*HEADER    RNA                                     16-DEC-05   2FEY              
*TITLE     THE STRUCTURE OF STEM LOOP IV OF TETRAHYMENA TELOMERASE RNA           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STEM-LOOP IV OF TETRAHYMENA TELOMERASE RNA;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE NATURALLY OCCURS IN THE STEM-           
*SOURCE   4 LOOP IV OF TETRAHYMENA TELOMERASE RNA. IT WAS SYNTHESIZED            
*SOURCE   5 BY T7 RNA POLYMERASE IN VITRO TRANSCRIPTION FROM DNA                 
*SOURCE   6 OLIGONUCLEOTIDE TEMPLATE.                                            
*KEYWDS    TELOMERASE RNA, TETRAHYMENA, STEM-LOOP IV, NMR STRUCTURE,             
*KEYWDS   2 HEPTALOOP                                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.CHEN, J.FENDER, J.D.LEGASSIE, M.B.JARSTFER, T.M.BRYAN,              
*AUTHOR   2 G.VARANI                                                             
*REVDAT   1   27-JUN-06 2FEY    0                                                


assign (residue 14 and name H4') (residue 13 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 13 and name H1') (residue 13 and name H2) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 13 and name H1') (residue 14 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 13 and name H2) (residue 33 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 13 and name H2'') (residue 14 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 34 and name H5') (residue 34 and name H6) 4.3 1.3 2.7
 {inter ol} 
assign (residue 13 and name H3') (residue 14 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 13 and name H3') (residue 14 and name H6) 3.2 1.0 1.0
 {inter ol} 
assign (residue 13 and name H8) (residue 14 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 14 and name H1') (residue 13 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 14 and name H1') (residue 14 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 14 and name H1') (residue 15 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 14 and name H2'') (residue 14 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 14 and name H3') (residue 14 and name H5) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 14 and name H3') (residue 15 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 14 and name H5) (residue 13 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 14 and name H5) (residue 13 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 14 and name H5) (residue 14 and name H1') 4.3 1.3 2.7
 {intraBR} 
assign (residue 14 and name H5) (residue 15 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 14 and name H5'') (residue 13 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 14 and name H5'') (residue 14 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 14 and name H6) (residue 13 and name H2) 4.3 1.3 2.7
 {inter ol} 
assign (residue 15 and name H1') (residue 16 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 15 and name H1') (residue 32 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 15 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 15 and name H3') (residue 15 and name H5) 4.3 1.3 2.7
 {intraBR,ol,in 3D} 
assign (residue 17 and name H4') (residue 16 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 15 and name H4') (residue 16 and name H6) 4.3 1.3 2.7
 {inter, ol}
assign (residue 16 and name H5') (residue 16 and name H6) 4.3 1.8 1.2
 {inter, ol} 
assign (residue 15 and name H5) (residue 14 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 15 and name H5) (residue 15 and name H1') 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 15 and name H5'') (residue 14 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 16 and name H1') (residue 16 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 16 and name H1') (residue 17 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 16 and name H2'') (residue 32 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 16 and name H4') (residue 16 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 16 and name H4') (residue 17 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 16 and name H5'') (residue 16 and name H5) 4.3 1.3 2.7
 {intraBR, very weak at 100ms} 
assign (residue 17 and name H1') (residue 18 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 17 and name H2'') (residue 18 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 17 and name H2'') (residue 17 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 17 and name H2'') (residue 32 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 17 and name H8) (residue 32 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 18 and name H1') (residue 17 and name H2'') 4.3 1.3 2.7
 {inter} 
