  -5.734   9.118
   60    H2*    U   6           H2*        U   6   2.703  -6.354   7.097
   61   2HO*    U   6          2HO*        U   6   5.380  -6.203   6.128
   62    H1*    U   6           H1*        U   6   4.596  -8.502   6.476
   63    H3     U   6           H3         U   6   0.687  -9.990   4.724
   64    H5     U   6           H5         U   6   0.008  -9.934   8.884
   65    H6     U   6           H6         U   6   2.158  -8.840   9.154
   66   1H5*    A   7          1H5*        A   7   7.143  -3.589   6.447
   67   2H5*    A   7          2H5*        A   7   6.623  -2.246   5.408
   68    H4*    A   7           H4*        A   7   7.800  -4.363   4.354
   69    H3*    A   7           H3*        A   7   5.407  -2.811   3.322
   70    H2*    A   7           H2*        A   7   5.194  -4.301   1.506
   71   2HO*    A   7          2HO*        A   7   7.325  -5.915   1.723
   72    H1*    A   7           H1*        A   7   5.884  -6.643   2.820
   73    H8     A   7           H8         A   7   3.471  -4.773   4.977
   74   1H6     A   7          1H6         A   7  -1.071  -6.830   1.362
   75   2H6     A   7          2H6         A   7  -0.691  -6.016   2.864
   76    H2     A   7           H2         A   7   2.839  -7.789  -0.630
   77   1H5*    G   8          1H5*        G   8   7.697   0.457   0.280
   78   2H5*    G   8          2H5*        G   8   7.418   0.957   1.960
   79    H4*    G   8           H4*        G   8   6.299   2.318   0.027
   80    H3*    G   8           H3*        G   8   5.687   2.098   2.691
   81    H2*    G   8           H2*        G   8   4.171   0.258   2.487
   82   2HO*    G   8          2HO*        G   8   3.069   2.203   3.323
   83    H1*    G   8           H1*        G   8   2.936   1.485   0.018
   84    H8     G   8           H8         G   8   4.723  -1.870   0.680
   85    H1     G   8           H1         G   8  -1.528  -2.383  -0.472
   86   1H2     G   8          1H2         G   8  -2.436  -0.367  -0.645
   87   2H2     G   8          2H2         G   8  -1.500   1.102  -0.477
   88   1H5*    G   9          1H5*        G   9   7.858   3.864   1.314
   89   2H5*    G   9          2H5*        G   9   8.310   5.478   0.731
   90    H4*    G   9           H4*        G   9   9.113   3.726  -0.804
   91    H3*    G   9           H3*        G   9   7.112   5.791  -1.649
   92    H2*    G   9           H2*        G   9   6.593   4.743  -3.689
   93   2HO*    G   9          2HO*        G   9   8.458   2.731  -3.713
   94    H1*    G   9           H1*        G   9   6.657   2.126  -2.952
   95    H8     G   9           H8         G   9   5.215   4.977  -0.746
   96    H1     G   9           H1         G   9   0.866   1.586  -3.945
   97   1H2     G   9          1H2         G   9   1.869   0.066  -5.211
   98   2H2     G   9          2H2         G   9   3.608  -0.112  -5.266
   99   1H5*    A  10          1H5*        A  10   8.471   4.452  -5.297
  100   2H5*    A  10          2H5*        A  10   9.303   5.832  -6.041
  101    H4*    A  10           H4*        A  10   7.635   5.115  -7.607
  102    H3*    A  10           H3*        A  10   7.291   7.689  -6.189
  103    H2*    A  10           H2*        A  10   4.989   7.586  -6.057
  104   2HO*    A  10          2HO*        A  10   4.466   8.467  -7.908
  105    H1*    A  10           H1*        A  10   4.733   5.156  -7.787
  106    H8     A  10           H8         A  10   4.527   5.970  -4.008
  107   1H6     A  10          1H6         A  10  -1.378   4.297  -4.383
  108   2H6     A  10          2H6         A  10  -0.106   4.847  -3.318
  109    H2     A  10           H2         A  10   0.416   3.992  -8.498
  110   1H5*    A  11          1H5*        A  11   6.901   7.516 -11.975
  111   2H5*    A  11          2H5*        A  11   6.207   9.100 -11.575
  112    H4*    A  11           H4*        A  11   5.160   7.624 -13.512
  113    H3*    A  11           H3*        A  11   3.752   9.290 -11.401
  114    H2*    A  11           H2*        A  11   1.644   8.595 -12.253
  115   2HO*    A  11          2HO*        A  11   3.183   7.839 -14.515
  116    H1*    A  11           H1*        A  11   2.231   5.962 -12.590
  117    H8     A  11           H8         A  11   3.981   7.000  -9.439
  118   1H6     A  11          1H6         A  11  -1.470   6.816  -6.566
  119   2H6     A  11          2H6         A  11   0.251   6.973  -6.341
  120    H2     A  11           H2         A  11  -2.204   6.404 -10.973
  121   1H5*    A  12          1H5*        A  12   1.027   9.421 -14.611
  122   2H5*    A  12          2H5*        A  12   0.986  11.140 -15.052
  123    H4*    A  12           H4*        A  12  -1.292  10.374 -14.683
  124    H3*    A  12           H3*        A  12  -0.087  12.239 -12.624
  125    H2*    A  12           H2*        A  12  -1.938  12.052 -11.257
  126   2HO*    A  12          2HO*        A  12  -4.015  11.298 -12.246
  127    H1*    A  12           H1*        A  12  -2.863   9.505 -12.034
  128    H8     A  12           H8         A  12   0.676   9.780 -10.704
  129   1H6     A  12          1H6         A  12  -1.711   9.081  -5.072
  130   2H6     A  12          2H6         A  12  -0.231   9.152  -6.003
  131    H2     A  12           H2         A  12  -5.099   9.617  -7.979
  132   1H5*    C  13          1H5*        C  13  -3.940  14.441 -14.860
  133   2H5*    C  13          2H5*        C  13  -3.919  16.054 -14.120
  134    H4*    C  13           H4*        C  13  -6.058  14.545 -13.890
  135    H3*    C  13           H3*        C  13  -4.712  16.215 -11.742
  136    H2*    C  13           H2*        C  13  -6.339  15.487 -10.164
  137   2HO*    C  13          2HO*        C  13  -8.027  13.933 -11.343
  138    H1*    C  13           H1*        C  13  -6.392  12.859 -10.881
  139   1H4     C  13          1H4         C  13  -2.130  13.300  -6.190
  140   2H4     C  13          2H4         C  13  -0.865  13.538  -7.373
  141    H5     C  13           H5         C  13  -1.296  13.818  -9.722
  142    H6     C  13           H6         C  13  -3.025  13.923 -11.447
  143   1H5*    A  14          1H5*        A  14  -8.226  16.875 -10.730
  144   2H5*    A  14          2H5*        A  14  -8.793  18.531 -11.025
  145    H4*    A  14           H4*        A  14  -9.317  18.323  -8.782
  146    H3*    A  14           H3*        A  14  -6.448  19.321  -8.954
  147    H2*    A  14           H2*        A  14  -6.350  19.305  -6.590
  148   2HO*    A  14          2HO*        A  14  -8.822  18.658  -5.817
  149    H1*    A  14           H1*        A  14  -7.846  17.022  -6.172
  150    H8     A  14           H8         A  14  -5.179  16.771  -8.890
  151   1H6     A  14          1H6         A  14  -1.204  15.353  -4.411
  152   2H6     A  14          2H6         A  14  -1.428  15.487  -6.141
  153    H2     A  14           H2         A  14  -5.105  16.508  -2.500
  154   1H5*    G  15          1H5*        G  15  -9.453  21.473  -6.000
  155   2H5*    G  15          2H5*        G  15  -8.921  23.166  -6.035
  156    H4*    G  15           H4*        G  15  -9.309  22.235  -3.720
  157    H3*    G  15           H3*        G  15  -6.660  23.405  -4.617
  158    H2*    G  15           H2*        G  15  -5.718  22.967  -2.470
  159   2HO*    G  15          2HO*        G  15  -8.432  22.806  -1.727
  160    H1*    G  15           H1*        G  15  -6.676  20.445  -2.165
  161    H8     G  15           H8         G  15  -5.957  21.203  -5.808
  162    H1     G  15           H1         G  15  -0.810  19.308  -2.567
  163   1H2     G  15          1H2         G  15  -1.262  19.230  -0.396
  164   2H2     G  15          2H2         G  15  -2.831  19.648   0.252
  165   1H5*    U  16          1H5*        U  16  -4.869  27.124  -2.589
  166   2H5*    U  16          2H5*        U  16  -4.796  25.628  -3.535
  167    H4*    U  16           H4*        U  16  -4.509  25.710  -0.510
  168    H3*    U  16           H3*        U  16  -2.455  26.027  -2.724
  169    H2*    U  16           H2*        U  16  -0.926  24.680  -1.491
  170   2HO*    U  16          2HO*        U  16  -2.776  24.662   0.689
  171    H1*    U  16           H1*        U  16  -2.669  22.722  -0.806
  172    H3     U  16           H3         U  16   0.275  21.764  -4.319
  173    H5     U  16           H5         U  16  -3.409  22.908  -5.991
  174    H6     U  16           H6         U  16  -4.114  23.609  -3.804
  175   1H5*    U  17          1H5*        U  17   1.144  28.329  -2.069
  176   2H5*    U  17          2H5*        U  17   1.067  26.645  -1.514
  177    H4*    U  17           H4*        U  17   2.845  28.772  -0.657
  178    H3*    U  17           H3*        U  17   3.139  26.115  -1.070
  179    H2*    U  17           H2*        U  17   1.688  25.324   0.649
  180   2HO*    U  17          2HO*        U  17   3.390  24.259   1.400
  181    H1*    U  17           H1*        U  17   2.665  27.277   2.695
  182    H3     U  17           H3         U  17  -0.628  25.562   5.228
  183    H5     U  17           H5         U  17  -2.576  26.501   1.609
  184    H6     U  17           H6         U  17  -0.430  27.132   0.694
  185   1H5*    C  18          1H5*        C  18   5.368  23.347   0.456
  186   2H5*    C  18          2H5*        C  18   6.881  24.263   0.295
  187    H4*    C  18           H4*        C  18   6.990  22.077  -0.881
  188    H3*    C  18           H3*        C  18   7.933  24.469  -1.847
  189    H2*    C  18           H2*        C  18   5.991  25.032  -3.134
  190   2HO*    C  18          2HO*        C  18   6.544  23.942  -5.354
  191    H1*    C  18           H1*        C  18   5.785  22.182  -4.120
  192   1H4     C  18          1H4         C  18   0.374  24.764  -6.268
  193   2H4     C  18          2H4         C  18  -0.127  25.124  -4.631
  194    H5     C  18           H5         C  18   1.268  24.740  -2.709
  195    H6     C  18           H6         C  18   3.446  23.928  -1.936
  196   1H5*    G  19          1H5*        G  19   7.973  18.850  -2.588
  197   2H5*    G  19          2H5*        G  19   7.203  20.417  -2.273
  198    H4*    G  19           H4*        G  19   8.833  18.962  -0.164
  199    H3*    G  19           H3*        G  19   5.882  18.685  -0.877
  200    H2*    G  19           H2*        G  19   5.459  18.393   1.442
  201   2HO*    G  19          2HO*        G  19   7.124  17.916   2.915
  202    H1*    G  19           H1*        G  19   7.322  20.263   2.333
  203    H8     G  19           H8         G  19   5.468  21.590   3.464
  204    H1     G  19           H1         G  19   1.758  21.674  -1.727
  205   1H2     G  19          1H2         G  19   2.754  20.546  -3.372
  206   2H2     G  19          2H2         G  19   4.314  19.787  -3.181
  207   1H5*    C  20          1H5*        C  20   6.250  16.235   1.806
  208   2H5*    C  20          2H5*        C  20   5.276  14.756   1.700
  209    H4*    C  20           H4*        C  20   4.537  16.378   3.492
  210    H3*    C  20           H3*        C  20   2.735  15.371   1.280
  211    H2*    C  20           H2*        C  20   0.935  16.721   2.054
  212   2HO*    C  20          2HO*        C  20   1.892  18.026   4.154
  213    H1*    C  20           H1*        C  20   2.304  19.010   2.411
  214   1H4     C  20          1H4         C  20   0.466  18.755  -3.725
  215   2H4     C  20          2H4         C  20   2.066  18.173  -4.134
  216    H5     C  20           H5         C  20   3.719  17.594  -2.499
  217    H6     C  20           H6         C  20   4.222  17.467  -0.107
  218   1H5*    U  21          1H5*        U  21   0.612  15.448   4.106
  219   2H5*    U  21          2H5*        U  21   0.342  14.090   5.217
  220    H4*    U  21           H4*        U  21  -1.803  14.879   5.174
  221    H3*    U  21           H3*        U  21  -1.485  13.084   2.760
  222    H2*    U  21           H2*        U  21  -3.658  13.672   1.982
  223   2HO*    U  21          2HO*        U  21  -4.607  15.380   3.767
  224    H1*    U  21           H1*        U  21  -3.487  16.342   2.390
  225    H3     U  21           H3         U  21  -2.878  15.871  -2.075
  226    H5     U  21           H5         U  21   0.831  14.756  -0.413
  227    H6     U  21           H6         U  21  -0.196  14.886   1.787
  228   1H5*    G  22          1H5*        G  22  -4.909  12.686   3.911
  229   2H5*    G  22          2H5*        G  22  -5.727  11.128   4.138
  230    H4*    G  22           H4*        G  22  -6.948  12.342   2.460
  231    H3*    G  22           H3*        G  22  -5.187  10.116   1.368
  232    H2*    G  22           H2*        G  22  -5.958  10.615  -0.791
  233   2HO*    G  22          2HO*        G  22  -7.954  11.491  -1.188
  234    H1*    G  22           H1*        G  22  -6.420  13.357  -0.405
  235    H8     G  22           H8         G  22  -2.912  12.330   0.425
  236    H1     G  22           H1         G  22  -3.844  13.007  -5.841
  237   1H2     G  22          1H2         G  22  -6.008  13.210  -6.270
  238   2H2     G  22          2H2         G  22  -7.223  13.179  -5.012
  239   1H5*    U  23          1H5*        U  23  -8.706  10.310   0.105
  240   2H5*    U  23          2H5*        U  23 -10.008   9.180   0.533
  241    H4*    U  23           H4*        U  23 -10.606   9.567  -1.649
  242    H3*    U  23           H3*        U  23  -8.477   7.394  -1.756
  243    H2*    U  23           H2*        U  23  -8.802   7.343  -4.139
  244   2HO*    U  23          2HO*        U  23 -11.208   8.470  -3.441
  245    H1*    U  23           H1*        U  23  -8.663  10.046  -4.460
  246    H3     U  23           H3         U  23  -4.487   8.810  -5.733
  247    H5     U  23           H5         U  23  -4.443   8.417  -1.534
  248    H6     U  23           H6         U  23  -6.825   8.870  -1.522
  249   1H5*    G  24          1H5*        G  24 -11.816   5.252  -3.472
  250   2H5*    G  24          2H5*        G  24 -11.317   3.555  -3.621
  251    H4*    G  24           H4*        G  24 -11.182   5.111  -5.715
  252    H3*    G  24           H3*        G  24  -8.905   3.314  -4.768
  253    H2*    G  24           H2*        G  24  -7.813   3.891  -6.802
  254   2HO*    G  24          2HO*        G  24  -9.118   5.169  -8.399
  255    H1*    G  24           H1*        G  24  -8.680   6.555  -6.819
  256    H8     G  24           H8         G  24  -7.368   5.893  -3.415
  257    H1     G  24           H1         G  24  -2.690   6.340  -7.700
  258   1H2     G  24          1H2         G  24  -3.517   6.260  -9.753
  259   2H2     G  24          2H2         G  24  -5.231   6.094 -10.064
  260   1H5*    C  25          1H5*        C  25  -9.210   1.434  -8.560
  261   2H5*    C  25          2H5*        C  25  -8.405  -0.117  -8.254
  262    H4*    C  25           H4*        C  25  -7.154   1.804  -9.572
  263    H3*    C  25           H3*        C  25  -5.988   0.024  -7.388
  264    H2*    C  25           H2*        C  25  -3.933   1.124  -7.687
  265   2HO*    C  25          2HO*        C  25  -4.919   1.836 -10.275
  266    H1*    C  25           H1*        C  25  -5.015   3.611  -8.587
  267   1H4     C  25          1H4         C  25  -1.956   4.490  -3.057
  268   2H4     C  25          2H4         C  25  -3.461   4.206  -2.211
  269    H5     C  25           H5         C  25  -5.475   3.473  -3.317
  270    H6     C  25           H6         C  25  -6.468   2.850  -5.469
  271   1H5*    C  26          1H5*        C  26  -4.010  -1.932 -10.348
  272   2H5*    C  26          2H5*        C  26  -4.326  -3.675 -10.455
  273    H4*    C  26           H4*        C  26  -2.165  -3.649  -9.575
  274    H3*    C  26           H3*        C  26  -4.209  -3.749  -7.347
  275    H2*    C  26           H2*        C  26  -2.592  -3.300  -5.742
  276   2HO*    C  26          2HO*        C  26  -0.337  -4.092  -6.218
  277    H1*    C  26           H1*        C  26  -0.517  -2.403  -7.588
  278   1H4     C  26          1H4         C  26  -0.676   2.248  -3.293
  279   2H4     C  26          2H4         C  26  -2.420   2.347  -3.376
  280    H5     C  26           H5         C  26  -3.760   0.909  -4.772
  281    H6     C  26           H6         C  26  -3.711  -0.934  -6.386
  282   1H5*    G  27          1H5*        G  27  -3.034  -5.729  -5.326
  283   2H5*    G  27          2H5*        G  27  -3.763  -7.338  -5.156
  284    H4*    G  27           H4*        G  27  -4.415  -6.472  -3.132
  285    H3*    G  27           H3*        G  27  -6.479  -5.525  -5.150
  286    H2*    G  27           H2*        G  27  -7.533  -4.258  -3.479
  287   2HO*    G  27          2HO*        G  27  -7.235  -6.293  -2.026
  288    H1*    G  27           H1*        G  27  -5.243  -3.627  -1.963
  289    H8     G  27           H8         G  27  -4.649  -2.659  -5.510
  290    H1     G  27           H1         G  27  -8.544   1.433  -2.550
  291   1H2     G  27          1H2         G  27  -9.209   0.583  -0.613
  292   2H2     G  27          2H2         G  27  -8.692  -0.991  -0.051
  293   1H5*    A  28          1H5*        A  28  -5.850  -8.154  -6.151
  294   2H5*    A  28          2H5*        A  28  -6.054  -9.882  -6.497
  295    H4*    A  28           H4*        A  28  -4.046  -9.709  -5.217
  296    H3*    A  28           H3*        A  28  -6.450 -10.621  -3.601
  297    H2*    A  28           H2*        A  28  -5.105 -10.746  -1.672
  298   2HO*    A  28          2HO*        A  28  -2.685 -10.392  -3.073
  299    H1*    A  28           H1*        A  28  -3.403  -8.597  -2.239
  300    H8     A  28           H8         A  28  -7.282  -8.642  -2.313
  301   1H6     A  28          1H6         A  28  -6.971  -5.840   3.161
  302   2H6     A  28          2H6         A  28  -8.043  -6.442   1.917
  303    H2     A  28           H2         A  28  -2.777  -6.691   1.791
  304   1H5*    A  29          1H5*        A  29  -2.667 -12.842  -5.277
  305   2H5*    A  29          2H5*        A  29  -1.970 -14.298  -4.538
  306    H4*    A  29           H4*        A  29  -0.419 -12.245  -5.073
  307    H3*    A  29           H3*        A  29  -0.467 -13.983  -2.595
  308    H2*    A  29           H2*        A  29   1.198 -12.649  -1.570
  309   2HO*    A  29          2HO*        A  29   1.725 -11.903  -4.231
  310    H1*    A  29           H1*        A  29   0.280 -10.194  -2.326
  311    H8     A  29           H8         A  29  -2.698 -12.340  -1.507
  312   1H6     A  29          1H6         A  29  -1.642 -11.159   4.445
  313   2H6     A  29          2H6         A  29  -2.766 -11.853   3.298
  314    H2     A  29           H2         A  29   1.864  -9.640   2.079
  315   1H5*    A  30          1H5*        A  30   3.793 -13.167  -3.240
  316   2H5*    A  30          2H5*        A  30   4.521 -14.785  -3.278
  317    H4*    A  30           H4*        A  30   5.668 -13.342  -1.638
  318    H3*    A  30           H3*        A  30   4.057 -15.707  -0.623
  319    H2*    A  30           H2*        A  30   4.497 -15.109   1.564
  320   2HO*    A  30          2HO*        A  30   6.461 -13.794   2.017
  321    H1*    A  30           H1*        A  30   5.091 -12.333   1.102
  322    H8     A  30           H8         A  30   1.552 -13.427   0.433
  323   1H6     A  30          1H6         A  30   0.452 -12.772   6.457
  324   2H6     A  30          2H6         A  30  -0.273 -13.056   4.891
  325    H2     A  30           H2         A  30   4.883 -12.358   5.786
  326   1H5*    G  31          1H5*        G  31   8.466 -15.332   0.167
  327   2H5*    G  31          2H5*        G  31   9.332 -16.873   0.005
  328    H4*    G  31           H4*        G  31  10.337 -15.760   1.858
  329    H3*    G  31           H3*        G  31   8.425 -17.986   2.571
  330    H2*    G  31           H2*        G  31   8.616 -17.538   4.883
  331   2HO*    G  31          2HO*        G  31  10.841 -15.854   4.235
  332    H1*    G  31           H1*        G  31   8.588 -14.815   4.804
  333    H8     G  31           H8         G  31   6.221 -16.210   2.200
  334    H1     G  31           H1         G  31   3.757 -16.151   8.087
  335   1H2     G  31          1H2         G  31   5.336 -15.663   9.562
  336   2H2     G  31          2H2         G  31   6.993 -15.350   9.097
  337   1H5*    G  32          1H5*        G  32  12.232 -18.909   5.129
  338   2H5*    G  32          2H5*        G  32  12.021 -20.642   5.448
  339    H4*    G  32           H4*        G  32  11.932 -18.901   7.436
  340    H3*    G  32           H3*        G  32  10.184 -21.331   6.949
  341    H2*    G  32           H2*        G  32   8.916 -20.834   8.887
  342   2HO*    G  32          2HO*        G  32  11.273 -19.737   9.688
  343    H1*    G  32           H1*        G  32   8.791 -18.111   8.586
  344    H8     G  32           H8         G  32   8.356 -19.743   5.216
  345    H1     G  32           H1         G  32   3.078 -20.059   8.777
  346   1H2     G  32          1H2         G  32   3.526 -19.439  10.858
  347   2H2     G  32          2H2         G  32   5.125 -18.945  11.369
  348   1H5*    U  33          1H5*        U  33  10.965 -22.756  10.864
  349   2H5*    U  33          2H5*        U  33  10.894 -24.507  10.580
  350    H4*    U  33           H4*        U  33   8.876 -23.265  11.754
  351    H3*    U  33           H3*        U  33   8.802 -25.444   9.646
  352    H2*    U  33           H2*        U  33   6.506 -25.231   9.421
  353   2HO*    U  33          2HO*        U  33   5.191 -24.568  11.197
  354    H1*    U  33           H1*        U  33   6.232 -22.568  10.453
  355    H3     U  33           H3         U  33   3.629 -23.356   6.711
  356    H5     U  33           H5         U  33   7.466 -22.307   5.314
  357    H6     U  33           H6         U  33   8.273 -22.483   7.595
  358   1H5*    C  34          1H5*        C  34   6.627 -26.524  13.320
  359   2H5*    C  34          2H5*        C  34   6.990 -28.150  13.933
  360    H4*    C  34           H4*        C  34   4.633 -28.060  13.954
  361    H3*    C  34           H3*        C  34   5.664 -29.339  11.410
  362    H2*    C  34           H2*        C  34   3.477 -29.676  10.669
  363   2HO*    C  34          2HO*        C  34   2.937 -29.696  13.397
  364    H1*    C  34           H1*        C  34   2.384 -27.329  11.714
  365   1H4     C  34          1H4         C  34   3.067 -26.420   5.460
  366   2H4     C  34          2H4         C  34   4.796 -26.230   5.646
  367    H5     C  34           H5         C  34   5.938 -26.527   7.746
  368    H6     C  34           H6         C  34   5.670 -27.067  10.125
  369    H3T    C  34           H3T        C  34   4.566 -30.176  13.902
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  -2.100 -26.861  -0.628
    2   2H5*    G   1          2H5*        G   1  -3.320 -25.911   0.243
    3    H4*    G   1           H4*        G   1  -3.459 -28.242   0.944
    4    H3*    G   1           H3*        G   1  -2.566 -26.121   2.864
    5    H2*    G   1           H2*        G   1  -1.858 -27.641   4.523
    6   2HO*    G   1          2HO*        G   1  -3.682 -29.313   3.227
    7    H1*    G   1           H1*        G   1  -0.627 -29.481   3.002
    8    H8     G   1           H8         G   1   0.155 -26.434   1.093
    9    H1     G   1           H1         G   1   3.241 -26.458   6.671
   10   1H2     G   1          1H2         G   1   2.410 -28.035   7.991
   11   2H2     G   1          2H2         G   1   1.097 -29.079   7.496
   12    H5T    G   1           H5T        G   1  -1.710 -24.701   0.769
   13   1H5*    G   2          1H5*        G   2  -3.723 -28.491   5.696
   14   2H5*    G   2          2H5*        G   2  -5.432 -28.097   5.969
   15    H4*    G   2           H4*        G   2  -4.786 -28.186   8.165
   16    H3*    G   2           H3*        G   2  -4.044 -25.406   7.203
   17    H2*    G   2           H2*        G   2  -3.049 -24.952   9.301
   18   2HO*    G   2          2HO*        G   2  -3.454 -26.885  10.931
   19    H1*    G   2           H1*        G   2  -1.955 -27.449   9.763
   20    H8     G   2           H8         G   2  -1.333 -26.360   6.206
   21    H1     G   2           H1         G   2   2.714 -23.696  10.346
   22   1H2     G   2          1H2         G   2   2.038 -24.077  12.424
   23   2H2     G   2          2H2         G   2   0.590 -24.990  12.788
   24   1H5*    C   3          1H5*        C   3  -5.224 -24.324  10.923
   25   2H5*    C   3          2H5*        C   3  -6.327 -22.944  10.747
   26    H4*    C   3           H4*        C   3  -4.269 -22.346  12.011
   27    H3*    C   3           H3*        C   3  -4.917 -21.055   9.354
   28    H2*    C   3           H2*        C   3  -2.841 -20.042   9.239
   29   2HO*    C   3          2HO*        C   3  -1.881 -19.704  11.620
   30    H1*    C   3           H1*        C   3  -1.541 -21.621  11.326
   31   1H4     C   3          1H4         C   3   2.351 -21.580   6.283
   32   2H4     C   3          2H4         C   3   1.294 -22.694   5.445
   33    H5     C   3           H5         C   3  -0.832 -23.408   6.321
   34    H6     C   3           H6         C   3  -2.406 -23.210   8.188
   35   1H5*    C   4          1H5*        C   4  -4.998 -18.102  13.420
   36   2H5*    C   4          2H5*        C   4  -5.403 -16.486  12.807
   37    H4*    C   4           H4*        C   4  -3.328 -16.750  14.364
   38    H3*    C   4           H3*        C   4  -3.552 -15.180  11.791
   39    H2*    C   4           H2*        C   4  -1.250 -14.626  11.845
   40   2HO*    C   4          2HO*        C   4  -1.613 -15.008  14.545
   41    H1*    C   4           H1*        C   4  -0.255 -17.026  12.568
   42   1H4     C   4          1H4         C   4  -0.359 -16.860   6.188
   43   2H4     C   4          2H4         C   4  -1.976 -17.526   6.199
   44    H5     C   4           H5         C   4  -3.241 -17.891   8.218
   45    H6     C   4           H6         C   4  -3.228 -17.695  10.661
   46   1H5*    U   5          1H5*        U   5  -1.080 -12.327  14.015
   47   2H5*    U   5          2H5*        U   5  -2.053 -10.849  13.894
   48    H4*    U   5           H4*        U   5   0.233 -10.515  12.994
   49    H3*    U   5           H3*        U   5  -2.176 -10.331  11.168
   50    H2*    U   5           H2*        U   5  -0.836 -10.117   9.292
   51   2HO*    U   5          2HO*        U   5   1.004  -8.904  11.094
   52    H1*    U   5           H1*        U   5   1.573 -11.261  10.355
   53    H3     U   5           H3         U   5   1.169 -13.056   6.213
   54    H5     U   5           H5         U   5  -2.013 -14.750   8.398
   55    H6     U   5           H6         U   5  -1.456 -13.268  10.228
   56   1H5*    U   6          1H5*        U   6   0.370  -6.416  11.631
   57   2H5*    U   6          2H5*        U   6  -0.459  -4.994  10.963
   58    H4*    U   6           H4*        U   6   1.878  -5.536  10.026
   59    H3*    U   6           H3*        U   6  -0.627  -4.974   8.444
   60    H2*    U   6           H2*        U   6   0.394  -5.504   6.404
   61   2HO*    U   6          2HO*        U   6   3.018  -5.643   7.324
   62    H1*    U   6           H1*        U   6   2.155  -7.479   7.244
   63    H3     U   6           H3         U   6  -0.694  -9.252   4.156
   64    H5     U   6           H5         U   6  -2.878  -9.217   7.760
   65    H6     U   6           H6         U   6  -1.076  -7.941   8.767
   66   1H5*    A   7          1H5*        A   7   3.602  -3.596   7.509
   67   2H5*    A   7          2H5*        A   7   3.537  -1.843   7.235
   68    H4*    A   7           H4*        A   7   5.249  -2.890   5.815
   69    H3*    A   7           H3*        A   7   2.881  -1.463   4.708
   70    H2*    A   7           H2*        A   7   3.025  -2.297   2.540
   71   2HO*    A   7          2HO*        A   7   5.719  -3.106   3.028
   72    H1*    A   7           H1*        A   7   4.024  -4.806   2.938
   73    H8     A   7           H8         A   7   1.299  -3.477   5.299
   74   1H6     A   7          1H6         A   7  -2.742  -6.161   1.506
   75   2H6     A   7          2H6         A   7  -2.548  -5.298   3.015
   76    H2     A   7           H2         A   7   1.354  -6.570  -0.299
   77   1H5*    G   8          1H5*        G   8   8.619  -0.608   2.299
   78   2H5*    G   8          2H5*        G   8   7.621   0.739   2.881
   79    H4*    G   8           H4*        G   8   8.384   0.637   0.350
   80    H3*    G   8           H3*        G   8   5.695   1.438   1.500
   81    H2*    G   8           H2*        G   8   4.822   1.737  -0.671
   82   2HO*    G   8          2HO*        G   8   6.254   1.822  -2.512
   83    H1*    G   8           H1*        G   8   6.095  -0.378  -1.916
   84    H8     G   8           H8         G   8   4.528  -0.938   1.556
   85    H1     G   8           H1         G   8   0.547  -1.996  -3.311
   86   1H2     G   8          1H2         G   8   1.512  -1.422  -5.222
   87   2H2     G   8          2H2         G   8   3.136  -0.777  -5.299
   88   1H5*    G   9          1H5*        G   9   8.584   2.800  -1.116
   89   2H5*    G   9          2H5*        G   9   9.095   4.491  -1.287
   90    H4*    G   9           H4*        G   9   9.581   3.391  -3.367
   91    H3*    G   9           H3*        G   9   7.350   5.374  -3.275
   92    H2*    G   9           H2*        G   9   6.415   4.786  -5.346
   93   2HO*    G   9          2HO*        G   9   7.671   3.478  -6.860
   94    H1*    G   9           H1*        G   9   6.762   2.100  -5.356
   95    H8     G   9           H8         G   9   5.802   4.079  -2.162
   96    H1     G   9           H1         G   9   0.940   1.167  -5.083
   97   1H2     G   9          1H2         G   9   1.642   0.203  -6.954
   98   2H2     G   9          2H2         G   9   3.310   0.280  -7.481
   99   1H5*    A  10          1H5*        A  10   8.388   5.097  -7.391
  100   2H5*    A  10          2H5*        A  10   8.641   6.761  -7.960
  101    H4*    A  10           H4*        A  10   6.860   5.562  -9.234
  102    H3*    A  10           H3*        A  10   6.582   8.150  -7.863
  103    H2*    A  10           H2*        A  10   4.422   7.839  -7.115
  104   2HO*    A  10          2HO*        A  10   3.118   8.391  -8.671
  105    H1*    A  10           H1*        A  10   3.925   5.335  -8.671
  106    H8     A  10           H8         A  10   4.755   6.167  -4.990
  107   1H6     A  10          1H6         A  10  -0.951   4.280  -3.679
  108   2H6     A  10          2H6         A  10   0.552   4.877  -3.013
  109    H2     A  10           H2         A  10  -0.393   4.034  -8.133
  110   1H5*    A  11          1H5*        A  11   4.637   7.403 -13.355
  111   2H5*    A  11          2H5*        A  11   4.107   9.016 -12.836
  112    H4*    A  11           H4*        A  11   2.510   7.486 -14.292
  113    H3*    A  11           H3*        A  11   1.820   9.249 -11.919
  114    H2*    A  11           H2*        A  11  -0.448   8.562 -12.065
  115   2HO*    A  11          2HO*        A  11  -0.711   6.946 -14.067
  116    H1*    A  11           H1*        A  11  -0.004   5.907 -12.509
  117    H8     A  11           H8         A  11   2.565   7.064 -10.017
  118   1H6     A  11          1H6         A  11  -1.810   6.739  -5.686
  119   2H6     A  11          2H6         A  11  -0.103   6.963  -5.973
  120    H2     A  11           H2         A  11  -3.769   6.219  -9.690
  121   1H5*    A  12          1H5*        A  12  -1.688   9.058 -14.094
  122   2H5*    A  12          2H5*        A  12  -2.036  10.727 -14.589
  123    H4*    A  12           H4*        A  12  -3.987   9.849 -13.447
  124    H3*    A  12           H3*        A  12  -2.337  11.893 -11.929
  125    H2*    A  12           H2*        A  12  -3.692  11.670 -10.069
  126   2HO*    A  12          2HO*        A  12  -5.604  12.108 -11.443
  127    H1*    A  12           H1*        A  12  -4.606   9.028 -10.485
  128    H8     A  12           H8         A  12  -0.868   9.593 -10.185
  129   1H6     A  12          1H6         A  12  -1.578   8.970  -4.098
  130   2H6     A  12          2H6         A  12  -0.415   9.086  -5.400
  131    H2     A  12           H2         A  12  -5.656   9.211  -5.970
  132   1H5*    C  13          1H5*        C  13  -6.790  13.776 -12.979
  133   2H5*    C  13          2H5*        C  13  -6.648  15.437 -12.368
  134    H4*    C  13           H4*        C  13  -8.525  13.880 -11.414
  135    H3*    C  13           H3*        C  13  -6.657  15.687  -9.845
  136    H2*    C  13           H2*        C  13  -7.710  14.995  -7.827
  137   2HO*    C  13          2HO*        C  13  -9.710  14.090  -7.768
  138    H1*    C  13           H1*        C  13  -7.879  12.333  -8.401
  139   1H4     C  13          1H4         C  13  -2.447  13.056  -5.193
  140   2H4     C  13          2H4         C  13  -1.597  13.299  -6.701
  141    H5     C  13           H5         C  13  -2.710  13.491  -8.821
  142    H6     C  13           H6         C  13  -4.871  13.491  -9.961
  143   1H5*    A  14          1H5*        A  14  -9.701  16.607  -7.953
  144   2H5*    A  14          2H5*        A  14 -10.263  18.282  -8.130
  145    H4*    A  14           H4*        A  14  -9.988  18.196  -5.834
  146    H3*    A  14           H3*        A  14  -7.286  18.973  -7.008
  147    H2*    A  14           H2*        A  14  -6.442  19.066  -4.801
  148   2HO*    A  14          2HO*        A  14  -8.815  18.690  -3.436
  149    H1*    A  14           H1*        A  14  -7.895  16.948  -3.772
  150    H8     A  14           H8         A  14  -6.142  16.264  -7.079
  151   1H6     A  14          1H6         A  14  -1.135  14.896  -3.772
  152   2H6     A  14          2H6         A  14  -1.843  14.886  -5.371
  153    H2     A  14           H2         A  14  -4.227  16.602  -0.989
  154   1H5*    G  15          1H5*        G  15  -8.843  21.133  -3.723
  155   2H5*    G  15          2H5*        G  15  -8.858  22.895  -3.936
  156    H4*    G  15           H4*        G  15  -8.190  22.494  -1.677
  157    H3*    G  15           H3*        G  15  -5.914  23.248  -3.544
  158    H2*    G  15           H2*        G  15  -4.384  23.109  -1.711
  159   2HO*    G  15          2HO*        G  15  -5.092  22.981   0.426
  160    H1*    G  15           H1*        G  15  -5.296  20.767  -0.684
  161    H8     G  15           H8         G  15  -5.624  20.908  -4.465
  162    H1     G  15           H1         G  15   0.076  18.889  -2.472
  163   1H2     G  15          1H2         G  15   0.256  19.165  -0.276
  164   2H2     G  15          2H2         G  15  -1.030  19.851   0.691
  165   1H5*    U  16          1H5*        U  16  -3.531  27.183  -2.960
  166   2H5*    U  16          2H5*        U  16  -3.795  25.528  -3.536
  167    H4*    U  16           H4*        U  16  -2.703  26.170  -0.775
  168    H3*    U  16           H3*        U  16  -1.294  25.844  -3.444
  169    H2*    U  16           H2*        U  16   0.452  24.642  -2.356
  170   2HO*    U  16          2HO*        U  16   0.890  24.880  -0.266
  171    H1*    U  16           H1*        U  16  -1.135  23.037  -0.852
  172    H3     U  16           H3         U  16   0.777  21.095  -4.656
  173    H5     U  16           H5         U  16  -3.158  22.236  -5.619
  174    H6     U  16           H6         U  16  -3.254  23.439  -3.543
  175   1H5*    U  17          1H5*        U  17   2.721  27.773  -3.915
  176   2H5*    U  17          2H5*        U  17   2.366  26.251  -3.078
  177    H4*    U  17           H4*        U  17   4.666  27.980  -2.800
  178    H3*    U  17           H3*        U  17   4.290  25.300  -2.700
  179    H2*    U  17           H2*        U  17   2.956  25.204  -0.726
  180   2HO*    U  17          2HO*        U  17   4.973  25.201   1.007
  181    H1*    U  17           H1*        U  17   4.640  27.173   0.778
  182    H3     U  17           H3         U  17   1.474  26.986   3.951
  183    H5     U  17           H5         U  17  -0.757  27.422   0.400
  184    H6     U  17           H6         U  17   1.318  27.303  -0.837
  185   1H5*    C  18          1H5*        C  18   7.152  22.589  -1.744
  186   2H5*    C  18          2H5*        C  18   8.451  23.442  -2.600
  187    H4*    C  18           H4*        C  18   8.055  21.085  -3.403
  188    H3*    C  18           H3*        C  18   8.679  23.334  -4.908
  189    H2*    C  18           H2*        C  18   6.478  23.782  -5.697
  190   2HO*    C  18          2HO*        C  18   6.911  23.454  -7.738
  191    H1*    C  18           H1*        C  18   5.933  20.826  -6.010
  192   1H4     C  18          1H4         C  18   0.168  23.357  -6.947
  193   2H4     C  18          2H4         C  18   0.199  24.079  -5.354
  194    H5     C  18           H5         C  18   2.111  23.973  -3.894
  195    H6     C  18           H6         C  18   4.407  23.153  -3.645
  196   1H5*    G  19          1H5*        G  19   8.483  17.650  -4.863
  197   2H5*    G  19          2H5*        G  19   7.824  19.275  -4.593
  198    H4*    G  19           H4*        G  19   9.906  18.038  -2.759
  199    H3*    G  19           H3*        G  19   6.874  17.780  -2.734
  200    H2*    G  19           H2*        G  19   6.937  17.906  -0.377
  201   2HO*    G  19          2HO*        G  19   9.352  17.882   0.474
  202    H1*    G  19           H1*        G  19   9.050  19.731  -0.178
  203    H8     G  19           H8         G  19   7.621  21.440   1.062
  204    H1     G  19           H1         G  19   2.693  20.857  -2.942
  205   1H2     G  19          1H2         G  19   3.195  19.386  -4.539
  206   2H2     G  19          2H2         G  19   4.734  18.560  -4.602
  207   1H5*    C  20          1H5*        C  20   7.880  15.738   0.116
  208   2H5*    C  20          2H5*        C  20   6.966  14.260   0.476
  209    H4*    C  20           H4*        C  20   6.591  16.098   2.141
  210    H3*    C  20           H3*        C  20   4.343  14.901   0.503
  211    H2*    C  20           H2*        C  20   2.768  16.366   1.524
  212   2HO*    C  20          2HO*        C  20   4.895  16.936   3.351
  213    H1*    C  20           H1*        C  20   4.204  18.644   1.310
  214   1H4     C  20          1H4         C  20   1.068  18.155  -4.213
  215   2H4     C  20          2H4         C  20   2.337  17.128  -4.846
  216    H5     C  20           H5         C  20   4.174  16.337  -3.530
  217    H6     C  20           H6         C  20   5.202  16.341  -1.310
  218   1H5*    U  21          1H5*        U  21   3.023  15.446   3.821
  219   2H5*    U  21          2H5*        U  21   2.989  14.196   5.080
  220    H4*    U  21           H4*        U  21   0.976  15.176   5.549
  221    H3*    U  21           H3*        U  21   0.487  13.168   3.336
  222    H2*    U  21           H2*        U  21  -1.793  13.861   3.178
  223   2HO*    U  21          2HO*        U  21  -1.301  15.404   5.543
  224    H1*    U  21           H1*        U  21  -1.347  16.528   3.202
  225    H3     U  21           H3         U  21  -2.039  15.658  -1.179
  226    H5     U  21           H5         U  21   1.816  14.123  -0.453
  227    H6     U  21           H6         U  21   1.493  14.607   1.902
  228   1H5*    G  22          1H5*        G  22  -2.455  12.976   5.328
  229   2H5*    G  22          2H5*        G  22  -3.193  11.473   5.912
  230    H4*    G  22           H4*        G  22  -4.811  12.439   4.474
  231    H3*    G  22           H3*        G  22  -3.207  10.282   3.042
  232    H2*    G  22           H2*        G  22  -4.533  10.645   1.143
  233   2HO*    G  22          2HO*        G  22  -6.498  12.241   2.204
  234    H1*    G  22           H1*        G  22  -5.065  13.373   1.584
  235    H8     G  22           H8         G  22  -1.405  12.530   1.483
  236    H1     G  22           H1         G  22  -3.987  13.003  -4.322
  237   1H2     G  22          1H2         G  22  -6.194  13.111  -4.163
  238   2H2     G  22          2H2         G  22  -7.028  13.067  -2.626
  239   1H5*    U  23          1H5*        U  23  -6.998  10.247   2.834
  240   2H5*    U  23          2H5*        U  23  -8.060   9.024   3.560
  241    H4*    U  23           H4*        U  23  -9.243   9.470   1.628
  242    H3*    U  23           H3*        U  23  -7.210   7.308   0.949
  243    H2*    U  23           H2*        U  23  -8.149   7.259  -1.261
  244   2HO*    U  23          2HO*        U  23 -10.366   7.543  -0.547
  245    H1*    U  23           H1*        U  23  -8.129   9.959  -1.606
  246    H3     U  23           H3         U  23  -4.465   8.676  -3.958
  247    H5     U  23           H5         U  23  -3.248   8.422   0.072
  248    H6     U  23           H6         U  23  -5.538   8.864   0.734
  249   1H5*    G  24          1H5*        G  24 -10.925   5.257   0.189
  250   2H5*    G  24          2H5*        G  24 -10.571   3.546  -0.121
  251    H4*    G  24           H4*        G  24 -10.940   5.161  -2.145
  252    H3*    G  24           H3*        G  24  -8.606   3.213  -1.882
  253    H2*    G  24           H2*        G  24  -8.024   3.816  -4.104
  254   2HO*    G  24          2HO*        G  24 -10.734   4.642  -4.230
  255    H1*    G  24           H1*        G  24  -8.790   6.511  -3.874
  256    H8     G  24           H8         G  24  -6.588   5.789  -0.986
  257    H1     G  24           H1         G  24  -3.303   6.212  -6.417
  258   1H2     G  24          1H2         G  24  -4.676   6.145  -8.154
  259   2H2     G  24          2H2         G  24  -6.409   5.994  -7.970
  260   1H5*    C  25          1H5*        C  25  -9.807   2.534  -5.981
  261   2H5*    C  25          2H5*        C  25  -9.408   0.815  -6.153
  262    H4*    C  25           H4*        C  25  -8.024   2.631  -7.460
  263    H3*    C  25           H3*        C  25  -7.292   0.018  -6.277
  264    H2*    C  25           H2*        C  25  -5.241   0.719  -5.470
  265   2HO*    C  25          2HO*        C  25  -4.794   1.558  -8.165
  266    H1*    C  25           H1*        C  25  -5.309   3.329  -6.948
  267   1H4     C  25          1H4         C  25  -1.270   4.417  -2.163
  268   2H4     C  25          2H4         C  25  -2.538   4.134  -0.992
  269    H5     C  25           H5         C  25  -4.756   3.400  -1.605
  270    H6     C  25           H6         C  25  -6.224   2.780  -3.475
  271   1H5*    C  26          1H5*        C  26  -6.037  -1.633 -10.740
  272   2H5*    C  26          2H5*        C  26  -6.226  -3.270 -10.080
  273    H4*    C  26           H4*        C  26  -3.828  -2.353 -10.703
  274    H3*    C  26           H3*        C  26  -4.758  -4.127  -8.488
  275    H2*    C  26           H2*        C  26  -3.138  -3.397  -7.006
  276   2HO*    C  26          2HO*        C  26  -1.771  -4.602  -9.020
  277    H1*    C  26           H1*        C  26  -1.767  -1.680  -9.046
  278   1H4     C  26          1H4         C  26  -0.300   1.424  -3.712
  279   2H4     C  26          2H4         C  26  -1.903   1.175  -3.056
  280    H5     C  26           H5         C  26  -3.622  -0.055  -4.209
  281    H6     C  26           H6         C  26  -4.176  -1.317  -6.240
  282   1H5*    G  27          1H5*        G  27  -3.145  -5.598  -7.333
  283   2H5*    G  27          2H5*        G  27  -3.167  -7.361  -7.512
  284    H4*    G  27           H4*        G  27  -4.219  -7.226  -5.476
  285    H3*    G  27           H3*        G  27  -6.326  -6.884  -7.610
  286    H2*    G  27           H2*        G  27  -7.904  -6.107  -6.098
  287   2HO*    G  27          2HO*        G  27  -6.508  -7.597  -4.099
  288    H1*    G  27           H1*        G  27  -6.143  -5.271  -3.990
  289    H8     G  27           H8         G  27  -5.480  -3.002  -6.747
  290    H1     G  27           H1         G  27 -11.321  -1.946  -4.411
  291   1H2     G  27          1H2         G  27 -11.932  -3.627  -3.103
  292   2H2     G  27          2H2         G  27 -10.902  -5.009  -2.805
  293   1H5*    A  28          1H5*        A  28  -4.289  -8.968  -8.456
  294   2H5*    A  28          2H5*        A  28  -3.734 -10.596  -8.887
  295    H4*    A  28           H4*        A  28  -2.123  -9.822  -7.332
  296    H3*    A  28           H3*        A  28  -4.207 -11.632  -6.077
  297    H2*    A  28           H2*        A  28  -3.239 -11.344  -3.958
  298   2HO*    A  28          2HO*        A  28  -0.940 -10.981  -5.491
  299    H1*    A  28           H1*        A  28  -2.326  -8.713  -4.268
  300    H8     A  28           H8         A  28  -5.909 -10.015  -4.969
  301   1H6     A  28          1H6         A  28  -7.375  -7.576   0.490
  302   2H6     A  28          2H6         A  28  -7.989  -8.404  -0.924
  303    H2     A  28           H2         A  28  -2.958  -7.021  -0.144
  304   1H5*    A  29          1H5*        A  29   0.422 -11.926  -6.174
  305   2H5*    A  29          2H5*        A  29   1.050 -13.544  -5.798
  306    H4*    A  29           H4*        A  29   2.318 -11.575  -4.765
  307    H3*    A  29           H3*        A  29   1.218 -13.945  -3.240
  308    H2*    A  29           H2*        A  29   1.853 -13.023  -1.192
  309   2HO*    A  29          2HO*        A  29   3.659 -11.837  -0.946
  310    H1*    A  29           H1*        A  29   1.674 -10.291  -1.849
  311    H8     A  29           H8         A  29  -1.301 -12.649  -2.397
  312   1H6     A  29          1H6         A  29  -3.135 -11.041   3.259
  313   2H6     A  29          2H6         A  29  -3.558 -11.930   1.813
  314    H2     A  29           H2         A  29   0.901  -9.205   2.523
  315   1H5*    A  30          1H5*        A  30   6.236 -13.343  -3.101
  316   2H5*    A  30          2H5*        A  30   6.771 -14.659  -2.036
  317    H4*    A  30           H4*        A  30   7.431 -12.162  -1.493
  318    H3*    A  30           H3*        A  30   6.583 -14.389   0.362
  319    H2*    A  30           H2*        A  30   6.522 -12.937   2.229
  320   2HO*    A  30          2HO*        A  30   8.303 -11.480   0.668
  321    H1*    A  30           H1*        A  30   5.328 -10.799   1.069
  322    H8     A  30           H8         A  30   3.768 -13.831  -0.490
  323   1H6     A  30          1H6         A  30   0.332 -14.446   4.581
  324   2H6     A  30          2H6         A  30   0.582 -15.003   2.943
  325    H2     A  30           H2         A  30   3.461 -11.322   5.389
  326   1H5*    G  31          1H5*        G  31   8.512 -12.324   3.003
  327   2H5*    G  31          2H5*        G  31  10.140 -13.024   3.093
  328    H4*    G  31           H4*        G  31   9.714 -12.899   5.346
  329    H3*    G  31           H3*        G  31   8.462 -15.493   4.386
  330    H2*    G  31           H2*        G  31   7.576 -15.872   6.533
  331   2HO*    G  31          2HO*        G  31   9.283 -13.820   7.552
  332    H1*    G  31           H1*        G  31   7.028 -13.226   7.215
  333    H8     G  31           H8         G  31   5.878 -14.363   3.761
  334    H1     G  31           H1         G  31   1.777 -15.807   8.420
  335   1H2     G  31          1H2         G  31   2.675 -15.348  10.393
  336   2H2     G  31          2H2         G  31   4.286 -14.687  10.561
  337   1H5*    G  32          1H5*        G  32  10.984 -15.378   8.450
  338   2H5*    G  32          2H5*        G  32  11.312 -17.079   8.838
  339    H4*    G  32           H4*        G  32  10.016 -15.547  10.558
  340    H3*    G  32           H3*        G  32   9.399 -18.422   9.780
  341    H2*    G  32           H2*        G  32   7.610 -18.402  11.367
  342   2HO*    G  32          2HO*        G  32   7.653 -17.132  13.075
  343    H1*    G  32           H1*        G  32   6.593 -15.992  10.666
  344    H8     G  32           H8         G  32   7.946 -17.756   7.597
  345    H1     G  32           H1         G  32   2.177 -19.844   9.319
  346   1H2     G  32          1H2         G  32   1.625 -19.008  11.296
  347   2H2     G  32          2H2         G  32   2.679 -17.934  12.190
  348   1H5*    U  33          1H5*        U  33   8.784 -18.761  13.567
  349   2H5*    U  33          2H5*        U  33   9.794 -20.022  14.302
  350    H4*    U  33           H4*        U  33   7.519 -20.612  14.769
  351    H3*    U  33           H3*        U  33   8.752 -22.229  12.502
  352    H2*    U  33           H2*        U  33   6.746 -23.465  12.367
  353   2HO*    U  33          2HO*        U  33   6.597 -22.790  15.026
  354    H1*    U  33           H1*        U  33   4.994 -21.380  12.842
  355    H3     U  33           H3         U  33   4.137 -22.798   8.621
  356    H5     U  33           H5         U  33   7.687 -20.554   8.277
  357    H6     U  33           H6         U  33   7.760 -20.422  10.696
  358   1H5*    C  34          1H5*        C  34   6.647 -24.751  14.455
  359   2H5*    C  34          2H5*        C  34   7.604 -25.955  15.340
  360    H4*    C  34           H4*        C  34   6.165 -27.407  14.302
  361    H3*    C  34           H3*        C  34   8.276 -26.764  12.223
  362    H2*    C  34           H2*        C  34   7.153 -28.085  10.669
  363   2HO*    C  34          2HO*        C  34   6.344 -29.937  11.272
  364    H1*    C  34           H1*        C  34   4.543 -27.585  11.628
  365   1H4     C  34          1H4         C  34   4.863 -24.429   6.135
  366   2H4     C  34          2H4         C  34   6.173 -23.430   6.726
  367    H5     C  34           H5         C  34   7.170 -23.709   8.899
  368    H6     C  34           H6         C  34   7.128 -25.001  10.977
  369    H3T    C  34           H3T        C  34   7.790 -29.308  13.273
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  -7.172 -25.568  11.202
    2   2H5*    G   1          2H5*        G   1  -7.672 -23.866  11.286
    3    H4*    G   1           H4*        G   1  -7.468 -24.419  13.545
    4    H3*    G   1           H3*        G   1  -5.025 -23.072  12.444
    5    H2*    G   1           H2*        G   1  -3.674 -23.579  14.313
    6   2HO*    G   1          2HO*        G   1  -5.563 -24.784  15.914
    7    H1*    G   1           H1*        G   1  -4.384 -26.114  14.752
    8    H8     G   1           H8         G   1  -4.683 -26.229  11.137
    9    H1     G   1           H1         G   1   1.404 -25.294  12.784
   10   1H2     G   1          1H2         G   1   1.531 -24.688  14.916
   11   2H2     G   1          2H2         G   1   0.115 -24.516  15.928
   12    H5T    G   1           H5T        G   1  -5.891 -24.467   9.803
   13   1H5*    G   2          1H5*        G   2  -4.229 -22.623  16.362
   14   2H5*    G   2          2H5*        G   2  -4.825 -20.993  16.733
   15    H4*    G   2           H4*        G   2  -2.728 -21.062  17.799
   16    H3*    G   2           H3*        G   2  -2.555 -19.759  15.065
   17    H2*    G   2           H2*        G   2  -0.222 -19.455  15.351
   18   2HO*    G   2          2HO*        G   2  -0.899 -19.155  17.892
   19    H1*    G   2           H1*        G   2   0.341 -21.860  16.549
   20    H8     G   2           H8         G   2  -2.148 -22.231  13.708
   21    H1     G   2           H1         G   2   3.908 -22.025  11.734
   22   1H2     G   2          1H2         G   2   5.234 -21.464  13.416
   23   2H2     G   2          2H2         G   2   4.629 -21.139  15.025
   24   1H5*    C   3          1H5*        C   3  -0.143 -17.684  17.062
   25   2H5*    C   3          2H5*        C   3  -0.316 -15.921  16.946
   26    H4*    C   3           H4*        C   3   1.881 -16.578  16.106
   27    H3*    C   3           H3*        C   3  -0.165 -15.601  14.091
   28    H2*    C   3           H2*        C   3   1.289 -16.052  12.333
   29   2HO*    C   3          2HO*        C   3   3.157 -15.189  14.216
   30    H1*    C   3           H1*        C   3   2.971 -17.954  13.711
   31   1H4     C   3          1H4         C   3   0.699 -20.785   8.474
   32   2H4     C   3          2H4         C   3  -0.857 -20.988   9.245
   33    H5     C   3           H5         C   3  -1.383 -20.083  11.416
   34    H6     C   3           H6         C   3  -0.530 -18.791  13.313
   35   1H5*    C   4          1H5*        C   4   3.546 -12.369  14.833
   36   2H5*    C   4          2H5*        C   4   3.236 -11.020  13.722
   37    H4*    C   4           H4*        C   4   5.526 -12.268  13.581
   38    H3*    C   4           H3*        C   4   3.709 -11.442  11.306
   39    H2*    C   4           H2*        C   4   5.151 -12.464   9.726
   40   2HO*    C   4          2HO*        C   4   7.013 -12.041  11.722
   41    H1*    C   4           H1*        C   4   5.648 -14.756  11.056
   42   1H4     C   4          1H4         C   4   0.553 -15.679   7.316
   43   2H4     C   4          2H4         C   4  -0.493 -15.199   8.633
   44    H5     C   4           H5         C   4   0.333 -14.352  10.733
   45    H6     C   4           H6         C   4   2.339 -13.782  12.021
   46   1H5*    U   5          1H5*        U   5   7.601 -10.366   9.505
   47   2H5*    U   5          2H5*        U   5   7.296  -8.693   8.998
   48    H4*    U   5           H4*        U   5   8.008 -10.202   7.118
   49    H3*    U   5           H3*        U   5   5.342  -8.761   7.115
   50    H2*    U   5           H2*        U   5   4.695  -9.824   5.156
   51   2HO*    U   5          2HO*        U   5   6.206 -10.450   3.575
   52    H1*    U   5           H1*        U   5   6.385 -12.124   5.338
   53    H3     U   5           H3         U   5   2.222 -13.574   4.180
   54    H5     U   5           H5         U   5   1.917 -12.519   8.251
   55    H6     U   5           H6         U   5   4.143 -11.587   8.104
   56   1H5*    U   6          1H5*        U   6   8.409  -7.312   3.619
   57   2H5*    U   6          2H5*        U   6   7.615  -6.027   2.689
   58    H4*    U   6           H4*        U   6   8.392  -8.242   1.488
   59    H3*    U   6           H3*        U   6   5.926  -6.567   1.101
   60    H2*    U   6           H2*        U   6   4.854  -8.171  -0.241
   61   2HO*    U   6          2HO*        U   6   5.954  -9.744  -1.367
   62    H1*    U   6           H1*        U   6   5.619 -10.460   0.991
   63    H3     U   6           H3         U   6   1.134  -9.645   1.564
   64    H5     U   6           H5         U   6   3.073  -7.628   4.714
   65    H6     U   6           H6         U   6   5.191  -8.107   3.633
   66   1H5*    A   7          1H5*        A   7   5.245  -4.922  -3.172
   67   2H5*    A   7          2H5*        A   7   5.372  -4.253  -1.536
   68    H4*    A   7           H4*        A   7   3.099  -3.975  -2.045
   69    H3*    A   7           H3*        A   7   3.689  -6.347  -0.334
   70    H2*    A   7           H2*        A   7   1.637  -7.406  -0.655
   71   2HO*    A   7          2HO*        A   7  -0.076  -6.207  -0.406
   72    H1*    A   7           H1*        A   7   0.966  -6.603  -3.203
   73    H8     A   7           H8         A   7   4.549  -7.826  -2.603
   74   1H6     A   7          1H6         A   7   2.481 -13.428  -4.118
   75   2H6     A   7          2H6         A   7   3.900 -12.480  -3.734
   76    H2     A   7           H2         A   7  -1.043 -10.647  -3.907
   77   1H5*    G   8          1H5*        G   8   4.759  -3.961   0.532
   78   2H5*    G   8          2H5*        G   8   5.540  -3.117   1.883
   79    H4*    G   8           H4*        G   8   5.021  -1.505   0.139
   80    H3*    G   8           H3*        G   8   4.266  -1.163   2.782
   81    H2*    G   8           H2*        G   8   1.978  -1.785   2.497
   82   2HO*    G   8          2HO*        G   8   1.903   0.925   1.598
   83    H1*    G   8           H1*        G   8   1.896  -0.322  -0.149
   84    H8     G   8           H8         G   8   1.255  -3.927  -0.367
   85    H1     G   8           H1         G   8  -4.081  -0.776   1.150
   86   1H2     G   8          1H2         G   8  -3.588   1.301   1.757
   87   2H2     G   8          2H2         G   8  -1.947   1.905   1.785
   88   1H5*    G   9          1H5*        G   9   7.329  -1.113   0.563
   89   2H5*    G   9          2H5*        G   9   8.383   0.291   0.293
   90    H4*    G   9           H4*        G   9   8.629  -1.151  -1.614
   91    H3*    G   9           H3*        G   9   7.002   1.362  -2.030
   92    H2*    G   9           H2*        G   9   6.488   0.755  -4.251
   93   2HO*    G   9          2HO*        G   9   7.847  -1.482  -4.713
   94    H1*    G   9           H1*        G   9   6.109  -1.933  -3.894
   95    H8     G   9           H8         G   9   4.778   0.528  -1.241
   96    H1     G   9           H1         G   9   0.590  -0.936  -5.819
   97   1H2     G   9          1H2         G   9   1.564  -2.193  -7.365
   98   2H2     G   9          2H2         G   9   3.244  -2.668  -7.268
   99   1H5*    A  10          1H5*        A  10   8.800   1.149  -5.174
  100   2H5*    A  10          2H5*        A  10   9.893   2.430  -5.733
  101    H4*    A  10           H4*        A  10   8.327   2.290  -7.478
  102    H3*    A  10           H3*        A  10   7.595   4.459  -5.498
  103    H2*    A  10           H2*        A  10   5.529   4.781  -6.502
  104   2HO*    A  10          2HO*        A  10   6.161   3.702  -8.996
  105    H1*    A  10           H1*        A  10   5.389   2.264  -7.930
  106    H8     A  10           H8         A  10   5.134   2.475  -4.122
  107   1H6     A  10          1H6         A  10  -0.966   2.807  -4.889
  108   2H6     A  10          2H6         A  10   0.328   2.667  -3.720
  109    H2     A  10           H2         A  10   0.962   3.001  -8.946
  110   1H5*    A  11          1H5*        A  11   9.084   6.575  -9.913
  111   2H5*    A  11          2H5*        A  11   8.489   8.241  -9.766
  112    H4*    A  11           H4*        A  11   7.660   6.701 -11.749
  113    H3*    A  11           H3*        A  11   6.058   8.632 -10.043
  114    H2*    A  11           H2*        A  11   4.078   8.032 -11.200
  115   2HO*    A  11          2HO*        A  11   4.084   7.131 -13.199
  116    H1*    A  11           H1*        A  11   4.514   5.336 -11.339
  117    H8     A  11           H8         A  11   5.669   6.409  -7.950
  118   1H6     A  11          1H6         A  11  -0.243   6.532  -6.192
  119   2H6     A  11          2H6         A  11   1.411   6.607  -5.638
  120    H2     A  11           H2         A  11  -0.120   6.081 -10.657
  121   1H5*    A  12          1H5*        A  12   3.999   8.886 -13.400
  122   2H5*    A  12          2H5*        A  12   4.127  10.545 -14.016
  123    H4*    A  12           H4*        A  12   1.788  10.083 -13.860
  124    H3*    A  12           H3*        A  12   2.874  11.791 -11.602
  125    H2*    A  12           H2*        A  12   0.825  11.771 -10.530
  126   2HO*    A  12          2HO*        A  12  -1.152  11.367 -11.752
  127    H1*    A  12           H1*        A  12  -0.201   9.338 -11.542
  128    H8     A  12           H8         A  12   3.051   9.155  -9.635
  129   1H6     A  12          1H6         A  12  -0.292   8.754  -4.485
  130   2H6     A  12          2H6         A  12   1.316   8.634  -5.163
  131    H2     A  12           H2         A  12  -3.062   9.758  -7.877
  132   1H5*    C  13          1H5*        C  13  -0.277  14.384 -14.378
  133   2H5*    C  13          2H5*        C  13  -0.240  16.004 -13.651
  134    H4*    C  13           H4*        C  13  -2.511  14.683 -13.779
  135    H3*    C  13           H3*        C  13  -1.397  16.292 -11.464
  136    H2*    C  13           H2*        C  13  -3.284  15.723 -10.140
  137   2HO*    C  13          2HO*        C  13  -4.755  14.287 -11.933
  138    H1*    C  13           H1*        C  13  -3.507  13.100 -10.885
  139   1H4     C  13          1H4         C  13  -0.116  13.127  -5.514
  140   2H4     C  13          2H4         C  13   1.355  13.161  -6.458
  141    H5     C  13           H5         C  13   1.375  13.434  -8.851
  142    H6     C  13           H6         C  13  -0.007  13.732 -10.844
  143   1H5*    A  14          1H5*        A  14  -5.446  16.393 -11.170
  144   2H5*    A  14          2H5*        A  14  -5.977  18.069 -11.405
  145    H4*    A  14           H4*        A  14  -7.068  17.311  -9.420
  146    H3*    A  14           H3*        A  14  -4.621  19.029  -8.853
  147    H2*    A  14           H2*        A  14  -5.081  18.835  -6.547
  148   2HO*    A  14          2HO*        A  14  -7.377  17.627  -6.270
  149    H1*    A  14           H1*        A  14  -6.073  16.234  -6.587
  150    H8     A  14           H8         A  14  -2.747  16.786  -8.358
  151   1H6     A  14          1H6         A  14  -0.046  15.973  -2.892
  152   2H6     A  14          2H6         A  14   0.222  16.172  -4.609
  153    H2     A  14           H2         A  14  -4.490  16.115  -2.243
  154   1H5*    G  15          1H5*        G  15  -8.800  20.487  -6.924
  155   2H5*    G  15          2H5*        G  15  -8.544  22.236  -6.760
  156    H4*    G  15           H4*        G  15  -9.413  21.087  -4.675
  157    H3*    G  15           H3*        G  15  -6.814  22.660  -4.730
  158    H2*    G  15           H2*        G  15  -6.595  22.284  -2.360
  159   2HO*    G  15          2HO*        G  15  -9.050  20.846  -2.329
  160    H1*    G  15           H1*        G  15  -7.013  19.633  -2.476
  161    H8     G  15           H8         G  15  -5.518  20.721  -5.762
  162    H1     G  15           H1         G  15  -1.162  20.135  -1.158
  163   1H2     G  15          1H2         G  15  -2.160  19.845   0.804
  164   2H2     G  15          2H2         G  15  -3.900  19.801   0.974
  165   1H5*    U  16          1H5*        U  16  -8.348  23.838  -1.748
  166   2H5*    U  16          2H5*        U  16  -8.471  25.547  -1.287
  167    H4*    U  16           H4*        U  16  -7.034  24.538   0.325
  168    H3*    U  16           H3*        U  16  -5.447  26.009  -1.828
  169    H2*    U  16           H2*        U  16  -3.514  25.576  -0.511
  170   2HO*    U  16          2HO*        U  16  -4.369  24.328   1.653
  171    H1*    U  16           H1*        U  16  -4.245  22.993   0.226
  172    H3     U  16           H3         U  16  -0.471  22.815  -2.336
  173    H5     U  16           H5         U  16  -3.636  23.289  -5.065
  174    H6     U  16           H6         U  16  -5.120  23.653  -3.195
  175   1H5*    U  17          1H5*        U  17  -2.775  29.011  -0.118
  176   2H5*    U  17          2H5*        U  17  -2.480  27.335   0.384
  177    H4*    U  17           H4*        U  17  -1.637  29.794   1.666
  178    H3*    U  17           H3*        U  17  -0.494  27.376   1.317
  179    H2*    U  17           H2*        U  17  -2.068  26.084   2.572
  180   2HO*    U  17          2HO*        U  17  -0.011  25.719   3.515
  181    H1*    U  17           H1*        U  17  -2.140  28.034   4.852
  182    H3     U  17           H3         U  17  -5.338  25.353   6.519
  183    H5     U  17           H5         U  17  -6.591  26.004   2.547
  184    H6     U  17           H6         U  17  -4.543  27.232   2.170
  185   1H5*    C  18          1H5*        C  18   2.237  25.352   3.469
  186   2H5*    C  18          2H5*        C  18   3.307  26.761   3.616
  187    H4*    C  18           H4*        C  18   4.386  24.746   2.538
  188    H3*    C  18           H3*        C  18   4.767  27.400   1.917
  189    H2*    C  18           H2*        C  18   3.178  27.501   0.129
  190   2HO*    C  18          2HO*        C  18   5.660  27.572  -0.560
  191    H1*    C  18           H1*        C  18   4.114  24.816  -0.893
  192   1H4     C  18          1H4         C  18  -1.025  25.830  -4.493
  193   2H4     C  18          2H4         C  18  -2.034  25.951  -3.071
  194    H5     C  18           H5         C  18  -1.164  25.889  -0.821
  195    H6     C  18           H6         C  18   0.864  25.695   0.542
  196   1H5*    G  19          1H5*        G  19   7.011  22.314   1.191
  197   2H5*    G  19          2H5*        G  19   5.677  23.479   1.305
  198    H4*    G  19           H4*        G  19   7.066  22.341   3.756
  199    H3*    G  19           H3*        G  19   4.758  21.233   2.114
  200    H2*    G  19           H2*        G  19   3.702  20.568   4.120
  201   2HO*    G  19          2HO*        G  19   6.303  20.412   4.988
  202    H1*    G  19           H1*        G  19   4.437  22.760   5.664
  203    H8     G  19           H8         G  19   2.029  23.534   6.014
  204    H1     G  19           H1         G  19   0.429  22.739  -0.105
  205   1H2     G  19          1H2         G  19   2.192  22.028  -1.261
  206   2H2     G  19          2H2         G  19   3.751  21.750  -0.519
  207   1H5*    C  20          1H5*        C  20   5.210  18.755   4.753
  208   2H5*    C  20          2H5*        C  20   4.865  17.046   4.425
  209    H4*    C  20           H4*        C  20   3.134  18.154   5.859
  210    H3*    C  20           H3*        C  20   2.479  16.909   3.182
  211    H2*    C  20           H2*        C  20   0.199  17.563   3.378
  212   2HO*    C  20          2HO*        C  20   0.697  18.527   6.016
  213    H1*    C  20           H1*        C  20   0.603  20.102   4.179
  214   1H4     C  20          1H4         C  20   0.729  20.072  -2.212
  215   2H4     C  20          2H4         C  20   2.462  19.837  -2.159
  216    H5     C  20           H5         C  20   3.682  19.454  -0.131
  217    H6     C  20           H6         C  20   3.522  19.232   2.297
  218   1H5*    U  21          1H5*        U  21  -0.082  15.813   5.621
  219   2H5*    U  21          2H5*        U  21  -0.349  14.204   6.319
  220    H4*    U  21           H4*        U  21  -2.508  14.781   5.682
  221    H3*    U  21           H3*        U  21  -1.153  13.267   3.433
  222    H2*    U  21           H2*        U  21  -3.129  13.524   2.098
  223   2HO*    U  21          2HO*        U  21  -4.559  14.946   4.032
  224    H1*    U  21           H1*        U  21  -3.487  16.147   2.543
  225    H3     U  21           H3         U  21  -1.511  15.853  -1.546
  226    H5     U  21           H5         U  21   1.676  15.577   1.197
  227    H6     U  21           H6         U  21   0.036  15.424   2.984
  228   1H5*    G  22          1H5*        G  22  -4.687  12.411   3.948
  229   2H5*    G  22          2H5*        G  22  -5.515  10.842   3.896
  230    H4*    G  22           H4*        G  22  -6.461  12.258   2.177
  231    H3*    G  22           H3*        G  22  -4.627  10.041   1.199
  232    H2*    G  22           H2*        G  22  -5.048  10.708  -1.010
  233   2HO*    G  22          2HO*        G  22  -6.907  12.012  -1.524
  234    H1*    G  22           H1*        G  22  -5.415  13.443  -0.532
  235    H8     G  22           H8         G  22  -2.180  12.103   0.836
  236    H1     G  22           H1         G  22  -1.895  13.228  -5.427
  237   1H2     G  22          1H2         G  22  -3.922  13.633  -6.228
  238   2H2     G  22          2H2         G  22  -5.348  13.632  -5.211
  239   1H5*    U  23          1H5*        U  23  -7.983  10.521  -0.488
  240   2H5*    U  23          2H5*        U  23  -9.365   9.417  -0.326
  241    H4*    U  23           H4*        U  23  -9.665  10.087  -2.513
  242    H3*    U  23           H3*        U  23  -7.763   7.715  -2.547
  243    H2*    U  23           H2*        U  23  -7.711   7.882  -4.940
  244   2HO*    U  23          2HO*        U  23  -9.176   9.046  -6.078
  245    H1*    U  23           H1*        U  23  -7.273  10.560  -5.013
  246    H3     U  23           H3         U  23  -3.124   8.878  -5.741
  247    H5     U  23           H5         U  23  -3.731   8.373  -1.601
  248    H6     U  23           H6         U  23  -6.026   9.089  -1.909
  249   1H5*    G  24          1H5*        G  24 -11.015   6.165  -4.952
  250   2H5*    G  24          2H5*        G  24 -10.686   4.445  -5.235
  251    H4*    G  24           H4*        G  24 -10.068   6.211  -7.077
  252    H3*    G  24           H3*        G  24  -8.241   3.971  -6.106
  253    H2*    G  24           H2*        G  24  -6.780   4.596  -7.883
  254   2HO*    G  24          2HO*        G  24  -8.259   6.573  -9.050
  255    H1*    G  24           H1*        G  24  -7.165   7.337  -7.595
  256    H8     G  24           H8         G  24  -6.638   6.179  -4.146
  257    H1     G  24           H1         G  24  -1.238   5.938  -7.508
  258   1H2     G  24          1H2         G  24  -1.675   6.123  -9.670
  259   2H2     G  24          2H2         G  24  -3.303   6.300 -10.286
  260   1H5*    C  25          1H5*        C  25  -8.740   2.575 -10.011
  261   2H5*    C  25          2H5*        C  25  -8.169   0.895 -10.041
  262    H4*    C  25           H4*        C  25  -6.590   2.857 -10.840
  263    H3*    C  25           H3*        C  25  -5.845   0.480  -9.089
  264    H2*    C  25           H2*        C  25  -3.648   1.301  -8.985
  265   2HO*    C  25          2HO*        C  25  -3.705   3.230 -10.924
  266    H1*    C  25           H1*        C  25  -4.286   4.061  -9.293
  267   1H4     C  25          1H4         C  25  -1.751   2.915  -3.526
  268   2H4     C  25          2H4         C  25  -3.376   2.845  -2.882
  269    H5     C  25           H5         C  25  -5.346   2.894  -4.268
  270    H6     C  25           H6         C  25  -6.181   3.014  -6.568
  271   1H5*    C  26          1H5*        C  26  -4.226  -0.774 -12.620
  272   2H5*    C  26          2H5*        C  26  -4.736  -2.264 -13.440
  273    H4*    C  26           H4*        C  26  -2.803  -3.061 -12.488
  274    H3*    C  26           H3*        C  26  -4.980  -3.301 -10.394
  275    H2*    C  26           H2*        C  26  -3.422  -3.848  -8.751
  276   2HO*    C  26          2HO*        C  26  -1.376  -4.850  -9.380
  277    H1*    C  26           H1*        C  26  -1.106  -2.694  -9.989
  278   1H4     C  26          1H4         C  26  -1.646   0.457  -4.516
  279   2H4     C  26          2H4         C  26  -3.306   0.888  -4.862
  280    H5     C  26           H5         C  26  -4.469   0.169  -6.844
  281    H6     C  26           H6         C  26  -4.293  -1.112  -8.925
  282   1H5*    G  27          1H5*        G  27  -4.195  -6.007  -9.372
  283   2H5*    G  27          2H5*        G  27  -5.015  -7.561  -9.640
  284    H4*    G  27           H4*        G  27  -5.429  -7.379  -7.392
  285    H3*    G  27           H3*        G  27  -7.572  -5.828  -8.840
  286    H2*    G  27           H2*        G  27  -8.257  -4.727  -6.926
  287   2HO*    G  27          2HO*        G  27  -8.765  -5.880  -5.223
  288    H1*    G  27           H1*        G  27  -5.918  -5.187  -5.290
  289    H8     G  27           H8         G  27  -5.281  -2.883  -8.151
  290    H1     G  27           H1         G  27  -8.270   0.061  -3.347
  291   1H2     G  27          1H2         G  27  -8.999  -1.432  -1.878
  292   2H2     G  27          2H2         G  27  -8.748  -3.151  -2.081
  293   1H5*    A  28          1H5*        A  28  -9.403 -10.414  -6.987
  294   2H5*    A  28          2H5*        A  28 -10.193 -10.357  -5.399
  295    H4*    A  28           H4*        A  28  -7.988 -11.764  -5.754
  296    H3*    A  28           H3*        A  28  -8.883 -10.048  -3.441
  297    H2*    A  28           H2*        A  28  -6.838 -10.060  -2.373
  298   2HO*    A  28          2HO*        A  28  -5.252 -11.805  -3.055
  299    H1*    A  28           H1*        A  28  -5.124 -10.378  -4.567
  300    H8     A  28           H8         A  28  -7.886  -7.709  -4.027
  301   1H6     A  28          1H6         A  28  -3.283  -3.899  -2.547
  302   2H6     A  28          2H6         A  28  -5.013  -4.042  -2.770
  303    H2     A  28           H2         A  28  -1.525  -7.944  -3.401
  304   1H5*    A  29          1H5*        A  29  -6.022 -12.328  -5.048
  305   2H5*    A  29          2H5*        A  29  -6.040 -13.912  -5.848
  306    H4*    A  29           H4*        A  29  -3.843 -13.920  -5.189
  307    H3*    A  29           H3*        A  29  -5.471 -14.897  -2.838
  308    H2*    A  29           H2*        A  29  -3.719 -14.570  -1.366
  309   2HO*    A  29          2HO*        A  29  -2.200 -15.515  -3.565
  310    H1*    A  29           H1*        A  29  -2.034 -12.978  -3.161
  311    H8     A  29           H8         A  29  -5.116 -12.104  -0.974
  312   1H6     A  29          1H6         A  29  -1.107  -9.217   2.710
  313   2H6     A  29          2H6         A  29  -2.796  -9.585   2.440
  314    H2     A  29           H2         A  29   1.202 -11.153  -0.623
  315   1H5*    A  30          1H5*        A  30  -2.013 -17.741  -4.953
  316   2H5*    A  30          2H5*        A  30  -1.519 -19.088  -3.907
  317    H4*    A  30           H4*        A  30   0.282 -17.388  -4.829
  318    H3*    A  30           H3*        A  30   0.059 -18.587  -2.047
  319    H2*    A  30           H2*        A  30   1.982 -17.363  -1.378
  320   2HO*    A  30          2HO*        A  30   2.405 -16.380  -4.002
  321    H1*    A  30           H1*        A  30   1.338 -14.996  -2.548
  322    H8     A  30           H8         A  30  -1.840 -16.532  -1.245
  323   1H6     A  30          1H6         A  30  -0.319 -14.422   4.336
  324   2H6     A  30          2H6         A  30  -1.581 -15.161   3.375
  325    H2     A  30           H2         A  30   3.215 -13.848   1.619
  326   1H5*    G  31          1H5*        G  31   3.838 -18.198  -2.553
  327   2H5*    G  31          2H5*        G  31   4.610 -19.744  -2.956
  328    H4*    G  31           H4*        G  31   6.134 -18.946  -1.417
  329    H3*    G  31           H3*        G  31   3.979 -20.439   0.110
  330    H2*    G  31           H2*        G  31   4.970 -19.824   2.147
  331   2HO*    G  31          2HO*        G  31   7.133 -19.333   2.342
  332    H1*    G  31           H1*        G  31   5.947 -17.313   1.391
  333    H8     G  31           H8         G  31   2.290 -18.104   0.621
  334    H1     G  31           H1         G  31   3.247 -15.847   6.505
  335   1H2     G  31          1H2         G  31   5.420 -15.685   6.911
  336   2H2     G  31          2H2         G  31   6.631 -16.132   5.732
  337   1H5*    G  32          1H5*        G  32   8.659 -21.136   1.002
  338   2H5*    G  32          2H5*        G  32   8.744 -22.645   1.933
  339    H4*    G  32           H4*        G  32   9.814 -20.431   2.895
  340    H3*    G  32           H3*        G  32   8.181 -22.526   4.364
  341    H2*    G  32           H2*        G  32   8.395 -21.275   6.369
  342   2HO*    G  32          2HO*        G  32   9.962 -19.209   5.608
  343    H1*    G  32           H1*        G  32   8.049 -18.776   5.289
  344    H8     G  32           H8         G  32   5.661 -21.207   3.681
  345    H1     G  32           H1         G  32   3.684 -19.234   9.409
  346   1H2     G  32          1H2         G  32   5.303 -18.110  10.425
  347   2H2     G  32          2H2         G  32   6.869 -17.848   9.690
  348   1H5*    U  33          1H5*        U  33  11.309 -22.534   7.145
  349   2H5*    U  33          2H5*        U  33  11.244 -24.153   7.868
  350    H4*    U  33           H4*        U  33  10.317 -22.072   9.200
  351    H3*    U  33           H3*        U  33   9.113 -24.844   8.942
  352    H2*    U  33           H2*        U  33   7.182 -24.172  10.029
  353   2HO*    U  33          2HO*        U  33   7.290 -22.379  11.581
  354    H1*    U  33           H1*        U  33   7.432 -21.339   9.590
  355    H3     U  33           H3         U  33   3.079 -22.779   9.079
  356    H5     U  33           H5         U  33   5.037 -23.579   5.430
  357    H6     U  33           H6         U  33   7.135 -23.038   6.514
  358   1H5*    C  34          1H5*        C  34   9.794 -23.559  12.974
  359   2H5*    C  34          2H5*        C  34  10.712 -24.642  14.041
  360    H4*    C  34           H4*        C  34   8.918 -24.048  15.409
  361    H3*    C  34           H3*        C  34   8.221 -26.552  13.855
  362    H2*    C  34           H2*        C  34   6.115 -26.623  14.860
  363   2HO*    C  34          2HO*        C  34   7.440 -25.605  16.953
  364    H1*    C  34           H1*        C  34   5.672 -23.874  14.954
  365   1H4     C  34          1H4         C  34   2.193 -26.074  10.118
  366   2H4     C  34          2H4         C  34   3.628 -26.294   9.141
  367    H5     C  34           H5         C  34   5.858 -25.915   9.967
  368    H6     C  34           H6         C  34   7.198 -25.236  11.908
  369    H3T    C  34           H3T        C  34   8.337 -26.584  16.596
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -3.455 -28.132  -0.070
    2   2H5*    G   1          2H5*        G   1  -4.978 -27.267   0.224
    3    H4*    G   1           H4*        G   1  -4.993 -28.795   1.975
    4    H3*    G   1           H3*        G   1  -3.744 -26.186   2.831
    5    H2*    G   1           H2*        G   1  -3.063 -27.063   4.905
    6   2HO*    G   1          2HO*        G   1  -3.896 -29.398   5.317
    7    H1*    G   1           H1*        G   1  -2.239 -29.522   4.125
    8    H8     G   1           H8         G   1  -1.307 -26.956   1.506
    9    H1     G   1           H1         G   1   2.662 -26.968   6.497
   10   1H2     G   1          1H2         G   1   1.848 -28.253   8.111
   11   2H2     G   1          2H2         G   1   0.327 -29.105   7.955
   12    H5T    G   1           H5T        G   1  -3.554 -25.675  -0.002
   13   1H5*    G   2          1H5*        G   2  -5.241 -27.897   6.358
   14   2H5*    G   2          2H5*        G   2  -6.857 -27.165   6.426
   15    H4*    G   2           H4*        G   2  -6.378 -27.050   8.662
   16    H3*    G   2           H3*        G   2  -5.076 -24.617   7.402
   17    H2*    G   2           H2*        G   2  -4.146 -24.026   9.506
   18   2HO*    G   2          2HO*        G   2  -4.815 -25.219  11.431
   19    H1*    G   2           H1*        G   2  -3.379 -26.528  10.291
   20    H8     G   2           H8         G   2  -2.961 -25.734   6.569
   21    H1     G   2           H1         G   2   2.063 -24.096  10.126
   22   1H2     G   2          1H2         G   2   1.591 -24.364  12.278
   23   2H2     G   2          2H2         G   2   0.037 -24.947  12.833
   24   1H5*    C   3          1H5*        C   3  -6.550 -22.913  11.002
   25   2H5*    C   3          2H5*        C   3  -6.812 -21.199  10.622
   26    H4*    C   3           H4*        C   3  -4.796 -21.929  12.172
   27    H3*    C   3           H3*        C   3  -4.795 -19.868   9.939
   28    H2*    C   3           H2*        C   3  -2.510 -19.518  10.258
   29   2HO*    C   3          2HO*        C   3  -2.307 -20.712  12.772
   30    H1*    C   3           H1*        C   3  -1.904 -22.078  11.413
   31   1H4     C   3          1H4         C   3   1.461 -21.238   6.042
   32   2H4     C   3          2H4         C   3   0.140 -21.938   5.135
   33    H5     C   3           H5         C   3  -1.985 -22.504   6.123
   34    H6     C   3           H6         C   3  -3.298 -22.516   8.192
   35   1H5*    C   4          1H5*        C   4  -3.442 -18.272  14.356
   36   2H5*    C   4          2H5*        C   4  -4.083 -16.618  14.289
   37    H4*    C   4           H4*        C   4  -1.768 -16.737  15.230
   38    H3*    C   4           H3*        C   4  -2.411 -15.181  12.715
   39    H2*    C   4           H2*        C   4  -0.137 -14.570  12.456
   40   2HO*    C   4          2HO*        C   4   0.174 -14.067  14.718
   41    H1*    C   4           H1*        C   4   1.000 -16.950  13.055
   42   1H4     C   4          1H4         C   4   0.212 -16.823   6.734
   43   2H4     C   4          2H4         C   4  -1.436 -17.383   6.914
   44    H5     C   4           H5         C   4  -2.504 -17.676   9.055
   45    H6     C   4           H6         C   4  -2.223 -17.497  11.483
   46   1H5*    U   5          1H5*        U   5   0.161 -12.192  14.777
   47   2H5*    U   5          2H5*        U   5  -0.794 -10.709  14.574
   48    H4*    U   5           H4*        U   5   1.533 -10.620  13.575
   49    H3*    U   5           H3*        U   5  -0.999 -10.121  11.997
   50    H2*    U   5           H2*        U   5   0.156 -10.063   9.988
   51   2HO*    U   5          2HO*        U   5   1.397  -8.247  10.719
   52    H1*    U   5           H1*        U   5   2.561 -11.402  10.853
   53    H3     U   5           H3         U   5   1.744 -13.082   6.716
   54    H5     U   5           H5         U   5  -1.344 -14.643   9.125
   55    H6     U   5           H6         U   5  -0.583 -13.205  10.916
   56   1H5*    U   6          1H5*        U   6   1.941  -6.476  12.351
   57   2H5*    U   6          2H5*        U   6   1.215  -4.947  11.814
   58    H4*    U   6           H4*        U   6   3.375  -5.675  10.632
   59    H3*    U   6           H3*        U   6   0.800  -4.820   9.324
   60    H2*    U   6           H2*        U   6   1.517  -5.424   7.186
   61   2HO*    U   6          2HO*        U   6   4.123  -5.895   7.371
   62    H1*    U   6           H1*        U   6   3.229  -7.534   7.811
   63    H3     U   6           H3         U   6   0.038  -9.083   4.958
   64    H5     U   6           H5         U   6  -1.849  -8.933   8.724
   65    H6     U   6           H6         U   6   0.108  -7.788   9.587
   66   1H5*    A   7          1H5*        A   7   5.017  -3.781   7.853
   67   2H5*    A   7          2H5*        A   7   5.041  -2.026   7.586
   68    H4*    A   7           H4*        A   7   6.411  -3.181   5.902
   69    H3*    A   7           H3*        A   7   3.981  -1.601   5.184
   70    H2*    A   7           H2*        A   7   3.782  -2.402   3.004
   71   2HO*    A   7          2HO*        A   7   6.475  -3.352   3.176
   72    H1*    A   7           H1*        A   7   4.593  -4.985   3.277
   73    H8     A   7           H8         A   7   2.413  -3.432   6.033
   74   1H6     A   7          1H6         A   7  -2.430  -5.554   2.874
   75   2H6     A   7          2H6         A   7  -1.915  -4.750   4.340
   76    H2     A   7           H2         A   7   1.281  -6.394   0.478
   77   1H5*    G   8          1H5*        G   8   9.320  -0.956   1.984
   78   2H5*    G   8          2H5*        G   8   8.437   0.430   2.653
   79    H4*    G   8           H4*        G   8   8.886   0.266   0.054
   80    H3*    G   8           H3*        G   8   6.379   1.159   1.503
   81    H2*    G   8           H2*        G   8   5.247   1.435  -0.548
   82   2HO*    G   8          2HO*        G   8   7.335   0.944  -2.281
   83    H1*    G   8           H1*        G   8   6.288  -0.739  -1.890
   84    H8     G   8           H8         G   8   5.197  -1.157   1.782
   85    H1     G   8           H1         G   8   0.592  -2.325  -2.471
   86   1H2     G   8          1H2         G   8   1.302  -1.834  -4.513
   87   2H2     G   8          2H2         G   8   2.909  -1.219  -4.828
   88   1H5*    G   9          1H5*        G   9   8.928   2.338  -1.362
   89   2H5*    G   9          2H5*        G   9   9.636   3.944  -1.636
   90    H4*    G   9           H4*        G   9   9.800   2.843  -3.729
   91    H3*    G   9           H3*        G   9   7.577   4.851  -3.494
   92    H2*    G   9           H2*        G   9   6.584   4.242  -5.541
   93   2HO*    G   9          2HO*        G   9   9.095   2.997  -6.087
   94    H1*    G   9           H1*        G   9   6.881   1.550  -5.445
   95    H8     G   9           H8         G   9   6.066   3.622  -2.273
   96    H1     G   9           H1         G   9   1.020   0.944  -5.106
   97   1H2     G   9          1H2         G   9   1.654  -0.083  -6.967
   98   2H2     G   9          2H2         G   9   3.317  -0.107  -7.508
   99   1H5*    A  10          1H5*        A  10   8.186   4.378  -7.598
  100   2H5*    A  10          2H5*        A  10   8.666   5.969  -8.222
  101    H4*    A  10           H4*        A  10   6.750   5.101  -9.483
  102    H3*    A  10           H3*        A  10   6.665   7.606  -7.919
  103    H2*    A  10           H2*        A  10   4.459   7.414  -7.263
  104   2HO*    A  10          2HO*        A  10   4.245   8.338  -9.486
  105    H1*    A  10           H1*        A  10   3.864   5.048  -9.000
  106    H8     A  10           H8         A  10   4.598   5.478  -5.238
  107   1H6     A  10          1H6         A  10  -1.313   4.048  -4.303
  108   2H6     A  10          2H6         A  10   0.214   4.418  -3.535
  109    H2     A  10           H2         A  10  -0.609   4.214  -8.741
  110   1H5*    A  11          1H5*        A  11   4.811   7.446 -13.485
  111   2H5*    A  11          2H5*        A  11   4.400   9.057 -12.859
  112    H4*    A  11           H4*        A  11   2.716   7.754 -14.444
  113    H3*    A  11           H3*        A  11   2.108   9.407 -11.966
  114    H2*    A  11           H2*        A  11  -0.204   8.925 -12.231
  115   2HO*    A  11          2HO*        A  11  -0.063   7.428 -14.541
  116    H1*    A  11           H1*        A  11   0.051   6.275 -12.839
  117    H8     A  11           H8         A  11   2.586   7.119 -10.165
  118   1H6     A  11          1H6         A  11  -2.023   6.868  -6.068
  119   2H6     A  11          2H6         A  11  -0.295   6.998  -6.257
  120    H2     A  11           H2         A  11  -3.796   6.654 -10.185
  121   1H5*    A  12          1H5*        A  12  -1.335   9.391 -14.330
  122   2H5*    A  12          2H5*        A  12  -1.535  11.072 -14.860
  123    H4*    A  12           H4*        A  12  -3.639  10.314 -13.924
  124    H3*    A  12           H3*        A  12  -2.037  12.292 -12.282
  125    H2*    A  12           H2*        A  12  -3.519  12.145 -10.526
  126   2HO*    A  12          2HO*        A  12  -5.559  11.128 -12.223
  127    H1*    A  12           H1*        A  12  -4.582   9.567 -11.008
  128    H8     A  12           H8         A  12  -0.854   9.909 -10.395
  129   1H6     A  12          1H6         A  12  -2.108   9.259  -4.402
  130   2H6     A  12          2H6         A  12  -0.835   9.325  -5.601
  131    H2     A  12           H2         A  12  -5.994   9.757  -6.606
  132   1H5*    C  13          1H5*        C  13  -6.278  14.369 -13.771
  133   2H5*    C  13          2H5*        C  13  -6.163  16.015 -13.116
  134    H4*    C  13           H4*        C  13  -8.159  14.479 -12.389
  135    H3*    C  13           H3*        C  13  -6.433  16.233 -10.610
  136    H2*    C  13           H2*        C  13  -7.704  15.535  -8.721
  137   2HO*    C  13          2HO*        C  13  -9.659  15.349 -10.514
  138    H1*    C  13           H1*        C  13  -7.841  12.888  -9.338
  139   1H4     C  13          1H4         C  13  -2.755  13.536  -5.599
  140   2H4     C  13          2H4         C  13  -1.752  13.773  -7.009
  141    H5     C  13           H5         C  13  -2.641  13.981  -9.234
  142    H6     C  13           H6         C  13  -4.676  14.003 -10.584
  143   1H5*    A  14          1H5*        A  14  -9.775  17.297  -9.046
  144   2H5*    A  14          2H5*        A  14 -10.143  19.020  -9.264
  145    H4*    A  14           H4*        A  14 -10.188  18.812  -6.939
  146    H3*    A  14           H3*        A  14  -7.377  19.594  -7.804
  147    H2*    A  14           H2*        A  14  -6.742  19.608  -5.522
  148   2HO*    A  14          2HO*        A  14  -8.781  20.790  -4.970
  149    H1*    A  14           H1*        A  14  -8.276  17.452  -4.707
  150    H8     A  14           H8         A  14  -6.283  16.922  -7.917
  151   1H6     A  14          1H6         A  14  -1.580  15.250  -4.314
  152   2H6     A  14          2H6         A  14  -2.154  15.360  -5.963
  153    H2     A  14           H2         A  14  -4.870  16.820  -1.683
  154   1H5*    G  15          1H5*        G  15  -9.478  22.255  -4.311
  155   2H5*    G  15          2H5*        G  15  -8.677  23.815  -4.581
  156    H4*    G  15           H4*        G  15  -8.693  22.945  -2.174
  157    H3*    G  15           H3*        G  15  -6.220  23.811  -3.697
  158    H2*    G  15           H2*        G  15  -4.869  23.330  -1.784
  159   2HO*    G  15          2HO*        G  15  -5.678  23.505   0.171
  160    H1*    G  15           H1*        G  15  -5.940  20.915  -1.214
  161    H8     G  15           H8         G  15  -6.083  21.477  -4.935
  162    H1     G  15           H1         G  15  -0.381  19.439  -2.935
  163   1H2     G  15          1H2         G  15  -0.295  19.496  -0.719
  164   2H2     G  15          2H2         G  15  -1.639  20.038   0.261
  165   1H5*    U  16          1H5*        U  16  -3.648  27.402  -2.210
  166   2H5*    U  16          2H5*        U  16  -3.942  25.915  -3.128
  167    H4*    U  16           H4*        U  16  -3.040  25.935  -0.224
  168    H3*    U  16           H3*        U  16  -1.455  26.048  -2.808
  169    H2*    U  16           H2*        U  16   0.127  24.511  -1.903
  170   2HO*    U  16          2HO*        U  16   0.479  24.404   0.193
  171    H1*    U  16           H1*        U  16  -1.654  22.742  -0.902
  172    H3     U  16           H3         U  16   0.406  21.690  -4.996
  173    H5     U  16           H5         U  16  -3.458  23.130  -5.798
  174    H6     U  16           H6         U  16  -3.618  23.815  -3.499
  175   1H5*    U  17          1H5*        U  17   2.574  27.964  -2.701
  176   2H5*    U  17          2H5*        U  17   2.360  26.294  -2.144
  177    H4*    U  17           H4*        U  17   4.480  28.165  -1.516
  178    H3*    U  17           H3*        U  17   4.382  25.493  -1.935
  179    H2*    U  17           H2*        U  17   3.058  24.883  -0.048
  180   2HO*    U  17          2HO*        U  17   4.550  24.174   1.609
  181    H1*    U  17           H1*        U  17   4.512  26.686   1.849
  182    H3     U  17           H3         U  17   1.358  25.470   4.801
  183    H5     U  17           H5         U  17  -0.881  26.538   1.392
  184    H6     U  17           H6         U  17   1.203  26.886   0.214
  185   1H5*    C  18          1H5*        C  18   6.826  22.603  -1.098
  186   2H5*    C  18          2H5*        C  18   8.280  23.436  -1.681
  187    H4*    C  18           H4*        C  18   7.730  21.247  -2.858
  188    H3*    C  18           H3*        C  18   8.895  23.518  -3.884
  189    H2*    C  18           H2*        C  18   6.891  24.504  -4.742
  190   2HO*    C  18          2HO*        C  18   8.484  23.335  -6.521
  191    H1*    C  18           H1*        C  18   5.963  21.813  -5.757
  192   1H4     C  18          1H4         C  18   0.980  25.715  -6.688
  193   2H4     C  18          2H4         C  18   0.620  25.615  -4.979
  194    H5     C  18           H5         C  18   2.057  24.513  -3.390
  195    H6     C  18           H6         C  18   4.150  23.273  -3.095
  196   1H5*    G  19          1H5*        G  19   8.032  17.995  -4.752
  197   2H5*    G  19          2H5*        G  19   7.528  19.643  -4.329
  198    H4*    G  19           H4*        G  19   9.368  18.036  -2.534
  199    H3*    G  19           H3*        G  19   6.326  17.981  -2.706
  200    H2*    G  19           H2*        G  19   6.272  17.798  -0.356
  201   2HO*    G  19          2HO*        G  19   8.925  17.530   0.224
  202    H1*    G  19           H1*        G  19   8.488  19.432   0.164
  203    H8     G  19           H8         G  19   7.023  20.873   1.667
  204    H1     G  19           H1         G  19   2.442  21.544  -2.722
  205   1H2     G  19          1H2         G  19   2.989  20.395  -4.549
  206   2H2     G  19          2H2         G  19   4.467  19.477  -4.676
  207   1H5*    C  20          1H5*        C  20   7.052  15.568   0.004
  208   2H5*    C  20          2H5*        C  20   5.931  14.202   0.163
  209    H4*    C  20           H4*        C  20   5.741  15.951   1.983
  210    H3*    C  20           H3*        C  20   3.430  15.076   0.234
  211    H2*    C  20           H2*        C  20   1.974  16.619   1.304
  212   2HO*    C  20          2HO*        C  20   2.318  17.334   3.301
  213    H1*    C  20           H1*        C  20   3.612  18.764   1.278
  214   1H4     C  20          1H4         C  20   0.558  18.788  -4.333
  215   2H4     C  20          2H4         C  20   1.837  17.808  -5.017
  216    H5     C  20           H5         C  20   3.627  16.884  -3.724
  217    H6     C  20           H6         C  20   4.594  16.686  -1.485
  218   1H5*    U  21          1H5*        U  21   2.080  15.453   3.530
  219   2H5*    U  21          2H5*        U  21   1.903  14.154   4.729
  220    H4*    U  21           H4*        U  21  -0.055  15.281   5.144
  221    H3*    U  21           H3*        U  21  -0.553  13.304   2.913
  222    H2*    U  21           H2*        U  21  -2.761  14.132   2.585
  223   2HO*    U  21          2HO*        U  21  -2.655  16.002   4.666
  224    H1*    U  21           H1*        U  21  -2.187  16.779   2.684
  225    H3     U  21           H3         U  21  -2.675  15.957  -1.742
  226    H5     U  21           H5         U  21   1.146  14.439  -0.839
  227    H6     U  21           H6         U  21   0.681  14.852   1.504
  228   1H5*    G  22          1H5*        G  22  -3.467  13.194   4.736
  229   2H5*    G  22          2H5*        G  22  -4.352  11.810   5.403