assign (residue 18 and name H1') (residue 18 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 18 and name H1') (residue 19 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 18 and name H2'') (residue 19 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 18 and name H3') (residue 19 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 18 and name H3') (residue 19 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 18 and name H4') (residue 18 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 14 and name H6) (residue 15 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 18 and name H8) (residue 19 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 19 and name H1') (residue 18 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 19 and name H1') (residue 19 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 19 and name H1') (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 19 and name H2'') (residue 19 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 19 and name H2'') (residue 19 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 19 and name H2'') (residue 20 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 19 and name H3') (residue 19 and name H5) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 19 and name H4') (residue 19 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 19 and name H5) (residue 18 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 19 and name H5) (residue 18 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 19 and name H5) (residue 19 and name H1') 4.3 1.3 2.7
 {intraBR} 
assign (residue 19 and name H5) (residue 20 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 19 and name H5'') (residue 19 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 19 and name H5'') (residue 19 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 19 and name H6) (residue 20 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 19 and name H6) (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 20 and name H1') (residue 19 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 20 and name H1') (residue 20 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 20 and name H1') (residue 21 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 20 and name H1') (residue 21 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 20 and name H1') (residue 21 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 20 and name H2) (residue 29 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 20 and name H2) (residue 29 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 19 and name H4') (residue 19 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 20 and name H2'') (residue 20 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 20 and name H2'') (residue 21 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 20 and name H2'') (residue 29 and name H2) 4.3 1.3 2.7
 {inter, very sharp H2} 
assign (residue 20 and name H3') (residue 21 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 20 and name H3') (residue 21 and name H6) 4.3 1.8 0.7
 {inter} 
assign (residue 20 and name H4') (residue 21 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 20 and name H8) (residue 29 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 21 and name H1') (residue 21 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 21 and name H1') (residue 22 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H2'') (residue 20 and name H2) 4.3 1.3 2.7
 {inter, very sharp H2} 
assign (residue 21 and name H2'') (residue 21 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 21 and name H3') (residue 21 and name H5) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 21 and name H4') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 21 and name H5) (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 21 and name H5) (residue 20 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 21 and name H5) (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H5) (residue 22 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H4') (residue 21 and name H5) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 21 and name H4') (residue 21 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 21 and name H5'') (residue 20 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H5'') (residue 21 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 21 and name H6) (residue 20 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 21 and name H6) (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H6) (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 21 and name H6) (residue 22 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 22 and name H1') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 22 and name H1') (residue 21 and name H1') 4.3 1.3 2.7
 {inter w} 
assign (residue 22 and name H2'') (residue 22 and name H2) 4.3 1.8 1.2
 {intraBR ol, 3D} 
assign (residue 22 and name H5'') (residue 22 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 25 and name H5'') (residue 25 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 25 and name H5'') (residue 25 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 22 and name H8) (residue 23 and name H6) 4.3 1.8 1.2
 {inter, possible spin diffusion} 
assign (residue 23 and name H1') (residue 22 and name H2) 4.3 1.8 1.2
 {inter ol, also in 3D} 
assign (residue 23 and name H1') (residue 25 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H1') (residue 25 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H4') (residue 22 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H4') (residue 24 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H4') (residue 25 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H4') (residue 25 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H2'') (residue 25 and name H8) 4.3 1.3 2.7
 {inter, ol in 2D, seen in 3D} 
assign (residue 23 and name H5) (residue 22 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 23 and name H5) (residue 22 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 23 and name H5) (residue 22 and name H2) 4.3 1.8 1.2
 {inter ol} 