  230    H4*    G  22           H4*        G  22  -5.824  12.627   3.780
  231    H3*    G  22           H3*        G  22  -4.094  10.440   2.560
  232    H2*    G  22           H2*        G  22  -5.222  10.745   0.534
  233   2HO*    G  22          2HO*        G  22  -7.330  12.073   0.725
  234    H1*    G  22           H1*        G  22  -5.876  13.472   0.880
  235    H8     G  22           H8         G  22  -2.199  12.667   1.047
  236    H1     G  22           H1         G  22  -4.354  13.198  -4.925
  237   1H2     G  22          1H2         G  22  -6.568  13.302  -4.928
  238   2H2     G  22          2H2         G  22  -7.513  13.239  -3.456
  239   1H5*    U  23          1H5*        U  23  -7.869  10.356   2.078
  240   2H5*    U  23          2H5*        U  23  -8.981   9.135   2.729
  241    H4*    U  23           H4*        U  23  -9.988   9.522   0.688
  242    H3*    U  23           H3*        U  23  -7.862   7.392   0.232
  243    H2*    U  23           H2*        U  23  -8.610   7.286  -2.046
  244   2HO*    U  23          2HO*        U  23 -10.550   7.984  -2.660
  245    H1*    U  23           H1*        U  23  -8.626   9.983  -2.434
  246    H3     U  23           H3         U  23  -4.752   8.818  -4.494
  247    H5     U  23           H5         U  23  -3.860   8.530  -0.379
  248    H6     U  23           H6         U  23  -6.203   8.929   0.102
  249   1H5*    G  24          1H5*        G  24 -11.489   5.194  -0.834
  250   2H5*    G  24          2H5*        G  24 -10.990   3.521  -1.157
  251    H4*    G  24           H4*        G  24 -11.353   5.216  -3.146
  252    H3*    G  24           H3*        G  24  -9.000   3.297  -2.845
  253    H2*    G  24           H2*        G  24  -8.338   3.981  -5.022
  254   2HO*    G  24          2HO*        G  24 -10.743   5.434  -5.407
  255    H1*    G  24           H1*        G  24  -9.086   6.661  -4.715
  256    H8     G  24           H8         G  24  -7.101   5.782  -1.711
  257    H1     G  24           H1         G  24  -3.449   6.327  -6.889
  258   1H2     G  24          1H2         G  24  -4.705   6.382  -8.709
  259   2H2     G  24          2H2         G  24  -6.450   6.279  -8.646
  260   1H5*    C  25          1H5*        C  25 -10.129   2.030  -6.772
  261   2H5*    C  25          2H5*        C  25  -9.436   0.396  -6.820
  262    H4*    C  25           H4*        C  25  -8.304   2.370  -8.166
  263    H3*    C  25           H3*        C  25  -6.922   0.213  -6.518
  264    H2*    C  25           H2*        C  25  -4.862   1.212  -6.986
  265   2HO*    C  25          2HO*        C  25  -6.062   1.549  -9.414
  266    H1*    C  25           H1*        C  25  -5.863   3.856  -7.526
  267   1H4     C  25          1H4         C  25  -1.663   4.123  -2.725
  268   2H4     C  25          2H4         C  25  -2.961   3.793  -1.598
  269    H5     C  25           H5         C  25  -5.200   3.230  -2.298
  270    H6     C  25           H6         C  25  -6.668   2.859  -4.225
  271   1H5*    C  26          1H5*        C  26  -5.889  -1.191 -10.496
  272   2H5*    C  26          2H5*        C  26  -6.161  -2.937 -10.673
  273    H4*    C  26           H4*        C  26  -3.775  -2.525 -10.773
  274    H3*    C  26           H3*        C  26  -4.930  -3.952  -8.410
  275    H2*    C  26           H2*        C  26  -3.197  -3.365  -6.997
  276   2HO*    C  26          2HO*        C  26  -1.491  -4.535  -7.396
  277    H1*    C  26           H1*        C  26  -1.670  -1.880  -9.085
  278   1H4     C  26          1H4         C  26  -0.198   1.448  -3.891
  279   2H4     C  26          2H4         C  26  -1.853   1.413  -3.329
  280    H5     C  26           H5         C  26  -3.620   0.275  -4.501
  281    H6     C  26           H6         C  26  -4.184  -1.081  -6.462
  282   1H5*    G  27          1H5*        G  27  -3.304  -5.778  -7.516
  283   2H5*    G  27          2H5*        G  27  -3.548  -7.531  -7.685
  284    H4*    G  27           H4*        G  27  -4.194  -7.348  -5.499
  285    H3*    G  27           H3*        G  27  -6.546  -6.844  -7.247
  286    H2*    G  27           H2*        G  27  -7.584  -5.369  -5.818
  287   2HO*    G  27          2HO*        G  27  -7.999  -6.066  -3.669
  288    H1*    G  27           H1*        G  27  -5.544  -5.454  -3.666
  289    H8     G  27           H8         G  27  -5.283  -2.959  -6.490
  290    H1     G  27           H1         G  27  -8.654  -0.771  -1.535
  291   1H2     G  27          1H2         G  27  -9.069  -2.419  -0.112
  292   2H2     G  27          2H2         G  27  -8.515  -4.056  -0.382
  293   1H5*    A  28          1H5*        A  28  -4.440  -9.513  -8.009
  294   2H5*    A  28          2H5*        A  28  -4.197 -11.270  -7.945
  295    H4*    A  28           H4*        A  28  -2.200 -10.239  -7.078
  296    H3*    A  28           H3*        A  28  -4.041 -11.513  -5.039
  297    H2*    A  28           H2*        A  28  -2.647 -10.831  -3.272
  298   2HO*    A  28          2HO*        A  28  -0.459 -10.138  -3.692
  299    H1*    A  28           H1*        A  28  -1.808  -8.391  -4.301
  300    H8     A  28           H8         A  28  -5.556  -9.196  -4.482
  301   1H6     A  28          1H6         A  28  -5.984  -6.547   1.063
  302   2H6     A  28          2H6         A  28  -6.884  -7.244  -0.265
  303    H2     A  28           H2         A  28  -1.631  -6.811  -0.036
  304   1H5*    A  29          1H5*        A  29   0.371 -12.169  -5.567
  305   2H5*    A  29          2H5*        A  29   0.955 -13.788  -5.132
  306    H4*    A  29           H4*        A  29   2.455 -11.848  -4.430
  307    H3*    A  29           H3*        A  29   1.372 -13.936  -2.516
  308    H2*    A  29           H2*        A  29   2.413 -12.870  -0.712
  309   2HO*    A  29          2HO*        A  29   4.373 -12.602  -2.424
  310    H1*    A  29           H1*        A  29   2.310 -10.224  -1.670
  311    H8     A  29           H8         A  29  -0.917 -12.262  -1.523
  312   1H6     A  29          1H6         A  29  -1.562 -10.201   4.244
  313   2H6     A  29          2H6         A  29  -2.321 -11.100   2.950
  314    H2     A  29           H2         A  29   2.457  -8.876   2.729
  315   1H5*    A  30          1H5*        A  30   6.286 -13.357  -2.822
  316   2H5*    A  30          2H5*        A  30   6.912 -14.698  -1.842
  317    H4*    A  30           H4*        A  30   7.628 -12.215  -1.305
  318    H3*    A  30           H3*        A  30   6.940 -14.478   0.574
  319    H2*    A  30           H2*        A  30   7.086 -13.061   2.464
  320   2HO*    A  30          2HO*        A  30   8.359 -11.214   0.690
  321    H1*    A  30           H1*        A  30   5.813 -10.886   1.462
  322    H8     A  30           H8         A  30   4.119 -13.951   0.070
  323   1H6     A  30          1H6         A  30   1.012 -14.357   5.370
  324   2H6     A  30          2H6         A  30   1.147 -14.966   3.735
  325    H2     A  30           H2         A  30   4.228 -11.257   5.873
  326   1H5*    G  31          1H5*        G  31   9.213 -12.636   2.955
  327   2H5*    G  31          2H5*        G  31  10.811 -13.406   2.982
  328    H4*    G  31           H4*        G  31  10.450 -13.267   5.252
  329    H3*    G  31           H3*        G  31   9.124 -15.832   4.311
  330    H2*    G  31           H2*        G  31   8.320 -16.216   6.491
  331   2HO*    G  31          2HO*        G  31   9.973 -15.969   7.848
  332    H1*    G  31           H1*        G  31   7.872 -13.551   7.216
  333    H8     G  31           H8         G  31   6.493 -14.657   3.836
  334    H1     G  31           H1         G  31   2.596 -15.911   8.722
  335   1H2     G  31          1H2         G  31   3.626 -15.494  10.641
  336   2H2     G  31          2H2         G  31   5.272 -14.908  10.716
  337   1H5*    G  32          1H5*        G  32  11.633 -16.783   7.873
  338   2H5*    G  32          2H5*        G  32  11.929 -18.533   7.889
  339    H4*    G  32           H4*        G  32  10.416 -17.420   9.750
  340    H3*    G  32           H3*        G  32   9.973 -20.030   8.263
  341    H2*    G  32           H2*        G  32   7.919 -20.313   9.298
  342   2HO*    G  32          2HO*        G  32   9.090 -18.762  11.353
  343    H1*    G  32           H1*        G  32   7.253 -17.620   9.734
  344    H8     G  32           H8         G  32   7.964 -18.552   6.143
  345    H1     G  32           H1         G  32   2.106 -20.237   8.010
  346   1H2     G  32          1H2         G  32   1.896 -19.946  10.199
  347   2H2     G  32          2H2         G  32   3.198 -19.336  11.196
  348   1H5*    U  33          1H5*        U  33   9.113 -20.344  12.260
  349   2H5*    U  33          2H5*        U  33  10.312 -21.327  13.124
  350    H4*    U  33           H4*        U  33   8.411 -22.067  14.188
  351    H3*    U  33           H3*        U  33   8.788 -23.767  11.705
  352    H2*    U  33           H2*        U  33   6.738 -24.870  12.116
  353   2HO*    U  33          2HO*        U  33   5.737 -24.871  14.094
  354    H1*    U  33           H1*        U  33   5.253 -22.715  12.827
  355    H3     U  33           H3         U  33   3.680 -23.620   8.711
  356    H5     U  33           H5         U  33   7.579 -22.199   7.974
  357    H6     U  33           H6         U  33   7.938 -22.122  10.371
  358   1H5*    C  34          1H5*        C  34   7.003 -26.465  14.664
  359   2H5*    C  34          2H5*        C  34   8.146 -27.822  14.705
  360    H4*    C  34           H4*        C  34   5.927 -28.705  14.283
  361    H3*    C  34           H3*        C  34   7.769 -28.629  11.873
  362    H2*    C  34           H2*        C  34   6.125 -29.664  10.592
  363   2HO*    C  34          2HO*        C  34   4.561 -30.980  11.443
  364    H1*    C  34           H1*        C  34   3.901 -28.548  11.949
  365   1H4     C  34          1H4         C  34   3.971 -25.813   6.218
  366   2H4     C  34          2H4         C  34   5.479 -25.003   6.577
  367    H5     C  34           H5         C  34   6.701 -25.332   8.626
  368    H6     C  34           H6         C  34   6.742 -26.509  10.770
  369    H3T    C  34           H3T        C  34   7.587 -30.990  12.487
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -6.873 -26.219   0.888
    2   2H5*    G   1          2H5*        G   1  -7.445 -24.554   1.112
    3    H4*    G   1           H4*        G   1  -8.739 -25.871   2.612
    4    H3*    G   1           H3*        G   1  -6.601 -24.161   3.786
    5    H2*    G   1           H2*        G   1  -6.522 -25.217   5.880
    6   2HO*    G   1          2HO*        G   1  -8.303 -26.739   6.440
    7    H1*    G   1           H1*        G   1  -6.855 -27.805   5.209
    8    H8     G   1           H8         G   1  -4.824 -26.491   2.394
    9    H1     G   1           H1         G   1  -1.374 -26.973   7.735
   10   1H2     G   1          1H2         G   1  -2.710 -27.318   9.471
   11   2H2     G   1          2H2         G   1  -4.449 -27.430   9.311
   12    H5T    G   1           H5T        G   1  -5.304 -24.360   1.201
   13   1H5*    G   2          1H5*        G   2  -8.225 -24.480   7.423
   14   2H5*    G   2          2H5*        G   2  -9.229 -23.019   7.530
   15    H4*    G   2           H4*        G   2  -8.013 -22.785   9.480
   16    H3*    G   2           H3*        G   2  -6.461 -21.496   7.223
   17    H2*    G   2           H2*        G   2  -4.618 -21.132   8.607
   18   2HO*    G   2          2HO*        G   2  -4.923 -21.211  10.975
   19    H1*    G   2           H1*        G   2  -4.930 -23.311  10.354
   20    H8     G   2           H8         G   2  -4.848 -24.012   6.608
   21    H1     G   2           H1         G   2   0.940 -23.683   9.258
   22   1H2     G   2          1H2         G   2   0.775 -23.000  11.360
   23   2H2     G   2          2H2         G   2  -0.761 -22.626  12.110
   24   1H5*    C   3          1H5*        C   3  -6.908 -18.887  11.299
   25   2H5*    C   3          2H5*        C   3  -6.452 -17.252  10.778
   26    H4*    C   3           H4*        C   3  -5.145 -18.433  12.748
   27    H3*    C   3           H3*        C   3  -4.046 -16.773  10.461
   28    H2*    C   3           H2*        C   3  -1.841 -17.140  11.220
   29   2HO*    C   3          2HO*        C   3  -1.759 -18.359  13.425
   30    H1*    C   3           H1*        C   3  -2.115 -19.767  12.011
   31   1H4     C   3          1H4         C   3   0.576 -19.729   6.230
   32   2H4     C   3          2H4         C   3  -1.001 -19.591   5.487
   33    H5     C   3           H5         C   3  -3.035 -19.312   6.749
   34    H6     C   3           H6         C   3  -3.994 -19.102   8.994
   35   1H5*    C   4          1H5*        C   4  -2.092 -15.926  14.242
   36   2H5*    C   4          2H5*        C   4  -2.273 -14.191  14.572
   37    H4*    C   4           H4*        C   4   0.010 -14.833  15.073
   38    H3*    C   4           H3*        C   4  -0.453 -13.142  12.604
   39    H2*    C   4           H2*        C   4   1.861 -13.191  12.090
   40   2HO*    C   4          2HO*        C   4   2.815 -14.646  14.193
   41    H1*    C   4           H1*        C   4   2.327 -15.805  12.566
   42   1H4     C   4          1H4         C   4   0.717 -15.526   6.419
   43   2H4     C   4          2H4         C   4  -0.974 -15.365   6.837
   44    H5     C   4           H5         C   4  -1.761 -15.175   9.106
   45    H6     C   4           H6         C   4  -1.097 -15.097  11.465
   46   1H5*    U   5          1H5*        U   5   3.436 -12.323  13.602
   47   2H5*    U   5          2H5*        U   5   3.361 -10.720  14.358
   48    H4*    U   5           H4*        U   5   5.112 -10.410  12.867
   49    H3*    U   5           H3*        U   5   2.523  -9.698  11.436
   50    H2*    U   5           H2*        U   5   3.791  -9.182   9.503
   51   2HO*    U   5          2HO*        U   5   5.907  -8.990  11.364
   52    H1*    U   5           H1*        U   5   5.597 -11.253   9.691
   53    H3     U   5           H3         U   5   3.361 -12.639   6.073
   54    H5     U   5           H5         U   5   0.399 -12.643   9.072
   55    H6     U   5           H6         U   5   2.033 -11.691  10.592
   56   1H5*    U   6          1H5*        U   6   5.635  -7.261  10.532
   57   2H5*    U   6          2H5*        U   6   5.244  -5.553  10.246
   58    H4*    U   6           H4*        U   6   6.317  -6.774   8.284
   59    H3*    U   6           H3*        U   6   3.669  -5.312   8.143
   60    H2*    U   6           H2*        U   6   3.255  -6.125   6.015
   61   2HO*    U   6          2HO*        U   6   6.090  -6.111   5.642
   62    H1*    U   6           H1*        U   6   5.270  -8.242   6.045
   63    H3     U   6           H3         U   6   1.861  -9.965   3.597
   64    H5     U   6           H5         U   6   0.289  -9.646   7.492
   65    H6     U   6           H6         U   6   2.310  -8.473   8.140
   66   1H5*    A   7          1H5*        A   7   7.334  -4.762   5.532
   67   2H5*    A   7          2H5*        A   7   7.669  -3.026   5.371
   68    H4*    A   7           H4*        A   7   8.483  -3.966   3.358
   69    H3*    A   7           H3*        A   7   5.707  -2.783   3.060
   70    H2*    A   7           H2*        A   7   5.651  -3.422   0.790
   71   2HO*    A   7          2HO*        A   7   8.451  -3.982   0.962
   72    H1*    A   7           H1*        A   7   6.902  -5.867   1.041
   73    H8     A   7           H8         A   7   4.315  -5.009   3.724
   74   1H6     A   7          1H6         A   7   0.079  -7.359  -0.079
   75   2H6     A   7          2H6         A   7   0.368  -6.709   1.519
   76    H2     A   7           H2         A   7   4.012  -7.272  -2.255
   77   1H5*    G   8          1H5*        G   8   9.433  -0.628  -1.358
   78   2H5*    G   8          2H5*        G   8  10.454  -0.472   0.086
   79    H4*    G   8           H4*        G   8   9.198   1.620  -0.524
   80    H3*    G   8           H3*        G   8   9.552   0.459   2.035
   81    H2*    G   8           H2*        G   8   7.333   0.041   2.579
   82   2HO*    G   8          2HO*        G   8   7.682   1.880   3.840
   83    H1*    G   8           H1*        G   8   6.208   2.145   0.771
   84    H8     G   8           H8         G   8   5.976  -1.468  -0.167
   85    H1     G   8           H1         G   8   1.035   0.427   3.397
   86   1H2     G   8          1H2         G   8   1.436   2.440   4.238
   87   2H2     G   8          2H2         G   8   2.919   3.313   3.920
   88   1H5*    G   9          1H5*        G   9  10.690   3.537  -0.675
   89   2H5*    G   9          2H5*        G   9   9.841   4.998  -1.219
   90    H4*    G   9           H4*        G   9  10.903   3.357  -2.982
   91    H3*    G   9           H3*        G   9   8.336   4.912  -3.043
   92    H2*    G   9           H2*        G   9   7.471   3.764  -4.918
   93   2HO*    G   9          2HO*        G   9   9.079   2.199  -5.988
   94    H1*    G   9           H1*        G   9   8.239   1.240  -4.339
   95    H8     G   9           H8         G   9   7.385   3.010  -1.111
   96    H1     G   9           H1         G   9   2.247   0.853  -4.207
   97   1H2     G   9          1H2         G   9   2.817   0.162  -6.236
   98   2H2     G   9          2H2         G   9   4.461   0.236  -6.827
   99   1H5*    A  10          1H5*        A  10   8.829   3.764  -6.983
  100   2H5*    A  10          2H5*        A  10   9.176   5.264  -7.870
  101    H4*    A  10           H4*        A  10   7.311   4.083  -8.928
  102    H3*    A  10           H3*        A  10   7.031   6.767  -7.698
  103    H2*    A  10           H2*        A  10   4.834   6.496  -7.053
  104   2HO*    A  10          2HO*        A  10   4.400   7.143  -9.223
  105    H1*    A  10           H1*        A  10   4.485   3.841  -8.386
  106    H8     A  10           H8         A  10   5.223   4.639  -4.716
  107   1H6     A  10          1H6         A  10  -0.726   3.453  -3.609
  108   2H6     A  10          2H6         A  10   0.820   3.836  -2.883
  109    H2     A  10           H2         A  10  -0.071   3.267  -8.050
  110   1H5*    A  11          1H5*        A  11   5.091   5.801 -13.181
  111   2H5*    A  11          2H5*        A  11   4.786   7.493 -12.731
  112    H4*    A  11           H4*        A  11   2.963   6.102 -14.068
  113    H3*    A  11           H3*        A  11   2.561   8.047 -11.765
  114    H2*    A  11           H2*        A  11   0.224   7.656 -11.867
  115   2HO*    A  11          2HO*        A  11   0.852   6.739 -14.461
  116    H1*    A  11           H1*        A  11   0.326   4.942 -12.263
  117    H8     A  11           H8         A  11   2.935   5.880  -9.693
  118   1H6     A  11          1H6         A  11  -1.602   6.171  -5.539
  119   2H6     A  11          2H6         A  11   0.125   6.199  -5.767
  120    H2     A  11           H2         A  11  -3.460   5.722  -9.611
  121   1H5*    A  12          1H5*        A  12  -0.810   8.292 -13.895
  122   2H5*    A  12          2H5*        A  12  -0.978   9.944 -14.518
  123    H4*    A  12           H4*        A  12  -3.029   9.421 -13.388
  124    H3*    A  12           H3*        A  12  -1.149  11.257 -11.875
  125    H2*    A  12           H2*        A  12  -2.518  11.233 -10.024
  126   2HO*    A  12          2HO*        A  12  -4.524  11.049 -11.968
  127    H1*    A  12           H1*        A  12  -3.863   8.772 -10.466
  128    H8     A  12           H8         A  12  -0.105   8.738  -9.994
  129   1H6     A  12          1H6         A  12  -1.158   8.347  -3.940
  130   2H6     A  12          2H6         A  12   0.064   8.266  -5.191
  131    H2     A  12           H2         A  12  -5.073   9.156  -5.997
  132   1H5*    C  13          1H5*        C  13  -5.246  13.643 -13.320
  133   2H5*    C  13          2H5*        C  13  -5.080  15.278 -12.648
  134    H4*    C  13           H4*        C  13  -7.132  13.797 -11.950
  135    H3*    C  13           H3*        C  13  -5.372  15.514 -10.175
  136    H2*    C  13           H2*        C  13  -6.590  14.806  -8.270
  137   2HO*    C  13          2HO*        C  13  -8.527  13.324  -8.839
  138    H1*    C  13           H1*        C  13  -6.829  12.198  -8.882
  139   1H4     C  13          1H4         C  13  -1.729  12.872  -5.154
  140   2H4     C  13          2H4         C  13  -0.715  12.968  -6.576
  141    H5     C  13           H5         C  13  -1.601  13.068  -8.823
  142    H6     C  13           H6         C  13  -3.642  13.097 -10.169
  143   1H5*    A  14          1H5*        A  14  -9.908  16.984  -9.462
  144   2H5*    A  14          2H5*        A  14  -9.608  18.682  -9.040
  145    H4*    A  14           H4*        A  14 -10.960  17.321  -7.349
  146    H3*    A  14           H3*        A  14  -8.446  18.882  -6.669
  147    H2*    A  14           H2*        A  14  -8.684  18.222  -4.383
  148   2HO*    A  14          2HO*        A  14 -11.314  17.823  -5.179
  149    H1*    A  14           H1*        A  14  -9.177  15.617  -4.828
  150    H8     A  14           H8         A  14  -6.845  16.706  -7.552
  151   1H6     A  14          1H6         A  14  -2.204  16.014  -3.569
  152   2H6     A  14          2H6         A  14  -2.627  16.278  -5.245
  153    H2     A  14           H2         A  14  -6.059  15.729  -1.281
  154   1H5*    G  15          1H5*        G  15 -10.298  19.430  -3.507
  155   2H5*    G  15          2H5*        G  15 -10.972  21.064  -3.366
  156    H4*    G  15           H4*        G  15  -9.946  20.805  -1.294
  157    H3*    G  15           H3*        G  15  -8.001  22.117  -3.229
  158    H2*    G  15           H2*        G  15  -6.349  22.157  -1.509
  159   2HO*    G  15          2HO*        G  15  -8.494  21.460   0.255
  160    H1*    G  15           H1*        G  15  -6.769  19.635  -0.550
  161    H8     G  15           H8         G  15  -7.226  19.741  -4.320
  162    H1     G  15           H1         G  15  -1.144  19.196  -2.547
  163   1H2     G  15          1H2         G  15  -0.952  19.494  -0.356
  164   2H2     G  15          2H2         G  15  -2.330  19.833   0.667
  165   1H5*    U  16          1H5*        U  16  -6.266  26.291  -2.354
  166   2H5*    U  16          2H5*        U  16  -6.250  24.673  -3.075
  167    H4*    U  16           H4*        U  16  -5.062  25.294  -0.347
  168    H3*    U  16           H3*        U  16  -3.870  25.476  -3.134
  169    H2*    U  16           H2*        U  16  -1.834  24.552  -2.315
  170   2HO*    U  16          2HO*        U  16  -1.902  24.077   0.145
  171    H1*    U  16           H1*        U  16  -2.933  22.553  -0.842
  172    H3     U  16           H3         U  16  -1.057  21.289  -4.937
  173    H5     U  16           H5         U  16  -5.206  21.738  -5.492
  174    H6     U  16           H6         U  16  -5.326  22.748  -3.321
  175   1H5*    U  17          1H5*        U  17  -0.401  28.380  -3.622
  176   2H5*    U  17          2H5*        U  17  -0.270  26.801  -2.826
  177    H4*    U  17           H4*        U  17   1.443  29.124  -2.561
  178    H3*    U  17           H3*        U  17   1.878  26.454  -2.605
  179    H2*    U  17           H2*        U  17   0.739  25.866  -0.597
  180   2HO*    U  17          2HO*        U  17   2.880  26.537   0.960
  181    H1*    U  17           H1*        U  17   1.817  28.174   0.974
  182    H3     U  17           H3         U  17  -1.061  27.086   4.216
  183    H5     U  17           H5         U  17  -3.377  26.618   0.724
  184    H6     U  17           H6         U  17  -1.418  27.190  -0.572
  185   1H5*    C  18          1H5*        C  18   5.075  24.355  -1.504
  186   2H5*    C  18          2H5*        C  18   6.227  25.418  -2.338
  187    H4*    C  18           H4*        C  18   6.222  23.005  -3.126
  188    H3*    C  18           H3*        C  18   6.630  25.307  -4.599
  189    H2*    C  18           H2*        C  18   4.386  25.504  -5.413
  190   2HO*    C  18          2HO*        C  18   4.407  24.389  -7.546
  191    H1*    C  18           H1*        C  18   4.293  22.510  -5.855
  192   1H4     C  18          1H4         C  18  -1.714  24.244  -7.080
  193   2H4     C  18          2H4         C  18  -1.912  24.776  -5.425
  194    H5     C  18           H5         C  18  -0.109  24.810  -3.826
  195    H6     C  18           H6         C  18   2.270  24.340  -3.468
  196   1H5*    G  19          1H5*        G  19   7.282  19.682  -4.615
  197   2H5*    G  19          2H5*        G  19   6.391  21.186  -4.314
  198    H4*    G  19           H4*        G  19   8.653  20.247  -2.516
  199    H3*    G  19           H3*        G  19   5.689  19.556  -2.453
  200    H2*    G  19           H2*        G  19   5.796  19.627  -0.091
  201   2HO*    G  19          2HO*        G  19   8.644  19.574  -0.375
  202    H1*    G  19           H1*        G  19   7.599  21.756   0.095
  203    H8     G  19           H8         G  19   5.933  23.137   1.438
  204    H1     G  19           H1         G  19   1.094  21.999  -2.558
  205   1H2     G  19          1H2         G  19   1.783  20.699  -4.223
  206   2H2     G  19          2H2         G  19   3.427  20.117  -4.342
  207   1H5*    C  20          1H5*        C  20   6.980  17.602   0.323
  208   2H5*    C  20          2H5*        C  20   6.312  15.985   0.618
  209    H4*    C  20           H4*        C  20   5.673  17.662   2.367
  210    H3*    C  20           H3*        C  20   3.641  16.187   0.686
  211    H2*    C  20           H2*        C  20   1.844  17.361   1.717
  212   2HO*    C  20          2HO*        C  20   3.824  18.240   3.589
  213    H1*    C  20           H1*        C  20   2.891  19.839   1.590
  214   1H4     C  20          1H4         C  20  -0.144  18.644  -3.929
  215   2H4     C  20          2H4         C  20   1.394  18.221  -4.646
  216    H5     C  20           H5         C  20   3.437  18.058  -3.389
  217    H6     C  20           H6         C  20   4.454  18.268  -1.170
  218   1H5*    U  21          1H5*        U  21   2.171  16.300   3.913
  219   2H5*    U  21          2H5*        U  21   2.331  15.039   5.151
  220    H4*    U  21           H4*        U  21   0.136  15.573   5.523
  221    H3*    U  21           H3*        U  21   0.170  13.570   3.250
  222    H2*    U  21           H2*        U  21  -2.182  13.802   2.993
  223   2HO*    U  21          2HO*        U  21  -3.425  14.972   4.567
  224    H1*    U  21           H1*        U  21  -2.323  16.500   3.218
  225    H3     U  21           H3         U  21  -2.954  15.715  -1.197
  226    H5     U  21           H5         U  21   1.200  15.267  -0.644
  227    H6     U  21           H6         U  21   0.833  15.437   1.749
  228   1H5*    G  22          1H5*        G  22  -2.804  12.906   5.281
  229   2H5*    G  22          2H5*        G  22  -3.389  11.290   5.723
  230    H4*    G  22           H4*        G  22  -5.060  12.287   4.306
  231    H3*    G  22           H3*        G  22  -3.330  10.184   2.955
  232    H2*    G  22           H2*        G  22  -4.530  10.487   0.969
  233   2HO*    G  22          2HO*        G  22  -6.631  11.502   0.993
  234    H1*    G  22           H1*        G  22  -5.142  13.201   1.275
  235    H8     G  22           H8         G  22  -1.479  12.322   1.609
  236    H1     G  22           H1         G  22  -3.368  12.903  -4.447
  237   1H2     G  22          1H2         G  22  -5.575  13.065  -4.542
  238   2H2     G  22          2H2         G  22  -6.581  13.033  -3.111
  239   1H5*    U  23          1H5*        U  23  -7.142  10.114   2.603
  240   2H5*    U  23          2H5*        U  23  -8.224   8.863   3.249
  241    H4*    U  23           H4*        U  23  -9.309   9.407   1.268
  242    H3*    U  23           H3*        U  23  -7.341   7.156   0.711
  243    H2*    U  23           H2*        U  23  -8.152   7.127  -1.550
  244   2HO*    U  23          2HO*        U  23 -10.109   7.808  -2.011
  245    H1*    U  23           H1*        U  23  -7.963   9.808  -1.925
  246    H3     U  23           H3         U  23  -4.188   8.278  -3.956
  247    H5     U  23           H5         U  23  -3.292   8.126   0.163
  248    H6     U  23           H6         U  23  -5.601   8.689   0.632
  249   1H5*    G  24          1H5*        G  24 -11.117   5.293  -0.225
  250   2H5*    G  24          2H5*        G  24 -10.860   3.559  -0.503
  251    H4*    G  24           H4*        G  24 -11.022   5.154  -2.559
  252    H3*    G  24           H3*        G  24  -8.807   3.098  -2.147
  253    H2*    G  24           H2*        G  24  -8.064   3.643  -4.339
  254   2HO*    G  24          2HO*        G  24 -10.678   4.749  -4.629
  255    H1*    G  24           H1*        G  24  -8.659   6.380  -4.163
  256    H8     G  24           H8         G  24  -6.760   5.534  -1.096
  257    H1     G  24           H1         G  24  -3.039   5.612  -6.249
  258   1H2     G  24          1H2         G  24  -4.271   5.653  -8.080
  259   2H2     G  24          2H2         G  24  -6.019   5.656  -8.034
  260   1H5*    C  25          1H5*        C  25  -9.769   2.093  -6.304
  261   2H5*    C  25          2H5*        C  25  -9.304   0.383  -6.250
  262    H4*    C  25           H4*        C  25  -7.846   2.119  -7.598
  263    H3*    C  25           H3*        C  25  -6.868  -0.122  -5.790
  264    H2*    C  25           H2*        C  25  -4.677   0.573  -6.127
  265   2HO*    C  25          2HO*        C  25  -4.105   1.707  -8.119
  266    H1*    C  25           H1*        C  25  -5.292   3.277  -6.951
  267   1H4     C  25          1H4         C  25  -1.287   3.564  -1.991
  268   2H4     C  25          2H4         C  25  -2.645   3.388  -0.903
  269    H5     C  25           H5         C  25  -4.889   2.937  -1.660
  270    H6     C  25           H6         C  25  -6.309   2.555  -3.623
  271   1H5*    C  26          1H5*        C  26  -4.612  -0.301  -8.869
  272   2H5*    C  26          2H5*        C  26  -4.700  -1.767  -9.865
  273    H4*    C  26           H4*        C  26  -2.407  -1.599  -9.543
  274    H3*    C  26           H3*        C  26  -3.686  -3.398  -7.530
  275    H2*    C  26           H2*        C  26  -2.098  -2.979  -5.904
  276   2HO*    C  26          2HO*        C  26  -0.441  -3.719  -8.081
  277    H1*    C  26           H1*        C  26  -0.435  -1.226  -7.669
  278   1H4     C  26          1H4         C  26   0.752   1.305  -1.969
  279   2H4     C  26          2H4         C  26  -0.920   1.139  -1.484
  280    H5     C  26           H5         C  26  -2.606   0.164  -2.889
  281    H6     C  26           H6         C  26  -3.062  -0.872  -5.056
  282   1H5*    G  27          1H5*        G  27  -2.109  -5.206  -6.673
  283   2H5*    G  27          2H5*        G  27  -2.277  -6.937  -7.023
  284    H4*    G  27           H4*        G  27  -3.160  -6.959  -4.912
  285    H3*    G  27           H3*        G  27  -5.359  -6.283  -6.834
  286    H2*    G  27           H2*        G  27  -6.674  -5.252  -5.247
  287   2HO*    G  27          2HO*        G  27  -7.416  -6.688  -3.905
  288    H1*    G  27           H1*        G  27  -4.730  -5.236  -3.051
  289    H8     G  27           H8         G  27  -4.301  -2.566  -5.623
  290    H1     G  27           H1         G  27  -8.722  -1.042  -1.284
  291   1H2     G  27          1H2         G  27  -9.227  -2.823  -0.059
  292   2H2     G  27          2H2         G  27  -8.475  -4.381  -0.312
  293   1H5*    A  28          1H5*        A  28  -3.628  -8.470  -7.827
  294   2H5*    A  28          2H5*        A  28  -3.260 -10.111  -8.393
  295    H4*    A  28           H4*        A  28  -1.510  -9.618  -6.882
  296    H3*    A  28           H3*        A  28  -3.717 -11.262  -5.607
  297    H2*    A  28           H2*        A  28  -2.597 -11.213  -3.543
  298   2HO*    A  28          2HO*        A  28  -0.459 -11.424  -5.097
  299    H1*    A  28           H1*        A  28  -1.429  -8.675  -3.767
  300    H8     A  28           H8         A  28  -5.178  -9.464  -4.344
  301   1H6     A  28          1H6         A  28  -6.012  -7.567   1.458
  302   2H6     A  28          2H6         A  28  -6.805  -8.143   0.009
  303    H2     A  28           H2         A  28  -1.608  -7.432   0.563
  304   1H5*    A  29          1H5*        A  29   0.594 -12.444  -6.640
  305   2H5*    A  29          2H5*        A  29   1.174 -14.102  -6.377
  306    H4*    A  29           H4*        A  29   2.845 -12.346  -5.726
  307    H3*    A  29           H3*        A  29   1.726 -14.315  -3.709
  308    H2*    A  29           H2*        A  29   3.024 -13.347  -2.009
  309   2HO*    A  29          2HO*        A  29   4.517 -11.824  -3.887
  310    H1*    A  29           H1*        A  29   2.888 -10.705  -2.829
  311    H8     A  29           H8         A  29  -0.409 -12.625  -2.808
  312   1H6     A  29          1H6         A  29  -0.865 -11.140   3.155
  313   2H6     A  29          2H6         A  29  -1.684 -11.874   1.794
  314    H2     A  29           H2         A  29   3.173  -9.819   1.688
  315   1H5*    A  30          1H5*        A  30   6.668 -14.491  -4.248
  316   2H5*    A  30          2H5*        A  30   7.028 -16.041  -3.461
  317    H4*    A  30           H4*        A  30   8.331 -13.902  -2.706
  318    H3*    A  30           H3*        A  30   7.050 -15.994  -0.913
  319    H2*    A  30           H2*        A  30   7.783 -14.803   0.993
  320   2HO*    A  30          2HO*        A  30   9.418 -13.279   0.914
  321    H1*    A  30           H1*        A  30   7.299 -12.259   0.069
  322    H8     A  30           H8         A  30   4.442 -14.501  -0.907
  323   1H6     A  30          1H6         A  30   2.149 -13.633   4.740
  324   2H6     A  30          2H6         A  30   1.825 -14.271   3.143
  325    H2     A  30           H2         A  30   6.326 -11.974   4.660
  326   1H5*    G  31          1H5*        G  31  10.027 -14.919   1.317
  327   2H5*    G  31          2H5*        G  31  11.297 -16.149   1.162
  328    H4*    G  31           H4*        G  31  11.283 -15.976   3.451
  329    H3*    G  31           H3*        G  31   9.077 -17.927   2.723
  330    H2*    G  31           H2*        G  31   8.406 -18.044   4.969
  331   2HO*    G  31          2HO*        G  31  10.912 -16.878   5.703
  332    H1*    G  31           H1*        G  31   9.062 -15.418   5.727
  333    H8     G  31           H8         G  31   6.910 -15.967   2.607
  334    H1     G  31           H1         G  31   3.582 -15.543   8.031
  335   1H2     G  31          1H2         G  31   4.960 -15.508   9.766
  336   2H2     G  31          2H2         G  31   6.698 -15.588   9.586
  337   1H5*    G  32          1H5*        G  32  11.540 -19.718   6.243
  338   2H5*    G  32          2H5*        G  32  11.255 -21.462   6.063
  339    H4*    G  32           H4*        G  32  10.464 -20.244   8.252
  340    H3*    G  32           H3*        G  32   8.966 -22.287   6.591
  341    H2*    G  32           H2*        G  32   7.057 -22.033   7.881
  342   2HO*    G  32          2HO*        G  32   7.146 -21.394  10.070
  343    H1*    G  32           H1*        G  32   7.464 -19.388   8.788
  344    H8     G  32           H8         G  32   7.317 -19.973   5.044
  345    H1     G  32           H1         G  32   1.555 -19.446   7.715
  346   1H2     G  32          1H2         G  32   1.744 -19.414   9.924
  347   2H2     G  32          2H2         G  32   3.289 -19.523  10.737
  348   1H5*    U  33          1H5*        U  33   9.157 -22.714  10.868
  349   2H5*    U  33          2H5*        U  33   9.271 -24.359  11.527
  350    H4*    U  33           H4*        U  33   7.518 -23.022  12.663
  351    H3*    U  33           H3*        U  33   6.820 -25.502  11.078
  352    H2*    U  33           H2*        U  33   4.518 -25.189  11.471
  353   2HO*    U  33          2HO*        U  33   5.340 -23.353  13.501
  354    H1*    U  33           H1*        U  33   4.389 -22.483  11.188
  355    H3     U  33           H3         U  33   2.271 -24.243   7.582
  356    H5     U  33           H5         U  33   6.373 -24.646   6.695
  357    H6     U  33           H6         U  33   6.868 -23.903   8.949
  358   1H5*    C  34          1H5*        C  34   3.882 -25.355  13.752
  359   2H5*    C  34          2H5*        C  34   4.188 -26.625  14.951
  360    H4*    C  34           H4*        C  34   1.992 -27.117  14.464
  361    H3*    C  34           H3*        C  34   3.667 -28.489  12.344
  362    H2*    C  34           H2*        C  34   1.724 -29.296  11.329
  363   2HO*    C  34          2HO*        C  34   0.888 -29.650  13.744
  364    H1*    C  34           H1*        C  34   0.114 -27.064  11.868
  365   1H4     C  34          1H4         C  34   1.526 -26.520   5.708
  366   2H4     C  34          2H4         C  34   3.240 -26.433   6.051
  367    H5     C  34           H5         C  34   4.152 -26.625   8.276
  368    H6     C  34           H6         C  34   3.619 -26.943  10.643
  369    H3T    C  34           H3T        C  34   2.355 -29.152  14.769
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  -8.212 -28.074   2.896
    2   2H5*    G   1          2H5*        G   1  -9.459 -27.014   3.583
    3    H4*    G   1           H4*        G   1  -8.988 -28.202   5.484
    4    H3*    G   1           H3*        G   1  -6.944 -25.978   5.309
    5    H2*    G   1           H2*        G   1  -5.757 -26.849   7.152
    6   2HO*    G   1          2HO*        G   1  -7.969 -28.589   7.655
    7    H1*    G   1           H1*        G   1  -5.979 -29.514   6.588
    8    H8     G   1           H8         G   1  -5.303 -27.694   3.381
    9    H1     G   1           H1         G   1  -0.064 -28.368   6.954
   10   1H2     G   1          1H2         G   1  -0.618 -29.073   8.981
   11   2H2     G   1          2H2         G   1  -2.275 -29.376   9.452
   12    H5T    G   1           H5T        G   1  -7.958 -25.403   3.801
   13   1H5*    G   2          1H5*        G   2  -7.574 -27.209   9.238
   14   2H5*    G   2          2H5*        G   2  -8.621 -25.970   9.959
   15    H4*    G   2           H4*        G   2  -7.210 -26.449  11.743
   16    H3*    G   2           H3*        G   2  -5.969 -24.199  10.118
   17    H2*    G   2           H2*        G   2  -4.166 -24.143  11.663
   18   2HO*    G   2          2HO*        G   2  -4.442 -24.650  13.712
   19    H1*    G   2           H1*        G   2  -3.893 -26.861  11.978
   20    H8     G   2           H8         G   2  -4.573 -25.586   8.427
   21    H1     G   2           H1         G   2   1.604 -25.658  10.003
   22   1H2     G   2          1H2         G   2   1.833 -26.182  12.146
   23   2H2     G   2          2H2         G   2   0.465 -26.516  13.184
   24   1H5*    C   3          1H5*        C   3  -5.599 -22.553  13.998
   25   2H5*    C   3          2H5*        C   3  -5.572 -20.792  13.775
   26    H4*    C   3           H4*        C   3  -3.360 -22.089  14.425
   27    H3*    C   3           H3*        C   3  -3.709 -19.844  12.411
   28    H2*    C   3           H2*        C   3  -1.488 -20.054  11.755
   29   2HO*    C   3          2HO*        C   3  -1.107 -19.982  14.316
   30    H1*    C   3           H1*        C   3  -1.084 -22.758  12.711
   31   1H4     C   3          1H4         C   3   0.418 -22.382   6.503
   32   2H4     C   3          2H4         C   3  -1.248 -22.748   6.112
   33    H5     C   3           H5         C   3  -2.991 -22.895   7.767
   34    H6     C   3           H6         C   3  -3.514 -22.724  10.155
   35   1H5*    C   4          1H5*        C   4  -1.509 -17.750  16.301
   36   2H5*    C   4          2H5*        C   4  -1.799 -16.032  15.960
   37    H4*    C   4           H4*        C   4   0.658 -16.825  16.199
   38    H3*    C   4           H3*        C   4  -0.478 -15.121  13.961
   39    H2*    C   4           H2*        C   4   1.644 -15.046  12.924
   40   2HO*    C   4          2HO*        C   4   2.579 -15.846  15.483
   41    H1*    C   4           H1*        C   4   2.403 -17.636  13.368
   42   1H4     C   4          1H4         C   4  -0.017 -17.408   7.482
   43   2H4     C   4          2H4         C   4  -1.642 -17.491   8.126
   44    H5     C   4           H5         C   4  -2.130 -17.455  10.485
   45    H6     C   4           H6         C   4  -1.166 -17.331  12.736
   46   1H5*    U   5          1H5*        U   5   3.510 -13.477  14.555
   47   2H5*    U   5          2H5*        U   5   3.161 -11.780  14.943
   48    H4*    U   5           H4*        U   5   4.750 -11.829  13.115
   49    H3*    U   5           H3*        U   5   1.913 -11.007  12.442
   50    H2*    U   5           H2*        U   5   2.395 -10.946  10.176
   51   2HO*    U   5          2HO*        U   5   4.044  -9.365  10.473
   52    H1*    U   5           H1*        U   5   4.688 -12.655  10.177
   53    H3     U   5           H3         U   5   2.390 -14.271   6.665
   54    H5     U   5           H5         U   5  -0.217 -14.890   9.919
   55    H6     U   5           H6         U   5   1.352 -13.692  11.318
   56   1H5*    U   6          1H5*        U   6   5.144  -8.006  11.700
   57   2H5*    U   6          2H5*        U   6   4.696  -6.289  11.634
   58    H4*    U   6           H4*        U   6   5.901  -7.057   9.583
   59    H3*    U   6           H3*        U   6   3.076  -5.989   9.489
   60    H2*    U   6           H2*        U   6   2.855  -6.490   7.225
   61   2HO*    U   6          2HO*        U   6   4.543  -6.364   5.807
   62    H1*    U   6           H1*        U   6   4.724  -8.614   7.045
   63    H3     U   6           H3         U   6   0.937 -10.201   5.148
   64    H5     U   6           H5         U   6   0.012  -9.959   9.254
   65    H6     U   6           H6         U   6   2.151  -8.863   9.605
   66   1H5*    A   7          1H5*        A   7   6.418  -5.198   7.218
   67   2H5*    A   7          2H5*        A   7   7.058  -3.550   7.054
   68    H4*    A   7           H4*        A   7   7.807  -4.713   5.119
   69    H3*    A   7           H3*        A   7   5.485  -2.842   4.715
   70    H2*    A   7           H2*        A   7   5.094  -3.538   2.509
   71   2HO*    A   7          2HO*        A   7   7.106  -5.249   1.995
   72    H1*    A   7           H1*        A   7   5.526  -6.210   2.762
   73    H8     A   7           H8         A   7   3.783  -4.388   5.662
   74   1H6     A   7          1H6         A   7  -1.516  -5.694   2.804
   75   2H6     A   7          2H6         A   7  -0.794  -5.000   4.239
   76    H2     A   7           H2         A   7   1.866  -7.055   0.173
   77   1H5*    G   8          1H5*        G   8  10.599  -2.518   1.102
   78   2H5*    G   8          2H5*        G   8   9.916  -1.107   1.935
   79    H4*    G   8           H4*        G   8  10.112  -1.129  -0.699
   80    H3*    G   8           H3*        G   8   7.850  -0.117   1.042
   81    H2*    G   8           H2*        G   8   6.543   0.377  -0.850
   82   2HO*    G   8          2HO*        G   8   8.992   0.830  -1.944
   83    H1*    G   8           H1*        G   8   7.298  -1.750  -2.457
   84    H8     G   8           H8         G   8   6.366  -2.130   1.285
   85    H1     G   8           H1         G   8   1.597  -3.272  -2.792
   86   1H2     G   8          1H2         G   8   2.257  -2.866  -4.870
   87   2H2     G   8          2H2         G   8   3.873  -2.315  -5.250
   88   1H5*    G   9          1H5*        G   9  10.645   2.041  -2.058
   89   2H5*    G   9          2H5*        G   9  10.337   3.754  -2.413
   90    H4*    G   9           H4*        G   9  10.746   2.205  -4.423
   91    H3*    G   9           H3*        G   9   8.548   4.213  -4.059
   92    H2*    G   9           H2*        G   9   7.299   3.467  -5.910
   93   2HO*    G   9          2HO*        G   9   8.821   1.614  -7.081
   94    H1*    G   9           H1*        G   9   7.636   0.792  -5.705
   95    H8     G   9           H8         G   9   7.301   2.745  -2.406
   96    H1     G   9           H1         G   9   1.775   0.636  -4.791
   97   1H2     G   9          1H2         G   9   2.104  -0.257  -6.795
   98   2H2     G   9          2H2         G   9   3.685  -0.331  -7.542
   99   1H5*    A  10          1H5*        A  10   9.259   3.729  -7.969
  100   2H5*    A  10          2H5*        A  10   9.306   5.200  -8.963
  101    H4*    A  10           H4*        A  10   7.526   3.600  -9.686
  102    H3*    A  10           H3*        A  10   6.865   6.374  -8.671
  103    H2*    A  10           H2*        A  10   4.596   5.929  -8.686
  104   2HO*    A  10          2HO*        A  10   4.551   3.835 -10.490
  105    H1*    A  10           H1*        A  10   4.768   3.034  -8.788
  106    H8     A  10           H8         A  10   5.705   4.937  -5.658
  107   1H6     A  10          1H6         A  10  -0.191   4.492  -3.941
  108   2H6     A  10          2H6         A  10   1.413   4.976  -3.442
  109    H2     A  10           H2         A  10   0.162   2.968  -8.157
  110   1H5*    A  11          1H5*        A  11   5.374   4.582 -14.376
  111   2H5*    A  11          2H5*        A  11   5.624   6.300 -14.002
  112    H4*    A  11           H4*        A  11   3.355   5.471 -15.121
  113    H3*    A  11           H3*        A  11   3.701   7.521 -12.890
  114    H2*    A  11           H2*        A  11   1.341   7.858 -12.942
  115   2HO*    A  11          2HO*        A  11   1.654   7.074 -15.521
  116    H1*    A  11           H1*        A  11   0.647   5.212 -13.160
  117    H8     A  11           H8         A  11   3.570   6.063 -10.782
  118   1H6     A  11          1H6         A  11  -0.706   6.839  -6.421
  119   2H6     A  11          2H6         A  11   1.007   6.803  -6.751
  120    H2     A  11           H2         A  11  -2.813   6.076 -10.312
  121   1H5*    A  12          1H5*        A  12   0.318   8.392 -15.272
  122   2H5*    A  12          2H5*        A  12   0.377  10.122 -15.661
  123    H4*    A  12           H4*        A  12  -1.729   9.453 -14.489
  124    H3*    A  12           H3*        A  12   0.188  11.450 -13.245
  125    H2*    A  12           H2*        A  12  -1.105  11.567 -11.342
  126   2HO*    A  12          2HO*        A  12  -3.425  10.990 -11.470
  127    H1*    A  12           H1*        A  12  -2.402   9.043 -11.514
  128    H8     A  12           H8         A  12   1.364   9.112 -11.169
  129   1H6     A  12          1H6         A  12   0.524   9.347  -5.077
  130   2H6     A  12          2H6         A  12   1.704   9.150  -6.354
  131    H2     A  12           H2         A  12  -3.469   9.887  -7.067
  132   1H5*    C  13          1H5*        C  13  -4.052  13.591 -14.730
  133   2H5*    C  13          2H5*        C  13  -3.948  15.268 -14.155
  134    H4*    C  13           H4*        C  13  -5.918  13.703 -13.348
  135    H3*    C  13           H3*        C  13  -4.289  15.701 -11.755
  136    H2*    C  13           H2*        C  13  -5.442  15.093  -9.769
  137   2HO*    C  13          2HO*        C  13  -7.217  13.295 -10.377
  138    H1*    C  13           H1*        C  13  -5.442  12.406 -10.129
  139   1H4     C  13          1H4         C  13  -0.271  13.808  -6.710
  140   2H4     C  13          2H4         C  13   0.681  13.728  -8.173
  141    H5     C  13           H5         C  13  -0.293  13.496 -10.365
  142    H6     C  13           H6         C  13  -2.381  13.290 -11.617
  143   1H5*    A  14          1H5*        A  14  -7.934  15.181  -9.835
  144   2H5*    A  14          2H5*        A  14  -8.774  16.740  -9.952
  145    H4*    A  14           H4*        A  14  -8.861  16.029  -7.645
  146    H3*    A  14           H3*        A  14  -6.891  18.266  -8.242
  147    H2*    A  14           H2*        A  14  -6.356  18.364  -5.944
  148   2HO*    A  14          2HO*        A  14  -8.165  16.599  -4.909
  149    H1*    A  14           H1*        A  14  -6.508  15.655  -5.402
  150    H8     A  14           H8         A  14  -4.586  16.610  -8.550
  151   1H6     A  14          1H6         A  14   0.355  17.327  -4.965
  152   2H6     A  14          2H6         A  14  -0.230  17.290  -6.612
  153    H2     A  14           H2         A  14  -3.196  16.597  -2.308
  154   1H5*    G  15          1H5*        G  15  -9.757  18.394  -4.796
  155   2H5*    G  15          2H5*        G  15 -10.438  20.026  -4.660
  156    H4*    G  15           H4*        G  15  -9.819  19.082  -2.450
  157    H3*    G  15           H3*        G  15  -8.467  21.569  -3.532
  158    H2*    G  15           H2*        G  15  -7.073  21.703  -1.605
  159   2HO*    G  15          2HO*        G  15  -7.491  20.091   0.151
  160    H1*    G  15           H1*        G  15  -6.395  19.083  -1.445
  161    H8     G  15           H8         G  15  -6.899  20.205  -5.049
  162    H1     G  15           H1         G  15  -1.023  21.279  -2.845
  163   1H2     G  15          1H2         G  15  -0.951  20.918  -0.656
  164   2H2     G  15          2H2         G  15  -2.354  20.413   0.259
  165   1H5*    U  16          1H5*        U  16  -8.743  25.593  -1.337
  166   2H5*    U  16          2H5*        U  16  -8.010  24.423  -2.447
  167    H4*    U  16           H4*        U  16  -7.314  24.590   0.508
  168    H3*    U  16           H3*        U  16  -6.196  26.062  -1.898
  169    H2*    U  16           H2*        U  16  -3.994  25.797  -1.036
  170   2HO*    U  16          2HO*        U  16  -3.809  24.742   1.143
  171    H1*    U  16           H1*        U  16  -4.212  23.186  -0.319
  172    H3     U  16           H3         U  16  -1.792  24.046  -4.220
  173    H5     U  16           H5         U  16  -5.716  23.009  -5.342
  174    H6     U  16           H6         U  16  -6.354  23.175  -3.034
  175   1H5*    U  17          1H5*        U  17  -4.264  29.844  -1.438
  176   2H5*    U  17          2H5*        U  17  -3.551  28.281  -0.999
  177    H4*    U  17           H4*        U  17  -2.740  30.949  -0.197
  178    H3*    U  17           H3*        U  17  -1.407  28.680  -0.831
  179    H2*    U  17           H2*        U  17  -2.132  27.314   0.980
  180   2HO*    U  17          2HO*        U  17   0.031  28.754   2.174
  181    H1*    U  17           H1*        U  17  -1.830  29.464   3.038
  182    H3     U  17           H3         U  17  -3.796  26.584   5.853
  183    H5     U  17           H5         U  17  -6.282  26.435   2.451
  184    H6     U  17           H6         U  17  -4.738  27.926   1.339
  185   1H5*    C  18          1H5*        C  18   2.689  28.028  -0.335
  186   2H5*    C  18          2H5*        C  18   3.068  29.705  -0.784
  187    H4*    C  18           H4*        C  18   4.102  27.854  -2.242
  188    H3*    C  18           H3*        C  18   3.373  30.427  -2.896
  189    H2*    C  18           H2*        C  18   1.181  29.899  -3.700
  190   2HO*    C  18          2HO*        C  18   2.098  30.879  -5.470
  191    H1*    C  18           H1*        C  18   2.258  27.451  -5.108
  192   1H4     C  18          1H4         C  18  -4.026  26.724  -5.796
  193   2H4     C  18          2H4         C  18  -4.242  26.726  -4.060
  194    H5     C  18           H5         C  18  -2.445  27.118  -2.504
  195    H6     C  18           H6         C  18  -0.052  27.595  -2.279
  196   1H5*    G  19          1H5*        G  19   6.338  25.976  -4.659
  197   2H5*    G  19          2H5*        G  19   4.918  26.789  -3.971
  198    H4*    G  19           H4*        G  19   7.485  26.422  -2.393
  199    H3*    G  19           H3*        G  19   5.158  24.500  -2.789
  200    H2*    G  19           H2*        G  19   5.348  23.891  -0.515
  201   2HO*    G  19          2HO*        G  19   7.459  25.124   0.450
  202    H1*    G  19           H1*        G  19   5.998  26.412   0.476
  203    H8     G  19           H8         G  19   3.932  26.441   1.976
  204    H1     G  19           H1         G  19   0.000  24.540  -2.668
  205   1H2     G  19          1H2         G  19   1.145  24.247  -4.555
  206   2H2     G  19          2H2         G  19   2.868  24.519  -4.658
  207   1H5*    C  20          1H5*        C  20   7.472  22.661  -0.650
  208   2H5*    C  20          2H5*        C  20   7.546  20.890  -0.746
  209    H4*    C  20           H4*        C  20   6.394  21.727   1.317
  210    H3*    C  20           H3*        C  20   4.997  19.968  -0.712
  211    H2*    C  20           H2*        C  20   2.976  20.053   0.550
  212   2HO*    C  20          2HO*        C  20   4.650  20.365   2.605
  213    H1*    C  20           H1*        C  20   2.928  22.701   0.987
  214   1H4     C  20          1H4         C  20   0.223  21.611  -4.709
  215   2H4     C  20          2H4         C  20   1.772  21.905  -5.472
  216    H5     C  20           H5         C  20   3.806  22.231  -4.245
  217    H6     C  20           H6         C  20   4.810  22.384  -2.021
  218   1H5*    U  21          1H5*        U  21   4.417  18.469   2.832
  219   2H5*    U  21          2H5*        U  21   4.748  16.793   3.315
  220    H4*    U  21           H4*        U  21   2.443  17.191   3.815
  221    H3*    U  21           H3*        U  21   2.887  15.595   1.270
  222    H2*    U  21           H2*        U  21   0.498  15.390   1.077
  223   2HO*    U  21          2HO*        U  21   0.395  16.615   3.660
  224    H1*    U  21           H1*        U  21  -0.057  17.977   1.479
  225    H3     U  21           H3         U  21  -0.281  17.187  -3.018
  226    H5     U  21           H5         U  21   3.760  18.106  -2.246
  227    H6     U  21           H6         U  21   3.268  17.963   0.129
  228   1H5*    G  22          1H5*        G  22   0.068  14.502   3.590
  229   2H5*    G  22          2H5*        G  22  -0.429  12.834   3.930
  230    H4*    G  22           H4*        G  22  -2.277  14.199   2.980
  231    H3*    G  22           H3*        G  22  -1.185  11.797   1.492
  232    H2*    G  22           H2*        G  22  -2.687  12.170  -0.273
  233   2HO*    G  22          2HO*        G  22  -4.191  14.022   1.263
  234    H1*    G  22           H1*        G  22  -2.792  14.930  -0.190
  235    H8     G  22           H8         G  22   0.743  13.727  -0.165
  236    H1     G  22           H1         G  22  -1.849  13.461  -5.975
  237   1H2     G  22          1H2         G  22  -4.035  13.796  -5.853
  238   2H2     G  22          2H2         G  22  -4.855  14.087  -4.334
  239   1H5*    U  23          1H5*        U  23  -4.928  12.193   1.521
  240   2H5*    U  23          2H5*        U  23  -6.031  11.204   2.499
  241    H4*    U  23           H4*        U  23  -7.344  11.499   0.624
  242    H3*    U  23           H3*        U  23  -5.595   9.061   0.140
  243    H2*    U  23           H2*        U  23  -6.666   8.801  -1.992
  244   2HO*    U  23          2HO*        U  23  -8.744   9.302  -1.884
  245    H1*    U  23           H1*        U  23  -6.411  11.393  -2.749
  246    H3     U  23           H3         U  23  -2.976   9.440  -4.989
  247    H5     U  23           H5         U  23  -1.613   9.672  -1.007
  248    H6     U  23           H6         U  23  -3.822  10.424  -0.354
  249   1H5*    G  24          1H5*        G  24  -9.555   7.420  -0.115
  250   2H5*    G  24          2H5*        G  24  -9.470   5.648  -0.174
  251    H4*    G  24           H4*        G  24  -9.751   6.967  -2.403
  252    H3*    G  24           H3*        G  24  -7.663   4.790  -1.945
  253    H2*    G  24           H2*        G  24  -7.135   4.983  -4.250
  254   2HO*    G  24          2HO*        G  24  -9.348   6.670  -4.760
  255    H1*    G  24           H1*        G  24  -7.544   7.756  -4.412
  256    H8     G  24           H8         G  24  -5.312   7.187  -1.513
  257    H1     G  24           H1         G  24  -2.262   6.381  -7.041
  258   1H2     G  24          1H2         G  24  -3.717   6.245  -8.706
  259   2H2     G  24          2H2         G  24  -5.445   6.351  -8.451
  260   1H5*    C  25          1H5*        C  25  -9.297   3.168  -5.502
  261   2H5*    C  25          2H5*        C  25  -8.979   1.435  -5.302
  262    H4*    C  25           H4*        C  25  -7.594   2.848  -7.045
  263    H3*    C  25           H3*        C  25  -6.834   0.562  -5.278
  264    H2*    C  25           H2*        C  25  -4.640   1.227  -5.045
  265   2HO*    C  25          2HO*        C  25  -4.422   1.861  -7.788
  266    H1*    C  25           H1*        C  25  -4.850   3.590  -6.845
  267   1H4     C  25          1H4         C  25  -0.412   5.091  -2.537
  268   2H4     C  25          2H4         C  25  -1.643   5.212  -1.299
  269    H5     C  25           H5         C  25  -3.954   4.629  -1.677
  270    H6     C  25           H6         C  25  -5.575   3.805  -3.327
  271   1H5*    C  26          1H5*        C  26  -5.768  -0.347  -9.436
  272   2H5*    C  26          2H5*        C  26  -6.209  -1.921 -10.129
  273    H4*    C  26           H4*        C  26  -3.860  -1.966 -10.166
  274    H3*    C  26           H3*        C  26  -5.059  -3.421  -7.838
  275    H2*    C  26           H2*        C  26  -3.174  -3.175  -6.525
  276   2HO*    C  26          2HO*        C  26  -1.129  -3.618  -8.163
  277    H1*    C  26           H1*        C  26  -1.625  -1.732  -8.636
  278   1H4     C  26          1H4         C  26   0.715   0.931  -3.368
  279   2H4     C  26          2H4         C  26  -0.872   1.004  -2.635
  280    H5     C  26           H5         C  26  -2.861   0.171  -3.705
  281    H6     C  26           H6         C  26  -3.756  -0.914  -5.712
  282   1H5*    G  27          1H5*        G  27  -3.568  -5.460  -7.146
  283   2H5*    G  27          2H5*        G  27  -4.004  -7.163  -7.411
  284    H4*    G  27           H4*        G  27  -4.448  -7.088  -5.172
  285    H3*    G  27           H3*        G  27  -6.858  -6.364  -6.693
  286    H2*    G  27           H2*        G  27  -7.537  -4.634  -5.321
  287   2HO*    G  27          2HO*        G  27  -7.711  -6.914  -3.785
  288    H1*    G  27           H1*        G  27  -5.561  -5.197  -3.146
  289    H8     G  27           H8         G  27  -5.186  -2.542  -5.848
  290    H1     G  27           H1         G  27  -7.600  -0.286  -0.391
  291   1H2     G  27          1H2         G  27  -8.057  -1.963   0.987
  292   2H2     G  27          2H2         G  27  -7.769  -3.636   0.560
  293   1H5*    A  28          1H5*        A  28  -5.452  -8.891  -7.317
  294   2H5*    A  28          2H5*        A  28  -5.409 -10.637  -7.632
  295    H4*    A  28           H4*        A  28  -3.367 -10.299  -6.554
  296    H3*    A  28           H3*        A  28  -5.493 -11.037  -4.514
  297    H2*    A  28           H2*        A  28  -3.899 -10.841  -2.788
  298   2HO*    A  28          2HO*        A  28  -1.741 -10.619  -4.613
  299    H1*    A  28           H1*        A  28  -2.447  -8.706  -3.842
  300    H8     A  28           H8         A  28  -6.304  -8.651  -3.685
  301   1H6     A  28          1H6         A  28  -5.622  -5.772   1.717
  302   2H6     A  28          2H6         A  28  -6.774  -6.325   0.522
  303    H2     A  28           H2         A  28  -1.542  -6.926   0.220
  304   1H5*    A  29          1H5*        A  29  -1.633 -12.860  -5.312
  305   2H5*    A  29          2H5*        A  29  -1.303 -14.563  -4.932
  306    H4*    A  29           H4*        A  29   0.516 -12.778  -4.364
  307    H3*    A  29           H3*        A  29  -0.503 -14.981  -2.538
  308    H2*    A  29           H2*        A  29   0.897 -14.226  -0.823
  309   2HO*    A  29          2HO*        A  29   2.869 -14.209  -1.759
  310    H1*    A  29           H1*        A  29   0.985 -11.487  -1.557
  311    H8     A  29           H8         A  29  -2.351 -13.263  -0.877
  312   1H6     A  29          1H6         A  29  -1.721 -11.415   4.963
  313   2H6     A  29          2H6         A  29  -2.778 -12.204   3.814
  314    H2     A  29           H2         A  29   2.020 -10.299   2.736
  315   1H5*    A  30          1H5*        A  30   4.290 -15.589  -3.924
  316   2H5*    A  30          2H5*        A  30   4.728 -17.109  -3.116
  317    H4*    A  30           H4*        A  30   6.177 -14.965  -2.690
  318    H3*    A  30           H3*        A  30   5.191 -17.005  -0.682
  319    H2*    A  30           H2*        A  30   6.129 -15.770   1.106
  320   2HO*    A  30          2HO*        A  30   7.324 -13.738  -0.303
  321    H1*    A  30           H1*        A  30   5.415 -13.272   0.296
  322    H8     A  30           H8         A  30   2.589 -15.589  -0.570
  323   1H6     A  30          1H6         A  30   0.804 -15.280   5.316
  324   2H6     A  30          2H6         A  30   0.366 -15.822   3.712
  325    H2     A  30           H2         A  30   4.845 -13.343   4.981
  326   1H5*    G  31          1H5*        G  31   8.382 -16.055   1.000
  327   2H5*    G  31          2H5*        G  31   9.679 -17.228   0.706
  328    H4*    G  31           H4*        G  31   9.961 -17.011   2.971
  329    H3*    G  31           H3*        G  31   7.704 -19.020   2.631
  330    H2*    G  31           H2*        G  31   7.471 -19.114   4.974
  331   2HO*    G  31          2HO*        G  31   9.252 -17.999   6.260
  332    H1*    G  31           H1*        G  31   8.091 -16.436   5.517
  333    H8     G  31           H8         G  31   5.509 -17.031   2.784
  334    H1     G  31           H1         G  31   3.059 -17.153   8.668
  335   1H2     G  31          1H2         G  31   4.690 -17.095  10.169
  336   2H2     G  31          2H2         G  31   6.378 -17.027   9.719
  337   1H5*    G  32          1H5*        G  32  11.036 -20.000   5.703
  338   2H5*    G  32          2H5*        G  32  11.181 -21.770   5.712
  339    H4*    G  32           H4*        G  32  10.908 -20.638   7.995
  340    H3*    G  32           H3*        G  32   9.131 -22.882   6.973
  341    H2*    G  32           H2*        G  32   7.960 -22.857   9.040
  342   2HO*    G  32          2HO*        G  32   8.974 -22.390  10.840
  343    H1*    G  32           H1*        G  32   7.836 -20.139   9.353
  344    H8     G  32           H8         G  32   7.291 -21.165   5.742
  345    H1     G  32           H1         G  32   2.051 -21.731   9.326
  346   1H2     G  32          1H2         G  32   2.556 -21.429  11.465
  347   2H2     G  32          2H2         G  32   4.184 -21.089  12.006
  348   1H5*    U  33          1H5*        U  33  10.292 -25.061  10.486
  349   2H5*    U  33          2H5*        U  33  10.126 -26.744   9.949
  350    H4*    U  33           H4*        U  33   8.322 -25.678  11.557
  351    H3*    U  33           H3*        U  33   7.876 -27.470   9.149
  352    H2*    U  33           H2*        U  33   5.575 -27.213   9.341
  353   2HO*    U  33          2HO*        U  33   5.477 -26.305  11.964
  354    H1*    U  33           H1*        U  33   5.581 -24.743  10.815
  355    H3     U  33           H3         U  33   2.363 -24.763   7.507
  356    H5     U  33           H5         U  33   5.995 -23.750   5.619
  357    H6     U  33           H6         U  33   7.146 -24.318   7.675
  358   1H5*    C  34          1H5*        C  34   6.525 -29.179  13.071
  359   2H5*    C  34          2H5*        C  34   6.741 -30.934  13.236
  360    H4*    C  34           H4*        C  34   4.471 -30.422  13.870
  361    H3*    C  34           H3*        C  34   4.811 -31.650  11.125
  362    H2*    C  34           H2*        C  34   2.511 -31.618  10.784
  363   2HO*    C  34          2HO*        C  34   1.495 -30.863  13.155
  364    H1*    C  34           H1*        C  34   1.961 -29.261  12.195
  365   1H4     C  34          1H4         C  34   1.421 -27.970   5.986
  366   2H4     C  34          2H4         C  34   3.162 -27.894   5.831
  367    H5     C  34           H5         C  34   4.674 -28.415   7.635
  368    H6     C  34           H6         C  34   4.843 -29.125   9.978
  369    H3T    C  34           H3T        C  34   3.447 -33.057  12.980
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -6.393 -27.650   1.619
    2   2H5*    G   1          2H5*        G   1  -7.313 -26.164   1.930
    3    H4*    G   1           H4*        G   1  -7.924 -27.528   3.733
    4    H3*    G   1           H3*        G   1  -5.764 -25.560   4.388
    5    H2*    G   1           H2*        G   1  -5.190 -26.553   6.440
    6   2HO*    G   1          2HO*        G   1  -7.819 -27.122   6.474
    7    H1*    G   1           H1*        G   1  -5.395 -29.181   5.814
    8    H8     G   1           H8         G   1  -3.934 -27.863   2.715
    9    H1     G   1           H1         G   1   0.257 -27.509   7.508
   10   1H2     G   1          1H2         G   1  -0.777 -27.841   9.444
   11   2H2     G   1          2H2         G   1  -2.496 -28.150   9.551
   12    H5T    G   1           H5T        G   1  -5.528 -25.118   2.309
   13   1H5*    G   2          1H5*        G   2  -6.739 -26.089   8.025
   14   2H5*    G   2          2H5*        G   2  -7.899 -24.820   8.471
   15    H4*    G   2           H4*        G   2  -6.490 -24.648  10.282
   16    H3*    G   2           H3*        G   2  -5.325 -22.937   8.070
   17    H2*    G   2           H2*        G   2  -3.397 -22.545   9.317
   18   2HO*    G   2          2HO*        G   2  -3.588 -22.022  11.354
   19    H1*    G   2           H1*        G   2  -3.357 -24.928  10.828
   20    H8     G   2           H8         G   2  -3.442 -25.325   7.064
   21    H1     G   2           H1         G   2   2.410 -24.196   9.326
   22   1H2     G   2          1H2         G   2   2.299 -23.663  11.476
   23   2H2     G   2          2H2         G   2   0.785 -23.589  12.350
   24   1H5*    C   3          1H5*        C   3  -5.259 -21.181  12.557
   25   2H5*    C   3          2H5*        C   3  -5.440 -19.444  12.244
   26    H4*    C   3           H4*        C   3  -3.513 -20.124  13.788
   27    H3*    C   3           H3*        C   3  -3.218 -18.396  11.312
   28    H2*    C   3           H2*        C   3  -0.899 -18.216  11.690
   29   2HO*    C   3          2HO*        C   3  -0.271 -19.309  13.931
   30    H1*    C   3           H1*        C   3  -0.436 -20.781  12.617
   31   1H4     C   3          1H4         C   3   1.391 -20.644   6.520
   32   2H4     C   3          2H4         C   3  -0.275 -20.752   5.995
   33    H5     C   3           H5         C   3  -2.142 -20.714   7.515
   34    H6     C   3           H6         C   3  -2.818 -20.561   9.865
   35   1H5*    C   4          1H5*        C   4  -1.632 -15.894  15.160
   36   2H5*    C   4          2H5*        C   4  -1.803 -14.234  14.554
   37    H4*    C   4           H4*        C   4   0.534 -14.997  15.387
   38    H3*    C   4           H3*        C   4  -0.119 -13.522  12.832
   39    H2*    C   4           H2*        C   4   2.125 -13.649  12.094
   40   2HO*    C   4          2HO*        C   4   3.830 -14.116  13.477
   41    H1*    C   4           H1*        C   4   2.674 -16.198  12.802
   42   1H4     C   4          1H4         C   4   0.573 -16.404   6.793
   43   2H4     C   4          2H4         C   4  -1.084 -16.397   7.355
   44    H5     C   4           H5         C   4  -1.692 -16.150   9.672
   45    H6     C   4           H6         C   4  -0.842 -15.854  11.952
   46   1H5*    U   5          1H5*        U   5   3.722 -11.733  13.642
   47   2H5*    U   5          2H5*        U   5   3.322 -10.007  13.738
   48    H4*    U   5           H4*        U   5   5.058 -10.339  12.057
   49    H3*    U   5           H3*        U   5   2.291  -9.572  11.088
   50    H2*    U   5           H2*        U   5   2.946  -9.777   8.874
   51   2HO*    U   5          2HO*        U   5   5.527  -9.767   8.693
   52    H1*    U   5           H1*        U   5   5.122 -11.581   9.226
   53    H3     U   5           H3         U   5   2.776 -13.410   5.827
   54    H5     U   5           H5         U   5   0.170 -13.694   9.130
   55    H6     U   5           H6         U   5   1.766 -12.406  10.413
   56   1H5*    U   6          1H5*        U   6   5.702  -7.141  10.071
   57   2H5*    U   6          2H5*        U   6   5.558  -5.382   9.880
   58    H4*    U   6           H4*        U   6   6.751  -6.318   7.965
   59    H3*    U   6           H3*        U   6   3.963  -5.220   7.532
   60    H2*    U   6           H2*        U   6   4.018  -5.828   5.259
   61   2HO*    U   6          2HO*        U   6   6.708  -6.572   5.178
   62    H1*    U   6           H1*        U   6   5.457  -8.189   5.481
   63    H3     U   6           H3         U   6   1.381  -9.361   3.897
   64    H5     U   6           H5         U   6   0.696  -8.490   7.963
   65    H6     U   6           H6         U   6   2.990  -7.713   8.117
   66   1H5*    A   7          1H5*        A   7   8.006  -4.340   5.730
   67   2H5*    A   7          2H5*        A   7   8.237  -2.833   4.819
   68    H4*    A   7           H4*        A   7   9.405  -4.829   3.822
   69    H3*    A   7           H3*        A   7   7.406  -3.120   2.358
   70    H2*    A   7           H2*        A   7   7.366  -4.538   0.473
   71   2HO*    A   7          2HO*        A   7   9.117  -5.568  -0.152
   72    H1*    A   7           H1*        A   7   7.414  -6.957   1.710
   73    H8     A   7           H8         A   7   5.385  -4.225   3.487
   74   1H6     A   7          1H6         A   7   0.570  -6.142   0.164
   75   2H6     A   7          2H6         A   7   1.094  -5.075   1.446
   76    H2     A   7           H2         A   7   4.212  -8.363  -1.254
   77   1H5*    G   8          1H5*        G   8   9.094   0.606   0.525
   78   2H5*    G   8          2H5*        G   8   8.919   0.322   2.270
   79    H4*    G   8           H4*        G   8   7.260   1.957   1.139
   80    H3*    G   8           H3*        G   8   7.010   0.415   3.401
   81    H2*    G   8           H2*        G   8   5.958  -1.466   2.383
   82   2HO*    G   8          2HO*        G   8   3.685  -1.228   2.738
   83    H1*    G   8           H1*        G   8   4.250   0.310   0.644
   84    H8     G   8           H8         G   8   6.923  -2.261  -0.350
   85    H1     G   8           H1         G   8   0.935  -4.254  -1.258
   86   1H2     G   8          1H2         G   8  -0.491  -2.776  -0.422
   87   2H2     G   8          2H2         G   8   0.032  -1.300   0.360
   88   1H5*    G   9          1H5*        G   9   8.262   4.298   2.949
   89   2H5*    G   9          2H5*        G   9   7.475   5.837   2.542
   90    H4*    G   9           H4*        G   9   8.957   4.607   0.749
   91    H3*    G   9           H3*        G   9   6.375   6.111   0.463
   92    H2*    G   9           H2*        G   9   5.962   5.354  -1.727
   93   2HO*    G   9          2HO*        G   9   7.762   4.140  -2.823
   94    H1*    G   9           H1*        G   9   6.750   2.779  -1.526
   95    H8     G   9           H8         G   9   5.096   4.087   1.662
   96    H1     G   9           H1         G   9   0.974   1.796  -2.629
   97   1H2     G   9          1H2         G   9   2.024   1.367  -4.535
   98   2H2     G   9          2H2         G   9   3.737   1.646  -4.748
   99   1H5*    A  10          1H5*        A  10   8.532   5.935  -3.602
  100   2H5*    A  10          2H5*        A  10   8.372   7.622  -4.133
  101    H4*    A  10           H4*        A  10   7.363   5.729  -5.625
  102    H3*    A  10           H3*        A  10   6.427   8.446  -4.979
  103    H2*    A  10           H2*        A  10   4.187   7.924  -4.810
  104   2HO*    A  10          2HO*        A  10   3.609   8.184  -6.826
  105    H1*    A  10           H1*        A  10   4.463   5.129  -5.843
  106    H8     A  10           H8         A  10   4.136   6.433  -2.245
  107   1H6     A  10          1H6         A  10  -1.712   4.546  -2.435
  108   2H6     A  10          2H6         A  10  -0.457   5.238  -1.434
  109    H2     A  10           H2         A  10   0.092   3.899  -6.509
  110   1H5*    A  11          1H5*        A  11   6.050   6.444 -10.529
  111   2H5*    A  11          2H5*        A  11   5.473   8.120 -10.434
  112    H4*    A  11           H4*        A  11   4.197   6.338 -11.926
  113    H3*    A  11           H3*        A  11   3.023   8.486 -10.123
  114    H2*    A  11           H2*        A  11   0.841   7.765 -10.717
  115   2HO*    A  11          2HO*        A  11   1.888   7.297 -13.035
  116    H1*    A  11           H1*        A  11   1.308   5.068 -10.614
  117    H8     A  11           H8         A  11   3.135   6.604  -7.719
  118   1H6     A  11          1H6         A  11  -2.260   7.009  -4.775
  119   2H6     A  11          2H6         A  11  -0.531   7.177  -4.612
  120    H2     A  11           H2         A  11  -3.082   5.853  -9.033
  121   1H5*    A  12          1H5*        A  12   0.106   7.821 -12.937
  122   2H5*    A  12          2H5*        A  12  -0.002   9.326 -13.872
  123    H4*    A  12           H4*        A  12  -2.228   8.838 -13.154
  124    H3*    A  12           H3*        A  12  -0.849  10.997 -11.525
  125    H2*    A  12           H2*        A  12  -2.663  11.145 -10.110
  126   2HO*    A  12          2HO*        A  12  -4.793  10.284 -10.900
  127    H1*    A  12           H1*        A  12  -3.691   8.529 -10.403
  128    H8     A  12           H8         A  12  -0.135   8.943  -9.152
  129   1H6     A  12          1H6         A  12  -2.490   9.431  -3.484
  130   2H6     A  12          2H6         A  12  -1.017   9.283  -4.416
  131    H2     A  12           H2         A  12  -5.890   9.462  -6.421
  132   1H5*    C  13          1H5*        C  13  -4.637  12.943 -14.074
  133   2H5*    C  13          2H5*        C  13  -4.562  14.655 -13.616
  134    H4*    C  13           H4*        C  13  -6.748  13.296 -13.136
  135    H3*    C  13           H3*        C  13  -5.316  15.180 -11.225
  136    H2*    C  13           H2*        C  13  -7.047  14.776  -9.624
  137   2HO*    C  13          2HO*        C  13  -8.403  13.422 -11.750
  138    H1*    C  13           H1*        C  13  -7.106  12.091  -9.891
  139   1H4     C  13          1H4         C  13  -2.798  13.323  -5.377
  140   2H4     C  13          2H4         C  13  -1.539  13.307  -6.590
  141    H5     C  13           H5         C  13  -1.986  13.143  -8.949
  142    H6     C  13           H6         C  13  -3.728  12.958 -10.653
  143   1H5*    A  14          1H5*        A  14  -9.278  17.173 -10.906
  144   2H5*    A  14          2H5*        A  14  -8.805  18.871 -11.115
  145    H4*    A  14           H4*        A  14  -9.921  18.490  -8.935
  146    H3*    A  14           H3*        A  14  -6.977  19.269  -8.943
  147    H2*    A  14           H2*        A  14  -7.083  19.364  -6.570
  148   2HO*    A  14          2HO*        A  14  -9.590  20.132  -7.047
  149    H1*    A  14           H1*        A  14  -8.676  17.176  -6.197
  150    H8     A  14           H8         A  14  -6.019  16.402  -8.754
  151   1H6     A  14          1H6         A  14  -2.143  15.433  -4.070
  152   2H6     A  14          2H6         A  14  -2.370  15.285  -5.798
  153    H2     A  14           H2         A  14  -5.905  17.247  -2.415
  154   1H5*    G  15          1H5*        G  15  -9.384  21.894  -6.285
  155   2H5*    G  15          2H5*        G  15  -8.938  23.566  -6.679
  156    H4*    G  15           H4*        G  15  -8.934  23.228  -4.248
  157    H3*    G  15           H3*        G  15  -6.283  23.725  -5.649
  158    H2*    G  15           H2*        G  15  -5.163  23.619  -3.545
  159   2HO*    G  15          2HO*        G  15  -7.424  24.622  -2.632
  160    H1*    G  15           H1*        G  15  -6.472  21.443  -2.553
  161    H8     G  15           H8         G  15  -6.011  21.016  -6.266
  162    H1     G  15           H1         G  15  -0.789  19.537  -2.949
  163   1H2     G  15          1H2         G  15  -1.030  20.154  -0.829
  164   2H2     G  15          2H2         G  15  -2.478  20.939  -0.241
  165   1H5*    U  16          1H5*        U  16  -3.732  27.410  -4.722
  166   2H5*    U  16          2H5*        U  16  -3.997  25.749  -5.277
  167    H4*    U  16           H4*        U  16  -3.327  26.464  -2.400
  168    H3*    U  16           H3*        U  16  -1.540  25.921  -4.790
  169    H2*    U  16           H2*        U  16  -0.078  24.653  -3.402
  170   2HO*    U  16          2HO*        U  16  -0.110  24.770  -1.198
  171    H1*    U  16           H1*        U  16  -1.986  23.220  -2.118
  172    H3     U  16           H3         U  16   0.363  21.039  -5.543
  173    H5     U  16           H5         U  16  -3.307  22.361  -7.117
  174    H6     U  16           H6         U  16  -3.646  23.632  -5.108
  175   1H5*    U  17          1H5*        U  17   2.570  27.967  -4.728
  176   2H5*    U  17          2H5*        U  17   2.254  26.484  -3.808
  177    H4*    U  17           H4*        U  17   4.283  28.502  -3.366
  178    H3*    U  17           H3*        U  17   4.208  25.809  -3.101
  179    H2*    U  17           H2*        U  17   2.617  25.663  -1.333
  180   2HO*    U  17          2HO*        U  17   4.101  25.848   0.720
  181    H1*    U  17           H1*        U  17   3.791  27.929   0.230
  182    H3     U  17           H3         U  17   0.216  27.495   2.899
  183    H5     U  17           H5         U  17  -1.475  27.480  -0.963
  184    H6     U  17           H6         U  17   0.765  27.557  -1.871
  185   1H5*    C  18          1H5*        C  18   5.396  23.198  -0.959
  186   2H5*    C  18          2H5*        C  18   7.111  23.656  -0.914
  187    H4*    C  18           H4*        C  18   7.053  21.386  -1.667
  188    H3*    C  18           H3*        C  18   8.239  23.323  -3.221
  189    H2*    C  18           H2*        C  18   6.398  23.685  -4.701
  190   2HO*    C  18          2HO*        C  18   8.394  22.279  -5.667
  191    H1*    C  18           H1*        C  18   5.841  20.722  -4.836
  192   1H4     C  18          1H4         C  18   0.620  23.018  -7.619
  193   2H4     C  18          2H4         C  18   0.379  24.168  -6.323
  194    H5     C  18           H5         C  18   1.906  24.420  -4.481
  195    H6     C  18           H6         C  18   3.994  23.624  -3.477
  196   1H5*    G  19          1H5*        G  19   7.732  17.749  -2.590
  197   2H5*    G  19          2H5*        G  19   7.134  19.420  -2.606
  198    H4*    G  19           H4*        G  19   8.476  18.173  -0.180
  199    H3*    G  19           H3*        G  19   5.553  18.189  -1.031
  200    H2*    G  19           H2*        G  19   4.965  18.477   1.232
  201   2HO*    G  19          2HO*        G  19   6.540  18.022   2.917
  202    H1*    G  19           H1*        G  19   7.251  19.970   1.984
  203    H8     G  19           H8         G  19   5.835  21.832   2.965
  204    H1     G  19           H1         G  19   1.863  22.037  -2.027
  205   1H2     G  19          1H2         G  19   2.456  20.505  -3.513
  206   2H2     G  19          2H2         G  19   3.825  19.444  -3.278
  207   1H5*    C  20          1H5*        C  20   5.618  16.184   2.014
  208   2H5*    C  20          2H5*        C  20   4.434  14.881   2.239
  209    H4*    C  20           H4*        C  20   3.982  16.918   3.641
  210    H3*    C  20           H3*        C  20   2.007  15.798   1.648
  211    H2*    C  20           H2*        C  20   0.462  17.548   2.083
  212   2HO*    C  20          2HO*        C  20   2.114  18.039   4.359
  213    H1*    C  20           H1*        C  20   2.196  19.619   2.034
  214   1H4     C  20          1H4         C  20   0.268  18.510  -3.974
  215   2H4     C  20          2H4         C  20   1.702  17.538  -4.220
  216    H5     C  20           H5         C  20   3.233  16.981  -2.468
  217    H6     C  20           H6         C  20   3.743  17.232  -0.088
  218   1H5*    U  21          1H5*        U  21  -0.020  16.784   4.364
  219   2H5*    U  21          2H5*        U  21  -0.499  15.736   5.713
  220    H4*    U  21           H4*        U  21  -2.477  16.861   5.462
  221    H3*    U  21           H3*        U  21  -2.501  14.563   3.490
  222    H2*    U  21           H2*        U  21  -4.582  15.306   2.611
  223   2HO*    U  21          2HO*        U  21  -4.777  16.467   5.110
  224    H1*    U  21           H1*        U  21  -3.998  17.960   2.485
  225    H3     U  21           H3         U  21  -3.783  16.510  -1.806
  226    H5     U  21           H5         U  21  -0.170  15.188  -0.085
  227    H6     U  21           H6         U  21  -1.008  15.925   2.072
  228   1H5*    G  22          1H5*        G  22  -5.893  14.752   4.539
  229   2H5*    G  22          2H5*        G  22  -6.832  13.363   5.112
  230    H4*    G  22           H4*        G  22  -7.938  14.105   3.147
  231    H3*    G  22           H3*        G  22  -6.138  11.708   2.629
  232    H2*    G  22           H2*        G  22  -6.800  11.743   0.382
  233   2HO*    G  22          2HO*        G  22  -8.788  13.003  -0.178
  234    H1*    G  22           H1*        G  22  -7.310  14.506   0.175
  235    H8     G  22           H8         G  22  -3.828  13.684   1.311
  236    H1     G  22           H1         G  22  -4.533  13.178  -5.001
  237   1H2     G  22          1H2         G  22  -6.681  13.290  -5.536
  238   2H2     G  22          2H2         G  22  -7.938  13.491  -4.336
  239   1H5*    U  23          1H5*        U  23  -9.645  11.617   1.253
  240   2H5*    U  23          2H5*        U  23 -10.957  10.582   1.852
  241    H4*    U  23           H4*        U  23 -11.480  10.519  -0.381
  242    H3*    U  23           H3*        U  23  -9.322   8.402  -0.003
  243    H2*    U  23           H2*        U  23  -9.582   7.887  -2.336
  244   2HO*    U  23          2HO*        U  23 -11.347   9.730  -3.151
  245    H1*    U  23           H1*        U  23  -9.457  10.482  -3.165
  246    H3     U  23           H3         U  23  -5.248   9.067  -4.081
  247    H5     U  23           H5         U  23  -5.307   9.448   0.119
  248    H6     U  23           H6         U  23  -7.687   9.892  -0.010
  249   1H5*    G  24          1H5*        G  24 -12.612   5.866  -1.387
  250   2H5*    G  24          2H5*        G  24 -12.014   4.200  -1.264
  251    H4*    G  24           H4*        G  24 -11.956   5.483  -3.575
  252    H3*    G  24           H3*        G  24  -9.701   3.783  -2.415
  253    H2*    G  24           H2*        G  24  -8.580   4.105  -4.480
  254   2HO*    G  24          2HO*        G  24  -9.661   4.787  -6.342
  255    H1*    G  24           H1*        G  24  -9.439   6.742  -4.868
  256    H8     G  24           H8         G  24  -8.109   6.593  -1.418
  257    H1     G  24           H1         G  24  -3.470   6.256  -5.758
  258   1H2     G  24          1H2         G  24  -4.320   5.870  -7.761
  259   2H2     G  24          2H2         G  24  -6.040   5.691  -8.027
  260   1H5*    C  25          1H5*        C  25  -9.838   2.637  -6.535
  261   2H5*    C  25          2H5*        C  25  -9.359   0.931  -6.503
  262    H4*    C  25           H4*        C  25  -7.784   2.729  -7.609
  263    H3*    C  25           H3*        C  25  -7.248   0.205  -6.183
  264    H2*    C  25           H2*        C  25  -5.503   1.036  -4.904
  265   2HO*    C  25          2HO*        C  25  -4.474   1.561  -7.515
  266    H1*    C  25           H1*        C  25  -5.231   3.544  -6.532
  267   1H4     C  25          1H4         C  25  -2.459   5.021  -0.993
  268   2H4     C  25          2H4         C  25  -3.986   4.830  -0.160
  269    H5     C  25           H5         C  25  -5.990   4.036  -1.242
  270    H6     C  25           H6         C  25  -6.954   3.252  -3.359
  271   1H5*    C  26          1H5*        C  26  -4.608   0.931  -9.300
  272   2H5*    C  26          2H5*        C  26  -4.225  -0.123 -10.675
  273    H4*    C  26           H4*        C  26  -2.123   0.018  -9.759
  274    H3*    C  26           H3*        C  26  -3.588  -2.270  -8.481
  275    H2*    C  26           H2*        C  26  -2.322  -2.164  -6.550
  276   2HO*    C  26          2HO*        C  26  -0.419  -3.002  -6.893
  277    H1*    C  26           H1*        C  26  -0.658   0.121  -7.526
  278   1H4     C  26          1H4         C  26  -0.794   1.392  -1.318
  279   2H4     C  26          2H4         C  26  -2.488   0.965  -1.208
  280    H5     C  26           H5         C  26  -3.770   0.159  -3.084
  281    H6     C  26           H6         C  26  -3.698  -0.412  -5.467
  282   1H5*    G  27          1H5*        G  27  -1.859  -4.197  -7.664
  283   2H5*    G  27          2H5*        G  27  -1.843  -5.785  -8.460
  284    H4*    G  27           H4*        G  27  -2.973  -6.406  -6.570
  285    H3*    G  27           H3*        G  27  -5.049  -5.201  -8.417
  286    H2*    G  27           H2*        G  27  -6.649  -5.243  -6.725
  287   2HO*    G  27          2HO*        G  27  -5.228  -7.546  -5.984
  288    H1*    G  27           H1*        G  27  -4.862  -5.228  -4.480
  289    H8     G  27           H8         G  27  -4.530  -2.122  -6.511
  290    H1     G  27           H1         G  27  -9.703  -2.001  -2.779
  291   1H2     G  27          1H2         G  27 -10.093  -4.022  -1.955
  292   2H2     G  27          2H2         G  27  -9.079  -5.400  -2.323
  293   1H5*    A  28          1H5*        A  28  -4.503 -10.118  -8.289
  294   2H5*    A  28          2H5*        A  28  -5.565 -11.256  -7.435
  295    H4*    A  28           H4*        A  28  -3.078 -10.893  -6.619
  296    H3*    A  28           H3*        A  28  -5.600 -11.136  -4.950
  297    H2*    A  28           H2*        A  28  -4.388 -10.725  -2.995
  298   2HO*    A  28          2HO*        A  28  -2.070 -11.563  -4.446
  299    H1*    A  28           H1*        A  28  -2.289  -9.180  -4.137
  300    H8     A  28           H8         A  28  -6.100  -8.464  -4.171
  301   1H6     A  28          1H6         A  28  -4.928  -4.478   0.375
  302   2H6     A  28          2H6         A  28  -6.165  -5.136  -0.672
  303    H2     A  28           H2         A  28  -1.079  -6.534  -0.703
  304   1H5*    A  29          1H5*        A  29  -1.912 -13.089  -5.591
  305   2H5*    A  29          2H5*        A  29  -1.535 -14.787  -5.235
  306    H4*    A  29           H4*        A  29   0.478 -13.292  -5.183
  307    H3*    A  29           H3*        A  29  -0.438 -14.850  -2.753
  308    H2*    A  29           H2*        A  29   1.277 -13.928  -1.447
  309   2HO*    A  29          2HO*        A  29   2.559 -13.139  -3.880
  310    H1*    A  29           H1*        A  29   1.415 -11.406  -2.612
  311    H8     A  29           H8         A  29  -2.027 -12.757  -1.627
  312   1H6     A  29          1H6         A  29  -1.037 -10.266   3.917
  313   2H6     A  29          2H6         A  29  -2.203 -11.082   2.898
  314    H2     A  29           H2         A  29   2.724  -9.823   1.495
  315   1H5*    A  30          1H5*        A  30   4.177 -15.876  -4.343
  316   2H5*    A  30          2H5*        A  30   4.642 -17.240  -3.305
  317    H4*    A  30           H4*        A  30   6.149 -15.076  -3.405
  318    H3*    A  30           H3*        A  30   5.389 -16.792  -1.037
  319    H2*    A  30           H2*        A  30   6.444 -15.311   0.475
  320   2HO*    A  30          2HO*        A  30   7.986 -14.777  -1.709
  321    H1*    A  30           H1*        A  30   5.618 -12.956  -0.593
  322    H8     A  30           H8         A  30   2.790 -15.398  -0.983
  323   1H6     A  30          1H6         A  30   1.353 -14.369   4.914
  324   2H6     A  30          2H6         A  30   0.833 -15.114   3.420
  325    H2     A  30           H2         A  30   5.333 -12.442   4.092
  326   1H5*    G  31          1H5*        G  31   8.672 -15.379   0.430
  327   2H5*    G  31          2H5*        G  31   9.933 -16.595   0.139
  328    H4*    G  31           H4*        G  31  10.379 -16.179   2.354
  329    H3*    G  31           H3*        G  31   8.136 -18.231   2.325
  330    H2*    G  31           H2*        G  31   8.058 -18.149   4.680
  331   2HO*    G  31          2HO*        G  31  10.550 -16.747   4.650
  332    H1*    G  31           H1*        G  31   8.600 -15.433   4.985
  333    H8     G  31           H8         G  31   5.956 -16.267   2.380
  334    H1     G  31           H1         G  31   3.690 -16.111   8.334
  335   1H2     G  31          1H2         G  31   5.362 -15.917   9.778
  336   2H2     G  31          2H2         G  31   7.034 -15.830   9.272
  337   1H5*    G  32          1H5*        G  32  11.786 -19.003   5.390
  338   2H5*    G  32          2H5*        G  32  11.850 -20.776   5.348
  339    H4*    G  32           H4*        G  32  11.827 -19.705   7.668
  340    H3*    G  32           H3*        G  32   9.846 -21.822   6.760
  341    H2*    G  32           H2*        G  32   8.877 -21.789   8.944
  342   2HO*    G  32          2HO*        G  32  10.948 -20.031   9.808
  343    H1*    G  32           H1*        G  32   8.826 -19.102   9.258
  344    H8     G  32           H8         G  32   8.132 -20.099   5.658
  345    H1     G  32           H1         G  32   2.963 -20.322   9.377
  346   1H2     G  32          1H2         G  32   3.537 -20.047  11.497
  347   2H2     G  32          2H2         G  32   5.196 -19.809  11.999
  348   1H5*    U  33          1H5*        U  33  11.062 -22.857  10.353
  349   2H5*    U  33          2H5*        U  33  10.938 -24.577  10.775
  350    H4*    U  33           H4*        U  33   9.226 -22.986  11.852
  351    H3*    U  33           H3*        U  33   8.531 -25.525  10.337
  352    H2*    U  33           H2*        U  33   6.246 -25.140  10.761
  353   2HO*    U  33          2HO*        U  33   7.255 -23.915  12.990
  354    H1*    U  33           H1*        U  33   6.246 -22.395  10.502
  355    H3     U  33           H3         U  33   3.654 -24.511   7.329
  356    H5     U  33           H5         U  33   7.532 -24.229   5.702
  357    H6     U  33           H6         U  33   8.323 -23.515   7.881
  358   1H5*    C  34          1H5*        C  34   6.010 -25.551  13.130
  359   2H5*    C  34          2H5*        C  34   6.349 -26.744  14.400
  360    H4*    C  34           H4*        C  34   4.138 -27.257  14.080
  361    H3*    C  34           H3*        C  34   5.601 -28.696  11.845
  362    H2*    C  34           H2*        C  34   3.562 -29.475  11.027
  363   2HO*    C  34          2HO*        C  34   1.789 -28.734  12.921
  364    H1*    C  34           H1*        C  34   2.031 -27.222  11.772
  365   1H4     C  34          1H4         C  34   2.521 -26.936   5.446
  366   2H4     C  34          2H4         C  34   4.239 -26.623   5.552
  367    H5     C  34           H5         C  34   5.451 -26.598   7.637
  368    H6     C  34           H6         C  34   5.276 -26.870  10.061
  369    H3T    C  34           H3T        C  34   5.852 -30.024  13.471
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  -8.109 -26.114   2.970
    2   2H5*    G   1          2H5*        G   1  -7.840 -24.454   3.539
    3    H4*    G   1           H4*        G   1  -8.989 -26.172   5.142
    4    H3*    G   1           H3*        G   1  -6.864 -24.125   5.727
    5    H2*    G   1           H2*        G   1  -6.457 -24.952   7.903
    6   2HO*    G   1          2HO*        G   1  -8.950 -26.285   7.546
    7    H1*    G   1           H1*        G   1  -6.452 -27.589   7.392
    8    H8     G   1           H8         G   1  -5.114 -25.705   4.378
    9    H1     G   1           H1         G   1  -0.747 -26.535   8.947
   10   1H2     G   1          1H2         G   1  -1.704 -27.344  10.776
   11   2H2     G   1          2H2         G   1  -3.419 -27.680  10.870
   12    H5T    G   1           H5T        G   1  -6.056 -26.258   2.710
   13   1H5*    G   2          1H5*        G   2  -7.983 -24.531   9.433
   14   2H5*    G   2          2H5*        G   2  -9.230 -23.288   9.656
   15    H4*    G   2           H4*        G   2  -8.048 -22.881  11.575
   16    H3*    G   2           H3*        G   2  -6.586 -21.376   9.378
   17    H2*    G   2           H2*        G   2  -4.945 -20.711  10.958
   18   2HO*    G   2          2HO*        G   2  -5.392 -20.467  13.039
   19    H1*    G   2           H1*        G   2  -4.762 -23.089  12.324
   20    H8     G   2           H8         G   2  -5.054 -23.423   8.529
   21    H1     G   2           H1         G   2   0.924 -22.585  10.571
   22   1H2     G   2          1H2         G   2   0.927 -22.116  12.740
   23   2H2     G   2          2H2         G   2  -0.544 -22.008  13.680
   24   1H5*    C   3          1H5*        C   3  -6.556 -18.656  12.500
   25   2H5*    C   3          2H5*        C   3  -6.350 -17.021  11.841
   26    H4*    C   3           H4*        C   3  -4.331 -18.242  13.038
   27    H3*    C   3           H3*        C   3  -4.287 -16.587  10.492
   28    H2*    C   3           H2*        C   3  -2.040 -17.101  10.176
   29   2HO*    C   3          2HO*        C   3  -0.634 -17.016  11.802