assign (residue 23 and name H5) (residue 22 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H5) (residue 22 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 23 and name H5) (residue 22 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 23 and name H1') (residue 24 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H5'') (residue 22 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H5'') (residue 22 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H5'') (residue 23 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 23 and name H5'') (residue 24 and name H6) 4.3 1.3 2.7
 {inter, not in 100ms, in 3D} 
assign (residue 23 and name H5'') (residue 25 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 23 and name H5'') (residue 25 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 23 and name H5'') (residue 25 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H6) (residue 22 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H6) (residue 25 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 23 and name H5') (residue 23 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 24 and name H5) (residue 23 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 27 and name H5) (residue 25 and name H2) 4.3 1.8 1.2
 {inter ol} 
assign (residue 24 and name H1') (residue 25 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 24 and name H5') (residue 23 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 24 and name H5') (residue 24 and name H1') 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 24 and name H5') (residue 24 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 24 and name H5') (residue 25 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 24 and name H5') (residue 25 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 24 and name H5'') (residue 22 and name H2) 4.3 1.3 2.7
 {inter ol} 
assign (residue 24 and name H5'') (residue 23 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 24 and name H5'') (residue 24 and name H1') 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 24 and name H5'') (residue 24 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 24 and name H5'') (residue 25 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 24 and name H5'') (residue 25 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 24 and name H6) (residue 23 and name H6) 4.3 1.3 2.7
 {inter ol} 
assign (residue 24 and name H6) (residue 25 and name H8) 4.3 1.3 2.7
 {inter ol} 
assign (residue 25 and name H1') (residue 26 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 25 and name H2) (residue 22 and name H2) 4.3 1.8 1.7
 {inter, very close to diagonal} 
assign (residue 25 and name H2'') (residue 22 and name H2) 4.3 1.3 2.7
 {inter ol} 
assign (residue 25 and name H2'') (residue 24 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 25 and name H2'') (residue 25 and name H2) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 25 and name H2'') (residue 26 and name H5) 4.3 1.8 1.2
 {inter ol} 
assign (residue 25 and name H2'') (residue 26 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 25 and name H2'') (residue 27 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 25 and name H3') (residue 24 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 25 and name H3') (residue 26 and name H5) 4.3 1.8 1.2
 {inter ol} 
assign (residue 25 and name H3') (residue 26 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 26 and name H4') (residue 22 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 26 and name H1') (residue 22 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 26 and name H1') (residue 27 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 15 and name H1') (residue 14 and name H1') 4.3 1.8 1.7
 {inter} 
assign (residue 26 and name H3') (residue 27 and name H5) 4.3 1.3 2.7
 {inter ol} 
assign (residue 21 and name H2'') (residue 22 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 26 and name H4') (residue 26 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 26 and name H5'') (residue 27 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 26 and name H5'') (residue 26 and name H3') 3.2 1.0 1.0
 {inter} 
assign (residue 26 and name H6) (residue 25 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 26 and name H5) (residue 25 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 27 and name H1') (residue 22 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 27 and name H1') (residue 22 and name H2) 4.3 1.8 1.2
 {inter, 15c, 3D as well} 
assign (residue 27 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H1') (residue 25 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 27 and name H1') (residue 25 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H1') (residue 27 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 27 and name H1') (residue 28 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H2'') (residue 27 and name H5) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 27 and name H2'') (residue 28 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H3') (residue 28 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H4') (residue 28 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 27 and name H5) (residue 22 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 27 and name H5'') (residue 28 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 27 and name H6) (residue 28 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 28 and name H1') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 28 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 28 and name H1') (residue 28 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 28 and name H1') (residue 29 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 28 and name H2'') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 28 and name H2'') (residue 28 and name H5) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 28 and name H2'') (residue 29 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 28 and name H5) (residue 27 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 28 and name H5'') (residue 28 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 28 and name H5'') (residue 29 and name H8) 4.3 1.3 2.7
 {inter ol} 
assign (residue 28 and name H6) (residue 29 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 29 and name H1') (residue 29 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 29 and name H1') (residue 29 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 29 and name H1') (residue 30 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H2) (residue 18 and name H2) 4.3 1.3 1.7
 {inter} 
assign (residue 29 and name H2) (residue 20 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H2) (residue 20 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H2'') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 29 and name H2'') (residue 29 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 29 and name H2'') (residue 30 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H2'') (residue 30 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H4') (residue 20 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 29 and name H3') (residue 30 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 29 and name H3') (residue 30 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H5'') (residue 30 and name H6) 4.3 1.3 2.7
 {inter}
assign (residue 26 and name H5') (residue 25 and name H2) 4.3 1.8 1.7
 {inter} 
assign (residue 29 and name H5') (residue 28 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 30 and name H1') (residue 29 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H1') (residue 30 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 30 and name H1') (residue 31 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 30 and name H1') (residue 31 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H2'') (residue 30 and name H5) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 30 and name H2'') (residue 30 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 30 and name H2'') (residue 31 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H2'') (residue 31 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 29 and name H5') (residue 29 and name H1') 4.3 1.8 1.2
 {intraR} 
assign (residue 29 and name H5') (residue 29 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H3') (residue 30 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 30 and name H3') (residue 31 and name H5) 4.3 1.8 1.2
 {inter ol} 
assign (residue 30 and name H5) (residue 29 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 30 and name H5) (residue 29 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 30 and name H5) (residue 29 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H5) (residue 30 and name H1') 4.3 1.8 1.2
 {intraBR} 
assign (residue 30 and name H5) (residue 31 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H5) (residue 31 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 30 and name H5'') (residue 30 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 30 and name H5'') (residue 30 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 30 and name H6) (residue 29 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 30 and name H6) (residue 31 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 31 and name H1') (residue 31 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 31 and name H1') (residue 32 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 31 and name H2'') (residue 31 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 31 and name H5) (residue 30 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 31 and name H5) (residue 32 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 31 and name H5'') (residue 31 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 31 and name H5'') (residue 31 and name H6) 3.2 1.0 1.0
 {intraBR}
assign (residue 31 and name H5'') (residue 32 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 31 and name H6) (residue 30 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 32 and name H1') (residue 32 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 32 and name H1') (residue 33 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 32 and name H2) (residue 33 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 32 and name H2'') (residue 33 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 32 and name H2'') (residue 32 and name H2) 4.3 1.8 1.2
 {intraBR} 
assign (residue 33 and name H2'') (residue 32 and name H2) 4.3 1.3 2.7
 {intraBR} 
assign (residue 32 and name H5'') (residue 31 and name H1') 4.3 1.3 2.7
 {inter ol} 
assign (residue 32 and name H5'') (residue 32 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 32 and name H8) (residue 31 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 32 and name H8) (residue 33 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 33 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 33 and name H1') (residue 33 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 33 and name H1') (residue 34 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 33 and name H2'') (residue 34 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 33 and name H3') (residue 34 and name H5) 4.3 1.8 1.2