   30    H1*    C   3           H1*        C   3  -1.985 -19.478  11.833
   31   1H4     C   3          1H4         C   3   0.170 -20.775   5.947
   32   2H4     C   3          2H4         C   3  -1.470 -21.146   5.463
   33    H5     C   3           H5         C   3  -3.379 -20.785   6.890
   34    H6     C   3           H6         C   3  -4.124 -19.988   9.083
   35   1H5*    C   4          1H5*        C   4  -1.848 -15.141  14.379
   36   2H5*    C   4          2H5*        C   4  -1.776 -13.371  14.263
   37    H4*    C   4           H4*        C   4   0.358 -14.356  15.083
   38    H3*    C   4           H3*        C   4   0.201 -12.792  12.503
   39    H2*    C   4           H2*        C   4   2.486 -13.198  12.028
   40   2HO*    C   4          2HO*        C   4   2.593 -13.672  14.792
   41    H1*    C   4           H1*        C   4   2.600 -15.809  12.693
   42   1H4     C   4          1H4         C   4   1.087 -15.547   6.504
   43   2H4     C   4          2H4         C   4  -0.610 -15.440   6.916
   44    H5     C   4           H5         C   4  -1.407 -15.244   9.181
   45    H6     C   4           H6         C   4  -0.750 -15.111  11.539
   46   1H5*    U   5          1H5*        U   5   4.068 -12.262  13.349
   47   2H5*    U   5          2H5*        U   5   4.168 -10.630  14.036
   48    H4*    U   5           H4*        U   5   5.888 -10.554  12.474
   49    H3*    U   5           H3*        U   5   3.323  -9.628  11.132
   50    H2*    U   5           H2*        U   5   4.520  -9.330   9.114
   51   2HO*    U   5          2HO*        U   5   6.733  -9.200  10.860
   52    H1*    U   5           H1*        U   5   6.192 -11.527   9.344
   53    H3     U   5           H3         U   5   3.748 -12.635   5.745
   54    H5     U   5           H5         U   5   0.953 -12.744   8.899
   55    H6     U   5           H6         U   5   2.677 -11.873  10.365
   56   1H5*    U   6          1H5*        U   6   6.657  -7.538   9.568
   57   2H5*    U   6          2H5*        U   6   6.160  -5.873   9.208
   58    H4*    U   6           H4*        U   6   6.895  -7.361   7.221
   59    H3*    U   6           H3*        U   6   4.379  -5.689   7.390
   60    H2*    U   6           H2*        U   6   3.524  -6.646   5.465
   61   2HO*    U   6          2HO*        U   6   5.847  -5.851   4.578
   62    H1*    U   6           H1*        U   6   5.413  -8.884   5.326
   63    H3     U   6           H3         U   6   1.566 -10.553   3.579
   64    H5     U   6           H5         U   6   0.681  -9.907   7.649
   65    H6     U   6           H6         U   6   2.833  -8.806   7.871
   66   1H5*    A   7          1H5*        A   7   7.554  -5.360   4.611
   67   2H5*    A   7          2H5*        A   7   8.215  -3.876   3.896
   68    H4*    A   7           H4*        A   7   8.272  -5.541   2.176
   69    H3*    A   7           H3*        A   7   6.123  -3.439   1.944
   70    H2*    A   7           H2*        A   7   5.119  -4.496   0.092
   71   2HO*    A   7          2HO*        A   7   6.542  -6.507  -0.660
   72    H1*    A   7           H1*        A   7   5.379  -7.107   0.853
   73    H8     A   7           H8         A   7   4.492  -4.839   3.776
   74   1H6     A   7          1H6         A   7  -1.401  -5.530   2.126
   75   2H6     A   7          2H6         A   7  -0.317  -4.897   3.345
   76    H2     A   7           H2         A   7   1.168  -7.387  -1.063
   77   1H5*    G   8          1H5*        G   8   8.311  -0.025  -0.570
   78   2H5*    G   8          2H5*        G   8   8.252   0.061   1.202
   79    H4*    G   8           H4*        G   8   7.138   1.955  -0.258
   80    H3*    G   8           H3*        G   8   6.112   0.626   2.250
   81    H2*    G   8           H2*        G   8   4.111   1.879   2.174
   82   2HO*    G   8          2HO*        G   8   4.918   3.918   1.650
   83    H1*    G   8           H1*        G   8   3.625   1.623  -0.486
   84    H8     G   8           H8         G   8   5.131  -1.629   0.585
   85    H1     G   8           H1         G   8  -0.913  -1.041   2.527
   86   1H2     G   8          1H2         G   8  -1.606   1.044   2.230
   87   2H2     G   8          2H2         G   8  -0.580   2.290   1.555
   88   1H5*    G   9          1H5*        G   9   9.688   2.783  -0.258
   89   2H5*    G   9          2H5*        G   9   9.348   4.491  -0.602
   90    H4*    G   9           H4*        G   9   9.987   2.934  -2.583
   91    H3*    G   9           H3*        G   9   7.783   4.979  -2.429
   92    H2*    G   9           H2*        G   9   6.826   4.317  -4.467
   93   2HO*    G   9          2HO*        G   9   8.194   2.763  -5.818
   94    H1*    G   9           H1*        G   9   7.283   1.607  -4.370
   95    H8     G   9           H8         G   9   5.998   3.514  -1.263
   96    H1     G   9           H1         G   9   1.448   0.796  -4.806
   97   1H2     G   9          1H2         G   9   2.331  -0.068  -6.645
   98   2H2     G   9          2H2         G   9   4.041   0.025  -7.000
   99   1H5*    A  10          1H5*        A  10   8.719   4.499  -6.579
  100   2H5*    A  10          2H5*        A  10   9.190   6.117  -7.139
  101    H4*    A  10           H4*        A  10   7.401   5.221  -8.557
  102    H3*    A  10           H3*        A  10   7.128   7.678  -6.951
  103    H2*    A  10           H2*        A  10   4.909   7.379  -6.395
  104   2HO*    A  10          2HO*        A  10   3.524   7.812  -8.010
  105    H1*    A  10           H1*        A  10   4.481   5.067  -8.254
  106    H8     A  10           H8         A  10   4.942   5.486  -4.446
  107   1H6     A  10          1H6         A  10  -0.934   3.719  -3.943
  108   2H6     A  10          2H6         A  10   0.505   4.181  -3.061
  109    H2     A  10           H2         A  10   0.098   3.906  -8.313
  110   1H5*    A  11          1H5*        A  11   5.815   7.712 -12.601
  111   2H5*    A  11          2H5*        A  11   5.060   9.223 -12.049
  112    H4*    A  11           H4*        A  11   3.865   7.699 -13.865
  113    H3*    A  11           H3*        A  11   2.657   9.217 -11.532
  114    H2*    A  11           H2*        A  11   0.505   8.353 -12.068
  115   2HO*    A  11          2HO*        A  11   0.808   6.810 -14.169
  116    H1*    A  11           H1*        A  11   1.239   5.781 -12.497
  117    H8     A  11           H8         A  11   3.448   6.817  -9.684
  118   1H6     A  11          1H6         A  11  -1.425   6.556  -5.916
  119   2H6     A  11          2H6         A  11   0.309   6.716  -5.990
  120    H2     A  11           H2         A  11  -2.908   6.228 -10.141
  121   1H5*    A  12          1H5*        A  12  -0.582   8.812 -13.982
  122   2H5*    A  12          2H5*        A  12  -0.813  10.434 -14.667
  123    H4*    A  12           H4*        A  12  -2.950   9.794 -13.840
  124    H3*    A  12           H3*        A  12  -1.436  11.685 -12.025
  125    H2*    A  12           H2*        A  12  -3.050  11.526 -10.381
  126   2HO*    A  12          2HO*        A  12  -4.840  12.151 -11.514
  127    H1*    A  12           H1*        A  12  -4.052   8.960 -10.920
  128    H8     A  12           H8         A  12  -0.335   9.256 -10.266
  129   1H6     A  12          1H6         A  12  -1.650   8.762  -4.273
  130   2H6     A  12          2H6         A  12  -0.366   8.794  -5.460
  131    H2     A  12           H2         A  12  -5.513   9.225  -6.523
  132   1H5*    C  13          1H5*        C  13  -5.602  13.862 -13.571
  133   2H5*    C  13          2H5*        C  13  -5.417  15.499 -12.911
  134    H4*    C  13           H4*        C  13  -7.501  14.078 -12.217
  135    H3*    C  13           H3*        C  13  -5.695  15.688 -10.377
  136    H2*    C  13           H2*        C  13  -7.069  15.041  -8.537
  137   2HO*    C  13          2HO*        C  13  -9.052  13.854  -8.946
  138    H1*    C  13           H1*        C  13  -7.307  12.443  -9.169
  139   1H4     C  13          1H4         C  13  -2.251  12.902  -5.353
  140   2H4     C  13          2H4         C  13  -1.218  13.108  -6.748
  141    H5     C  13           H5         C  13  -2.065  13.345  -8.988
  142    H6     C  13           H6         C  13  -4.078  13.432 -10.373
  143   1H5*    A  14          1H5*        A  14  -9.962  17.495  -9.551
  144   2H5*    A  14          2H5*        A  14  -9.521  19.188  -9.254
  145    H4*    A  14           H4*        A  14 -10.793  18.064  -7.369
  146    H3*    A  14           H3*        A  14  -8.038  19.290  -6.960
  147    H2*    A  14           H2*        A  14  -8.257  18.798  -4.626
  148   2HO*    A  14          2HO*        A  14 -10.627  17.559  -4.491
  149    H1*    A  14           H1*        A  14  -9.142  16.267  -4.927
  150    H8     A  14           H8         A  14  -6.723  16.879  -7.730
  151   1H6     A  14          1H6         A  14  -2.149  15.818  -3.751
  152   2H6     A  14          2H6         A  14  -2.561  16.043  -5.435
  153    H2     A  14           H2         A  14  -5.976  16.147  -1.418
  154   1H5*    G  15          1H5*        G  15  -9.989  20.284  -3.920
  155   2H5*    G  15          2H5*        G  15 -10.345  22.009  -3.706
  156    H4*    G  15           H4*        G  15  -9.547  21.317  -1.597
  157    H3*    G  15           H3*        G  15  -7.337  22.626  -3.238
  158    H2*    G  15           H2*        G  15  -5.868  22.332  -1.378
  159   2HO*    G  15          2HO*        G  15  -6.697  21.657   0.674
  160    H1*    G  15           H1*        G  15  -6.652  19.785  -0.725
  161    H8     G  15           H8         G  15  -6.607  20.088  -4.478
  162    H1     G  15           H1         G  15  -0.796  19.260  -2.033
  163   1H2     G  15          1H2         G  15  -0.852  19.487   0.176
  164   2H2     G  15          2H2         G  15  -2.328  19.848   1.043
  165   1H5*    U  16          1H5*        U  16  -5.310  26.487  -1.812
  166   2H5*    U  16          2H5*        U  16  -5.374  24.942  -2.677
  167    H4*    U  16           H4*        U  16  -4.399  25.205   0.188
  168    H3*    U  16           H3*        U  16  -2.932  25.506  -2.452
  169    H2*    U  16           H2*        U  16  -1.077  24.319  -1.543
  170   2HO*    U  16          2HO*        U  16  -2.391  24.342   0.998
  171    H1*    U  16           H1*        U  16  -2.495  22.311  -0.399
  172    H3     U  16           H3         U  16  -0.349  21.313  -4.441
  173    H5     U  16           H5         U  16  -4.392  22.142  -5.270
  174    H6     U  16           H6         U  16  -4.628  22.948  -3.027
  175   1H5*    U  17          1H5*        U  17   0.647  28.478  -2.409
  176   2H5*    U  17          2H5*        U  17   0.799  26.810  -1.825
  177    H4*    U  17           H4*        U  17   2.398  29.127  -1.147
  178    H3*    U  17           H3*        U  17   2.940  26.502  -1.488
  179    H2*    U  17           H2*        U  17   1.656  25.642   0.332
  180   2HO*    U  17          2HO*        U  17   4.084  26.347   1.663
  181    H1*    U  17           H1*        U  17   2.579  27.745   2.256
  182    H3     U  17           H3         U  17  -0.445  26.166   5.147
  183    H5     U  17           H5         U  17  -2.567  26.202   1.504
  184    H6     U  17           H6         U  17  -0.547  26.957   0.411
  185   1H5*    C  18          1H5*        C  18   5.847  24.362  -0.088
  186   2H5*    C  18          2H5*        C  18   7.142  25.150  -1.012
  187    H4*    C  18           H4*        C  18   6.699  22.704  -1.587
  188    H3*    C  18           H3*        C  18   7.456  24.834  -3.249
  189    H2*    C  18           H2*        C  18   5.312  25.149  -4.246
  190   2HO*    C  18          2HO*        C  18   6.043  22.877  -5.776
  191    H1*    C  18           H1*        C  18   4.896  22.146  -4.203
  192   1H4     C  18          1H4         C  18  -0.707  24.365  -6.322
  193   2H4     C  18          2H4         C  18  -1.057  24.960  -4.715
  194    H5     C  18           H5         C  18   0.536  24.911  -2.910
  195    H6     C  18           H6         C  18   2.810  24.277  -2.255
  196   1H5*    G  19          1H5*        G  19   7.898  19.373  -3.025
  197   2H5*    G  19          2H5*        G  19   7.094  20.938  -2.800
  198    H4*    G  19           H4*        G  19   8.963  19.794  -0.702
  199    H3*    G  19           H3*        G  19   6.002  19.233  -1.150
  200    H2*    G  19           H2*        G  19   5.755  19.173   1.203
  201   2HO*    G  19          2HO*        G  19   7.781  19.168   2.524
  202    H1*    G  19           H1*        G  19   7.634  21.182   1.768
  203    H8     G  19           H8         G  19   5.875  22.528   3.023
  204    H1     G  19           H1         G  19   1.524  21.991  -1.607
  205   1H2     G  19          1H2         G  19   2.348  20.791  -3.280
  206   2H2     G  19          2H2         G  19   3.966  20.127  -3.254
  207   1H5*    C  20          1H5*        C  20   6.842  17.055   1.627
  208   2H5*    C  20          2H5*        C  20   6.070  15.463   1.760
  209    H4*    C  20           H4*        C  20   5.292  17.102   3.493
  210    H3*    C  20           H3*        C  20   3.430  15.776   1.519
  211    H2*    C  20           H2*        C  20   1.565  16.998   2.337
  212   2HO*    C  20          2HO*        C  20   3.245  17.943   4.456
  213    H1*    C  20           H1*        C  20   2.721  19.433   2.479
  214   1H4     C  20          1H4         C  20   0.375  18.614  -3.430
  215   2H4     C  20          2H4         C  20   1.975  18.150  -3.963
  216    H5     C  20           H5         C  20   3.826  17.839  -2.469
  217    H6     C  20           H6         C  20   4.560  17.913  -0.135
  218   1H5*    U  21          1H5*        U  21   1.558  15.840   4.510
  219   2H5*    U  21          2H5*        U  21   1.473  14.537   5.712
  220    H4*    U  21           H4*        U  21  -0.732  15.152   5.762
  221    H3*    U  21           H3*        U  21  -0.441  13.257   3.406
  222    H2*    U  21           H2*        U  21  -2.750  13.577   2.900
  223   2HO*    U  21          2HO*        U  21  -3.007  15.067   5.325
  224    H1*    U  21           H1*        U  21  -2.800  16.280   3.237
  225    H3     U  21           H3         U  21  -2.994  15.687  -1.253
  226    H5     U  21           H5         U  21   1.055  15.013  -0.290
  227    H6     U  21           H6         U  21   0.448  15.129   2.058
  228   1H5*    G  22          1H5*        G  22  -3.567  12.561   5.088
  229   2H5*    G  22          2H5*        G  22  -4.248  10.972   5.483
  230    H4*    G  22           H4*        G  22  -5.771  12.009   3.954
  231    H3*    G  22           H3*        G  22  -3.994   9.901   2.671
  232    H2*    G  22           H2*        G  22  -5.036  10.303   0.616
  233   2HO*    G  22          2HO*        G  22  -7.195  11.646   1.884
  234    H1*    G  22           H1*        G  22  -5.720  13.005   1.043
  235    H8     G  22           H8         G  22  -2.050  12.206   1.377
  236    H1     G  22           H1         G  22  -3.889  12.947  -4.675
  237   1H2     G  22          1H2         G  22  -6.100  13.044  -4.791
  238   2H2     G  22          2H2         G  22  -7.121  12.928  -3.375
  239   1H5*    U  23          1H5*        U  23  -7.752   9.838   1.997
  240   2H5*    U  23          2H5*        U  23  -8.888   8.586   2.539
  241    H4*    U  23           H4*        U  23  -9.794   9.076   0.469
  242    H3*    U  23           H3*        U  23  -7.671   6.938   0.041
  243    H2*    U  23           H2*        U  23  -8.299   6.921  -2.277
  244   2HO*    U  23          2HO*        U  23 -10.129   8.887  -2.384
  245    H1*    U  23           H1*        U  23  -8.243   9.628  -2.570
  246    H3     U  23           H3         U  23  -4.276   8.373  -4.404
  247    H5     U  23           H5         U  23  -3.644   8.072  -0.245
  248    H6     U  23           H6         U  23  -6.004   8.509   0.091
  249   1H5*    G  24          1H5*        G  24 -11.212   4.754  -1.299
  250   2H5*    G  24          2H5*        G  24 -10.662   3.097  -1.615
  251    H4*    G  24           H4*        G  24 -10.912   4.831  -3.593
  252    H3*    G  24           H3*        G  24  -8.571   2.919  -3.172
  253    H2*    G  24           H2*        G  24  -7.768   3.656  -5.283
  254   2HO*    G  24          2HO*        G  24 -10.096   3.541  -6.111
  255    H1*    G  24           H1*        G  24  -8.567   6.322  -4.977
  256    H8     G  24           H8         G  24  -6.759   5.455  -1.871
  257    H1     G  24           H1         G  24  -2.800   6.041  -6.815
  258   1H2     G  24          1H2         G  24  -3.941   6.067  -8.713
  259   2H2     G  24          2H2         G  24  -5.685   5.936  -8.756
  260   1H5*    C  25          1H5*        C  25  -9.471   1.682  -7.154
  261   2H5*    C  25          2H5*        C  25  -8.765   0.055  -7.205
  262    H4*    C  25           H4*        C  25  -7.571   2.074  -8.430
  263    H3*    C  25           H3*        C  25  -6.300  -0.151  -6.792
  264    H2*    C  25           H2*        C  25  -4.221   0.881  -6.983
  265   2HO*    C  25          2HO*        C  25  -3.527   1.647  -8.867
  266    H1*    C  25           H1*        C  25  -5.177   3.536  -7.601
  267   1H4     C  25          1H4         C  25  -1.345   3.835  -2.513
  268   2H4     C  25          2H4         C  25  -2.711   3.468  -1.483
  269    H5     C  25           H5         C  25  -4.883   2.867  -2.343
  270    H6     C  25           H6         C  25  -6.203   2.486  -4.372
  271   1H5*    C  26          1H5*        C  26  -4.945  -0.985 -10.735
  272   2H5*    C  26          2H5*        C  26  -5.114  -2.652 -11.320
  273    H4*    C  26           H4*        C  26  -2.762  -2.226 -11.161
  274    H3*    C  26           H3*        C  26  -3.999  -4.031  -9.134
  275    H2*    C  26           H2*        C  26  -2.435  -3.570  -7.497
  276   2HO*    C  26          2HO*        C  26  -0.858  -4.879  -8.032
  277    H1*    C  26           H1*        C  26  -0.782  -1.789  -9.237
  278   1H4     C  26          1H4         C  26   0.161   0.903  -3.569
  279   2H4     C  26          2H4         C  26  -1.526   0.730  -3.143
  280    H5     C  26           H5         C  26  -3.148  -0.319  -4.577
  281    H6     C  26           H6         C  26  -3.506  -1.434  -6.727
  282   1H5*    G  27          1H5*        G  27  -2.394  -5.840  -8.393
  283   2H5*    G  27          2H5*        G  27  -2.495  -7.568  -8.801
  284    H4*    G  27           H4*        G  27  -3.343  -7.712  -6.685
  285    H3*    G  27           H3*        G  27  -5.534  -7.214  -8.597
  286    H2*    G  27           H2*        G  27  -6.730  -5.773  -7.248
  287   2HO*    G  27          2HO*        G  27  -7.877  -7.279  -6.253
  288    H1*    G  27           H1*        G  27  -5.043  -6.183  -4.813
  289    H8     G  27           H8         G  27  -4.583  -3.260  -7.174
  290    H1     G  27           H1         G  27  -8.542  -1.967  -2.342
  291   1H2     G  27          1H2         G  27  -9.016  -3.827  -1.231
  292   2H2     G  27          2H2         G  27  -8.356  -5.384  -1.681
  293   1H5*    A  28          1H5*        A  28  -3.690  -9.460  -9.124
  294   2H5*    A  28          2H5*        A  28  -3.399 -11.134  -9.638
  295    H4*    A  28           H4*        A  28  -1.596 -10.833  -8.221
  296    H3*    A  28           H3*        A  28  -3.942 -11.851  -6.593
  297    H2*    A  28           H2*        A  28  -2.703 -11.637  -4.607
  298   2HO*    A  28          2HO*        A  28  -0.355 -11.366  -4.733
  299    H1*    A  28           H1*        A  28  -1.198  -9.386  -5.291
  300    H8     A  28           H8         A  28  -5.039  -9.655  -5.692
  301   1H6     A  28          1H6         A  28  -5.357  -6.661  -0.317
  302   2H6     A  28          2H6         A  28  -6.283  -7.334  -1.639
  303    H2     A  28           H2         A  28  -1.025  -7.442  -1.228
  304   1H5*    A  29          1H5*        A  29   0.254 -13.359  -6.860
  305   2H5*    A  29          2H5*        A  29   0.623 -15.015  -6.339
  306    H4*    A  29           H4*        A  29   2.148 -12.998  -5.556
  307    H3*    A  29           H3*        A  29   1.159 -15.364  -3.930
  308    H2*    A  29           H2*        A  29   2.117 -14.473  -2.003
  309   2HO*    A  29          2HO*        A  29   3.881 -12.792  -2.352
  310    H1*    A  29           H1*        A  29   2.138 -11.722  -2.816
  311    H8     A  29           H8         A  29  -1.129 -13.680  -2.386
  312   1H6     A  29          1H6         A  29  -1.118 -11.702   3.453
  313   2H6     A  29          2H6         A  29  -2.028 -12.569   2.235
  314    H2     A  29           H2         A  29   2.736 -10.419   1.531
  315   1H5*    A  30          1H5*        A  30   6.154 -14.580  -4.647
  316   2H5*    A  30          2H5*        A  30   6.763 -16.145  -4.072
  317    H4*    A  30           H4*        A  30   8.092 -14.150  -3.276
  318    H3*    A  30           H3*        A  30   6.788 -16.123  -1.376
  319    H2*    A  30           H2*        A  30   7.613 -14.911   0.477
  320   2HO*    A  30          2HO*        A  30   9.595 -14.307  -1.264
  321    H1*    A  30           H1*        A  30   7.181 -12.379  -0.473
  322    H8     A  30           H8         A  30   4.242 -14.500  -1.441
  323   1H6     A  30          1H6         A  30   2.043 -13.677   4.250
  324   2H6     A  30          2H6         A  30   1.682 -14.269   2.644
  325    H2     A  30           H2         A  30   6.269 -12.152   4.156
  326   1H5*    G  31          1H5*        G  31   9.871 -15.098   0.741
  327   2H5*    G  31          2H5*        G  31  11.096 -16.369   0.548
  328    H4*    G  31           H4*        G  31  11.192 -16.172   2.833
  329    H3*    G  31           H3*        G  31   8.878 -18.043   2.238
  330    H2*    G  31           H2*        G  31   8.337 -18.123   4.525
  331   2HO*    G  31          2HO*        G  31  10.689 -16.828   5.371
  332    H1*    G  31           H1*        G  31   9.073 -15.506   5.200
  333    H8     G  31           H8         G  31   6.802 -16.032   2.158
  334    H1     G  31           H1         G  31   3.660 -15.530   7.686
  335   1H2     G  31          1H2         G  31   5.094 -15.503   9.374
  336   2H2     G  31          2H2         G  31   6.824 -15.606   9.140
  337   1H5*    G  32          1H5*        G  32  11.454 -19.210   5.684
  338   2H5*    G  32          2H5*        G  32  11.264 -20.942   6.020
  339    H4*    G  32           H4*        G  32  10.529 -19.158   7.820
  340    H3*    G  32           H3*        G  32   9.126 -21.710   6.982
  341    H2*    G  32           H2*        G  32   7.290 -21.210   8.304
  342   2HO*    G  32          2HO*        G  32   8.679 -19.239   9.786
  343    H1*    G  32           H1*        G  32   7.411 -18.417   8.257
  344    H8     G  32           H8         G  32   7.314 -20.044   4.852
  345    H1     G  32           H1         G  32   1.570 -19.717   7.601
  346   1H2     G  32          1H2         G  32   1.776 -19.049   9.707
  347   2H2     G  32          2H2         G  32   3.328 -18.685  10.429
  348   1H5*    U  33          1H5*        U  33   8.769 -20.978  10.820
  349   2H5*    U  33          2H5*        U  33   9.826 -21.947  11.868
  350    H4*    U  33           H4*        U  33   7.993 -21.915  13.235
  351    H3*    U  33           H3*        U  33   7.559 -24.172  11.262
  352    H2*    U  33           H2*        U  33   5.374 -24.531  12.090
  353   2HO*    U  33          2HO*        U  33   6.473 -23.529  14.369
  354    H1*    U  33           H1*        U  33   4.603 -21.938  12.359
  355    H3     U  33           H3         U  33   2.242 -23.137   8.732
  356    H5     U  33           H5         U  33   6.231 -23.291   7.377
  357    H6     U  33           H6         U  33   6.951 -22.792   9.638
  358   1H5*    C  34          1H5*        C  34   5.503 -25.266  14.387
  359   2H5*    C  34          2H5*        C  34   6.255 -26.651  15.202
  360    H4*    C  34           H4*        C  34   4.111 -27.471  15.032
  361    H3*    C  34           H3*        C  34   5.438 -28.052  12.366
  362    H2*    C  34           H2*        C  34   3.456 -29.035  11.609
  363   2HO*    C  34          2HO*        C  34   2.088 -28.963  14.040
  364    H1*    C  34           H1*        C  34   1.703 -27.303  12.947
  365   1H4     C  34          1H4         C  34   1.506 -25.384   6.904
  366   2H4     C  34          2H4         C  34   3.224 -25.061   6.892
  367    H5     C  34           H5         C  34   4.664 -25.488   8.779
  368    H6     C  34           H6         C  34   4.763 -26.315  11.080
  369    H3T    C  34           H3T        C  34   6.147 -29.632  13.580
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  -6.909 -23.786   2.395
    2   2H5*    G   1          2H5*        G   1  -7.464 -22.259   3.111
    3    H4*    G   1           H4*        G   1  -8.526 -23.875   4.441
    4    H3*    G   1           H3*        G   1  -6.009 -22.779   5.665
    5    H2*    G   1           H2*        G   1  -5.968 -24.390   7.403
    6   2HO*    G   1          2HO*        G   1  -8.513 -25.387   6.614
    7    H1*    G   1           H1*        G   1  -6.526 -26.588   5.995
    8    H8     G   1           H8         G   1  -4.694 -25.023   3.329
    9    H1     G   1           H1         G   1  -0.769 -25.960   8.264
   10   1H2     G   1          1H2         G   1  -1.934 -26.400  10.093
   11   2H2     G   1          2H2         G   1  -3.683 -26.464  10.102
   12    H5T    G   1           H5T        G   1  -5.521 -21.972   4.047
   13   1H5*    G   2          1H5*        G   2  -7.486 -23.868   8.929
   14   2H5*    G   2          2H5*        G   2  -8.268 -22.498   9.740
   15    H4*    G   2           H4*        G   2  -7.021 -23.494  11.464
   16    H3*    G   2           H3*        G   2  -5.505 -21.197  10.191
   17    H2*    G   2           H2*        G   2  -3.670 -21.603  11.635
   18   2HO*    G   2          2HO*        G   2  -3.886 -22.532  13.576
   19    H1*    G   2           H1*        G   2  -3.728 -24.343  11.587
   20    H8     G   2           H8         G   2  -4.332 -23.181   8.089
   21    H1     G   2           H1         G   2   1.800 -22.705   9.755
   22   1H2     G   2          1H2         G   2   2.018 -22.995  11.942
   23   2H2     G   2          2H2         G   2   0.652 -23.303  12.990
   24   1H5*    C   3          1H5*        C   3  -4.639 -20.326  14.083
   25   2H5*    C   3          2H5*        C   3  -4.922 -18.593  14.345
   26    H4*    C   3           H4*        C   3  -2.539 -19.214  14.691
   27    H3*    C   3           H3*        C   3  -3.311 -17.349  12.424
   28    H2*    C   3           H2*        C   3  -1.096 -17.258  11.709
   29   2HO*    C   3          2HO*        C   3   0.604 -17.843  13.388
   30    H1*    C   3           H1*        C   3  -0.218 -19.730  12.912
   31   1H4     C   3          1H4         C   3   0.910 -20.050   6.646
   32   2H4     C   3          2H4         C   3  -0.782 -20.389   6.351
   33    H5     C   3           H5         C   3  -2.456 -20.355   8.084
   34    H6     C   3           H6         C   3  -2.870 -19.991  10.470
   35   1H5*    C   4          1H5*        C   4  -0.362 -15.501  15.997
   36   2H5*    C   4          2H5*        C   4  -0.801 -13.785  15.864
   37    H4*    C   4           H4*        C   4   1.664 -14.172  16.124
   38    H3*    C   4           H3*        C   4   0.483 -12.778  13.706
   39    H2*    C   4           H2*        C   4   2.643 -12.519  12.767
   40   2HO*    C   4          2HO*        C   4   4.530 -13.146  14.076
   41    H1*    C   4           H1*        C   4   3.597 -14.990  13.281
   42   1H4     C   4          1H4         C   4   0.916 -15.336   7.518
   43   2H4     C   4          2H4         C   4  -0.681 -15.390   8.230
   44    H5     C   4           H5         C   4  -1.081 -15.183  10.595
   45    H6     C   4           H6         C   4  -0.036 -14.879  12.792
   46   1H5*    U   5          1H5*        U   5   4.292 -11.350  14.142
   47   2H5*    U   5          2H5*        U   5   4.130  -9.677  14.711
   48    H4*    U   5           H4*        U   5   5.719  -9.533  12.973
   49    H3*    U   5           H3*        U   5   2.929  -8.850  11.967
   50    H2*    U   5           H2*        U   5   3.857  -8.418   9.835
   51   2HO*    U   5          2HO*        U   5   6.507  -8.686  10.790
   52    H1*    U   5           H1*        U   5   5.694 -10.477   9.814
   53    H3     U   5           H3         U   5   2.907 -11.821   6.567
   54    H5     U   5           H5         U   5   0.522 -12.033  10.037
   55    H6     U   5           H6         U   5   2.355 -11.042  11.278
   56   1H5*    U   6          1H5*        U   6   5.970  -6.289  10.469
   57   2H5*    U   6          2H5*        U   6   5.321  -4.725   9.937
   58    H4*    U   6           H4*        U   6   6.292  -6.438   8.169
   59    H3*    U   6           H3*        U   6   3.815  -4.703   7.990
   60    H2*    U   6           H2*        U   6   3.128  -5.777   6.056
   61   2HO*    U   6          2HO*        U   6   5.561  -5.167   5.354
   62    H1*    U   6           H1*        U   6   4.864  -8.111   6.311
   63    H3     U   6           H3         U   6   0.981  -9.576   4.415
   64    H5     U   6           H5         U   6  -0.025  -8.712   8.417
   65    H6     U   6           H6         U   6   2.185  -7.743   8.692
   66   1H5*    A   7          1H5*        A   7   7.688  -3.884   5.095
   67   2H5*    A   7          2H5*        A   7   7.327  -2.758   3.770
   68    H4*    A   7           H4*        A   7   8.321  -5.143   3.243
   69    H3*    A   7           H3*        A   7   6.197  -3.557   1.811
   70    H2*    A   7           H2*        A   7   5.638  -5.358   0.388
   71   2HO*    A   7          2HO*        A   7   7.726  -6.007  -0.189
   72    H1*    A   7           H1*        A   7   5.709  -7.387   2.183
   73    H8     A   7           H8         A   7   4.312  -4.512   4.097
   74   1H6     A   7          1H6         A   7  -1.061  -5.375   1.215
   75   2H6     A   7          2H6         A   7  -0.250  -4.531   2.516
   76    H2     A   7           H2         A   7   2.036  -7.919  -0.819
   77   1H5*    G   8          1H5*        G   8   8.520  -0.761  -1.161
   78   2H5*    G   8          2H5*        G   8   8.495  -0.398   0.576
   79    H4*    G   8           H4*        G   8   7.258   1.192  -1.138
   80    H3*    G   8           H3*        G   8   6.271   0.224   1.558
   81    H2*    G   8           H2*        G   8   4.312   1.528   1.287
   82   2HO*    G   8          2HO*        G   8   4.480   2.735  -1.020
   83    H1*    G   8           H1*        G   8   3.867   0.885  -1.338
   84    H8     G   8           H8         G   8   5.112  -2.210   0.376
   85    H1     G   8           H1         G   8  -0.974  -0.949   1.799
   86   1H2     G   8          1H2         G   8  -1.512   1.082   1.093
   87   2H2     G   8          2H2         G   8  -0.374   2.125   0.271
   88   1H5*    G   9          1H5*        G   9   9.819   1.983  -1.306
   89   2H5*    G   9          2H5*        G   9   9.479   3.617  -1.915
   90    H4*    G   9           H4*        G   9   9.993   1.657  -3.604
   91    H3*    G   9           H3*        G   9   8.039   3.931  -3.759
   92    H2*    G   9           H2*        G   9   6.870   3.046  -5.580
   93   2HO*    G   9          2HO*        G   9   8.192   1.047  -6.577
   94    H1*    G   9           H1*        G   9   7.133   0.336  -5.108
   95    H8     G   9           H8         G   9   6.081   2.685  -2.242
   96    H1     G   9           H1         G   9   1.231   0.165  -5.529
   97   1H2     G   9          1H2         G   9   2.008  -0.976  -7.266
   98   2H2     G   9          2H2         G   9   3.718  -1.113  -7.612
   99   1H5*    A  10          1H5*        A  10   8.595   3.399  -7.346
  100   2H5*    A  10          2H5*        A  10   9.444   4.664  -8.258
  101    H4*    A  10           H4*        A  10   7.485   4.459  -9.494
  102    H3*    A  10           H3*        A  10   7.450   6.691  -7.554
  103    H2*    A  10           H2*        A  10   5.215   6.493  -7.018
  104   2HO*    A  10          2HO*        A  10   5.258   7.674  -9.251
  105    H1*    A  10           H1*        A  10   4.639   4.489  -9.179
  106    H8     A  10           H8         A  10   5.030   4.374  -5.340
  107   1H6     A  10          1H6         A  10  -0.963   2.989  -5.163
  108   2H6     A  10          2H6         A  10   0.483   3.228  -4.209
  109    H2     A  10           H2         A  10   0.186   3.667  -9.457
  110   1H5*    A  11          1H5*        A  11   6.252   7.641 -13.119
  111   2H5*    A  11          2H5*        A  11   5.510   9.097 -12.421
  112    H4*    A  11           H4*        A  11   4.353   7.818 -14.448
  113    H3*    A  11           H3*        A  11   3.095   9.113 -12.007
  114    H2*    A  11           H2*        A  11   0.944   8.371 -12.700
  115   2HO*    A  11          2HO*        A  11   2.251   7.863 -15.183
  116    H1*    A  11           H1*        A  11   1.626   5.838 -13.365
  117    H8     A  11           H8         A  11   3.769   6.480 -10.389
  118   1H6     A  11          1H6         A  11  -1.261   6.158  -6.832
  119   2H6     A  11          2H6         A  11   0.480   6.225  -6.828
  120    H2     A  11           H2         A  11  -2.585   6.300 -11.120
  121   1H5*    A  12          1H5*        A  12  -0.128   9.268 -14.607
  122   2H5*    A  12          2H5*        A  12  -0.157  10.981 -15.076
  123    H4*    A  12           H4*        A  12  -2.390  10.454 -14.417
  124    H3*    A  12           H3*        A  12  -0.769  12.004 -12.396
  125    H2*    A  12           H2*        A  12  -2.358  11.775 -10.753
  126   2HO*    A  12          2HO*        A  12  -4.570  11.022 -12.164
  127    H1*    A  12           H1*        A  12  -3.651   9.419 -11.589
  128    H8     A  12           H8         A  12   0.073   9.279 -10.906
  129   1H6     A  12          1H6         A  12  -1.358   8.181  -5.018
  130   2H6     A  12          2H6         A  12  -0.059   8.245  -6.189
  131    H2     A  12           H2         A  12  -5.135   9.246  -7.208
  132   1H5*    C  13          1H5*        C  13  -4.718  14.584 -13.975
  133   2H5*    C  13          2H5*        C  13  -4.691  16.080 -13.020
  134    H4*    C  13           H4*        C  13  -6.770  14.456 -12.893
  135    H3*    C  13           H3*        C  13  -5.389  15.971 -10.662
  136    H2*    C  13           H2*        C  13  -6.850  14.986  -9.059
  137   2HO*    C  13          2HO*        C  13  -8.494  13.420 -10.313
  138    H1*    C  13           H1*        C  13  -6.763  12.446  -9.984
  139   1H4     C  13          1H4         C  13  -2.065  12.992  -5.717
  140   2H4     C  13          2H4         C  13  -0.940  13.254  -7.028
  141    H5     C  13           H5         C  13  -1.629  13.531  -9.317
  142    H6     C  13           H6         C  13  -3.536  13.611 -10.842
  143   1H5*    A  14          1H5*        A  14  -8.714  16.421  -9.425
  144   2H5*    A  14          2H5*        A  14  -9.494  18.006  -9.595
  145    H4*    A  14           H4*        A  14  -9.817  17.708  -7.338
  146    H3*    A  14           H3*        A  14  -7.024  18.875  -7.639
  147    H2*    A  14           H2*        A  14  -6.761  18.737  -5.288
  148   2HO*    A  14          2HO*        A  14  -9.046  17.888  -4.310
  149    H1*    A  14           H1*        A  14  -8.039  16.334  -4.911
  150    H8     A  14           H8         A  14  -5.677  16.339  -7.893
  151   1H6     A  14          1H6         A  14  -1.159  15.033  -3.923
  152   2H6     A  14          2H6         A  14  -1.584  15.186  -5.613
  153    H2     A  14           H2         A  14  -4.866  15.976  -1.559
  154   1H5*    G  15          1H5*        G  15  -9.824  20.708  -4.502
  155   2H5*    G  15          2H5*        G  15  -9.532  22.458  -4.504
  156    H4*    G  15           H4*        G  15  -9.622  21.510  -2.205
  157    H3*    G  15           H3*        G  15  -7.103  22.819  -3.269
  158    H2*    G  15           H2*        G  15  -5.987  22.399  -1.205
  159   2HO*    G  15          2HO*        G  15  -7.581  22.957   0.267
  160    H1*    G  15           H1*        G  15  -6.826  19.838  -0.850
  161    H8     G  15           H8         G  15  -6.349  20.609  -4.528
  162    H1     G  15           H1         G  15  -0.940  19.011  -1.578
  163   1H2     G  15          1H2         G  15  -1.263  18.926   0.618
  164   2H2     G  15          2H2         G  15  -2.815  19.266   1.351
  165   1H5*    U  16          1H5*        U  16  -5.370  26.619  -1.391
  166   2H5*    U  16          2H5*        U  16  -5.294  25.122  -2.336
  167    H4*    U  16           H4*        U  16  -4.784  25.239   0.658
  168    H3*    U  16           H3*        U  16  -2.917  25.631  -1.705
  169    H2*    U  16           H2*        U  16  -1.236  24.386  -0.565
  170   2HO*    U  16          2HO*        U  16  -2.957  24.618   1.713
  171    H1*    U  16           H1*        U  16  -2.827  22.349   0.254
  172    H3     U  16           H3         U  16  -0.087  21.491  -3.446
  173    H5     U  16           H5         U  16  -3.926  22.445  -4.872
  174    H6     U  16           H6         U  16  -4.515  23.137  -2.646
  175   1H5*    U  17          1H5*        U  17   0.778  28.127  -1.017
  176   2H5*    U  17          2H5*        U  17   0.658  26.431  -0.513
  177    H4*    U  17           H4*        U  17   2.439  28.488   0.465
  178    H3*    U  17           H3*        U  17   2.671  25.821   0.064
  179    H2*    U  17           H2*        U  17   1.108  25.077   1.703
  180   2HO*    U  17          2HO*        U  17   3.727  25.171   2.648
  181    H1*    U  17           H1*        U  17   2.042  27.002   3.799
  182    H3     U  17           H3         U  17  -1.443  25.560   6.220
  183    H5     U  17           H5         U  17  -3.154  26.292   2.437
  184    H6     U  17           H6         U  17  -0.942  26.823   1.613
  185   1H5*    C  18          1H5*        C  18   5.525  23.310   1.329
  186   2H5*    C  18          2H5*        C  18   6.862  24.378   0.855
  187    H4*    C  18           H4*        C  18   6.841  22.125  -0.303
  188    H3*    C  18           H3*        C  18   7.548  24.609  -1.336
  189    H2*    C  18           H2*        C  18   5.504  25.019  -2.495
  190   2HO*    C  18          2HO*        C  18   7.394  24.638  -4.008
  191    H1*    C  18           H1*        C  18   5.356  22.103  -3.288
  192   1H4     C  18          1H4         C  18  -0.299  24.281  -5.243
  193   2H4     C  18          2H4         C  18  -0.715  24.731  -3.603
  194    H5     C  18           H5         C  18   0.819  24.548  -1.754
  195    H6     C  18           H6         C  18   3.082  23.895  -1.078
  196   1H5*    G  19          1H5*        G  19   7.920  19.009  -2.142
  197   2H5*    G  19          2H5*        G  19   7.068  20.518  -1.760
  198    H4*    G  19           H4*        G  19   8.847  19.105   0.257
  199    H3*    G  19           H3*        G  19   5.901  18.673  -0.387
  200    H2*    G  19           H2*        G  19   5.543  18.310   1.927
  201   2HO*    G  19          2HO*        G  19   8.001  17.275   1.800
  202    H1*    G  19           H1*        G  19   7.357  20.232   2.832
  203    H8     G  19           H8         G  19   5.505  21.454   4.073
  204    H1     G  19           H1         G  19   1.552  21.465  -0.936
  205   1H2     G  19          1H2         G  19   2.522  20.419  -2.650
  206   2H2     G  19          2H2         G  19   4.125  19.734  -2.546
  207   1H5*    C  20          1H5*        C  20   6.535  16.169   2.199
  208   2H5*    C  20          2H5*        C  20   5.640  14.640   2.109
  209    H4*    C  20           H4*        C  20   4.895  16.185   3.962
  210    H3*    C  20           H3*        C  20   3.068  15.105   1.813
  211    H2*    C  20           H2*        C  20   1.224  16.342   2.650
  212   2HO*    C  20          2HO*        C  20   2.791  17.183   4.882
  213    H1*    C  20           H1*        C  20   2.477  18.703   3.035
  214   1H4     C  20          1H4         C  20   0.400  18.572  -3.017
  215   2H4     C  20          2H4         C  20   1.999  18.069  -3.516
  216    H5     C  20           H5         C  20   3.745  17.502  -1.975
  217    H6     C  20           H6         C  20   4.358  17.305   0.385
  218   1H5*    U  21          1H5*        U  21   1.005  15.020   4.663
  219   2H5*    U  21          2H5*        U  21   0.848  13.623   5.746
  220    H4*    U  21           H4*        U  21  -1.350  14.244   5.738
  221    H3*    U  21           H3*        U  21  -0.916  12.534   3.283
  222    H2*    U  21           H2*        U  21  -3.134  12.966   2.535
  223   2HO*    U  21          2HO*        U  21  -4.025  14.575   4.559
  224    H1*    U  21           H1*        U  21  -3.168  15.631   2.999
  225    H3     U  21           H3         U  21  -2.569  15.297  -1.474
  226    H5     U  21           H5         U  21   1.216  14.372   0.128
  227    H6     U  21           H6         U  21   0.214  14.417   2.340
  228   1H5*    G  22          1H5*        G  22  -4.149  11.795   4.563
  229   2H5*    G  22          2H5*        G  22  -4.929  10.226   4.844
  230    H4*    G  22           H4*        G  22  -6.231  11.300   3.166
  231    H3*    G  22           H3*        G  22  -4.301   9.252   2.009
  232    H2*    G  22           H2*        G  22  -5.096   9.755  -0.126
  233   2HO*    G  22          2HO*        G  22  -7.294  11.093   0.013
  234    H1*    G  22           H1*        G  22  -5.931  12.418   0.405
  235    H8     G  22           H8         G  22  -2.274  11.712   0.934
  236    H1     G  22           H1         G  22  -3.734  12.746  -5.182
  237   1H2     G  22          1H2         G  22  -5.933  12.795  -5.438
  238   2H2     G  22          2H2         G  22  -7.040  12.572  -4.101
  239   1H5*    U  23          1H5*        U  23  -8.027   9.212   1.060
  240   2H5*    U  23          2H5*        U  23  -9.192   7.912   1.383
  241    H4*    U  23           H4*        U  23  -9.899   8.631  -0.710
  242    H3*    U  23           H3*        U  23  -7.817   6.446  -1.103
  243    H2*    U  23           H2*        U  23  -8.229   6.618  -3.460
  244   2HO*    U  23          2HO*        U  23 -10.180   7.148  -4.080
  245    H1*    U  23           H1*        U  23  -8.090   9.339  -3.549
  246    H3     U  23           H3         U  23  -4.036   8.068  -5.187
  247    H5     U  23           H5         U  23  -3.708   7.547  -1.008
  248    H6     U  23           H6         U  23  -6.075   8.014  -0.817
  249   1H5*    G  24          1H5*        G  24 -11.365   4.671  -2.829
  250   2H5*    G  24          2H5*        G  24 -11.013   2.987  -3.265
  251    H4*    G  24           H4*        G  24 -10.902   4.852  -5.102
  252    H3*    G  24           H3*        G  24  -8.751   2.733  -4.654
  253    H2*    G  24           H2*        G  24  -7.757   3.543  -6.655
  254   2HO*    G  24          2HO*        G  24  -9.813   3.586  -7.810
  255    H1*    G  24           H1*        G  24  -8.414   6.236  -6.208
  256    H8     G  24           H8         G  24  -6.811   5.024  -3.099
  257    H1     G  24           H1         G  24  -2.597   5.731  -7.810
  258   1H2     G  24          1H2         G  24  -3.642   5.997  -9.738
  259   2H2     G  24          2H2         G  24  -5.386   5.994  -9.867
  260   1H5*    C  25          1H5*        C  25  -9.534   1.802  -8.748
  261   2H5*    C  25          2H5*        C  25  -8.903   0.148  -8.885
  262    H4*    C  25           H4*        C  25  -7.559   2.182  -9.911
  263    H3*    C  25           H3*        C  25  -6.443  -0.175  -8.340
  264    H2*    C  25           H2*        C  25  -4.303   0.748  -8.536
  265   2HO*    C  25          2HO*        C  25  -3.647   1.440 -10.424
  266    H1*    C  25           H1*        C  25  -5.134   3.477  -8.878
  267   1H4     C  25          1H4         C  25  -1.453   3.051  -3.687
  268   2H4     C  25          2H4         C  25  -2.872   2.678  -2.735
  269    H5     C  25           H5         C  25  -5.048   2.299  -3.705
  270    H6     C  25           H6         C  25  -6.321   2.195  -5.796
  271   1H5*    C  26          1H5*        C  26  -4.867  -1.693 -12.007
  272   2H5*    C  26          2H5*        C  26  -5.339  -3.400 -12.119
  273    H4*    C  26           H4*        C  26  -2.955  -3.309 -11.723
  274    H3*    C  26           H3*        C  26  -4.720  -4.238  -9.465
  275    H2*    C  26           H2*        C  26  -3.051  -3.931  -7.890
  276   2HO*    C  26          2HO*        C  26  -1.205  -4.888  -9.850
  277    H1*    C  26           H1*        C  26  -1.124  -2.705  -9.780
  278   1H4     C  26          1H4         C  26  -0.164   0.768  -4.565
  279   2H4     C  26          2H4         C  26  -1.883   0.922  -4.279
  280    H5     C  26           H5         C  26  -3.550  -0.107  -5.678
  281    H6     C  26           H6         C  26  -3.931  -1.510  -7.651
  282   1H5*    G  27          1H5*        G  27  -3.286  -6.302  -8.335
  283   2H5*    G  27          2H5*        G  27  -3.672  -8.036  -8.397
  284    H4*    G  27           H4*        G  27  -4.258  -7.674  -6.218
  285    H3*    G  27           H3*        G  27  -6.598  -7.069  -7.959
  286    H2*    G  27           H2*        G  27  -7.534  -5.508  -6.556
  287   2HO*    G  27          2HO*        G  27  -7.119  -6.426  -4.095
  288    H1*    G  27           H1*        G  27  -5.433  -5.543  -4.479
  289    H8     G  27           H8         G  27  -5.098  -3.331  -7.519
  290    H1     G  27           H1         G  27  -8.263  -0.531  -2.741
  291   1H2     G  27          1H2         G  27  -8.718  -2.020  -1.160
  292   2H2     G  27          2H2         G  27  -8.241  -3.699  -1.285
  293   1H5*    A  28          1H5*        A  28  -3.282 -10.479  -8.761
  294   2H5*    A  28          2H5*        A  28  -4.526 -11.611  -8.202
  295    H4*    A  28           H4*        A  28  -2.386 -11.128  -6.722
  296    H3*    A  28           H3*        A  28  -5.271 -11.405  -5.795
  297    H2*    A  28           H2*        A  28  -4.567 -11.007  -3.597
  298   2HO*    A  28          2HO*        A  28  -2.813 -11.935  -2.847
  299    H1*    A  28           H1*        A  28  -2.235  -9.474  -4.250