 {inter ol} 
assign (residue 33 and name H4') (residue 32 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 31 and name H3') (residue 32 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 33 and name H5'') (residue 32 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 33 and name H5'') (residue 33 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 33 and name H5'') (residue 34 and name H5) 4.3 1.3 2.7
 {inter ol} 
assign (residue 33 and name H5'') (residue 34 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 33 and name H8) (residue 34 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 34 and name H1') (residue 13 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 34 and name H1') (residue 33 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 34 and name H1') (residue 34 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 34 and name H2'') (residue 34 and name H5) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 34 and name H2'') (residue 34 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 34 and name H5) (residue 33 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 34 and name H5) (residue 34 and name H1') 4.3 1.3 2.7
 {intraBR} 
assign (residue 34 and name H5'') (residue 33 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 34 and name H5'') (residue 34 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 34 and name H5'') (residue 34 and name H6) 3.2 1.0 2.8
 {intraBR} 
assign (residue 13 and name H1') (residue 13 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 13 and name H2'') (residue 14 and name H6) 2.6 0.8 0.6
 {inter ol} 
assign (residue 13 and name H3') (residue 13 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 14 and name H1') (residue 13 and name H2) 4.3 1.8 0.7
 {inter} 
assign (residue 14 and name H2'') (residue 14 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 14 and name H2'') (residue 15 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 14 and name H3') (residue 14 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 15 and name H1') (residue 15 and name H6) 3.2 1.0 1.0
 {intraBR,3D} 
assign (residue 15 and name H2'') (residue 15 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 15 and name H3') (residue 16 and name H6) 3.2 1.0 1.8
 {inter ol} 
assign (residue 16 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 16 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 16 and name H2'') (residue 16 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 16 and name H3') (residue 16 and name H6) 3.2 1.0 1.0
 {intraBR}
assign (residue 16 and name H3') (residue 16 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 16 and name H3') (residue 17 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 16 and name H5'') (residue 16 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 17 and name H1') (residue 17 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 17 and name H1') (residue 32 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 17 and name H3') (residue 17 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 17 and name H3') (residue 18 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 17 and name H5'') (residue 17 and name H8) 4.3 1.8 0.7
 {intraBR, M to W} 
assign (residue 18 and name H1') (residue 18 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 18 and name H5'') (residue 18 and name H8) 4.3 1.8 1.2
 {intraBR,ol}
assign (residue 15 and name H5'') (residue 15 and name H6) 3.2 1.0 1.0
 {intraBR,ol} 
assign (residue 19 and name H1') (residue 18 and name H2) 4.3 1.8 1.2
 {inter ol} 
assign (residue 19 and name H3') (residue 19 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 20 and name H1') (residue 20 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 20 and name H1') (residue 29 and name H2) 3.2 1.0 1.0
 {inter} 
assign (residue 20 and name H2'') (residue 20 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 20 and name H2'') (residue 21 and name H6) 2.6 0.8 0.6
 {inter ol} 
assign (residue 20 and name H3') (residue 20 and name H8) 3.2 1.0 1.0
 {intraBR,ol} 
assign (residue 20 and name H4') (residue 20 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 20 and name H5'') (residue 20 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 21 and name H1') (residue 20 and name H2) 3.2 1.0 1.0
 {inter} 
assign (residue 21 and name H2'') (residue 21 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 21 and name H2'') (residue 22 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 21 and name H3') (residue 21 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 21 and name H3') (residue 22 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 21 and name H4') (residue 22 and name H8) 4.3 1.8 1.2
 {inter ol, in 3D} 
assign (residue 22 and name H1') (residue 22 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 22 and name H2'') (residue 22 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 22 and name H3') (residue 22 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 23 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 23 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 23 and name H3') (residue 23 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 22 and name H3') (residue 23 and name H6) 3.2 1.0 1.3
 {intraBR} 
assign (residue 24 and name H2'') (residue 24 and name H5) 4.3 1.8 1.2
 {intraBR,ol, in 3D} 
assign (residue 24 and name H3') (residue 24 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 24 and name H3') (residue 25 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 25 and name H1') (residue 25 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 25 and name H3') (residue 25 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 25 and name H5') (residue 25 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 26 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 26 and name H1') (residue 25 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 26 and name H1') (residue 26 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 26 and name H3') (residue 26 and name H6) 4.3 1.8 0.7
 {intraBR} 
assign (residue 24 and name H4') (residue 25 and name H8) 4.3 1.8 1.2
 {inter ol}
assign (residue 26 and name H4') (residue 25 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 26 and name H5'') (residue 25 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 26 and name H5'') (residue 26 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 23 and name H5') (residue 22 and name H2) 4.3 1.8 1.2
 {inter}
assign (residue 27 and name H2'') (residue 27 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 27 and name H2'') (residue 28 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 27 and name H3') (residue 27 and name H6) 3.2 1.0 1.0
 {intraBR ol}
assign (residue 27 and name H3') (residue 27 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 27 and name H3') (residue 28 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 27 and name H5'') (residue 27 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 28 and name H1') (residue 29 and name H8) 4.3 1.8 0.7
 {inter} 
assign (residue 28 and name H2'') (residue 28 and name H6) 3.2 1.0 1.0
 {intraBR, ol}
assign (residue 28 and name H3') (residue 28 and name H6) 3.2 1.0 1.0
 {intraBR, ol} 
assign (residue 29 and name H1') (residue 20 and name H2) 3.2 1.0 1.0
 {inter} 
assign (residue 29 and name H3') (residue 29 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 29 and name H3') (residue 30 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 29 and name H5'') (residue 29 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 30 and name H1') (residue 29 and name H2) 3.2 1.0 1.0
 {inter} 
assign (residue 30 and name H2'') (residue 31 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 30 and name H3') (residue 30 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 31 and name H1') (residue 18 and name H2) 3.2 1.0 1.0
 {inter ol} 
assign (residue 32 and name H3') (residue 32 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 33 and name H1') (residue 32 and name H2) 3.2 1.0 1.0
 {inter} 
assign (residue 33 and name H2'') (residue 34 and name H1') 3.2 1.0 1.3
 {inter ol} 
assign (residue 33 and name H2'') (residue 34 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 33 and name H3') (residue 33 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 34 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {inter, very sharp}
assign (residue 34 and name H1') (residue 33 and name H2) 4.3 1.8 1.2
 {inter, very sharp} 
assign (residue 34 and name H3') (residue 34 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 16 and name H2'') (residue 17 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 16 and name H6) (residue 17 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 16 and name H5) (residue 15 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 17 and name H2'') (residue 18 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 18 and name H2'') (residue 18 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 18 and name H2'') (residue 19 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 19 and name H2'') (residue 20 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 23 and name H1') (residue 23 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 23 and name H2'') (residue 23 and name H6) 2.6 0.8 0.6
 {intraBR} 
assign (residue 22 and name H3') (residue 22 and name H1') 4.3 1.8 1.2
 {intraR} 
assign (residue 24 and name H2'') (residue 24 and name H6) 2.6 0.8 0.6
 {intraBR} 
assign (residue 25 and name H2'') (residue 25 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 26 and name H2'') (residue 26 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 28 and name H2'') (residue 29 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 29 and name H2'') (residue 30 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 31 and name H2'') (residue 32 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 32 and name H2'') (residue 33 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 21 and name H5'') (residue 22 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 19 and name H5'') (residue 20 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 31 and name H2'') (residue 31 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 31 and name H4') (residue 31 and name H6) 3.2 1.0 1.0
 {intraBR}
assign (residue 17 and name H5') (residue 17 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 33 and name H5') (residue 33 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 23 and name H3') (residue 24 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 23 and name H3') (residue 24 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 26 and name H1') (residue 27 and name H6) 4.3 1.8 1.2