  300    H8     A  28           H8         A  28  -5.991  -8.798  -4.933
  301   1H6     A  28          1H6         A  28  -5.667  -4.832  -0.231
  302   2H6     A  28          2H6         A  28  -6.703  -5.511  -1.464
  303    H2     A  28           H2         A  28  -1.635  -6.770  -0.702
  304   1H5*    A  29          1H5*        A  29  -1.596 -13.236  -5.597
  305   2H5*    A  29          2H5*        A  29  -1.075 -14.870  -5.138
  306    H4*    A  29           H4*        A  29   0.594 -12.979  -4.677
  307    H3*    A  29           H3*        A  29  -0.375 -14.992  -2.634
  308    H2*    A  29           H2*        A  29   0.768 -13.914  -0.922
  309   2HO*    A  29          2HO*        A  29   2.560 -12.328  -1.829
  310    H1*    A  29           H1*        A  29   0.902 -11.303  -2.069
  311    H8     A  29           H8         A  29  -2.516 -12.814  -1.354
  312   1H6     A  29          1H6         A  29  -2.022 -10.474   4.327
  313   2H6     A  29          2H6         A  29  -3.086 -11.288   3.199
  314    H2     A  29           H2         A  29   1.895  -9.859   2.215
  315   1H5*    A  30          1H5*        A  30   3.760 -13.605  -3.548
  316   2H5*    A  30          2H5*        A  30   4.836 -15.002  -3.757
  317    H4*    A  30           H4*        A  30   6.244 -13.305  -2.902
  318    H3*    A  30           H3*        A  30   5.291 -15.217  -0.747
  319    H2*    A  30           H2*        A  30   6.511 -13.992   0.876
  320   2HO*    A  30          2HO*        A  30   7.951 -12.247   0.124
  321    H1*    A  30           H1*        A  30   5.884 -11.484   0.010
  322    H8     A  30           H8         A  30   2.865 -13.707  -0.353
  323   1H6     A  30          1H6         A  30   1.693 -12.701   5.603
  324   2H6     A  30          2H6         A  30   1.073 -13.377   4.114
  325    H2     A  30           H2         A  30   5.768 -11.046   4.686
  326   1H5*    G  31          1H5*        G  31   8.757 -14.329   0.558
  327   2H5*    G  31          2H5*        G  31   9.916 -15.635   0.245
  328    H4*    G  31           H4*        G  31  10.427 -15.185   2.453
  329    H3*    G  31           H3*        G  31   8.157 -17.207   2.446
  330    H2*    G  31           H2*        G  31   8.107 -17.140   4.802
  331   2HO*    G  31          2HO*        G  31  10.777 -16.391   4.455
  332    H1*    G  31           H1*        G  31   8.707 -14.433   5.122
  333    H8     G  31           H8         G  31   6.005 -15.236   2.558
  334    H1     G  31           H1         G  31   3.835 -14.954   8.545
  335   1H2     G  31          1H2         G  31   5.533 -14.767   9.958
  336   2H2     G  31          2H2         G  31   7.198 -14.715   9.424
  337   1H5*    G  32          1H5*        G  32  11.765 -18.424   5.349
  338   2H5*    G  32          2H5*        G  32  11.568 -20.186   5.444
  339    H4*    G  32           H4*        G  32  11.567 -18.787   7.656
  340    H3*    G  32           H3*        G  32   9.620 -20.987   6.882
  341    H2*    G  32           H2*        G  32   8.516 -20.717   8.962
  342   2HO*    G  32          2HO*        G  32   9.605 -20.182  10.701
  343    H1*    G  32           H1*        G  32   8.623 -17.967   9.081
  344    H8     G  32           H8         G  32   7.791 -19.227   5.600
  345    H1     G  32           H1         G  32   2.747 -19.154   9.495
  346   1H2     G  32          1H2         G  32   3.398 -18.723  11.573
  347   2H2     G  32          2H2         G  32   5.074 -18.455  11.997
  348   1H5*    U  33          1H5*        U  33  10.432 -22.626  10.618
  349   2H5*    U  33          2H5*        U  33  10.155 -24.364  10.383
  350    H4*    U  33           H4*        U  33   8.363 -22.912  11.658
  351    H3*    U  33           H3*        U  33   7.904 -25.054   9.561
  352    H2*    U  33           H2*        U  33   5.635 -24.585   9.505
  353   2HO*    U  33          2HO*        U  33   4.604 -23.630  11.425
  354    H1*    U  33           H1*        U  33   5.745 -21.914  10.557
  355    H3     U  33           H3         U  33   2.777 -22.342   7.038
  356    H5     U  33           H5         U  33   6.591 -21.785   5.327
  357    H6     U  33           H6         U  33   7.550 -22.068   7.537
  358   1H5*    C  34          1H5*        C  34   5.979 -25.930  13.447
  359   2H5*    C  34          2H5*        C  34   6.162 -27.605  14.005
  360    H4*    C  34           H4*        C  34   3.850 -27.145  14.248
  361    H3*    C  34           H3*        C  34   4.471 -28.603  11.668
  362    H2*    C  34           H2*        C  34   2.211 -28.624  11.100
  363   2HO*    C  34          2HO*        C  34   1.897 -28.640  13.839
  364    H1*    C  34           H1*        C  34   1.540 -26.138  12.192
  365   1H4     C  34          1H4         C  34   1.779 -25.385   5.883
  366   2H4     C  34          2H4         C  34   3.527 -25.413   5.921
  367    H5     C  34           H5         C  34   4.799 -25.838   7.920
  368    H6     C  34           H6         C  34   4.671 -26.322  10.322
  369    H3T    C  34           H3T        C  34   4.277 -29.255  14.219
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  -4.014 -26.794  -0.532
    2   2H5*    G   1          2H5*        G   1  -5.420 -25.731  -0.325
    3    H4*    G   1           H4*        G   1  -6.067 -27.493   1.019
    4    H3*    G   1           H3*        G   1  -4.554 -25.458   2.638
    5    H2*    G   1           H2*        G   1  -4.384 -26.872   4.525
    6   2HO*    G   1          2HO*        G   1  -5.642 -29.087   4.027
    7    H1*    G   1           H1*        G   1  -3.745 -29.181   3.308
    8    H8     G   1           H8         G   1  -1.982 -26.878   1.081
    9    H1     G   1           H1         G   1   0.702 -26.842   6.864
   10   1H2     G   1          1H2         G   1  -0.634 -27.836   8.327
   11   2H2     G   1          2H2         G   1  -2.186 -28.507   7.878
   12    H5T    G   1           H5T        G   1  -4.161 -24.324   0.540
   13   1H5*    G   2          1H5*        G   2  -6.280 -26.980   5.688
   14   2H5*    G   2          2H5*        G   2  -7.821 -26.112   5.838
   15    H4*    G   2           H4*        G   2  -7.252 -26.103   8.054
   16    H3*    G   2           H3*        G   2  -5.778 -23.760   6.818
   17    H2*    G   2           H2*        G   2  -4.718 -23.336   8.893
   18   2HO*    G   2          2HO*        G   2  -5.486 -24.194  10.836
   19    H1*    G   2           H1*        G   2  -4.273 -25.947   9.645
   20    H8     G   2           H8         G   2  -3.503 -25.526   5.982
   21    H1     G   2           H1         G   2   1.181 -23.386   9.735
   22   1H2     G   2          1H2         G   2   0.491 -23.312  11.843
   23   2H2     G   2          2H2         G   2  -1.121 -23.791  12.322
   24   1H5*    C   3          1H5*        C   3  -7.080 -21.776  10.384
   25   2H5*    C   3          2H5*        C   3  -7.371 -20.110   9.843
   26    H4*    C   3           H4*        C   3  -5.336 -20.639  11.434
   27    H3*    C   3           H3*        C   3  -5.500 -18.794   9.055
   28    H2*    C   3           H2*        C   3  -3.205 -18.661   8.854
   29   2HO*    C   3          2HO*        C   3  -1.915 -18.418  10.786
   30    H1*    C   3           H1*        C   3  -2.585 -20.751  10.849
   31   1H4     C   3          1H4         C   3   1.475 -21.429   5.961
   32   2H4     C   3          2H4         C   3   0.233 -22.281   5.073
   33    H5     C   3           H5         C   3  -2.035 -22.498   5.855
   34    H6     C   3           H6         C   3  -3.602 -21.948   7.657
   35   1H5*    C   4          1H5*        C   4  -4.352 -16.618  13.405
   36   2H5*    C   4          2H5*        C   4  -4.815 -14.936  13.076
   37    H4*    C   4           H4*        C   4  -2.609 -15.170  14.256
   38    H3*    C   4           H3*        C   4  -2.956 -13.779  11.602
   39    H2*    C   4           H2*        C   4  -0.646 -13.472  11.330
   40   2HO*    C   4          2HO*        C   4   0.070 -14.377  13.881
   41    H1*    C   4           H1*        C   4   0.279 -15.819  12.291
   42   1H4     C   4          1H4         C   4  -0.147 -16.507   5.984
   43   2H4     C   4          2H4         C   4  -1.885 -16.686   6.086
   44    H5     C   4           H5         C   4  -3.117 -16.461   8.151
   45    H6     C   4           H6         C   4  -2.945 -16.026  10.556
   46   1H5*    U   5          1H5*        U   5   0.379 -11.824  14.090
   47   2H5*    U   5          2H5*        U   5  -0.104 -10.118  14.029
   48    H4*    U   5           H4*        U   5   2.286 -10.468  13.404
   49    H3*    U   5           H3*        U   5   0.295  -9.321  11.427
   50    H2*    U   5           H2*        U   5   2.002  -9.132   9.795
   51   2HO*    U   5          2HO*        U   5   4.264  -9.715  10.593
   52    H1*    U   5           H1*        U   5   3.256 -11.513  10.262
   53    H3     U   5           H3         U   5   1.258 -12.225   6.291
   54    H5     U   5           H5         U   5  -1.956 -12.154   9.016
   55    H6     U   5           H6         U   5  -0.382 -11.504  10.750
   56   1H5*    U   6          1H5*        U   6   3.924  -6.806  10.914
   57   2H5*    U   6          2H5*        U   6   3.251  -5.190  10.619
   58    H4*    U   6           H4*        U   6   4.671  -6.279   8.738
   59    H3*    U   6           H3*        U   6   1.989  -4.924   8.475
   60    H2*    U   6           H2*        U   6   1.660  -5.741   6.340
   61   2HO*    U   6          2HO*        U   6   4.032  -6.096   5.249
   62    H1*    U   6           H1*        U   6   3.870  -7.675   6.354
   63    H3     U   6           H3         U   6   0.809  -9.633   3.642
   64    H5     U   6           H5         U   6  -1.039  -9.577   7.430
   65    H6     U   6           H6         U   6   0.813  -8.234   8.239
   66   1H5*    A   7          1H5*        A   7   6.067  -3.078   5.962
   67   2H5*    A   7          2H5*        A   7   5.370  -1.667   5.140
   68    H4*    A   7           H4*        A   7   6.871  -3.358   3.796
   69    H3*    A   7           H3*        A   7   4.386  -1.878   3.022
   70    H2*    A   7           H2*        A   7   3.923  -3.163   1.121
   71   2HO*    A   7          2HO*        A   7   5.576  -4.540   0.189
   72    H1*    A   7           H1*        A   7   4.678  -5.636   1.950
   73    H8     A   7           H8         A   7   2.951  -3.592   4.666
   74   1H6     A   7          1H6         A   7  -2.376  -5.726   2.432
   75   2H6     A   7          2H6         A   7  -1.626  -4.815   3.723
   76    H2     A   7           H2         A   7   0.915  -7.004  -0.348
   77   1H5*    G   8          1H5*        G   8   8.569  -2.034  -1.714
   78   2H5*    G   8          2H5*        G   8   9.470  -1.642  -0.237
   79    H4*    G   8           H4*        G   8   8.759   0.332  -1.683
   80    H3*    G   8           H3*        G   8   8.785   0.030   1.166
   81    H2*    G   8           H2*        G   8   6.622   0.638   1.675
   82   2HO*    G   8          2HO*        G   8   6.909   2.688   2.066
   83    H1*    G   8           H1*        G   8   5.897   1.882  -0.909
   84    H8     G   8           H8         G   8   5.161  -1.738  -0.047
   85    H1     G   8           H1         G   8   0.415   2.234   1.494
   86   1H2     G   8          1H2         G   8   1.075   4.337   1.244
   87   2H2     G   8          2H2         G   8   2.682   4.760   0.700
   88   1H5*    G   9          1H5*        G   9  10.800   0.868  -2.741
   89   2H5*    G   9          2H5*        G   9  10.827   2.635  -2.910
   90    H4*    G   9           H4*        G   9  10.969   1.422  -5.097
   91    H3*    G   9           H3*        G   9   8.891   3.452  -4.393
   92    H2*    G   9           H2*        G   9   7.490   2.981  -6.206
   93   2HO*    G   9          2HO*        G   9   9.870   1.979  -7.374
   94    H1*    G   9           H1*        G   9   7.817   0.294  -6.477
   95    H8     G   9           H8         G   9   7.516   1.668  -2.897
   96    H1     G   9           H1         G   9   1.968  -0.038  -5.538
   97   1H2     G   9          1H2         G   9   2.266  -0.558  -7.673
   98   2H2     G   9          2H2         G   9   3.833  -0.484  -8.448
   99   1H5*    A  10          1H5*        A  10   9.211   3.276  -9.088
  100   2H5*    A  10          2H5*        A  10   9.332   5.024  -9.377
  101    H4*    A  10           H4*        A  10   7.375   3.756 -10.500
  102    H3*    A  10           H3*        A  10   7.467   6.381  -9.179
  103    H2*    A  10           H2*        A  10   5.430   6.233  -8.115
  104   2HO*    A  10          2HO*        A  10   4.618   7.114 -10.042
  105    H1*    A  10           H1*        A  10   4.541   3.744  -9.511
  106    H8     A  10           H8         A  10   5.981   4.493  -6.009
  107   1H6     A  10          1H6         A  10   0.376   3.209  -3.841
  108   2H6     A  10          2H6         A  10   2.016   3.639  -3.416
  109    H2     A  10           H2         A  10   0.227   2.941  -8.329
  110   1H5*    A  11          1H5*        A  11   4.653   5.962 -14.251
  111   2H5*    A  11          2H5*        A  11   4.292   7.590 -13.644
  112    H4*    A  11           H4*        A  11   2.421   6.163 -14.863
  113    H3*    A  11           H3*        A  11   2.164   7.923 -12.400
  114    H2*    A  11           H2*        A  11  -0.144   7.359 -12.254
  115   2HO*    A  11          2HO*        A  11  -0.221   5.748 -14.526
  116    H1*    A  11           H1*        A  11   0.114   4.691 -12.707
  117    H8     A  11           H8         A  11   3.101   5.467 -10.653
  118   1H6     A  11          1H6         A  11  -0.567   6.012  -5.723
  119   2H6     A  11          2H6         A  11   1.089   5.924  -6.256
  120    H2     A  11           H2         A  11  -3.160   5.784  -9.376
  121   1H5*    A  12          1H5*        A  12  -1.630   7.855 -13.953
  122   2H5*    A  12          2H5*        A  12  -1.965   9.519 -14.472
  123    H4*    A  12           H4*        A  12  -3.768   8.794 -13.020
  124    H3*    A  12           H3*        A  12  -1.826  10.837 -11.919
  125    H2*    A  12           H2*        A  12  -2.781  10.749  -9.826
  126   2HO*    A  12          2HO*        A  12  -5.088  10.424 -11.325
  127    H1*    A  12           H1*        A  12  -3.914   8.161  -9.903
  128    H8     A  12           H8         A  12  -0.183   8.455 -10.359
  129   1H6     A  12          1H6         A  12   0.319   8.386  -4.224
  130   2H6     A  12          2H6         A  12   1.200   8.329  -5.734
  131    H2     A  12           H2         A  12  -4.038   8.717  -5.269
  132   1H5*    C  13          1H5*        C  13  -6.413  12.684 -12.517
  133   2H5*    C  13          2H5*        C  13  -6.352  14.317 -11.822
  134    H4*    C  13           H4*        C  13  -8.032  12.521 -10.858
  135    H3*    C  13           H3*        C  13  -6.325  14.530  -9.361
  136    H2*    C  13           H2*        C  13  -7.130  13.678  -7.284
  137   2HO*    C  13          2HO*        C  13  -9.039  12.739  -7.116
  138    H1*    C  13           H1*        C  13  -6.873  11.056  -7.849
  139   1H4     C  13          1H4         C  13  -1.325  12.981  -5.358
  140   2H4     C  13          2H4         C  13  -0.672  13.056  -6.976
  141    H5     C  13           H5         C  13  -2.009  12.768  -8.950
  142    H6     C  13           H6         C  13  -4.255  12.338  -9.807
  143   1H5*    A  14          1H5*        A  14  -9.442  14.456  -7.141
  144   2H5*    A  14          2H5*        A  14 -10.347  15.982  -7.130
  145    H4*    A  14           H4*        A  14 -10.038  15.488  -4.842
  146    H3*    A  14           H3*        A  14  -7.951  17.442  -5.867
  147    H2*    A  14           H2*        A  14  -6.983  17.511  -3.710
  148   2HO*    A  14          2HO*        A  14  -9.087  16.021  -2.553
  149    H1*    A  14           H1*        A  14  -7.289  14.872  -3.050
  150    H8     A  14           H8         A  14  -6.036  15.377  -6.599
  151   1H6     A  14          1H6         A  14  -0.377  15.845  -4.227
  152   2H6     A  14          2H6         A  14  -1.308  15.731  -5.703
  153    H2     A  14           H2         A  14  -3.314  15.760  -0.825
  154   1H5*    G  15          1H5*        G  15 -10.008  18.455  -1.795
  155   2H5*    G  15          2H5*        G  15 -10.308  20.200  -1.926
  156    H4*    G  15           H4*        G  15  -9.318  19.559   0.268
  157    H3*    G  15           H3*        G  15  -7.872  21.423  -1.638
  158    H2*    G  15           H2*        G  15  -6.049  21.611  -0.111
  159   2HO*    G  15          2HO*        G  15  -6.903  21.794   1.880
  160    H1*    G  15           H1*        G  15  -5.815  18.978   0.493
  161    H8     G  15           H8         G  15  -7.003  19.499  -3.075
  162    H1     G  15           H1         G  15  -0.674  19.740  -2.456
  163   1H2     G  15          1H2         G  15  -0.116  19.766  -0.308
  164   2H2     G  15          2H2         G  15  -1.309  19.727   0.970
  165   1H5*    U  16          1H5*        U  16  -6.917  25.802  -0.456
  166   2H5*    U  16          2H5*        U  16  -6.711  24.315  -1.398
  167    H4*    U  16           H4*        U  16  -5.294  24.842   1.240
  168    H3*    U  16           H3*        U  16  -4.527  25.524  -1.619
  169    H2*    U  16           H2*        U  16  -2.274  24.912  -1.141
  170   2HO*    U  16          2HO*        U  16  -1.771  24.270   1.126
  171    H1*    U  16           H1*        U  16  -2.823  22.594   0.149
  172    H3     U  16           H3         U  16  -1.329  22.234  -4.273
  173    H5     U  16           H5         U  16  -5.523  21.897  -4.290
  174    H6     U  16           H6         U  16  -5.532  22.595  -1.989
  175   1H5*    U  17          1H5*        U  17  -2.147  29.098  -2.474
  176   2H5*    U  17          2H5*        U  17  -1.373  27.567  -2.021
  177    H4*    U  17           H4*        U  17  -0.307  30.254  -1.878
  178    H3*    U  17           H3*        U  17   0.751  27.832  -2.456
  179    H2*    U  17           H2*        U  17   0.474  26.804  -0.322
  180   2HO*    U  17          2HO*        U  17   2.980  28.047  -0.577
  181    H1*    U  17           H1*        U  17   1.384  29.208   1.212
  182    H3     U  17           H3         U  17   0.171  26.873   4.847
  183    H5     U  17           H5         U  17  -3.176  26.501   2.310
  184    H6     U  17           H6         U  17  -1.939  27.700   0.612
  185   1H5*    C  18          1H5*        C  18   3.953  26.017  -1.940
  186   2H5*    C  18          2H5*        C  18   5.018  27.305  -2.539
  187    H4*    C  18           H4*        C  18   5.433  25.230  -3.776
  188    H3*    C  18           H3*        C  18   5.104  27.670  -4.969
  189    H2*    C  18           H2*        C  18   2.770  27.466  -5.444
  190   2HO*    C  18          2HO*        C  18   4.425  26.740  -7.547
  191    H1*    C  18           H1*        C  18   3.111  24.611  -6.348
  192   1H4     C  18          1H4         C  18  -3.213  25.320  -6.001
  193   2H4     C  18          2H4         C  18  -3.103  25.503  -4.265
  194    H5     C  18           H5         C  18  -1.013  25.616  -3.078
  195    H6     C  18           H6         C  18   1.427  25.575  -3.297
  196   1H5*    G  19          1H5*        G  19   6.921  22.425  -5.867
  197   2H5*    G  19          2H5*        G  19   5.814  23.648  -5.218
  198    H4*    G  19           H4*        G  19   8.503  23.051  -3.938
  199    H3*    G  19           H3*        G  19   5.804  21.696  -3.526
  200    H2*    G  19           H2*        G  19   6.367  21.502  -1.220
  201   2HO*    G  19          2HO*        G  19   8.574  22.030  -0.539
  202    H1*    G  19           H1*        G  19   7.588  23.985  -0.982
  203    H8     G  19           H8         G  19   5.860  24.733   0.741
  204    H1     G  19           H1         G  19   0.889  22.863  -2.782
  205   1H2     G  19          1H2         G  19   1.603  21.964  -4.682
  206   2H2     G  19          2H2         G  19   3.299  21.825  -5.077
  207   1H5*    C  20          1H5*        C  20   8.011  19.817  -1.289
  208   2H5*    C  20          2H5*        C  20   7.687  18.087  -1.060
  209    H4*    C  20           H4*        C  20   7.127  19.554   0.929
  210    H3*    C  20           H3*        C  20   5.177  17.682  -0.421
  211    H2*    C  20           H2*        C  20   3.404  18.389   0.994
  212   2HO*    C  20          2HO*        C  20   3.759  19.150   2.964
  213    H1*    C  20           H1*        C  20   3.827  21.045   0.866
  214   1H4     C  20          1H4         C  20   0.104  19.387  -4.077
  215   2H4     C  20          2H4         C  20   1.532  19.429  -5.092
  216    H5     C  20           H5         C  20   3.743  19.715  -4.251
  217    H6     C  20           H6         C  20   5.104  20.069  -2.255
  218   1H5*    U  21          1H5*        U  21   4.398  17.343   3.021
  219   2H5*    U  21          2H5*        U  21   5.009  16.083   4.113
  220    H4*    U  21           H4*        U  21   2.838  16.086   4.835
  221    H3*    U  21           H3*        U  21   2.909  14.290   2.399
  222    H2*    U  21           H2*        U  21   0.537  14.033   2.523
  223   2HO*    U  21          2HO*        U  21  -0.433  15.326   4.464
  224    H1*    U  21           H1*        U  21  -0.084  16.626   2.910
  225    H3     U  21           H3         U  21  -1.017  15.979  -1.461
  226    H5     U  21           H5         U  21   3.187  16.243  -1.355
  227    H6     U  21           H6         U  21   3.055  16.247   1.073
  228   1H5*    G  22          1H5*        G  22   0.456  13.110   4.990
  229   2H5*    G  22          2H5*        G  22   0.186  11.415   5.441
  230    H4*    G  22           H4*        G  22  -1.874  12.395   4.536
  231    H3*    G  22           H3*        G  22  -0.456  10.267   2.902
  232    H2*    G  22           H2*        G  22  -2.073  10.454   1.231
  233   2HO*    G  22          2HO*        G  22  -4.122  10.555   1.752
  234    H1*    G  22           H1*        G  22  -2.794  13.144   1.641
  235    H8     G  22           H8         G  22   0.857  12.613   0.963
  236    H1     G  22           H1         G  22  -2.665  12.432  -4.344
  237   1H2     G  22          1H2         G  22  -4.817  12.369  -3.825
  238   2H2     G  22          2H2         G  22  -5.384  12.373  -2.170
  239   1H5*    U  23          1H5*        U  23  -4.258  10.039   3.469
  240   2H5*    U  23          2H5*        U  23  -5.105   8.784   4.398
  241    H4*    U  23           H4*        U  23  -6.628   9.161   2.685
  242    H3*    U  23           H3*        U  23  -4.706   6.979   1.790
  243    H2*    U  23           H2*        U  23  -5.976   6.812  -0.241
  244   2HO*    U  23          2HO*        U  23  -7.782   8.749   0.830
  245    H1*    U  23           H1*        U  23  -6.038   9.477  -0.741
  246    H3     U  23           H3         U  23  -2.721   7.991  -3.493
  247    H5     U  23           H5         U  23  -0.945   8.110   0.328
  248    H6     U  23           H6         U  23  -3.116   8.609   1.266
  249   1H5*    G  24          1H5*        G  24  -8.549   4.859   1.647
  250   2H5*    G  24          2H5*        G  24  -8.182   3.168   1.251
  251    H4*    G  24           H4*        G  24  -8.963   4.855  -0.632
  252    H3*    G  24           H3*        G  24  -6.687   2.834  -0.859
  253    H2*    G  24           H2*        G  24  -6.513   3.480  -3.137
  254   2HO*    G  24          2HO*        G  24  -8.267   4.954  -3.967
  255    H1*    G  24           H1*        G  24  -7.082   6.185  -2.722
  256    H8     G  24           H8         G  24  -4.447   5.295  -0.266
  257    H1     G  24           H1         G  24  -2.163   5.552  -6.196
  258   1H2     G  24          1H2         G  24  -3.820   5.617  -7.659
  259   2H2     G  24          2H2         G  24  -5.499   5.596  -7.168
  260   1H5*    C  25          1H5*        C  25  -8.797   2.022  -4.405
  261   2H5*    C  25          2H5*        C  25  -8.470   0.319  -4.774
  262    H4*    C  25           H4*        C  25  -7.412   2.228  -6.254
  263    H3*    C  25           H3*        C  25  -6.481  -0.467  -5.500
  264    H2*    C  25           H2*        C  25  -4.302   0.164  -5.033
  265   2HO*    C  25          2HO*        C  25  -4.648   0.434  -7.749
  266    H1*    C  25           H1*        C  25  -4.581   2.871  -6.298
  267   1H4     C  25          1H4         C  25   0.385   3.475  -2.369
  268   2H4     C  25          2H4         C  25  -0.660   3.239  -0.984
  269    H5     C  25           H5         C  25  -2.998   2.680  -1.181
  270    H6     C  25           H6         C  25  -4.829   2.221  -2.749
  271   1H5*    C  26          1H5*        C  26  -5.990  -0.811 -10.265
  272   2H5*    C  26          2H5*        C  26  -6.300  -2.548 -10.446
  273    H4*    C  26           H4*        C  26  -3.923  -1.879 -10.926
  274    H3*    C  26           H3*        C  26  -4.736  -3.918  -8.878
  275    H2*    C  26           H2*        C  26  -2.755  -3.723  -7.709
  276   2HO*    C  26          2HO*        C  26  -0.796  -4.042  -8.849
  277    H1*    C  26           H1*        C  26  -1.621  -1.654  -9.540
  278   1H4     C  26          1H4         C  26   0.939   0.033  -3.984
  279   2H4     C  26          2H4         C  26  -0.584  -0.188  -3.152
  280    H5     C  26           H5         C  26  -2.586  -0.961  -4.247
  281    H6     C  26           H6         C  26  -3.557  -1.690  -6.377
  282   1H5*    G  27          1H5*        G  27  -3.085  -5.803  -8.738
  283   2H5*    G  27          2H5*        G  27  -3.358  -7.468  -9.288
  284    H4*    G  27           H4*        G  27  -3.633  -7.836  -7.047
  285    H3*    G  27           H3*        G  27  -6.310  -6.773  -8.013
  286    H2*    G  27           H2*        G  27  -7.104  -6.809  -5.797
  287   2HO*    G  27          2HO*        G  27  -4.939  -8.188  -4.696
  288    H1*    G  27           H1*        G  27  -4.688  -6.178  -4.517
  289    H8     G  27           H8         G  27  -4.802  -3.408  -6.752
  290    H1     G  27           H1         G  27  -9.895  -3.138  -2.924
  291   1H2     G  27          1H2         G  27 -10.205  -5.097  -1.931
  292   2H2     G  27          2H2         G  27  -9.157  -6.469  -2.212
  293   1H5*    A  28          1H5*        A  28  -5.056 -11.205  -7.737
  294   2H5*    A  28          2H5*        A  28  -5.444 -12.569  -6.668
  295    H4*    A  28           H4*        A  28  -3.051 -11.442  -6.583
  296    H3*    A  28           H3*        A  28  -4.788 -12.381  -4.275
  297    H2*    A  28           H2*        A  28  -3.141 -11.650  -2.742
  298   2HO*    A  28          2HO*        A  28  -1.481 -12.435  -4.610
  299    H1*    A  28           H1*        A  28  -2.400  -9.332  -4.044
  300    H8     A  28           H8         A  28  -6.143 -10.196  -3.803
  301   1H6     A  28          1H6         A  28  -6.138  -6.912   1.410
  302   2H6     A  28          2H6         A  28  -7.135  -7.781   0.266
  303    H2     A  28           H2         A  28  -1.901  -7.208  -0.065
  304   1H5*    A  29          1H5*        A  29  -0.472 -14.056  -5.842
  305   2H5*    A  29          2H5*        A  29   0.397 -15.077  -4.678
  306    H4*    A  29           H4*        A  29   1.620 -13.039  -5.826
  307    H3*    A  29           H3*        A  29   1.767 -14.042  -2.986
  308    H2*    A  29           H2*        A  29   3.069 -12.188  -2.290
  309   2HO*    A  29          2HO*        A  29   4.339 -12.321  -4.368
  310    H1*    A  29           H1*        A  29   1.724 -10.222  -3.555
  311    H8     A  29           H8         A  29  -1.011 -12.546  -2.657
  312   1H6     A  29          1H6         A  29  -0.622 -10.601   3.171
  313   2H6     A  29          2H6         A  29  -1.577 -11.511   2.023
  314    H2     A  29           H2         A  29   2.982  -9.086   0.956
  315   1H5*    A  30          1H5*        A  30   6.095 -13.911  -3.224
  316   2H5*    A  30          2H5*        A  30   6.519 -15.497  -2.550
  317    H4*    A  30           H4*        A  30   7.250 -13.501  -1.158
  318    H3*    A  30           H3*        A  30   5.436 -15.680  -0.056
  319    H2*    A  30           H2*        A  30   5.403 -14.587   2.007
  320   2HO*    A  30          2HO*        A  30   7.371 -14.151   2.677
  321    H1*    A  30           H1*        A  30   5.728 -11.946   1.048
  322    H8     A  30           H8         A  30   2.729 -13.427  -0.531
  323   1H6     A  30          1H6         A  30  -0.311 -12.668   4.774
  324   2H6     A  30          2H6         A  30  -0.468 -13.055   3.077
  325    H2     A  30           H2         A  30   4.060 -11.940   5.546
  326   1H5*    G  31          1H5*        G  31   9.191 -14.805   2.134
  327   2H5*    G  31          2H5*        G  31  10.144 -16.299   2.239
  328    H4*    G  31           H4*        G  31  10.538 -15.209   4.300
  329    H3*    G  31           H3*        G  31   8.495 -17.425   4.447
  330    H2*    G  31           H2*        G  31   7.962 -16.930   6.700
  331   2HO*    G  31          2HO*        G  31   9.698 -14.888   7.213
  332    H1*    G  31           H1*        G  31   7.851 -14.237   6.533
  333    H8     G  31           H8         G  31   6.665 -15.748   3.274
  334    H1     G  31           H1         G  31   2.202 -15.776   7.831
  335   1H2     G  31          1H2         G  31   3.102 -15.192   9.771
  336   2H2     G  31          2H2         G  31   4.798 -14.799   9.940
  337   1H5*    G  32          1H5*        G  32  11.322 -18.026   8.006
  338   2H5*    G  32          2H5*        G  32  11.041 -19.691   8.552
  339    H4*    G  32           H4*        G  32  10.327 -17.652  10.073
  340    H3*    G  32           H3*        G  32   8.801 -20.220   9.522
  341    H2*    G  32           H2*        G  32   7.056 -19.455  10.964
  342   2HO*    G  32          2HO*        G  32   8.850 -18.414  12.382
  343    H1*    G  32           H1*        G  32   6.897 -16.940   9.990
  344    H8     G  32           H8         G  32   7.767 -19.089   7.054
  345    H1     G  32           H1         G  32   1.665 -19.768   8.765
  346   1H2     G  32          1H2         G  32   1.309 -18.797  10.723
  347   2H2     G  32          2H2         G  32   2.577 -17.981  11.612
  348   1H5*    U  33          1H5*        U  33   8.222 -20.198  13.320
  349   2H5*    U  33          2H5*        U  33   8.634 -21.729  14.118
  350    H4*    U  33           H4*        U  33   6.253 -21.310  14.388
  351    H3*    U  33           H3*        U  33   7.006 -23.531  12.446
  352    H2*    U  33           H2*        U  33   4.711 -23.977  12.148
  353   2HO*    U  33          2HO*        U  33   3.200 -22.734  13.658
  354    H1*    U  33           H1*        U  33   3.809 -21.363  12.238
  355    H3     U  33           H3         U  33   2.883 -23.134   8.133
  356    H5     U  33           H5         U  33   6.906 -21.894   7.928
  357    H6     U  33           H6         U  33   6.835 -21.491  10.318
  358   1H5*    C  34          1H5*        C  34   3.930 -24.890  14.248
  359   2H5*    C  34          2H5*        C  34   4.306 -26.216  15.366
  360    H4*    C  34           H4*        C  34   2.566 -27.226  14.266
  361    H3*    C  34           H3*        C  34   4.973 -27.613  12.463
  362    H2*    C  34           H2*        C  34   3.627 -28.683  10.893
  363   2HO*    C  34          2HO*        C  34   2.342 -30.150  11.703
  364    H1*    C  34           H1*        C  34   1.275 -27.207  11.406
  365   1H4     C  34          1H4         C  34   3.302 -25.157   5.754
  366   2H4     C  34          2H4         C  34   4.782 -24.538   6.452
  367    H5     C  34           H5         C  34   5.350 -24.793   8.781
  368    H6     C  34           H6         C  34   4.626 -25.696  10.936
  369    H3T    C  34           H3T        C  34   4.685 -28.711  14.562
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  -4.297 -25.042   0.913
    2   2H5*    G   1          2H5*        G   1  -5.336 -23.634   0.613
    3    H4*    G   1           H4*        G   1  -5.985 -24.347   2.763
    4    H3*    G   1           H3*        G   1  -4.002 -22.065   2.825
    5    H2*    G   1           H2*        G   1  -3.855 -22.154   5.173
    6   2HO*    G   1          2HO*        G   1  -5.989 -24.008   5.369
    7    H1*    G   1           H1*        G   1  -3.918 -24.858   5.527
    8    H8     G   1           H8         G   1  -1.708 -24.295   2.590
    9    H1     G   1           H1         G   1   1.138 -22.685   8.067
   10   1H2     G   1          1H2         G   1  -0.353 -22.633   9.705
   11   2H2     G   1          2H2         G   1  -2.046 -22.989   9.448
   12    H5T    G   1           H5T        G   1  -2.997 -23.441   0.158
   13   1H5*    G   2          1H5*        G   2  -6.333 -21.951   6.066
   14   2H5*    G   2          2H5*        G   2  -7.602 -20.732   5.848
   15    H4*    G   2           H4*        G   2  -7.123 -20.422   8.092
   16    H3*    G   2           H3*        G   2  -5.281 -18.642   6.468
   17    H2*    G   2           H2*        G   2  -4.188 -17.949   8.430
   18   2HO*    G   2          2HO*        G   2  -5.539 -18.957  10.461
   19    H1*    G   2           H1*        G   2  -4.321 -20.336   9.847
   20    H8     G   2           H8         G   2  -3.169 -20.399   6.189
   21    H1     G   2           H1         G   2   1.519 -19.280  10.357
   22   1H2     G   2          1H2         G   2   0.684 -19.052  12.398
   23   2H2     G   2          2H2         G   2  -1.029 -19.179  12.731
   24   1H5*    C   3          1H5*        C   3  -7.297 -16.929  10.507
   25   2H5*    C   3          2H5*        C   3  -7.593 -15.247  10.024
   26    H4*    C   3           H4*        C   3  -6.470 -15.538  12.282
   27    H3*    C   3           H3*        C   3  -5.312 -13.891  10.018
   28    H2*    C   3           H2*        C   3  -3.408 -13.368  11.319
   29   2HO*    C   3          2HO*        C   3  -3.399 -13.434  13.514
   30    H1*    C   3           H1*        C   3  -3.035 -15.809  12.508
   31   1H4     C   3          1H4         C   3   0.837 -15.690   7.459
   32   2H4     C   3          2H4         C   3  -0.516 -15.928   6.375
   33    H5     C   3           H5         C   3  -2.805 -16.010   7.120
   34    H6     C   3           H6         C   3  -4.294 -15.879   9.065
   35   1H5*    C   4          1H5*        C   4  -4.299 -11.858  13.251
   36   2H5*    C   4          2H5*        C   4  -5.481 -10.556  13.499
   37    H4*    C   4           H4*        C   4  -3.570  -9.392  14.022
   38    H3*    C   4           H3*        C   4  -4.051  -9.172  11.055
   39    H2*    C   4           H2*        C   4  -1.937  -8.266  10.639
   40   2HO*    C   4          2HO*        C   4  -0.603  -7.558  12.493
   41    H1*    C   4           H1*        C   4  -0.417  -9.715  12.312
   42   1H4     C   4          1H4         C   4  -0.113 -12.999   6.895
   43   2H4     C   4          2H4         C   4  -1.807 -13.423   6.998
   44    H5     C   4           H5         C   4  -3.264 -12.621   8.740
   45    H6     C   4           H6         C   4  -3.411 -11.246  10.762
   46   1H5*    U   5          1H5*        U   5  -1.835  -5.789  12.731
   47   2H5*    U   5          2H5*        U   5  -2.532  -4.289  12.088
   48    H4*    U   5           H4*        U   5  -0.077  -4.369  11.766
   49    H3*    U   5           H3*        U   5  -1.916  -4.396   9.351
   50    H2*    U   5           H2*        U   5  -0.025  -4.416   7.923
   51   2HO*    U   5          2HO*        U   5   1.969  -4.234   9.808
   52    H1*    U   5           H1*        U   5   1.525  -6.160   9.368
   53    H3     U   5           H3         U   5   0.509  -8.705   5.816
   54    H5     U   5           H5         U   5  -3.203  -8.214   7.750
   55    H6     U   5           H6         U   5  -2.126  -6.688   9.293
   56   1H5*    U   6          1H5*        U   6   1.392  -2.177   8.635
   57   2H5*    U   6          2H5*        U   6   1.130  -0.818   7.522
   58    H4*    U   6           H4*        U   6   2.658  -2.747   6.720
   59    H3*    U   6           H3*        U   6   0.338  -1.545   5.186
   60    H2*    U   6           H2*        U   6   0.506  -3.176   3.545
   61   2HO*    U   6          2HO*        U   6   2.979  -2.372   3.582
   62    H1*    U   6           H1*        U   6   2.140  -5.048   5.079
   63    H3     U   6           H3         U   6  -0.638  -7.579   2.497
   64    H5     U   6           H5         U   6  -3.137  -5.882   5.437
   65    H6     U   6           H6         U   6  -1.260  -4.518   6.149
   66   1H5*    A   7          1H5*        A   7   4.503  -1.293   3.792
   67   2H5*    A   7          2H5*        A   7   5.092   0.282   3.224
   68    H4*    A   7           H4*        A   7   6.188  -1.159   1.766
   69    H3*    A   7           H3*        A   7   3.554  -0.255   0.587
   70    H2*    A   7           H2*        A   7   3.777  -1.692  -1.262
   71   2HO*    A   7          2HO*        A   7   6.329  -2.636  -0.712
   72    H1*    A   7           H1*        A   7   4.809  -3.875   0.008
   73    H8     A   7           H8         A   7   2.106  -2.057   1.993
   74   1H6     A   7          1H6         A   7  -1.994  -5.457  -1.099
   75   2H6     A   7          2H6         A   7  -1.773  -4.312   0.205
   76    H2     A   7           H2         A   7   2.060  -6.194  -2.888
   77   1H5*    G   8          1H5*        G   8   7.190  -1.958  -2.110
   78   2H5*    G   8          2H5*        G   8   8.780  -1.188  -2.283
   79    H4*    G   8           H4*        G   8   7.907  -1.877  -4.472
   80    H3*    G   8           H3*        G   8   8.911   0.672  -3.869
   81    H2*    G   8           H2*        G   8   6.925   1.904  -4.019
   82   2HO*    G   8          2HO*        G   8   7.614   2.844  -5.803
   83    H1*    G   8           H1*        G   8   5.683   0.106  -6.072
   84    H8     G   8           H8         G   8   4.064  -0.266  -2.860
   85    H1     G   8           H1         G   8   2.114   5.138  -5.622
   86   1H2     G   8          1H2         G   8   3.451   5.650  -7.313
   87   2H2     G   8          2H2         G   8   4.822   4.660  -7.761
   88   1H5*    G   9          1H5*        G   9  10.619  -0.111  -8.887
   89   2H5*    G   9          2H5*        G   9  11.040   1.592  -9.150
   90    H4*    G   9           H4*        G   9   9.890   0.702 -11.116
   91    H3*    G   9           H3*        G   9   8.445   2.768  -9.427
   92    H2*    G   9           H2*        G   9   6.578   2.670 -10.865
   93   2HO*    G   9          2HO*        G   9   8.444   1.563 -12.702
   94    H1*    G   9           H1*        G   9   6.612  -0.042 -11.397
   95    H8     G   9           H8         G   9   7.097   1.586  -7.912
   96    H1     G   9           H1         G   9   1.243  -0.679  -9.028
   97   1H2     G   9          1H2         G   9   1.114  -1.468 -11.095
   98   2H2     G   9          2H2         G   9   2.470  -1.437 -12.200
   99   1H5*    A  10          1H5*        A  10   7.457   3.376 -13.168
  100   2H5*    A  10          2H5*        A  10   7.822   5.007 -13.768
  101    H4*    A  10           H4*        A  10   5.515   4.626 -14.261
  102    H3*    A  10           H3*        A  10   6.207   6.532 -12.099
  103    H2*    A  10           H2*        A  10   4.346   6.101 -10.806
  104   2HO*    A  10          2HO*        A  10   2.706   7.184 -11.567
  105    H1*    A  10           H1*        A  10   3.034   4.306 -12.808
  106    H8     A  10           H8         A  10   5.050   3.751  -9.549
  107   1H6     A  10          1H6         A  10  -0.248   1.763  -7.117
  108   2H6     A  10          2H6         A  10   1.458   2.014  -6.825
  109    H2     A  10           H2         A  10  -1.067   3.113 -11.321
  110   1H5*    A  11          1H5*        A  11   2.588   8.210 -16.330
  111   2H5*    A  11          2H5*        A  11   2.464   9.482 -15.097
  112    H4*    A  11           H4*        A  11   0.309   8.671 -16.411
  113    H3*    A  11           H3*        A  11   0.595   9.334 -13.460
  114    H2*    A  11           H2*        A  11  -1.702   8.803 -13.136
  115   2HO*    A  11          2HO*        A  11  -1.899   9.603 -15.682
  116    H1*    A  11           H1*        A  11  -1.749   6.523 -14.619
  117    H8     A  11           H8         A  11   1.573   6.418 -12.946
  118   1H6     A  11          1H6         A  11  -1.287   4.919  -7.687
  119   2H6     A  11          2H6         A  11   0.264   5.054  -8.471
  120    H2     A  11           H2         A  11  -4.398   6.181 -10.660
  121   1H5*    A  12          1H5*        A  12  -3.397  10.119 -14.307
  122   2H5*    A  12          2H5*        A  12  -3.600  11.856 -14.005
  123    H4*    A  12           H4*        A  12  -5.280  10.612 -12.745
  124    H3*    A  12           H3*        A  12  -3.055  11.975 -11.208
  125    H2*    A  12           H2*        A  12  -3.770  11.062  -9.212
  126   2HO*    A  12          2HO*        A  12  -6.118  11.789 -10.132
  127    H1*    A  12           H1*        A  12  -5.094   8.759 -10.181
  128    H8     A  12           H8         A  12  -1.423   9.105 -10.993
  129   1H6     A  12          1H6         A  12  -0.251   6.419  -5.581
  130   2H6     A  12          2H6         A  12   0.444   6.964  -7.091
  131    H2     A  12           H2         A  12  -4.639   7.365  -5.753
  132   1H5*    C  13          1H5*        C  13  -7.389  14.066 -10.054
  133   2H5*    C  13          2H5*        C  13  -6.895  15.413  -9.007
  134    H4*    C  13           H4*        C  13  -8.517  13.590  -8.056
  135    H3*    C  13           H3*        C  13  -6.080  14.797  -6.718
  136    H2*    C  13           H2*        C  13  -6.355  13.382  -4.861
  137   2HO*    C  13          2HO*        C  13  -8.719  13.828  -4.828
  138    H1*    C  13           H1*        C  13  -7.131  11.111  -6.141
  139   1H4     C  13          1H4         C  13  -0.933  10.679  -4.801
  140   2H4     C  13          2H4         C  13  -0.548  11.458  -6.318
  141    H5     C  13           H5         C  13  -2.225  12.373  -7.788
  142    H6     C  13           H6         C  13  -4.618  12.732  -8.120
  143   1H5*    A  14          1H5*        A  14 -10.013  15.301  -3.871
  144   2H5*    A  14          2H5*        A  14  -9.432  16.478  -2.677
  145    H4*    A  14           H4*        A  14 -10.278  14.116  -1.882
  146    H3*    A  14           H3*        A  14  -7.824  15.637  -0.941
  147    H2*    A  14           H2*        A  14  -7.316  13.838   0.555
  148   2HO*    A  14          2HO*        A  14  -9.807  13.565   0.849
  149    H1*    A  14           H1*        A  14  -7.685  11.828  -1.193
  150    H8     A  14           H8         A  14  -6.363  14.642  -3.258
  151   1H6     A  14          1H6         A  14  -0.717  13.226  -1.270
  152   2H6     A  14          2H6         A  14  -1.640  14.158  -2.426
  153    H2     A  14           H2         A  14  -3.684  10.964   1.239
  154   1H5*    G  15          1H5*        G  15  -8.644  14.438   2.186
  155   2H5*    G  15          2H5*        G  15  -9.442  15.483   3.374
  156    H4*    G  15           H4*        G  15  -7.734  14.727   4.701
  157    H3*    G  15           H3*        G  15  -6.632  17.101   3.154
  158    H2*    G  15           H2*        G  15  -4.492  16.736   4.141
  159   2HO*    G  15          2HO*        G  15  -5.355  14.613   5.769
  160    H1*    G  15           H1*        G  15  -4.428  14.022   3.879
  161    H8     G  15           H8         G  15  -6.173  15.584   0.898
  162    H1     G  15           H1         G  15   0.168  15.779   0.440
  163   1H2     G  15          1H2         G  15   1.092  15.173   2.362
  164   2H2     G  15          2H2         G  15   0.144  14.723   3.760
  165   1H5*    U  16          1H5*        U  16  -4.944  20.779   5.299
  166   2H5*    U  16          2H5*        U  16  -5.101  19.652   3.941
  167    H4*    U  16           H4*        U  16  -3.049  19.319   6.158
  168    H3*    U  16           H3*        U  16  -2.940  20.882   3.558
  169    H2*    U  16           H2*        U  16  -0.697  20.147   3.227
  170   2HO*    U  16          2HO*        U  16  -0.566  18.693   5.623
  171    H1*    U  16           H1*        U  16  -1.108  17.538   3.829
  172    H3     U  16           H3         U  16  -0.776  18.620  -0.718
  173    H5     U  16           H5         U  16  -4.859  18.293   0.255
  174    H6     U  16           H6         U  16  -4.243  18.221   2.573
  175   1H5*    U  17          1H5*        U  17  -0.334  24.526   3.396
  176   2H5*    U  17          2H5*        U  17   0.344  22.901   3.174
  177    H4*    U  17           H4*        U  17   1.685  25.343   3.982
  178    H3*    U  17           H3*        U  17   2.370  23.239   2.426
  179    H2*    U  17           H2*        U  17   2.363  21.540   4.101
  180   2HO*    U  17          2HO*        U  17   4.954  22.735   4.087
  181    H1*    U  17           H1*        U  17   3.776  23.221   6.137
  182    H3     U  17           H3         U  17   2.984  19.800   8.935
  183    H5     U  17           H5         U  17  -0.781  20.484   7.163
  184    H6     U  17           H6         U  17   0.258  22.152   5.755
  185   1H5*    C  18          1H5*        C  18   4.521  22.276   1.869
  186   2H5*    C  18          2H5*        C  18   6.276  22.045   1.998
  187    H4*    C  18           H4*        C  18   6.413  21.526  -0.185
  188    H3*    C  18           H3*        C  18   6.065  24.241  -0.404
  189    H2*    C  18           H2*        C  18   3.676  24.231  -0.490
  190   2HO*    C  18          2HO*        C  18   3.858  23.623  -3.199
  191    H1*    C  18           H1*        C  18   3.685  21.833  -2.323
  192   1H4     C  18          1H4         C  18  -2.437  22.722  -0.662
  193   2H4     C  18          2H4         C  18  -2.094  21.936   0.864
  194    H5     C  18           H5         C  18   0.121  21.309   1.557
  195    H6     C  18           H6         C  18   2.492  21.293   0.941
  196   1H5*    G  19          1H5*        G  19   7.273  19.477  -3.253
  197   2H5*    G  19          2H5*        G  19   6.366  20.443  -2.073
  198    H4*    G  19           H4*        G  19   9.202  19.491  -1.553
  199    H3*    G  19           H3*        G  19   6.548  18.079  -1.050
  200    H2*    G  19           H2*        G  19   7.519  17.190   0.929
  201   2HO*    G  19          2HO*        G  19   9.698  17.109  -0.505
  202    H1*    G  19           H1*        G  19   8.934  19.483   1.633
  203    H8     G  19           H8         G  19   7.657  19.607   3.840
  204    H1     G  19           H1         G  19   1.946  18.974   1.080
  205   1H2     G  19          1H2         G  19   2.183  18.765  -1.114
  206   2H2     G  19          2H2         G  19   3.746  18.778  -1.897
  207   1H5*    C  20          1H5*        C  20   8.917  15.552   0.152
  208   2H5*    C  20          2H5*        C  20   8.543  13.866  -0.255
  209    H4*    C  20           H4*        C  20   8.364  14.447   2.209
  210    H3*    C  20           H3*        C  20   6.154  13.203   0.568
  211    H2*    C  20           H2*        C  20   4.644  13.278   2.398
  212   2HO*    C  20          2HO*        C  20   5.467  13.951   4.522
  213    H1*    C  20           H1*        C  20   5.166  15.784   3.245
  214   1H4     C  20          1H4         C  20   0.659  16.057  -1.311
  215   2H4     C  20          2H4         C  20   1.904  16.584  -2.423
  216    H5     C  20           H5         C  20   4.231  16.628  -1.879
  217    H6     C  20           H6         C  20   5.895  16.209  -0.139
  218   1H5*    U  21          1H5*        U  21   5.788  11.558   3.674
  219   2H5*    U  21          2H5*        U  21   6.540   9.997   4.061
  220    H4*    U  21           H4*        U  21   4.510   9.609   5.040
  221    H3*    U  21           H3*        U  21   4.159   8.958   2.100
  222    H2*    U  21           H2*        U  21   1.843   8.532   2.490
  223   2HO*    U  21          2HO*        U  21   2.037   8.977   5.259
  224    H1*    U  21           H1*        U  21   1.337  10.683   4.036
  225    H3     U  21           H3         U  21  -0.499  11.844   0.077
  226    H5     U  21           H5         U  21   3.642  12.369  -0.518
  227    H6     U  21           H6         U  21   4.019  11.330   1.641
  228   1H5*    G  22          1H5*        G  22   2.131   6.456   4.469
  229   2H5*    G  22          2H5*        G  22   1.798   4.811   3.893
  230    H4*    G  22           H4*        G  22  -0.260   6.226   4.143
  231    H3*    G  22           H3*        G  22   0.556   5.087   1.447
  232    H2*    G  22           H2*        G  22  -1.327   6.072   0.465
  233   2HO*    G  22          2HO*        G  22  -3.203   6.301   1.504
  234    H1*    G  22           H1*        G  22  -1.496   8.344   2.068
  235    H8     G  22           H8         G  22   1.910   7.714   0.556
  236    H1     G  22           H1         G  22  -2.127  10.504  -3.500
  237   1H2     G  22          1H2         G  22  -4.175  10.501  -2.659
  238   2H2     G  22          2H2         G  22  -4.547   9.817  -1.093
  239   1H5*    U  23          1H5*        U  23  -3.073   4.817   2.623
  240   2H5*    U  23          2H5*        U  23  -3.895   3.310   3.076
  241    H4*    U  23           H4*        U  23  -5.647   4.501   2.120
  242    H3*    U  23           H3*        U  23  -4.277   2.862  -0.041
  243    H2*    U  23           H2*        U  23  -5.896   3.694  -1.607
  244   2HO*    U  23          2HO*        U  23  -7.632   3.640   0.074
  245    H1*    U  23           H1*        U  23  -5.632   6.297  -0.915
  246    H3     U  23           H3         U  23  -3.027   5.985  -4.645
  247    H5     U  23           H5         U  23  -0.670   4.315  -1.573
  248    H6     U  23           H6         U  23  -2.585   4.459  -0.098
  249   1H5*    G  24          1H5*        G  24  -8.265   1.225  -0.180
  250   2H5*    G  24          2H5*        G  24  -8.232  -0.212  -1.218
  251    H4*    G  24           H4*        G  24  -9.058   2.048  -2.221
  252    H3*    G  24           H3*        G  24  -6.977   0.242  -3.528
  253    H2*    G  24           H2*        G  24  -7.087   1.690  -5.408
  254   2HO*    G  24          2HO*        G  24  -8.810   3.295  -5.518
  255    H1*    G  24           H1*        G  24  -7.390   4.052  -3.930
  256    H8     G  24           H8         G  24  -4.548   2.219  -2.411
  257    H1     G  24           H1         G  24  -2.988   4.750  -8.032
  258   1H2     G  24          1H2         G  24  -4.806   5.410  -9.111
  259   2H2     G  24          2H2         G  24  -6.411   5.223  -8.439
  260   1H5*    C  25          1H5*        C  25  -9.515   0.519  -6.965
  261   2H5*    C  25          2H5*        C  25  -9.096  -0.996  -7.787
  262    H4*    C  25           H4*        C  25  -8.248   1.319  -8.738
  263    H3*    C  25           H3*        C  25  -6.721  -1.298  -8.511
  264    H2*    C  25           H2*        C  25  -4.775  -0.243  -9.228
  265   2HO*    C  25          2HO*        C  25  -6.511   1.541 -10.628
  266    H1*    C  25           H1*        C  25  -5.586   2.468  -8.608
  267   1H4     C  25          1H4         C  25  -0.034   1.369  -5.701
  268   2H4     C  25          2H4         C  25  -0.896   0.663  -4.352
  269    H5     C  25           H5         C  25  -3.276   0.260  -4.377
  270    H6     C  25           H6         C  25  -5.329   0.446  -5.706
  271   1H5*    C  26          1H5*        C  26  -7.041  -2.569 -12.975
  272   2H5*    C  26          2H5*        C  26  -7.144  -4.246 -12.407
  273    H4*    C  26           H4*        C  26  -4.941  -3.368 -13.566
  274    H3*    C  26           H3*        C  26  -5.380  -5.291 -11.332
  275    H2*    C  26           H2*        C  26  -3.438  -4.697 -10.216
  276   2HO*    C  26          2HO*        C  26  -1.466  -5.081 -11.347
  277    H1*    C  26           H1*        C  26  -2.483  -2.922 -12.433
  278   1H4     C  26          1H4         C  26   0.472  -0.341  -7.449
  279   2H4     C  26          2H4         C  26  -0.937  -0.541  -6.433
  280    H5     C  26           H5         C  26  -2.985  -1.555  -7.197
  281    H6     C  26           H6         C  26  -4.117  -2.612  -9.098
  282   1H5*    G  27          1H5*        G  27  -2.782  -6.747 -10.347
  283   2H5*    G  27          2H5*        G  27  -2.680  -8.485 -10.686
  284    H4*    G  27           H4*        G  27  -3.312  -8.495  -8.447
  285    H3*    G  27           H3*        G  27  -5.537  -8.904 -10.323
  286    H2*    G  27           H2*        G  27  -7.108  -7.653  -9.195
  287   2HO*    G  27          2HO*        G  27  -7.637  -9.468  -8.039
  288    H1*    G  27           H1*        G  27  -5.477  -7.181  -6.747
  289    H8     G  27           H8         G  27  -5.366  -4.475  -9.262
  290    H1     G  27           H1         G  27 -10.647  -4.106  -5.700
  291   1H2     G  27          1H2         G  27 -10.901  -5.969  -4.525
  292   2H2     G  27          2H2         G  27  -9.770  -7.301  -4.619
  293   1H5*    A  28          1H5*        A  28  -3.062 -10.609 -10.430
  294   2H5*    A  28          2H5*        A  28  -2.258 -12.179 -10.607
  295    H4*    A  28           H4*        A  28  -0.783 -11.101  -9.173
  296    H3*    A  28           H3*        A  28  -2.860 -12.591  -7.540
  297    H2*    A  28           H2*        A  28  -1.954 -11.737  -5.548
  298   2HO*    A  28          2HO*        A  28   0.342 -10.594  -6.608
  299    H1*    A  28           H1*        A  28  -1.133  -9.238  -6.500
  300    H8     A  28           H8         A  28  -4.653 -10.754  -7.026
  301   1H6     A  28          1H6         A  28  -6.375  -7.296  -2.226
  302   2H6     A  28          2H6         A  28  -6.922  -8.405  -3.464
  303    H2     A  28           H2         A  28  -1.946  -6.787  -2.798
  304   1H5*    A  29          1H5*        A  29   1.628 -12.859  -6.772
  305   2H5*    A  29          2H5*        A  29   2.086 -14.460  -6.154
  306    H4*    A  29           H4*        A  29   3.146 -12.481  -4.950
  307    H3*    A  29           H3*        A  29   1.545 -14.664  -3.605
  308    H2*    A  29           H2*        A  29   1.451 -13.500  -1.611
  309   2HO*    A  29          2HO*        A  29   3.924 -12.210  -2.154
  310    H1*    A  29           H1*        A  29   2.362 -10.920  -2.649
  311    H8     A  29           H8         A  29  -1.122 -12.567  -2.919
  312   1H6     A  29          1H6         A  29  -2.780  -8.852   1.705
  313   2H6     A  29          2H6         A  29  -3.333 -10.055   0.561
  314    H2     A  29           H2         A  29   1.611  -8.254   0.940
  315   1H5*    A  30          1H5*        A  30   6.344 -14.048  -2.135
  316   2H5*    A  30          2H5*        A  30   6.536 -15.262  -0.855
  317    H4*    A  30           H4*        A  30   7.175 -12.793  -0.326
  318    H3*    A  30           H3*        A  30   5.425 -14.586   1.398
  319    H2*    A  30           H2*        A  30   5.143 -12.844   2.917
  320   2HO*    A  30          2HO*        A  30   6.698 -11.302   3.282
  321    H1*    A  30           H1*        A  30   5.497 -10.684   1.093
  322    H8     A  30           H8         A  30   2.622 -12.859   0.138
  323   1H6     A  30          1H6         A  30  -0.747 -10.023   4.447
  324   2H6     A  30          2H6         A  30  -0.791 -11.122   3.087
  325    H2     A  30           H2         A  30   3.542  -8.795   4.991
  326   1H5*    G  31          1H5*        G  31   9.096 -12.873   2.976
  327   2H5*    G  31          2H5*        G  31  10.172 -13.986   3.844
  328    H4*    G  31           H4*        G  31  10.299 -11.958   5.064
  329    H3*    G  31           H3*        G  31   8.456 -14.015   6.298
  330    H2*    G  31           H2*        G  31   7.826 -12.507   8.015
  331   2HO*    G  31          2HO*        G  31   9.513 -10.419   7.285
  332    H1*    G  31           H1*        G  31   7.549 -10.264   6.504
  333    H8     G  31           H8         G  31   6.396 -13.337   4.585
  334    H1     G  31           H1         G  31   2.015 -11.112   8.649
  335   1H2     G  31          1H2         G  31   2.903  -9.567   9.960
  336   2H2     G  31          2H2         G  31   4.579  -9.079   9.835
  337   1H5*    G  32          1H5*        G  32   9.816 -12.689   9.539
  338   2H5*    G  32          2H5*        G  32  11.222 -13.612  10.106
  339    H4*    G  32           H4*        G  32  10.139 -13.426  12.115
  340    H3*    G  32           H3*        G  32   9.022 -15.844  10.701
  341    H2*    G  32           H2*        G  32   7.286 -16.099  12.291
  342   2HO*    G  32          2HO*        G  32   9.113 -14.812  13.905
  343    H1*    G  32           H1*        G  32   6.591 -13.502  12.610
  344    H8     G  32           H8         G  32   7.633 -14.420   9.051
  345    H1     G  32           H1         G  32   1.445 -15.349  10.252
  346   1H2     G  32          1H2         G  32   1.038 -15.049  12.409
  347   2H2     G  32          2H2         G  32   2.292 -14.621  13.552
  348   1H5*    U  33          1H5*        U  33   8.726 -16.943  14.497
  349   2H5*    U  33          2H5*        U  33   8.752 -18.709  14.678
  350    H4*    U  33           H4*        U  33   6.462 -17.445  14.833
  351    H3*    U  33           H3*        U  33   7.117 -20.002  13.364
  352    H2*    U  33           H2*        U  33   5.085 -20.022  12.257
  353   2HO*    U  33          2HO*        U  33   3.235 -19.647  13.303
  354    H1*    U  33           H1*        U  33   4.386 -17.253  12.547
  355    H3     U  33           H3         U  33   3.390 -18.891   8.350
  356    H5     U  33           H5         U  33   7.482 -17.874   8.290
  357    H6     U  33           H6         U  33   7.369 -17.557  10.691
  358   1H5*    C  34          1H5*        C  34   3.921 -20.508  16.526
  359   2H5*    C  34          2H5*        C  34   3.924 -22.087  17.337
  360    H4*    C  34           H4*        C  34   1.693 -21.652  16.461
  361    H3*    C  34           H3*        C  34   3.345 -23.718  14.982
  362    H2*    C  34           H2*        C  34   1.584 -24.116  13.525
  363   2HO*    C  34          2HO*        C  34   0.058 -23.369  15.737
  364    H1*    C  34           H1*        C  34   0.489 -21.506  13.573
  365   1H4     C  34          1H4         C  34   2.985 -22.469   7.795
  366   2H4     C  34          2H4         C  34   4.596 -22.215   8.429
  367    H5     C  34           H5         C  34   5.057 -21.890  10.776
  368    H6     C  34           H6         C  34   4.068 -21.744  13.018
  369    H3T    C  34           H3T        C  34   2.531 -23.945  17.232
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  -6.548 -24.270   1.019
    2   2H5*    G   1          2H5*        G   1  -6.557 -22.599   1.620
    3    H4*    G   1           H4*        G   1  -8.169 -24.066   2.834
    4    H3*    G   1           H3*        G   1  -5.938 -22.571   4.155
    5    H2*    G   1           H2*        G   1  -6.104 -23.703   6.214
    6   2HO*    G   1          2HO*        G   1  -8.236 -25.290   5.959
    7    H1*    G   1           H1*        G   1  -6.529 -26.216   5.388
    8    H8     G   1           H8         G   1  -4.243 -25.142   2.742
    9    H1     G   1           H1         G   1  -1.191 -25.494   8.327
   10   1H2     G   1          1H2         G   1  -2.656 -25.640   9.984
   11   2H2     G   1          2H2         G   1  -4.385 -25.649   9.713
   12    H5T    G   1           H5T        G   1  -4.482 -22.958   1.679
   13   1H5*    G   2          1H5*        G   2  -7.935 -23.319   7.511
   14   2H5*    G   2          2H5*        G   2  -8.824 -21.822   7.858
   15    H4*    G   2           H4*        G   2  -7.779 -22.308   9.910
   16    H3*    G   2           H3*        G   2  -6.186 -20.333   8.265
   17    H2*    G   2           H2*        G   2  -4.462 -20.324   9.851
   18   2HO*    G   2          2HO*        G   2  -6.171 -21.623  11.727
   19    H1*    G   2           H1*        G   2  -4.595 -22.960  10.681
   20    H8     G   2           H8         G   2  -4.599 -22.348   6.911
   21    H1     G   2           H1         G   2   1.234 -22.478   9.484
   22   1H2     G   2          1H2         G   2   1.086 -22.554  11.695
   23   2H2     G   2          2H2         G   2  -0.449 -22.575  12.533
   24   1H5*    C   3          1H5*        C   3  -5.842 -19.739  12.760
   25   2H5*    C   3          2H5*        C   3  -6.760 -18.227  12.899
   26    H4*    C   3           H4*        C   3  -4.911 -17.960  14.363
   27    H3*    C   3           H3*        C   3  -4.636 -16.549  11.711
   28    H2*    C   3           H2*        C   3  -2.424 -15.889  12.169
   29   2HO*    C   3          2HO*        C   3  -2.181 -16.710  14.774
   30    H1*    C   3           H1*        C   3  -1.541 -18.124  13.504
   31   1H4     C   3          1H4         C   3   0.507 -18.999   7.559
   32   2H4     C   3          2H4         C   3  -1.130 -19.181   6.974
   33    H5     C   3           H5         C   3  -3.066 -18.925   8.372
   34    H6     C   3           H6         C   3  -3.862 -18.447  10.645
   35   1H5*    C   4          1H5*        C   4  -3.100 -14.398  14.763
   36   2H5*    C   4          2H5*        C   4  -3.060 -12.628  14.638
   37    H4*    C   4           H4*        C   4  -0.803 -13.935  14.585
   38    H3*    C   4           H3*        C   4  -1.710 -11.665  12.820
   39    H2*    C   4           H2*        C   4  -0.085 -12.055  11.254
   40   2HO*    C   4          2HO*        C   4   1.559 -11.337  12.600
   41    H1*    C   4           H1*        C   4   0.856 -14.626  12.280
   42   1H4     C   4          1H4         C   4   0.389 -15.148   5.950
   43   2H4     C   4          2H4         C   4  -1.346 -14.932   6.030
   44    H5     C   4           H5         C   4  -2.524 -14.462   8.080
   45    H6     C   4           H6         C   4  -2.296 -14.106  10.493
   46   1H5*    U   5          1H5*        U   5   2.455 -11.040  14.324
   47   2H5*    U   5          2H5*        U   5   2.687  -9.339  14.776
   48    H4*    U   5           H4*        U   5   4.509  -9.924  13.329
   49    H3*    U   5           H3*        U   5   2.330  -8.282  11.987
   50    H2*    U   5           H2*        U   5   3.594  -8.286   9.995
   51   2HO*    U   5          2HO*        U   5   5.728  -8.774  11.770
   52    H1*    U   5           H1*        U   5   4.624 -10.861  10.205
   53    H3     U   5           H3         U   5   2.130 -11.151   6.481
   54    H5     U   5           H5         U   5  -0.729 -10.551   9.518
   55    H6     U   5           H6         U   5   1.099 -10.256  11.092
   56   1H5*    U   6          1H5*        U   6   5.898  -7.202  10.748
   57   2H5*    U   6          2H5*        U   6   6.237  -5.460  10.710
   58    H4*    U   6           H4*        U   6   6.629  -6.419   8.495
   59    H3*    U   6           H3*        U   6   4.339  -4.512   8.916
   60    H2*    U   6           H2*        U   6   3.297  -5.120   6.950
   61   2HO*    U   6          2HO*        U   6   4.606  -5.346   5.019
   62    H1*    U   6           H1*        U   6   5.138  -7.341   6.284
   63    H3     U   6           H3         U   6   1.501  -8.880   4.142
   64    H5     U   6           H5         U   6   0.102  -8.227   8.063
   65    H6     U   6           H6         U   6   2.270  -7.288   8.611
   66   1H5*    A   7          1H5*        A   7   7.707  -4.162   5.910
   67   2H5*    A   7          2H5*        A   7   8.158  -2.530   5.375
   68    H4*    A   7           H4*        A   7   8.313  -4.126   3.510
   69    H3*    A   7           H3*        A   7   6.206  -1.955   3.459
   70    H2*    A   7           H2*        A   7   5.317  -2.745   1.444
   71   2HO*    A   7          2HO*        A   7   6.673  -4.454   0.278
   72    H1*    A   7           H1*        A   7   5.746  -5.470   1.807
   73    H8     A   7           H8         A   7   4.166  -3.320   4.580
   74   1H6     A   7          1H6         A   7  -1.271  -4.941   2.180
   75   2H6     A   7          2H6         A   7  -0.477  -4.094   3.489
   76    H2     A   7           H2         A   7   1.967  -6.576  -0.470
   77   1H5*    G   8          1H5*        G   8  10.545  -2.483  -0.994
   78   2H5*    G   8          2H5*        G   8  10.048  -0.913  -0.332
   79    H4*    G   8           H4*        G   8   9.826  -1.392  -2.919
   80    H3*    G   8           H3*        G   8   7.869   0.012  -1.076
   81    H2*    G   8           H2*        G   8   6.354   0.289  -2.865
   82   2HO*    G   8          2HO*        G   8   7.179  -0.295  -5.083
   83    H1*    G   8           H1*        G   8   6.765  -2.137  -4.121
   84    H8     G   8           H8         G   8   6.451  -2.007  -0.283
   85    H1     G   8           H1         G   8   0.925  -2.906  -3.338
   86   1H2     G   8          1H2         G   8   1.233  -2.744  -5.528
   87   2H2     G   8          2H2         G   8   2.798  -2.415  -6.237
   88   1H5*    G   9          1H5*        G   9  10.173   0.966  -4.539
   89   2H5*    G   9          2H5*        G   9  10.734   2.603  -4.934
   90    H4*    G   9           H4*        G   9  10.570   1.390  -7.002
   91    H3*    G   9           H3*        G   9   8.524   3.516  -6.448
   92    H2*    G   9           H2*        G   9   7.166   2.937  -8.289
   93   2HO*    G   9          2HO*        G   9   8.094   1.326  -9.860
   94    H1*    G   9           H1*        G   9   7.339   0.233  -8.191
   95    H8     G   9           H8         G   9   7.205   2.293  -4.917
   96    H1     G   9           H1         G   9   1.574   0.067  -6.913
   97   1H2     G   9          1H2         G   9   1.811  -0.943  -8.874
   98   2H2     G   9          2H2         G   9   3.355  -1.065  -9.687
   99   1H5*    A  10          1H5*        A  10   8.491   2.893 -10.804
  100   2H5*    A  10          2H5*        A  10   8.937   4.502 -11.408
  101    H4*    A  10           H4*        A  10   6.813   3.705 -12.403
  102    H3*    A  10           H3*        A  10   7.141   6.203 -10.879
  103    H2*    A  10           H2*        A  10   5.084   6.155  -9.836
  104   2HO*    A  10          2HO*        A  10   4.546   7.123 -11.974
  105    H1*    A  10           H1*        A  10   4.015   3.857 -11.427
  106    H8     A  10           H8         A  10   5.423   4.318  -7.863
  107   1H6     A  10          1H6         A  10  -0.271   3.113  -5.871
  108   2H6     A  10          2H6         A  10   1.375   3.457  -5.390
  109    H2     A  10           H2         A  10  -0.342   3.116 -10.363
  110   1H5*    A  11          1H5*        A  11   4.445   6.179 -16.073
  111   2H5*    A  11          2H5*        A  11   4.170   7.804 -15.410
  112    H4*    A  11           H4*        A  11   2.253   6.560 -16.749
  113    H3*    A  11           H3*        A  11   2.054   8.240 -14.231
  114    H2*    A  11           H2*        A  11  -0.276   7.808 -14.101
  115   2HO*    A  11          2HO*        A  11  -0.127   7.804 -16.720
  116    H1*    A  11           H1*        A  11  -0.211   5.155 -14.722
  117    H8     A  11           H8         A  11   2.790   5.800 -12.560
  118   1H6     A  11          1H6         A  11  -0.966   5.827  -7.680
  119   2H6     A  11          2H6         A  11   0.698   5.819  -8.196
  120    H2     A  11           H2         A  11  -3.501   5.849 -11.386
  121   1H5*    A  12          1H5*        A  12  -1.690   8.623 -15.908
  122   2H5*    A  12          2H5*        A  12  -1.914  10.359 -16.205
  123    H4*    A  12           H4*        A  12  -3.747   9.518 -14.821
  124    H3*    A  12           H3*        A  12  -1.729  11.395 -13.563
  125    H2*    A  12           H2*        A  12  -2.656  11.118 -11.477
  126   2HO*    A  12          2HO*        A  12  -5.138  10.147 -12.033
  127    H1*    A  12           H1*        A  12  -3.990   8.628 -11.881
  128    H8     A  12           H8         A  12  -0.236   8.634 -12.077
  129   1H6     A  12          1H6         A  12  -0.142   7.989  -5.957
  130   2H6     A  12          2H6         A  12   0.825   7.968  -7.415
  131    H2     A  12           H2         A  12  -4.367   8.863  -7.210
  132   1H5*    C  13          1H5*        C  13  -6.197  13.570 -13.883
  133   2H5*    C  13          2H5*        C  13  -5.961  15.145 -13.098
  134    H4*    C  13           H4*        C  13  -7.724  13.425 -12.136
  135    H3*    C  13           H3*        C  13  -5.773  15.196 -10.634
  136    H2*    C  13           H2*        C  13  -6.495  14.277  -8.572
  137   2HO*    C  13          2HO*        C  13  -8.408  12.573  -9.097
  138    H1*    C  13           H1*        C  13  -6.660  11.668  -9.343
  139   1H4     C  13          1H4         C  13  -0.915  12.536  -6.739
  140   2H4     C  13          2H4         C  13  -0.250  12.741  -8.343
  141    H5     C  13           H5         C  13  -1.615  12.879 -10.327
  142    H6     C  13           H6         C  13  -3.900  12.846 -11.191
  143   1H5*    A  14          1H5*        A  14  -8.959  14.412  -8.162
  144   2H5*    A  14          2H5*        A  14  -9.702  15.960  -7.712
  145    H4*    A  14           H4*        A  14  -9.217  14.694  -5.688
  146    H3*    A  14           H3*        A  14  -7.440  17.101  -6.234
  147    H2*    A  14           H2*        A  14  -6.335  16.698  -4.194
  148   2HO*    A  14          2HO*        A  14  -7.935  14.720  -3.159
  149    H1*    A  14           H1*        A  14  -6.496  13.912  -4.220
  150    H8     A  14           H8         A  14  -5.156  15.490  -7.403
  151   1H6     A  14          1H6         A  14   0.362  15.636  -4.682
  152   2H6     A  14          2H6         A  14  -0.505  15.892  -6.179
  153    H2     A  14           H2         A  14  -2.670  14.360  -1.620
  154   1H5*    G  15          1H5*        G  15  -9.406  16.391  -2.495
  155   2H5*    G  15          2H5*        G  15 -10.142  17.808  -1.721
  156    H4*    G  15           H4*        G  15  -9.020  16.420  -0.045
  157    H3*    G  15           H3*        G  15  -7.857  19.150  -0.685
  158    H2*    G  15           H2*        G  15  -6.148  18.798   0.945
  159   2HO*    G  15          2HO*        G  15  -7.949  17.504   2.244
  160    H1*    G  15           H1*        G  15  -5.511  16.258   0.241
  161    H8     G  15           H8         G  15  -6.562  18.253  -2.811
  162    H1     G  15           H1         G  15  -0.454  19.105  -1.232
  163   1H2     G  15          1H2         G  15  -0.045  18.209   0.755
  164   2H2     G  15          2H2         G  15  -1.284  17.403   1.693
  165   1H5*    U  16          1H5*        U  16  -7.619  22.431   2.603
  166   2H5*    U  16          2H5*        U  16  -7.147  21.648   1.084
  167    H4*    U  16           H4*        U  16  -5.940  20.932   3.780
  168    H3*    U  16           H3*        U  16  -5.190  23.067   1.759
  169    H2*    U  16           H2*        U  16  -2.886  22.565   2.089
  170   2HO*    U  16          2HO*        U  16  -3.409  20.634   4.079
  171    H1*    U  16           H1*        U  16  -3.101  19.865   1.991
  172    H3     U  16           H3         U  16  -1.434  22.004  -1.826
  173    H5     U  16           H5         U  16  -5.511  21.182  -2.466
  174    H6     U  16           H6         U  16  -5.701  20.609  -0.144
  175   1H5*    U  17          1H5*        U  17  -3.234  26.570   2.807
  176   2H5*    U  17          2H5*        U  17  -2.550  24.937   2.716
  177    H4*    U  17           H4*        U  17  -1.490  27.339   4.029
  178    H3*    U  17           H3*        U  17  -0.435  25.476   2.370
  179    H2*    U  17           H2*        U  17  -0.663  23.561   3.758
  180   2HO*    U  17          2HO*        U  17   1.765  24.740   4.710
  181    H1*    U  17           H1*        U  17   0.190  24.948   6.265
  182    H3     U  17           H3         U  17  -0.998  21.079   8.224
  183    H5     U  17           H5         U  17  -4.364  22.064   5.882
  184    H6     U  17           H6         U  17  -3.130  23.947   5.016
  185   1H5*    C  18          1H5*        C  18   2.689  25.272   2.476
  186   2H5*    C  18          2H5*        C  18   4.339  25.869   2.750
  187    H4*    C  18           H4*        C  18   4.664  25.424   0.552
  188    H3*    C  18           H3*        C  18   3.880  28.094   0.774
  189    H2*    C  18           H2*        C  18   1.628  27.776   0.060
  190   2HO*    C  18          2HO*        C  18   3.244  28.758  -1.743
  191    H1*    C  18           H1*        C  18   2.553  25.715  -1.954
  192   1H4     C  18          1H4         C  18  -3.844  25.528  -2.232
  193   2H4     C  18          2H4         C  18  -3.836  24.552  -0.781
  194    H5     C  18           H5         C  18  -1.845  24.110   0.502
  195    H6     C  18           H6         C  18   0.567  24.512   0.670
  196   1H5*    G  19          1H5*        G  19   6.668  24.360  -2.473
  197   2H5*    G  19          2H5*        G  19   5.303  24.905  -1.478
  198    H4*    G  19           H4*        G  19   7.990  24.193  -0.264
  199    H3*    G  19           H3*        G  19   5.643  22.373  -0.970
  200    H2*    G  19           H2*        G  19   6.101  21.175   1.018
  201   2HO*    G  19          2HO*        G  19   8.382  22.435   1.852
  202    H1*    G  19           H1*        G  19   6.798  23.359   2.588
  203    H8     G  19           H8         G  19   4.941  22.692   4.216
  204    H1     G  19           H1         G  19   0.498  22.292  -0.332
  205   1H2     G  19          1H2         G  19   1.398  22.701  -2.317
  206   2H2     G  19          2H2         G  19   3.091  23.070  -2.523
  207   1H5*    C  20          1H5*        C  20   8.194  20.090   0.346
  208   2H5*    C  20          2H5*        C  20   8.227  18.409  -0.224
  209    H4*    C  20           H4*        C  20   7.315  18.691   2.109
  210    H3*    C  20           H3*        C  20   5.745  17.417  -0.139
  211    H2*    C  20           H2*        C  20   3.843  17.154   1.267
  212   2HO*    C  20          2HO*        C  20   4.004  17.014   3.407
  213    H1*    C  20           H1*        C  20   3.823  19.602   2.361
  214   1H4     C  20          1H4         C  20   0.562  19.773  -3.148
  215   2H4     C  20          2H4         C  20   2.007  20.373  -3.935
  216    H5     C  20           H5         C  20   4.131  20.523  -2.862
  217    H6     C  20           H6         C  20   5.358  20.202  -0.775
  218   1H5*    U  21          1H5*        U  21   5.505  15.057   3.066
  219   2H5*    U  21          2H5*        U  21   5.685  13.295   2.963
  220    H4*    U  21           H4*        U  21   3.480  13.874   3.867
  221    H3*    U  21           H3*        U  21   3.588  12.649   1.090
  222    H2*    U  21           H2*        U  21   1.192  12.632   1.093
  223   2HO*    U  21          2HO*        U  21   1.145  13.618   3.752
  224    H1*    U  21           H1*        U  21   0.858  15.144   2.033
  225    H3     U  21           H3         U  21  -0.059  15.063  -2.470
  226    H5     U  21           H5         U  21   4.046  15.967  -2.109
  227    H6     U  21           H6         U  21   3.907  15.353   0.227
  228   1H5*    G  22          1H5*        G  22   1.038  11.322   3.476
  229   2H5*    G  22          2H5*        G  22   0.418   9.673   3.684
  230    H4*    G  22           H4*        G  22  -1.390  11.225   3.041
  231    H3*    G  22           H3*        G  22  -0.535   9.067   1.083
  232    H2*    G  22           H2*        G  22  -2.167   9.804  -0.425
  233   2HO*    G  22          2HO*        G  22  -3.871  11.318   0.450
  234    H1*    G  22           H1*        G  22  -2.169  12.509   0.252
  235    H8     G  22           H8         G  22   1.271  11.415  -0.586
  236    H1     G  22           H1         G  22  -2.324  12.026  -5.796
  237   1H2     G  22          1H2         G  22  -4.453  12.263  -5.234
  238   2H2     G  22          2H2         G  22  -4.988  12.269  -3.567
  239   1H5*    U  23          1H5*        U  23  -4.227   9.539   1.589
  240   2H5*    U  23          2H5*        U  23  -5.279   8.423   2.483
  241    H4*    U  23           H4*        U  23  -6.751   9.087   0.838
  242    H3*    U  23           H3*        U  23  -5.159   6.750  -0.276
  243    H2*    U  23           H2*        U  23  -6.462   6.921  -2.286
  244   2HO*    U  23          2HO*        U  23  -7.949   9.131  -1.534
  245    H1*    U  23           H1*        U  23  -6.151   9.600  -2.575
  246    H3     U  23           H3         U  23  -3.060   7.941  -5.470
  247    H5     U  23           H5         U  23  -1.293   7.458  -1.677
  248    H6     U  23           H6         U  23  -3.383   8.156  -0.677
  249   1H5*    G  24          1H5*        G  24  -9.169   5.051  -0.504
  250   2H5*    G  24          2H5*        G  24  -8.935   3.356  -0.976
  251    H4*    G  24           H4*        G  24  -9.561   5.169  -2.787
  252    H3*    G  24           H3*        G  24  -7.410   3.027  -3.080
  253    H2*    G  24           H2*        G  24  -7.196   3.743  -5.338
  254   2HO*    G  24          2HO*        G  24  -9.715   5.016  -4.891
  255    H1*    G  24           H1*        G  24  -7.558   6.464  -4.801
  256    H8     G  24           H8         G  24  -5.063   5.275  -2.340
  257    H1     G  24           H1         G  24  -2.602   5.640  -8.194
  258   1H2     G  24          1H2         G  24  -4.218   5.875  -9.693
  259   2H2     G  24          2H2         G  24  -5.907   5.941  -9.243
  260   1H5*    C  25          1H5*        C  25  -9.493   1.938  -6.648
  261   2H5*    C  25          2H5*        C  25  -8.972   0.252  -6.832
  262    H4*    C  25           H4*        C  25  -7.979   2.137  -8.399
  263    H3*    C  25           H3*        C  25  -6.456  -0.128  -7.050
  264    H2*    C  25           H2*        C  25  -4.481   0.680  -8.014
  265   2HO*    C  25          2HO*        C  25  -5.494   0.614 -10.160
  266    H1*    C  25           H1*        C  25  -5.323   3.410  -8.279
  267   1H4     C  25          1H4         C  25  -0.235   3.205  -4.446
  268   2H4     C  25          2H4         C  25  -1.303   2.993  -3.077
  269    H5     C  25           H5         C  25  -3.680   2.648  -3.304
  270    H6     C  25           H6         C  25  -5.532   2.426  -4.892
  271   1H5*    C  26          1H5*        C  26  -6.175  -1.262 -10.908
  272   2H5*    C  26          2H5*        C  26  -6.656  -2.888 -11.431
  273    H4*    C  26           H4*        C  26  -4.316  -2.891 -11.710
  274    H3*    C  26           H3*        C  26  -5.257  -4.220  -9.193
  275    H2*    C  26           H2*        C  26  -3.231  -3.944  -8.111
  276   2HO*    C  26          2HO*        C  26  -2.632  -5.491 -10.173
  277    H1*    C  26           H1*        C  26  -1.928  -2.516 -10.375
  278   1H4     C  26          1H4         C  26   0.678   0.455  -5.418
  279   2H4     C  26          2H4         C  26  -0.859   0.548  -4.590
  280    H5     C  26           H5         C  26  -2.892  -0.378  -5.480
  281    H6     C  26           H6         C  26  -3.896  -1.598  -7.351
  282   1H5*    G  27          1H5*        G  27  -3.925  -6.414  -8.617
  283   2H5*    G  27          2H5*        G  27  -4.528  -8.067  -8.869
  284    H4*    G  27           H4*        G  27  -4.840  -7.977  -6.607
  285    H3*    G  27           H3*        G  27  -7.251  -7.027  -7.994
  286    H2*    G  27           H2*        G  27  -7.707  -5.260  -6.580
  287   2HO*    G  27          2HO*        G  27  -7.491  -6.655  -4.211
  288    H1*    G  27           H1*        G  27  -5.682  -6.005  -4.513
  289    H8     G  27           H8         G  27  -5.117  -3.380  -7.189
  290    H1     G  27           H1         G  27  -7.308  -0.955  -1.711
  291   1H2     G  27          1H2         G  27  -7.917  -2.595  -0.347
  292   2H2     G  27          2H2         G  27  -7.782  -4.283  -0.787
  293   1H5*    A  28          1H5*        A  28  -5.153 -10.139  -8.474
  294   2H5*    A  28          2H5*        A  28  -5.089 -11.871  -8.094
  295    H4*    A  28           H4*        A  28  -3.029 -10.794  -7.340
  296    H3*    A  28           H3*        A  28  -4.981 -11.743  -5.217
  297    H2*    A  28           H2*        A  28  -3.543 -10.971  -3.530
  298   2HO*    A  28          2HO*        A  28  -1.610 -11.840  -3.989
  299    H1*    A  28           H1*        A  28  -2.435  -8.786  -4.914
  300    H8     A  28           H8         A  28  -6.250  -9.101  -4.714
  301   1H6     A  28          1H6         A  28  -5.841  -5.826   0.493
  302   2H6     A  28          2H6         A  28  -6.938  -6.534  -0.670
  303    H2     A  28           H2         A  28  -1.676  -6.794  -0.888
  304   1H5*    A  29          1H5*        A  29  -0.773 -12.786  -5.806
  305   2H5*    A  29          2H5*        A  29  -0.138 -14.345  -5.242
  306    H4*    A  29           H4*        A  29   1.348 -12.282  -4.850
  307    H3*    A  29           H3*        A  29   0.524 -14.292  -2.738
  308    H2*    A  29           H2*        A  29   1.561 -13.055  -1.063
  309   2HO*    A  29          2HO*        A  29   3.549 -13.056  -2.518
  310    H1*    A  29           H1*        A  29   1.426 -10.485  -2.281
  311    H8     A  29           H8         A  29  -1.894 -12.188  -1.678
  312   1H6     A  29          1H6         A  29  -1.685  -9.974   4.067
  313   2H6     A  29          2H6         A  29  -2.676 -10.796   2.884
  314    H2     A  29           H2         A  29   2.280  -9.163   2.109
  315   1H5*    A  30          1H5*        A  30   5.348 -12.962  -3.019
  316   2H5*    A  30          2H5*        A  30   5.903 -14.648  -3.008
  317    H4*    A  30           H4*        A  30   7.423 -13.511  -1.593
  318    H3*    A  30           H3*        A  30   5.272 -15.015  -0.089
  319    H2*    A  30           H2*        A  30   6.019 -14.179   1.969
  320   2HO*    A  30          2HO*        A  30   8.454 -13.716   0.573
  321    H1*    A  30           H1*        A  30   6.794 -11.656   1.200
  322    H8     A  30           H8         A  30   3.456 -12.282  -0.312
  323   1H6     A  30          1H6         A  30   0.914 -11.316   5.211
  324   2H6     A  30          2H6         A  30   0.599 -11.523   3.503
  325    H2     A  30           H2         A  30   5.372 -11.616   5.755
  326   1H5*    G  31          1H5*        G  31   9.348 -15.087   1.672
  327   2H5*    G  31          2H5*        G  31   9.843 -16.785   1.527
  328    H4*    G  31           H4*        G  31  10.752 -15.999   3.594
  329    H3*    G  31           H3*        G  31   8.364 -17.819   3.766
  330    H2*    G  31           H2*        G  31   8.093 -17.505   6.089
  331   2HO*    G  31          2HO*        G  31  10.122 -17.724   6.896
  332    H1*    G  31           H1*        G  31   8.541 -14.842   6.258
  333    H8     G  31           H8         G  31   6.791 -15.840   3.016
  334    H1     G  31           H1         G  31   2.822 -14.963   7.934
  335   1H2     G  31          1H2         G  31   3.984 -14.690   9.803
  336   2H2     G  31          2H2         G  31   5.733 -14.724   9.834
  337   1H5*    G  32          1H5*        G  32  11.469 -18.957   7.031
  338   2H5*    G  32          2H5*        G  32  11.153 -20.668   7.385
  339    H4*    G  32           H4*        G  32  10.889 -18.849   9.282
  340    H3*    G  32           H3*        G  32   9.075 -21.200   8.657
  341    H2*    G  32           H2*        G  32   7.634 -20.559  10.413
  342   2HO*    G  32          2HO*        G  32   9.807 -20.046  11.677
  343    H1*    G  32           H1*        G  32   7.911 -17.800  10.159
  344    H8     G  32           H8         G  32   7.256 -19.589   6.868
  345    H1     G  32           H1         G  32   1.945 -18.373  10.171
  346   1H2     G  32          1H2         G  32   2.450 -17.689  12.214
  347   2H2     G  32          2H2         G  32   4.102 -17.524  12.770
  348   1H5*    U  33          1H5*        U  33   9.399 -22.430  12.602
  349   2H5*    U  33          2H5*        U  33   9.067 -24.170  12.472
  350    H4*    U  33           H4*        U  33   7.170 -22.508  13.261
  351    H3*    U  33           H3*        U  33   6.963 -24.859  11.357
  352    H2*    U  33           H2*        U  33   4.769 -24.312  10.839
  353   2HO*    U  33          2HO*        U  33   4.115 -24.516  13.052
  354    H1*    U  33           H1*        U  33   4.847 -21.547  11.629
  355    H3     U  33           H3         U  33   2.489 -22.166   7.708
  356    H5     U  33           H5         U  33   6.564 -22.020   6.637
  357    H6     U  33           H6         U  33   7.119 -22.125   8.994
  358   1H5*    C  34          1H5*        C  34   4.360 -25.132  14.857
  359   2H5*    C  34          2H5*        C  34   4.343 -26.689  15.710
  360    H4*    C  34           H4*        C  34   2.056 -26.170  15.456
  361    H3*    C  34           H3*        C  34   3.041 -27.976  13.234
  362    H2*    C  34           H2*        C  34   0.914 -28.012  12.281
  363   2HO*    C  34          2HO*        C  34  -0.107 -28.406  14.408
  364    H1*    C  34           H1*        C  34   0.201 -25.381  12.890
  365   1H4     C  34          1H4         C  34   1.626 -25.516   6.696
  366   2H4     C  34          2H4         C  34   3.335 -25.594   7.062
  367    H5     C  34           H5         C  34   4.197 -25.776   9.305
  368    H6     C  34           H6         C  34   3.606 -25.919  11.682
  369    H3T    C  34           H3T        C  34   2.098 -29.506  14.526
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  -2.563 -27.523  -1.731
    2   2H5*    G   1          2H5*        G   1  -3.277 -25.965  -1.267
    3    H4*    G   1           H4*        G   1  -4.069 -27.843   0.164
    4    H3*    G   1           H3*        G   1  -2.582 -25.466   1.258
    5    H2*    G   1           H2*        G   1  -2.415 -26.388   3.418
    6   2HO*    G   1          2HO*        G   1  -4.769 -27.495   2.736
    7    H1*    G   1           H1*        G   1  -1.893 -28.972   2.796
    8    H8     G   1           H8         G   1  -0.009 -26.956   0.280
    9    H1     G   1           H1         G   1   2.761 -26.811   6.022
   10   1H2     G   1          1H2         G   1   1.390 -27.652   7.544
   11   2H2     G   1          2H2         G   1  -0.207 -28.247   7.148
   12    H5T    G   1           H5T        G   1  -1.336 -25.539  -0.107
   13   1H5*    G   2          1H5*        G   2  -4.649 -27.007   4.434
   14   2H5*    G   2          2H5*        G   2  -6.156 -26.072   4.429
   15    H4*    G   2           H4*        G   2  -5.783 -26.169   6.703
   16    H3*    G   2           H3*        G   2  -4.268 -23.755   5.652
   17    H2*    G   2           H2*        G   2  -3.487 -23.328   7.853
   18   2HO*    G   2          2HO*        G   2  -4.513 -24.044   9.639
   19    H1*    G   2           H1*        G   2  -2.988 -25.936   8.570
   20    H8     G   2           H8         G   2  -2.010 -24.979   4.999
   21    H1     G   2           H1         G   2   2.499 -23.702   9.320
   22   1H2     G   2          1H2         G   2   1.714 -24.049  11.363
   23   2H2     G   2          2H2         G   2   0.079 -24.597  11.664
   24   1H5*    C   3          1H5*        C   3  -5.768 -22.420   9.135
   25   2H5*    C   3          2H5*        C   3  -6.238 -20.713   9.026
   26    H4*    C   3           H4*        C   3  -4.261 -21.242  10.563
   27    H3*    C   3           H3*        C   3  -4.192 -19.215   8.309
   28    H2*    C   3           H2*        C   3  -1.921 -18.865   8.628
   29   2HO*    C   3          2HO*        C   3  -1.119 -18.538  10.599
   30    H1*    C   3           H1*        C   3  -1.382 -21.299  10.121
   31   1H4     C   3          1H4         C   3   2.728 -20.920   5.248
   32   2H4     C   3          2H4         C   3   1.508 -21.583   4.184
   33    H5     C   3           H5         C   3  -0.765 -21.991   4.873
   34    H6     C   3           H6         C   3  -2.357 -21.850   6.730
   35   1H5*    C   4          1H5*        C   4  -3.560 -17.653  12.641
   36   2H5*    C   4          2H5*        C   4  -4.248 -16.026  12.810
   37    H4*    C   4           H4*        C   4  -2.072 -16.099  13.906
   38    H3*    C   4           H3*        C   4  -2.389 -14.463  11.387
   39    H2*    C   4           H2*        C   4  -0.098 -13.944  11.321
   40   2HO*    C   4          2HO*        C   4   0.800 -15.036  13.640
   41    H1*    C   4           H1*        C   4   0.952 -16.309  12.104
   42   1H4     C   4          1H4         C   4   1.082 -16.396   5.752
   43   2H4     C   4          2H4         C   4  -0.640 -16.696   5.687
   44    H5     C   4           H5         C   4  -2.046 -16.754   7.642
   45    H6     C   4           H6         C   4  -2.105 -16.543  10.084
   46   1H5*    U   5          1H5*        U   5   0.689 -12.791  14.085
   47   2H5*    U   5          2H5*        U   5   0.161 -11.121  14.377
   48    H4*    U   5           H4*        U   5   2.542 -11.195  13.748
   49    H3*    U   5           H3*        U   5   0.535  -9.878  11.904
   50    H2*    U   5           H2*        U   5   2.219  -9.404  10.322
   51   2HO*    U   5          2HO*        U   5   4.521  -9.858  11.045
   52    H1*    U   5           H1*        U   5   3.686 -11.715  10.545
   53    H3     U   5           H3         U   5   1.938 -12.196   6.437
   54    H5     U   5           H5         U   5  -1.425 -12.479   8.963
   55    H6     U   5           H6         U   5   0.022 -11.935  10.837
   56   1H5*    U   6          1H5*        U   6   3.836  -7.848  11.375
   57   2H5*    U   6          2H5*        U   6   3.669  -6.147  11.855
   58    H4*    U   6           H4*        U   6   4.509  -6.018   9.654
   59    H3*    U   6           H3*        U   6   1.494  -5.735   9.746
   60    H2*    U   6           H2*        U   6   1.358  -5.784   7.430
   61   2HO*    U   6          2HO*        U   6   4.024  -5.023   6.972
   62    H1*    U   6           H1*        U   6   3.932  -7.011   6.922
   63    H3     U   6           H3         U   6   1.434  -9.338   4.009
   64    H5     U   6           H5         U   6  -0.510 -10.015   7.689
   65    H6     U   6           H6         U   6   1.059  -8.483   8.724
   66   1H5*    A   7          1H5*        A   7   4.553  -2.976   8.121
   67   2H5*    A   7          2H5*        A   7   4.208  -1.240   7.987
   68    H4*    A   7           H4*        A   7   5.498  -2.037   6.048
   69    H3*    A   7           H3*        A   7   2.707  -0.963   5.762
   70    H2*    A   7           H2*        A   7   2.490  -1.589   3.511
   71   2HO*    A   7          2HO*        A   7   4.174  -1.177   2.302
   72    H1*    A   7           H1*        A   7   3.761  -3.993   3.541
   73    H8     A   7           H8         A   7   1.631  -3.154   6.627
   74   1H6     A   7          1H6         A   7  -3.034  -5.876   3.669
   75   2H6     A   7          2H6         A   7  -2.522  -5.145   5.174
   76    H2     A   7           H2         A   7   0.469  -5.673   0.862
   77   1H5*    G   8          1H5*        G   8   7.066   1.087   1.600
   78   2H5*    G   8          2H5*        G   8   6.951   1.891   3.179
   79    H4*    G   8           H4*        G   8   5.935   3.064   1.066
   80    H3*    G   8           H3*        G   8   4.647   2.748   3.791
   81    H2*    G   8           H2*        G   8   2.759   3.955   3.041
   82   2HO*    G   8          2HO*        G   8   2.769   5.146   1.114
   83    H1*    G   8           H1*        G   8   2.587   2.806   0.551
   84    H8     G   8           H8         G   8   3.427   0.913   3.832
   85    H1     G   8           H1         G   8  -2.633   0.413   1.911
   86   1H2     G   8          1H2         G   8  -2.951   1.627   0.081
   87   2H2     G   8          2H2         G   8  -1.670   2.558  -0.663
   88   1H5*    G   9          1H5*        G   9   8.414   3.489   0.795
   89   2H5*    G   9          2H5*        G   9   8.406   5.196   0.306
   90    H4*    G   9           H4*        G   9   8.898   3.551  -1.558
   91    H3*    G   9           H3*        G   9   6.717   5.627  -1.606
   92    H2*    G   9           H2*        G   9   5.811   4.825  -3.621
   93   2HO*    G   9          2HO*        G   9   8.314   3.484  -3.963
   94    H1*    G   9           H1*        G   9   6.200   2.128  -3.288
   95    H8     G   9           H8         G   9   4.912   4.344  -0.396
   96    H1     G   9           H1         G   9   0.356   1.362  -3.714
   97   1H2     G   9          1H2         G   9   1.246   0.304  -5.447
   98   2H2     G   9          2H2         G   9   2.962   0.334  -5.786
   99   1H5*    A  10          1H5*        A  10   7.927   4.937  -5.434
  100   2H5*    A  10          2H5*        A  10   8.334   6.436  -6.297
  101    H4*    A  10           H4*        A  10   6.637   5.153  -7.534
  102    H3*    A  10           H3*        A  10   6.190   7.884  -6.492
  103    H2*    A  10           H2*        A  10   3.944   7.612  -6.046
  104   2HO*    A  10          2HO*        A  10   3.949   8.042  -8.438
  105    H1*    A  10           H1*        A  10   3.739   4.908  -7.315
  106    H8     A  10           H8         A  10   4.012   6.091  -3.653
  107   1H6     A  10          1H6         A  10  -1.896   4.471  -3.085
  108   2H6     A  10          2H6         A  10  -0.490   5.086  -2.248
  109    H2     A  10           H2         A  10  -0.680   3.823  -7.367
  110   1H5*    A  11          1H5*        A  11   4.903   6.774 -12.078
  111   2H5*    A  11          2H5*        A  11   4.353   8.426 -11.735
  112    H4*    A  11           H4*        A  11   2.896   6.815 -13.252
  113    H3*    A  11           H3*        A  11   1.972   8.744 -11.093
  114    H2*    A  11           H2*        A  11  -0.277   8.079 -11.474
  115   2HO*    A  11          2HO*        A  11   0.636   6.635 -13.770
  116    H1*    A  11           H1*        A  11   0.168   5.393 -11.697
  117    H8     A  11           H8         A  11   2.423   6.567  -8.956
  118   1H6     A  11          1H6         A  11  -2.495   6.841  -5.249
  119   2H6     A  11          2H6         A  11  -0.756   6.932  -5.313
  120    H2     A  11           H2         A  11  -3.943   6.167  -9.446
  121   1H5*    A  12          1H5*        A  12  -1.319   8.453 -13.547
  122   2H5*    A  12          2H5*        A  12  -1.460  10.054 -14.302
  123    H4*    A  12           H4*        A  12  -3.610   9.575 -13.376
  124    H3*    A  12           H3*        A  12  -1.943  11.486 -11.706
  125    H2*    A  12           H2*        A  12  -3.575  11.547 -10.070
  126   2HO*    A  12          2HO*        A  12  -5.231  11.300 -12.261
  127    H1*    A  12           H1*        A  12  -4.717   9.003 -10.459
  128    H8     A  12           H8         A  12  -0.996   9.193  -9.736
  129   1H6     A  12          1H6         A  12  -2.478   9.057  -3.760
  130   2H6     A  12          2H6         A  12  -1.164   8.972  -4.912
  131    H2     A  12           H2         A  12  -6.260   9.566  -6.132
  132   1H5*    C  13          1H5*        C  13  -5.959  13.819 -13.432
  133   2H5*    C  13          2H5*        C  13  -5.692  15.477 -12.854
  134    H4*    C  13           H4*        C  13  -7.870  14.225 -12.141
  135    H3*    C  13           H3*        C  13  -6.007  15.796 -10.320
  136    H2*    C  13           H2*        C  13  -7.509  15.339  -8.504
  137   2HO*    C  13          2HO*        C  13  -9.470  15.650  -9.683
  138    H1*    C  13           H1*        C  13  -7.824  12.725  -9.004
  139   1H4     C  13          1H4         C  13  -2.799  13.132  -5.142
  140   2H4     C  13          2H4         C  13  -1.741  13.207  -6.532
  141    H5     C  13           H5         C  13  -2.548  13.367  -8.794
  142    H6     C  13           H6         C  13  -4.537  13.488 -10.212
  143   1H5*    A  14          1H5*        A  14  -9.644  18.088  -9.672
  144   2H5*    A  14          2H5*        A  14  -9.237  19.799  -9.908
  145    H4*    A  14           H4*        A  14 -10.108  19.559  -7.672
  146    H3*    A  14           H3*        A  14  -7.088  19.902  -7.831
  147    H2*    A  14           H2*        A  14  -7.052  19.938  -5.437
  148   2HO*    A  14          2HO*        A  14  -8.949  20.101  -4.219
  149    H1*    A  14           H1*        A  14  -8.700  17.838  -5.063
  150    H8     A  14           H8         A  14  -6.596  17.146  -8.121
  151   1H6     A  14          1H6         A  14  -2.167  15.221  -4.304
  152   2H6     A  14          2H6         A  14  -2.685  15.309  -5.972
  153    H2     A  14           H2         A  14  -5.370  17.194  -1.842
  154   1H5*    G  15          1H5*        G  15  -8.396  22.086  -4.869
  155   2H5*    G  15          2H5*        G  15  -8.275  23.835  -5.138
  156    H4*    G  15           H4*        G  15  -7.545  23.605  -2.927
  157    H3*    G  15           H3*        G  15  -5.153  23.591  -4.817
  158    H2*    G  15           H2*        G  15  -3.722  23.411  -2.906
  159   2HO*    G  15          2HO*        G  15  -4.543  24.757  -1.400
  160    H1*    G  15           H1*        G  15  -5.170  21.496  -1.603
  161    H8     G  15           H8         G  15  -5.305  21.002  -5.366
  162    H1     G  15           H1         G  15  -0.137  18.450  -2.686
  163   1H2     G  15          1H2         G  15   0.016  19.077  -0.562
  164   2H2     G  15          2H2         G  15  -1.159  20.133   0.190
  165   1H5*    U  16          1H5*        U  16  -1.944  26.969  -4.555
  166   2H5*    U  16          2H5*        U  16  -2.526  25.341  -4.945
  167    H4*    U  16           H4*        U  16  -1.387  26.102  -2.234
  168    H3*    U  16           H3*        U  16  -0.035  25.126  -4.771
  169    H2*    U  16           H2*        U  16   1.390  23.739  -3.463
  170   2HO*    U  16          2HO*        U  16   0.458  25.360  -1.321
  171    H1*    U  16           H1*        U  16  -0.531  22.726  -1.836
  172    H3     U  16           H3         U  16   0.981  19.921  -5.263
  173    H5     U  16           H5         U  16  -2.592  21.733  -6.552
  174    H6     U  16           H6         U  16  -2.463  23.201  -4.658
  175   1H5*    U  17          1H5*        U  17   3.999  26.116  -5.740
  176   2H5*    U  17          2H5*        U  17   3.570  24.756  -4.686
  177    H4*    U  17           H4*        U  17   6.110  26.086  -4.958
  178    H3*    U  17           H3*        U  17   5.359  23.548  -4.397
  179    H2*    U  17           H2*        U  17   4.341  23.944  -2.275
  180   2HO*    U  17          2HO*        U  17   5.727  22.505  -1.500
  181    H1*    U  17           H1*        U  17   6.518  25.768  -1.324
  182    H3     U  17           H3         U  17   3.895  26.525   2.233
  183    H5     U  17           H5         U  17   1.236  26.940  -1.013
  184    H6     U  17           H6         U  17   3.043  26.297  -2.490
  185   1H5*    C  18          1H5*        C  18   7.197  20.766  -2.780
  186   2H5*    C  18          2H5*        C  18   8.732  20.871  -3.666
  187    H4*    C  18           H4*        C  18   7.780  18.597  -3.795
  188    H3*    C  18           H3*        C  18   8.842  19.988  -5.918
  189    H2*    C  18           H2*        C  18   6.778  20.793  -6.809
  190   2HO*    C  18          2HO*        C  18   6.615  18.217  -7.964
  191    H1*    C  18           H1*        C  18   5.446  18.132  -6.297
  192   1H4     C  18          1H4         C  18   0.594  21.913  -7.951
  193   2H4     C  18          2H4         C  18   0.829  22.858  -6.499
  194    H5     C  18           H5         C  18   2.655  22.510  -4.974
  195    H6     C  18           H6         C  18   4.655  21.173  -4.507
  196   1H5*    G  19          1H5*        G  19   8.738  15.262  -3.742
  197   2H5*    G  19          2H5*        G  19   7.407  16.437  -3.753
  198    H4*    G  19           H4*        G  19   9.195  15.596  -1.481
  199    H3*    G  19           H3*        G  19   6.219  16.014  -1.953
  200    H2*    G  19           H2*        G  19   5.956  16.464   0.347
  201   2HO*    G  19          2HO*        G  19   8.565  15.677   1.047
  202    H1*    G  19           H1*        G  19   8.418  17.743   0.756
  203    H8     G  19           H8         G  19   7.384  19.941   1.525
  204    H1     G  19           H1         G  19   2.896  19.908  -3.002
  205   1H2     G  19          1H2         G  19   3.156  18.129  -4.306
  206   2H2     G  19          2H2         G  19   4.430  16.959  -4.056
  207   1H5*    C  20          1H5*        C  20   6.426  14.139   1.164
  208   2H5*    C  20          2H5*        C  20   5.185  12.951   1.607
  209    H4*    C  20           H4*        C  20   5.085  15.024   2.997
  210    H3*    C  20           H3*        C  20   2.780  14.139   1.251
  211    H2*    C  20           H2*        C  20   1.501  16.046   1.880
  212   2HO*    C  20          2HO*        C  20   3.313  17.223   3.591
  213    H1*    C  20           H1*        C  20   3.438  17.906   1.591
  214   1H4     C  20          1H4         C  20   0.700  17.182  -4.135
  215   2H4     C  20          2H4         C  20   1.874  15.944  -4.525
  216    H5     C  20           H5         C  20   3.468  15.092  -2.951
  217    H6     C  20           H6         C  20   4.289  15.231  -0.650
  218   1H5*    U  21          1H5*        U  21   1.238  15.300   4.226
  219   2H5*    U  21          2H5*        U  21   0.774  14.290   5.609
  220    H4*    U  21           H4*        U  21  -1.064  15.649   5.597
  221    H3*    U  21           H3*        U  21  -1.612  13.506   3.520
  222    H2*    U  21           H2*        U  21  -3.684  14.568   3.004
  223   2HO*    U  21          2HO*        U  21  -3.678  16.665   4.715
  224    H1*    U  21           H1*        U  21  -2.746  17.142   2.996
  225    H3     U  21           H3         U  21  -3.390  16.220  -1.388
  226    H5     U  21           H5         U  21   0.125  14.117  -0.404
  227    H6     U  21           H6         U  21  -0.246  14.712   1.919
  228   1H5*    G  22          1H5*        G  22  -4.656  13.845   5.073
  229   2H5*    G  22          2H5*        G  22  -5.719  12.588   5.733
  230    H4*    G  22           H4*        G  22  -6.962  13.420   3.934
  231    H3*    G  22           H3*        G  22  -5.336  11.016   3.015
  232    H2*    G  22           H2*        G  22  -6.251  11.275   0.873
  233   2HO*    G  22          2HO*        G  22  -8.227  13.099   1.341
  234    H1*    G  22           H1*        G  22  -6.621  14.061   0.955
  235    H8     G  22           H8         G  22  -3.087  12.964   1.635
  236    H1     G  22           H1         G  22  -4.484  13.102  -4.579
  237   1H2     G  22          1H2         G  22  -6.665  13.378  -4.861
  238   2H2     G  22          2H2         G  22  -7.774  13.528  -3.516
  239   1H5*    U  23          1H5*        U  23  -8.957  11.187   2.025
  240   2H5*    U  23          2H5*        U  23 -10.247  10.149   2.667
  241    H4*    U  23           H4*        U  23 -11.002  10.329   0.506
  242    H3*    U  23           H3*        U  23  -8.946   8.085   0.478
  243    H2*    U  23           H2*        U  23  -9.467   7.787  -1.850
  244   2HO*    U  23          2HO*        U  23 -11.504   9.765  -1.475
  245    H1*    U  23           H1*        U  23  -9.278  10.435  -2.476
  246    H3     U  23           H3         U  23  -5.264   8.908  -3.937
  247    H5     U  23           H5         U  23  -4.885   8.929   0.265
  248    H6     U  23           H6         U  23  -7.239   9.491   0.419
  249   1H5*    G  24          1H5*        G  24 -12.488   5.839  -0.734
  250   2H5*    G  24          2H5*        G  24 -11.979   4.140  -0.787
  251    H4*    G  24           H4*        G  24 -12.070   5.577  -2.997
  252    H3*    G  24           H3*        G  24  -9.786   3.723  -2.183
  253    H2*    G  24           H2*        G  24  -8.881   4.134  -4.340
  254   2HO*    G  24          2HO*        G  24 -10.478   5.516  -5.758
  255    H1*    G  24           H1*        G  24  -9.696   6.820  -4.469
  256    H8     G  24           H8         G  24  -7.950   6.367  -1.228
  257    H1     G  24           H1         G  24  -3.899   6.362  -6.132
  258   1H2     G  24          1H2         G  24  -5.007   6.165  -8.040
  259   2H2     G  24          2H2         G  24  -6.749   6.031  -8.100
  260   1H5*    C  25          1H5*        C  25 -10.445   2.298  -6.126
  261   2H5*    C  25          2H5*        C  25  -9.925   0.606  -6.028
  262    H4*    C  25           H4*        C  25  -8.489   2.360  -7.372
  263    H3*    C  25           H3*        C  25  -7.734  -0.018  -5.751
  264    H2*    C  25           H2*        C  25  -5.785   0.905  -4.934
  265   2HO*    C  25          2HO*        C  25  -4.533   1.913  -7.000
  266    H1*    C  25           H1*        C  25  -5.919   3.370  -6.614
  267   1H4     C  25          1H4         C  25  -2.551   4.983  -1.458
  268   2H4     C  25          2H4         C  25  -3.975   4.816  -0.456
  269    H5     C  25           H5         C  25  -6.086   3.997  -1.296
  270    H6     C  25           H6         C  25  -7.272   3.159  -3.277
  271   1H5*    C  26          1H5*        C  26  -5.846  -1.068  -9.960
  272   2H5*    C  26          2H5*        C  26  -6.037  -2.829 -10.077
  273    H4*    C  26           H4*        C  26  -3.659  -2.226  -9.879
  274    H3*    C  26           H3*        C  26  -5.050  -3.806  -7.741
  275    H2*    C  26           H2*        C  26  -3.501  -3.233  -6.123
  276   2HO*    C  26          2HO*        C  26  -1.162  -3.430  -6.873
  277    H1*    C  26           H1*        C  26  -1.856  -1.562  -7.971
  278   1H4     C  26          1H4         C  26  -1.074   1.561  -2.506
  279   2H4     C  26          2H4         C  26  -2.762   1.370  -2.087
  280    H5     C  26           H5         C  26  -4.335   0.174  -3.464
  281    H6     C  26           H6         C  26  -4.627  -1.095  -5.544
  282   1H5*    G  27          1H5*        G  27  -3.381  -5.518  -6.710
  283   2H5*    G  27          2H5*        G  27  -3.452  -7.278  -6.905
  284    H4*    G  27           H4*        G  27  -4.276  -7.167  -4.773
  285    H3*    G  27           H3*        G  27  -6.638  -6.628  -6.599
  286    H2*    G  27           H2*        G  27  -7.986  -6.134  -4.754
  287   2HO*    G  27          2HO*        G  27  -7.850  -7.244  -2.931
  288    H1*    G  27           H1*        G  27  -5.966  -5.164  -3.019
  289    H8     G  27           H8         G  27  -5.670  -2.949  -5.852
  290    H1     G  27           H1         G  27 -11.305  -2.016  -3.017
  291   1H2     G  27          1H2         G  27 -11.749  -3.694  -1.637
  292   2H2     G  27          2H2         G  27 -10.658  -5.043  -1.416
  293   1H5*    A  28          1H5*        A  28  -3.721  -9.165  -7.973
  294   2H5*    A  28          2H5*        A  28  -3.273 -10.870  -7.769
  295    H4*    A  28           H4*        A  28  -1.549  -9.298  -6.868
  296    H3*    A  28           H3*        A  28  -2.993 -11.283  -5.094
  297    H2*    A  28           H2*        A  28  -1.859 -10.495  -3.193
  298   2HO*    A  28          2HO*        A  28   0.198 -10.512  -4.580
  299    H1*    A  28           H1*        A  28  -1.688  -7.805  -3.873
  300    H8     A  28           H8         A  28  -5.073  -9.590  -4.271
  301   1H6     A  28          1H6         A  28  -6.244  -7.759   1.493
  302   2H6     A  28          2H6         A  28  -6.907  -8.538   0.074
  303    H2     A  28           H2         A  28  -1.992  -6.676   0.513
  304   1H5*    A  29          1H5*        A  29   1.777 -11.875  -6.262
  305   2H5*    A  29          2H5*        A  29   2.524 -13.160  -5.290
  306    H4*    A  29           H4*        A  29   3.686 -10.802  -5.473
  307    H3*    A  29           H3*        A  29   3.360 -12.599  -3.063
  308    H2*    A  29           H2*        A  29   4.350 -10.969  -1.642
  309   2HO*    A  29          2HO*        A  29   5.612 -10.263  -3.914
  310    H1*    A  29           H1*        A  29   3.020  -8.811  -2.547
  311    H8     A  29           H8         A  29   0.651 -11.711  -2.875
  312   1H6     A  29          1H6         A  29  -0.568 -11.118   3.132
  313   2H6     A  29          2H6         A  29  -1.043 -11.902   1.642
  314    H2     A  29           H2         A  29   2.946  -8.491   2.156
  315   1H5*    A  30          1H5*        A  30   7.856 -12.819  -2.803
  316   2H5*    A  30          2H5*        A  30   8.011 -14.474  -2.182
  317    H4*    A  30           H4*        A  30   8.550 -12.474  -0.589
  318    H3*    A  30           H3*        A  30   6.773 -14.852   0.090
  319    H2*    A  30           H2*        A  30   6.514 -13.971   2.246
  320   2HO*    A  30          2HO*        A  30   9.052 -12.934   1.714
  321    H1*    A  30           H1*        A  30   6.733 -11.240   1.538
  322    H8     A  30           H8         A  30   3.972 -12.716  -0.418
  323   1H6     A  30          1H6         A  30   0.467 -12.639   4.651
  324   2H6     A  30          2H6         A  30   0.473 -12.860   2.916
  325    H2     A  30           H2         A  30   4.717 -11.791   5.868
  326   1H5*    G  31          1H5*        G  31  10.266 -14.004   2.517
  327   2H5*    G  31          2H5*        G  31  11.388 -15.378   2.602
  328    H4*    G  31           H4*        G  31  11.569 -14.383   4.729
  329    H3*    G  31           H3*        G  31   9.759 -16.789   4.660
  330    H2*    G  31           H2*        G  31   9.023 -16.461   6.883
  331   2HO*    G  31          2HO*        G  31  11.443 -15.698   7.320
  332    H1*    G  31           H1*        G  31   8.689 -13.777   6.854
  333    H8     G  31           H8         G  31   7.817 -15.182   3.452
  334    H1     G  31           H1         G  31   3.118 -15.822   7.718
  335   1H2     G  31          1H2         G  31   3.861 -15.308   9.742
  336   2H2     G  31          2H2         G  31   5.512 -14.809  10.039
  337   1H5*    G  32          1H5*        G  32  12.381 -17.286   8.460
  338   2H5*    G  32          2H5*        G  32  12.362 -19.041   8.725
  339    H4*    G  32           H4*        G  32  11.290 -17.434  10.514
  340    H3*    G  32           H3*        G  32  10.235 -20.068   9.455
  341    H2*    G  32           H2*        G  32   8.279 -19.852  10.771
  342   2HO*    G  32          2HO*        G  32   9.860 -17.995  12.222
  343    H1*    G  32           H1*        G  32   7.856 -17.167  10.427
  344    H8     G  32           H8         G  32   8.954 -18.657   7.151
  345    H1     G  32           H1         G  32   2.827 -19.851   8.441
  346   1H2     G  32          1H2         G  32   2.367 -19.286  10.536
  347   2H2     G  32          2H2         G  32   3.569 -18.615  11.615
  348   1H5*    U  33          1H5*        U  33   9.828 -21.515  13.451
  349   2H5*    U  33          2H5*        U  33  10.112 -23.246  13.183
  350    H4*    U  33           H4*        U  33   7.660 -22.346  13.593
  351    H3*    U  33           H3*        U  33   8.616 -24.434  11.614
  352    H2*    U  33           H2*        U  33   6.528 -24.528  10.620
  353   2HO*    U  33          2HO*        U  33   5.385 -23.653  13.088
  354    H1*    U  33           H1*        U  33   5.523 -21.994  11.556
  355    H3     U  33           H3         U  33   4.246 -22.873   7.209
  356    H5     U  33           H5         U  33   8.195 -21.410   7.006
  357    H6     U  33           H6         U  33   8.308 -21.566   9.422
  358   1H5*    C  34          1H5*        C  34   5.596 -25.920  14.332
  359   2H5*    C  34          2H5*        C  34   5.937 -27.458  15.150
  360    H4*    C  34           H4*        C  34   3.777 -27.814  14.331
  361    H3*    C  34           H3*        C  34   5.798 -28.761  12.279
  362    H2*    C  34           H2*        C  34   4.058 -29.434  10.874
  363   2HO*    C  34          2HO*        C  34   2.809 -29.916  13.227
  364    H1*    C  34           H1*        C  34   2.288 -27.362  11.509
  365   1H4     C  34          1H4         C  34   4.657 -25.984   5.779
  366   2H4     C  34          2H4         C  34   6.196 -25.548   6.486
  367    H5     C  34           H5         C  34   6.693 -25.794   8.830
  368    H6     C  34           H6         C  34   5.815 -26.510  11.007
  369    H3T    C  34           H3T        C  34   5.777 -30.193  13.879
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  -5.574 -27.662   1.339
    2   2H5*    G   1          2H5*        G   1  -6.715 -26.322   1.577
    3    H4*    G   1           H4*        G   1  -7.318 -27.777   3.298
    4    H3*    G   1           H3*        G   1  -5.447 -25.616   4.199
    5    H2*    G   1           H2*        G   1  -4.978 -26.614   6.280
    6   2HO*    G   1          2HO*        G   1  -6.313 -28.503   6.945
    7    H1*    G   1           H1*        G   1  -4.778 -29.204   5.555
    8    H8     G   1           H8         G   1  -3.449 -27.011   2.764
    9    H1     G   1           H1         G   1   0.763 -27.904   7.465
   10   1H2     G   1          1H2         G   1  -0.221 -28.897   9.186
   11   2H2     G   1          2H2         G   1  -1.914 -29.338   9.174
   12    H5T    G   1           H5T        G   1  -5.134 -25.057   2.151
   13   1H5*    G   2          1H5*        G   2  -6.848 -26.211   7.562
   14   2H5*    G   2          2H5*        G   2  -8.143 -25.069   7.972
   15    H4*    G   2           H4*        G   2  -6.934 -24.868   9.909
   16    H3*    G   2           H3*        G   2  -5.641 -23.010   7.896
   17    H2*    G   2           H2*        G   2  -3.855 -22.590   9.340
   18   2HO*    G   2          2HO*        G   2  -5.630 -23.396  11.428
   19    H1*    G   2           H1*        G   2  -3.855 -25.034  10.758
   20    H8     G   2           H8         G   2  -3.577 -25.072   6.945
   21    H1     G   2           H1         G   2   2.032 -24.579   9.936
   22   1H2     G   2          1H2         G   2   1.710 -24.293  12.110
   23   2H2     G   2          2H2         G   2   0.115 -24.224  12.823
   24   1H5*    C   3          1H5*        C   3  -6.207 -21.373  12.446
   25   2H5*    C   3          2H5*        C   3  -6.531 -19.661  12.108
   26    H4*    C   3           H4*        C   3  -4.780 -20.100  13.898
   27    H3*    C   3           H3*        C   3  -4.304 -18.423  11.423
   28    H2*    C   3           H2*        C   3  -2.057 -18.063  12.028
   29   2HO*    C   3          2HO*        C   3  -2.389 -19.182  14.604
   30    H1*    C   3           H1*        C   3  -1.508 -20.537  13.145
   31   1H4     C   3          1H4         C   3   1.007 -20.623   7.302
   32   2H4     C   3          2H4         C   3  -0.580 -20.820   6.591
   33    H5     C   3           H5         C   3  -2.617 -20.792   7.877
   34    H6     C   3           H6         C   3  -3.573 -20.567  10.124
   35   1H5*    C   4          1H5*        C   4  -2.696 -16.711  14.399
   36   2H5*    C   4          2H5*        C   4  -2.873 -14.980  14.752
   37    H4*    C   4           H4*        C   4  -0.502 -15.564  14.450
   38    H3*    C   4           H3*        C   4  -1.877 -13.752  12.463
   39    H2*    C   4           H2*        C   4  -0.140 -13.874  10.976
   40   2HO*    C   4          2HO*        C   4   1.747 -14.299  13.056
   41    H1*    C   4           H1*        C   4   1.266 -16.132  12.141
   42   1H4     C   4          1H4         C   4   0.735 -17.184   5.886
   43   2H4     C   4          2H4         C   4  -1.010 -17.237   6.008
   44    H5     C   4           H5         C   4  -2.202 -16.819   8.060
   45    H6     C   4           H6         C   4  -1.982 -16.277  10.437
   46   1H5*    U   5          1H5*        U   5   1.998 -12.536  13.622
   47   2H5*    U   5          2H5*        U   5   2.123 -10.854  14.175
   48    H4*    U   5           H4*        U   5   3.954 -11.120  12.705
   49    H3*    U   5           H3*        U   5   1.578  -9.807  11.339
   50    H2*    U   5           H2*        U   5   2.828  -9.663   9.342
   51   2HO*    U   5          2HO*        U   5   4.952  -9.689  11.124
   52    H1*    U   5           H1*        U   5   4.121 -12.093   9.519
   53    H3     U   5           H3         U   5   1.471 -12.743   5.955
   54    H5     U   5           H5         U   5  -1.254 -12.493   9.158
   55    H6     U   5           H6         U   5   0.607 -11.916  10.614
   56   1H5*    U   6          1H5*        U   6   4.664  -8.101  10.326
   57   2H5*    U   6          2H5*        U   6   5.041  -6.384  10.577
   58    H4*    U   6           H4*        U   6   5.451  -6.658   8.286
   59    H3*    U   6           H3*        U   6   2.699  -5.574   8.851
   60    H2*    U   6           H2*        U   6   1.902  -6.149   6.763
   61   2HO*    U   6          2HO*        U   6   4.209  -5.779   5.291
   62    H1*    U   6           H1*        U   6   4.335  -7.597   5.891
   63    H3     U   6           H3         U   6   1.431  -9.857   3.322
   64    H5     U   6           H5         U   6  -0.289 -10.126   7.161
   65    H6     U   6           H6         U   6   1.481  -8.687   7.984
   66   1H5*    A   7          1H5*        A   7   5.856  -4.119   6.475
   67   2H5*    A   7          2H5*        A   7   6.347  -2.428   6.245
   68    H4*    A   7           H4*        A   7   6.893  -3.560   4.208
   69    H3*    A   7           H3*        A   7   4.357  -1.900   4.085
   70    H2*    A   7           H2*        A   7   4.044  -2.516   1.825
   71   2HO*    A   7          2HO*        A   7   6.213  -4.016   1.278
   72    H1*    A   7           H1*        A   7   4.793  -5.151   2.039
   73    H8     A   7           H8         A   7   2.649  -3.553   4.813
   74   1H6     A   7          1H6         A   7  -2.244  -5.455   1.594
   75   2H6     A   7          2H6         A   7  -1.710  -4.681   3.070
   76    H2     A   7           H2         A   7   1.449  -6.433  -0.774
   77   1H5*    G   8          1H5*        G   8   8.177  -0.630  -0.631
   78   2H5*    G   8          2H5*        G   8   9.146  -0.385   0.836
   79    H4*    G   8           H4*        G   8   8.163   1.734  -0.007
   80    H3*    G   8           H3*        G   8   8.055   0.757   2.660
   81    H2*    G   8           H2*        G   8   5.746   0.644   2.918
   82   2HO*    G   8          2HO*        G   8   6.640   3.064   3.485
   83    H1*    G   8           H1*        G   8   5.171   2.699   0.809
   84    H8     G   8           H8         G   8   4.574  -0.987   0.307
   85    H1     G   8           H1         G   8  -0.590   2.090   2.446
   86   1H2     G   8          1H2         G   8  -0.045   4.149   3.058
   87   2H2     G   8          2H2         G   8   1.589   4.765   2.940
   88   1H5*    G   9          1H5*        G   9   9.900   3.328  -0.281
   89   2H5*    G   9          2H5*        G   9   9.319   4.949  -0.708
   90    H4*    G   9           H4*        G   9  10.229   3.446  -2.609
   91    H3*    G   9           H3*        G   9   7.753   5.135  -2.566
   92    H2*    G   9           H2*        G   9   6.857   4.212  -4.541
   93   2HO*    G   9          2HO*        G   9   8.313   2.775  -5.842
   94    H1*    G   9           H1*        G   9   7.525   1.608  -4.229
   95    H8     G   9           H8         G   9   6.588   3.259  -0.924
   96    H1     G   9           H1         G   9   1.589   1.025  -4.191
   97   1H2     G   9          1H2         G   9   2.227   0.387  -6.215
   98   2H2     G   9          2H2         G   9   3.883   0.514  -6.762
   99   1H5*    A  10          1H5*        A  10   8.726   4.387  -6.750
  100   2H5*    A  10          2H5*        A  10   8.933   6.012  -7.439
  101    H4*    A  10           H4*        A  10   7.275   4.587  -8.679
  102    H3*    A  10           H3*        A  10   6.847   7.307  -7.621
  103    H2*    A  10           H2*        A  10   4.633   7.019  -7.045
  104   2HO*    A  10          2HO*        A  10   4.714   7.077  -9.673
  105    H1*    A  10           H1*        A  10   4.347   4.322  -8.302
  106    H8     A  10           H8         A  10   4.940   5.338  -4.650
  107   1H6     A  10          1H6         A  10  -0.985   4.010  -3.661
  108   2H6     A  10          2H6         A  10   0.521   4.498  -2.918
  109    H2     A  10           H2         A  10  -0.172   3.553  -8.062
  110   1H5*    A  11          1H5*        A  11   5.125   5.912 -13.117
  111   2H5*    A  11          2H5*        A  11   4.816   7.625 -12.768
  112    H4*    A  11           H4*        A  11   3.025   6.180 -14.081
  113    H3*    A  11           H3*        A  11   2.565   8.233 -11.889
  114    H2*    A  11           H2*        A  11   0.230   7.851 -12.044
  115   2HO*    A  11          2HO*        A  11   0.104   6.046 -14.072
  116    H1*    A  11           H1*        A  11   0.325   5.119 -12.313
  117    H8     A  11           H8         A  11   2.855   6.275  -9.737
  118   1H6     A  11          1H6         A  11  -1.782   6.529  -5.686
  119   2H6     A  11          2H6         A  11  -0.052   6.637  -5.879
  120    H2     A  11           H2         A  11  -3.525   5.793  -9.758
  121   1H5*    A  12          1H5*        A  12  -0.827   8.261 -14.183
  122   2H5*    A  12          2H5*        A  12  -1.012   9.909 -14.815
  123    H4*    A  12           H4*        A  12  -3.070   9.310 -13.696
  124    H3*    A  12           H3*        A  12  -1.286  11.276 -12.219
  125    H2*    A  12           H2*        A  12  -2.740  11.300 -10.433
  126   2HO*    A  12          2HO*        A  12  -4.689  10.734 -12.402
  127    H1*    A  12           H1*        A  12  -3.919   8.747 -10.776
  128    H8     A  12           H8         A  12  -0.177   8.970 -10.216
  129   1H6     A  12          1H6         A  12  -1.361   8.854  -4.177
  130   2H6     A  12          2H6         A  12  -0.105   8.781  -5.393
  131    H2     A  12           H2         A  12  -5.263   9.290  -6.361
  132   1H5*    C  13          1H5*        C  13  -5.424  13.449 -13.838
  133   2H5*    C  13          2H5*        C  13  -5.332  15.112 -13.220
  134    H4*    C  13           H4*        C  13  -7.358  13.584 -12.541
  135    H3*    C  13           H3*        C  13  -5.722  15.411 -10.749
  136    H2*    C  13           H2*        C  13  -7.085  14.769  -8.896
  137   2HO*    C  13          2HO*        C  13  -9.067  14.799 -10.255
  138    H1*    C  13           H1*        C  13  -7.094  12.108  -9.387
  139   1H4     C  13          1H4         C  13  -2.075  13.158  -5.628
  140   2H4     C  13          2H4         C  13  -1.055  13.214  -7.046
  141    H5     C  13           H5         C  13  -1.920  13.189  -9.290
  142    H6     C  13           H6         C  13  -3.940  13.099 -10.660
  143   1H5*    A  14          1H5*        A  14  -9.542  16.843  -9.665
  144   2H5*    A  14          2H5*        A  14  -9.445  18.614  -9.607
  145    H4*    A  14           H4*        A  14  -9.977  17.638  -7.386
  146    H3*    A  14           H3*        A  14  -7.324  19.077  -7.770
  147    H2*    A  14           H2*        A  14  -6.884  18.748  -5.467
  148   2HO*    A  14          2HO*        A  14  -9.658  18.702  -5.336
  149    H1*    A  14           H1*        A  14  -8.004  16.248  -5.225
  150    H8     A  14           H8         A  14  -5.790  16.331  -8.250
  151   1H6     A  14          1H6         A  14  -0.963  15.669  -4.489
  152   2H6     A  14          2H6         A  14  -1.494  15.662  -6.156
  153    H2     A  14           H2         A  14  -4.591  16.503  -1.969
  154   1H5*    G  15          1H5*        G  15  -9.590  20.326  -4.605
  155   2H5*    G  15          2H5*        G  15 -10.124  22.018  -4.590
  156    H4*    G  15           H4*        G  15  -9.576  21.603  -2.343
  157    H3*    G  15           H3*        G  15  -7.315  22.960  -3.839
  158    H2*    G  15           H2*        G  15  -5.936  22.866  -1.897
  159   2HO*    G  15          2HO*        G  15  -8.276  22.030  -0.470
  160    H1*    G  15           H1*        G  15  -6.494  20.311  -1.168
  161    H8     G  15           H8         G  15  -6.541  20.680  -4.938
  162    H1     G  15           H1         G  15  -0.708  19.755  -2.564
  163   1H2     G  15          1H2         G  15  -0.751  19.915  -0.348
  164   2H2     G  15          2H2         G  15  -2.221  20.252   0.539
  165   1H5*    U  16          1H5*        U  16  -5.671  27.027  -2.558
  166   2H5*    U  16          2H5*        U  16  -5.587  25.448  -3.355
  167    H4*    U  16           H4*        U  16  -4.735  25.920  -0.475
  168    H3*    U  16           H3*        U  16  -3.203  26.182  -3.082
  169    H2*    U  16           H2*        U  16  -1.304  25.176  -2.053
  170   2HO*    U  16          2HO*        U  16  -1.111  24.947   0.155
  171    H1*    U  16           H1*        U  16  -2.618  23.140  -0.837
  172    H3     U  16           H3         U  16  -0.277  22.042  -4.734
  173    H5     U  16           H5         U  16  -4.314  22.614  -5.774
  174    H6     U  16           H6         U  16  -4.690  23.508  -3.576
  175   1H5*    U  17          1H5*        U  17   0.256  28.784  -3.343
  176   2H5*    U  17          2H5*        U  17   0.174  27.161  -2.632
  177    H4*    U  17           H4*        U  17   2.188  29.198  -2.262
  178    H3*    U  17           H3*        U  17   2.234  26.494  -2.371
  179    H2*    U  17           H2*        U  17   0.991  26.033  -0.390
  180   2HO*    U  17          2HO*        U  17   3.721  25.976  -0.052
  181    H1*    U  17           H1*        U  17   2.376  28.118   1.252
  182    H3     U  17           H3         U  17  -0.681  27.420   4.440
  183    H5     U  17           H5         U  17  -2.985  27.332   0.911
  184    H6     U  17           H6         U  17  -0.944  27.631  -0.350
  185   1H5*    C  18          1H5*        C  18   4.609  25.022  -1.648
  186   2H5*    C  18          2H5*        C  18   6.230  24.850  -0.945
  187    H4*    C  18           H4*        C  18   6.756  23.447  -2.621
  188    H3*    C  18           H3*        C  18   7.203  25.926  -3.745
  189    H2*    C  18           H2*        C  18   5.057  26.161  -4.776
  190   2HO*    C  18          2HO*        C  18   6.366  24.537  -6.723
  191    H1*    C  18           H1*        C  18   5.102  23.256  -5.608
  192   1H4     C  18          1H4         C  18  -0.791  25.224  -7.098
  193   2H4     C  18          2H4         C  18  -1.198  25.246  -5.397
  194    H5     C  18           H5         C  18   0.416  24.861  -3.648
  195    H6     C  18           H6         C  18   2.767  24.371  -3.155
  196   1H5*    G  19          1H5*        G  19   7.985  20.297  -4.332
  197   2H5*    G  19          2H5*        G  19   7.019  21.735  -3.943
  198    H4*    G  19           H4*        G  19   9.162  20.638  -2.088
  199    H3*    G  19           H3*        G  19   6.204  19.946  -2.314
  200    H2*    G  19           H2*        G  19   6.138  19.785   0.047
  201   2HO*    G  19          2HO*        G  19   8.912  20.076   0.387
  202    H1*    G  19           H1*        G  19   7.874  21.894   0.582
  203    H8     G  19           H8         G  19   6.074  23.143   1.875
  204    H1     G  19           H1         G  19   1.649  22.340  -2.649
  205   1H2     G  19          1H2         G  19   2.510  21.171  -4.337
  206   2H2     G  19          2H2         G  19   4.160  20.600  -4.338
  207   1H5*    C  20          1H5*        C  20   7.389  17.743   0.351
  208   2H5*    C  20          2H5*        C  20   6.625  16.154   0.551
  209    H4*    C  20           H4*        C  20   6.000  17.825   2.327
  210    H3*    C  20           H3*        C  20   3.978  16.448   0.550
  211    H2*    C  20           H2*        C  20   2.190  17.672   1.526
  212   2HO*    C  20          2HO*        C  20   2.434  18.837   3.437
  213    H1*    C  20           H1*        C  20   3.325  20.112   1.499
  214   1H4     C  20          1H4         C  20   0.464  19.180  -4.155
  215   2H4     C  20          2H4         C  20   2.006  18.678  -4.814
  216    H5     C  20           H5         C  20   3.975  18.371  -3.482
  217    H6     C  20           H6         C  20   4.918  18.503  -1.228
  218   1H5*    U  21          1H5*        U  21   2.354  16.651   3.765
  219   2H5*    U  21          2H5*        U  21   2.384  15.318   4.935
  220    H4*    U  21           H4*        U  21   0.215  16.026   5.241
  221    H3*    U  21           H3*        U  21   0.242  14.004   2.990
  222    H2*    U  21           H2*        U  21  -2.079  14.359   2.599
  223   2HO*    U  21          2HO*        U  21  -2.033  15.739   5.103
  224    H1*    U  21           H1*        U  21  -2.079  17.064   2.753
  225    H3     U  21           H3         U  21  -2.391  16.208  -1.678
  226    H5     U  21           H5         U  21   1.668  15.507  -0.786
  227    H6     U  21           H6         U  21   1.125  15.781   1.567
  228   1H5*    G  22          1H5*        G  22  -2.897  13.567   4.863
  229   2H5*    G  22          2H5*        G  22  -3.552  11.986   5.331
  230    H4*    G  22           H4*        G  22  -5.137  13.054   3.847
  231    H3*    G  22           H3*        G  22  -3.539  10.778   2.614
  232    H2*    G  22           H2*        G  22  -4.755  11.062   0.628
  233   2HO*    G  22          2HO*        G  22  -6.693  12.688   1.910
  234    H1*    G  22           H1*        G  22  -5.203  13.823   0.843
  235    H8     G  22           H8         G  22  -1.578  12.888   1.080
  236    H1     G  22           H1         G  22  -3.688  12.917  -4.931
  237   1H2     G  22          1H2         G  22  -5.898  13.093  -4.963
  238   2H2     G  22          2H2         G  22  -6.851  13.204  -3.500
  239   1H5*    U  23          1H5*        U  23  -7.299  10.856   2.194
  240   2H5*    U  23          2H5*        U  23  -8.443   9.724   2.945
  241    H4*    U  23           H4*        U  23  -9.513  10.074   0.931
  242    H3*    U  23           H3*        U  23  -7.530   7.806   0.506
  243    H2*    U  23           H2*        U  23  -8.352   7.637  -1.746
  244   2HO*    U  23          2HO*        U  23 -10.568   8.661  -0.669
  245    H1*    U  23           H1*        U  23  -8.190  10.298  -2.275
  246    H3     U  23           H3         U  23  -4.432   8.715  -4.269
  247    H5     U  23           H5         U  23  -3.498   8.702  -0.157
  248    H6     U  23           H6         U  23  -5.804   9.284   0.313
  249   1H5*    G  24          1H5*        G  24 -11.256   5.796  -0.313
  250   2H5*    G  24          2H5*        G  24 -10.925   4.060  -0.469
  251    H4*    G  24           H4*        G  24 -11.128   5.522  -2.628
  252    H3*    G  24           H3*        G  24  -8.866   3.550  -2.074
  253    H2*    G  24           H2*        G  24  -8.133   3.970  -4.291
  254   2HO*    G  24          2HO*        G  24  -9.483   4.543  -5.877
  255    H1*    G  24           H1*        G  24  -8.831   6.693  -4.309
  256    H8     G  24           H8         G  24  -6.843   6.172  -1.235
  257    H1     G  24           H1         G  24  -3.212   5.961  -6.451
  258   1H2     G  24          1H2         G  24  -4.472   5.779  -8.260
  259   2H2     G  24          2H2         G  24  -6.218   5.707  -8.178
  260   1H5*    C  25          1H5*        C  25  -9.871   2.322  -6.081
  261   2H5*    C  25          2H5*        C  25  -9.397   0.615  -6.028
  262    H4*    C  25           H4*        C  25  -7.991   2.343  -7.442
  263    H3*    C  25           H3*        C  25  -7.083   0.017  -5.746
  264    H2*    C  25           H2*        C  25  -4.920   0.795  -5.633
  265   2HO*    C  25          2HO*        C  25  -4.200   0.419  -7.611
  266    H1*    C  25           H1*        C  25  -5.413   3.415  -6.882
  267   1H4     C  25          1H4         C  25  -1.423   4.361  -2.011
  268   2H4     C  25          2H4         C  25  -2.755   4.205  -0.888
  269    H5     C  25           H5         C  25  -4.984   3.573  -1.571
  270    H6     C  25           H6         C  25  -6.401   2.952  -3.476
  271   1H5*    C  26          1H5*        C  26  -5.338  -0.466  -9.581
  272   2H5*    C  26          2H5*        C  26  -5.486  -2.058 -10.353
  273    H4*    C  26           H4*        C  26  -3.150  -1.642 -10.239
  274    H3*    C  26           H3*        C  26  -4.243  -3.575  -8.232
  275    H2*    C  26           H2*        C  26  -2.554  -3.177  -6.706
  276   2HO*    C  26          2HO*        C  26  -1.034  -4.457  -7.461
  277    H1*    C  26           H1*        C  26  -1.094  -1.282  -8.507
  278   1H4     C  26          1H4         C  26   0.462   1.032  -2.807
  279   2H4     C  26          2H4         C  26  -1.156   0.776  -2.196
  280    H5     C  26           H5         C  26  -2.918  -0.206  -3.506
  281    H6     C  26           H6         C  26  -3.509  -1.162  -5.683
  282   1H5*    G  27          1H5*        G  27  -2.771  -5.328  -7.679
  283   2H5*    G  27          2H5*        G  27  -2.887  -7.046  -8.113
  284    H4*    G  27           H4*        G  27  -3.702  -7.212  -5.987
  285    H3*    G  27           H3*        G  27  -5.928  -6.659  -7.855
  286    H2*    G  27           H2*        G  27  -7.136  -5.320  -6.422
  287   2HO*    G  27          2HO*        G  27  -6.802  -7.648  -4.844
  288    H1*    G  27           H1*        G  27  -5.360  -5.705  -4.059
  289    H8     G  27           H8         G  27  -4.860  -2.738  -6.314
  290    H1     G  27           H1         G  27  -9.054  -1.591  -1.643
  291   1H2     G  27          1H2         G  27  -9.589  -3.487  -0.623
  292   2H2     G  27          2H2         G  27  -8.914  -5.031  -1.093
  293   1H5*    A  28          1H5*        A  28  -2.285  -9.165  -9.015
  294   2H5*    A  28          2H5*        A  28  -3.232 -10.620  -8.661
  295    H4*    A  28           H4*        A  28  -1.236  -9.884  -7.078
  296    H3*    A  28           H3*        A  28  -3.967 -10.929  -6.224
  297    H2*    A  28           H2*        A  28  -3.243 -10.788  -3.993
  298   2HO*    A  28          2HO*        A  28  -0.536 -10.373  -4.529
  299    H1*    A  28           H1*        A  28  -1.441  -8.613  -4.372
  300    H8     A  28           H8         A  28  -5.265  -8.871  -5.009
  301   1H6     A  28          1H6         A  28  -5.875  -5.810   0.306
  302   2H6     A  28          2H6         A  28  -6.732  -6.533  -1.036
  303    H2     A  28           H2         A  28  -1.492  -6.447  -0.443
  304   1H5*    A  29          1H5*        A  29   0.252 -13.012  -6.792
  305   2H5*    A  29          2H5*        A  29   0.746 -14.417  -5.825
  306    H4*    A  29           H4*        A  29   2.427 -12.418  -6.215
  307    H3*    A  29           H3*        A  29   1.907 -14.056  -3.730
  308    H2*    A  29           H2*        A  29   3.357 -12.692  -2.436
  309   2HO*    A  29          2HO*        A  29   5.118 -12.112  -3.481
  310    H1*    A  29           H1*        A  29   2.517 -10.285  -3.299
  311    H8     A  29           H8         A  29  -0.398 -12.716  -3.316
  312   1H6     A  29          1H6         A  29  -1.094 -11.510   2.682
  313   2H6     A  29          2H6         A  29  -1.786 -12.312   1.289
  314    H2     A  29           H2         A  29   2.714  -9.561   1.301
  315   1H5*    A  30          1H5*        A  30   6.411 -14.345  -3.651
  316   2H5*    A  30          2H5*        A  30   6.618 -16.027  -3.127
  317    H4*    A  30           H4*        A  30   7.515 -14.193  -1.556
  318    H3*    A  30           H3*        A  30   5.617 -16.409  -0.697
  319    H2*    A  30           H2*        A  30   5.630 -15.557   1.476
  320   2HO*    A  30          2HO*        A  30   8.212 -14.689   0.738
  321    H1*    A  30           H1*        A  30   6.192 -12.842   0.805
  322    H8     A  30           H8         A  30   3.007 -14.006  -0.741
  323   1H6     A  30          1H6         A  30   0.240 -13.104   4.690
  324   2H6     A  30          2H6         A  30  -0.011 -13.439   2.991
  325    H2     A  30           H2         A  30   4.685 -12.776   5.311
  326   1H5*    G  31          1H5*        G  31   9.540 -15.986   1.180
  327   2H5*    G  31          2H5*        G  31  10.481 -17.488   1.296
  328    H4*    G  31           H4*        G  31  10.934 -16.319   3.313
  329    H3*    G  31           H3*        G  31   8.937 -18.568   3.571
  330    H2*    G  31           H2*        G  31   8.486 -18.044   5.829
  331   2HO*    G  31          2HO*        G  31  10.509 -16.080   5.981
  332    H1*    G  31           H1*        G  31   8.440 -15.327   5.651
  333    H8     G  31           H8         G  31   6.899 -16.927   2.568
  334    H1     G  31           H1         G  31   2.892 -16.530   7.515
  335   1H2     G  31          1H2         G  31   3.995 -15.915   9.336
  336   2H2     G  31          2H2         G  31   5.717 -15.605   9.330
  337   1H5*    G  32          1H5*        G  32  11.208 -18.734   6.808
  338   2H5*    G  32          2H5*        G  32  12.245 -20.162   7.003
  339    H4*    G  32           H4*        G  32  11.220 -19.945   9.109
  340    H3*    G  32           H3*        G  32   9.794 -21.957   7.351
  341    H2*    G  32           H2*        G  32   8.124 -22.260   8.947
  342   2HO*    G  32          2HO*        G  32   9.723 -20.952  10.908
  343    H1*    G  32           H1*        G  32   8.001 -19.712   9.995
  344    H8     G  32           H8         G  32   7.978 -20.389   6.195
  345    H1     G  32           H1         G  32   2.196 -20.125   8.866
  346   1H2     G  32          1H2         G  32   2.385 -19.903  11.064
  347   2H2     G  32          2H2         G  32   3.936 -19.815  11.870
  348   1H5*    U  33          1H5*        U  33  10.490 -23.157  11.623
  349   2H5*    U  33          2H5*        U  33  10.765 -24.909  11.722
  350    H4*    U  33           H4*        U  33   8.978 -24.045  13.279
  351    H3*    U  33           H3*        U  33   8.465 -26.177  11.187
  352    H2*    U  33           H2*        U  33   6.194 -26.306  11.837
  353   2HO*    U  33          2HO*        U  33   7.113 -24.976  14.170
  354    H1*    U  33           H1*        U  33   5.704 -23.652  12.123
  355    H3     U  33           H3         U  33   3.533 -24.832   8.331
  356    H5     U  33           H5         U  33   7.587 -24.670   7.186
  357    H6     U  33           H6         U  33   8.166 -24.319   9.516
  358   1H5*    C  34          1H5*        C  34   6.051 -27.288  14.043
  359   2H5*    C  34          2H5*        C  34   6.730 -28.694  14.888
  360    H4*    C  34           H4*        C  34   4.616 -29.518  14.565
  361    H3*    C  34           H3*        C  34   6.079 -29.993  11.954
  362    H2*    C  34           H2*        C  34   4.137 -30.889  11.017
  363   2HO*    C  34          2HO*        C  34   3.409 -31.324  13.718
  364    H1*    C  34           H1*        C  34   2.316 -29.211  12.323
  365   1H4     C  34          1H4         C  34   2.602 -26.977   6.392
  366   2H4     C  34          2H4         C  34   4.298 -26.580   6.568
  367    H5     C  34           H5         C  34   5.567 -27.066   8.555
  368    H6     C  34           H6         C  34   5.488 -28.035  10.803
  369    H3T    C  34           H3T        C  34   5.201 -32.178  13.174