 {inter}
assign (residue 13 and name H2) (residue 34 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 13 and name HN') (residue 34 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 13 and name HN'') (residue 34 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 34 and name H1') (residue 34 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 17 and name H1) (residue 32 and name H8) 4.3 2.7 1.7
 {inter} 
assign (residue 17 and name H1) (residue 18 and name H2) 4.3 2.7 1.7
 {inter} 
assign (residue 17 and name H1) (residue 18 and name HN') 4.3 2.7 1.7
 {inter} 
assign (residue 17 and name H1) (residue 30 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 17 and name HN'') (residue 32 and name H2) 4.3 2.7 1.7
 {inter} 
assign (residue 29 and name H2'') (residue 30 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 18 and name H2) (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name H2'') (residue 17 and name H1) 4.3 2.7 1.7
 {inter} 
assign (residue 19 and name H3) (residue 18 and name HN') 4.3 2.7 1.7
 {inter, ol} 
assign (residue 19 and name H3) (residue 18 and name HN'') 4.3 2.7 1.7
 {inter} 
assign (residue 19 and name H3) (residue 20 and name H2) 4.3 2.7 1.7
 {inter} 
assign (residue 18 and name H2'') (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 19 and name H2'') (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 20 and name H1') (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 20 and name H2) (residue 28 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 20 and name HN'') (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 20 and name HN'') (residue 29 and name HN'') 4.3 2.7 1.7
 {inter} 
assign (residue 20 and name H8) (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 29 and name H2) (residue 19 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 29 and name H2) (residue 30 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 29 and name HN') (residue 19 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 29 and name HN'') (residue 19 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 29 and name HN'') (residue 20 and name H2) 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H1') (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 19 and name H1') (residue 30 and name H3) 4.3 2.7 1.7
 {intraBR} 
assign (residue 30 and name H3) (residue 18 and name HN') 2.6 0.8 0.8
 {inter} 
assign (residue 30 and name H3) (residue 18 and name HN'') 3.2 1.6 1.3
 {inter} 
assign (residue 30 and name H3) (residue 29 and name HN') 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H3) (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H3) (residue 29 and name HN'') 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H3) (residue 31 and name H6) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name HN') (residue 17 and name H1) 2.6 0.8 0.8
 {inter} 
assign (residue 31 and name HN') (residue 30 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name HN'') (residue 17 and name H1) 3.2 1.6 1.3
 {inter} 
assign (residue 31 and name HN'') (residue 30 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name H5) (residue 17 and name H1) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name H6) (residue 17 and name H1) 4.3 2.7 1.7
 {inter} 
assign (residue 32 and name H2) (residue 17 and name H1) 4.3 2.7 1.7
 {inter} 
assign (residue 32 and name H2'') (residue 17 and name H1) 4.3 2.7 1.7
 {inter} 
assign (residue 33 and name H2) (residue 34 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 18 and name H2) (residue 30 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 13 and name H2) (residue 14 and name H3) 4.3 2.7 1.7
 {inter}
assign (residue 17 and name H1) (residue 18 and name HN'') 4.3 2.7 1.7
 {inter} 
assign (residue 17 and name H2'') (residue 17 and name H1) 4.3 2.7 2.7
 {intraBR} 
assign (residue 20 and name HN') (residue 28 and name H3) 2.6 0.8 0.8
 {inter} 
assign (residue 20 and name HN'') (residue 28 and name H3) 3.2 1.6 1.3
 {inter} 
assign (residue 28 and name H3) (residue 19 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 28 and name H3) (residue 29 and name H1') 4.3 2.7 1.7
 {inter} 
assign (residue 28 and name H3) (residue 29 and name H2) 4.3 2.7 1.7
 {inter} 
assign (residue 28 and name H3) (residue 29 and name HN') 4.3 2.7 1.7
 {inter} 
assign (residue 28 and name H3) (residue 29 and name H8) 4.3 2.7 1.7
 {inter} 
assign (residue 29 and name HN'') (residue 28 and name H3) 4.3 2.7 2.7
 {inter, not in 100ms} 
assign (residue 30 and name H3) (residue 18 and name H1') 4.3 2.7 2.7
 {inter} 
assign (residue 30 and name H3) (residue 17 and name HN'') 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H3) (residue 31 and name H1') 4.3 2.7 1.7
 {inter} 
assign (residue 30 and name H3) (residue 31 and name H5) 4.3 2.7 1.7
 {inter} 
assign (residue 32 and name H5'') (residue 17 and name H1) 4.3 2.7 2.7
 {inter} 
assign (residue 34 and name H3) (residue 34 and name H2'') 4.3 2.7 1.7
 {intraBR} 
assign (residue 29 and name HN') (residue 30 and name H3) 4.3 2.7 1.7
 {inter} 
assign (residue 31 and name H1') (residue 30 and name H3) 4.3 2.7 1.7
 {inter}
assign (residue 18 and name H2) (residue 31 and name HN') 4.3 2.7 1.7
 {inter}
assign (residue 20 and name HN'') (residue 29 and name HN') 3.2 1.6 1.3
 {inter}
assign (residue 28 and name H5'') (residue 25 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 24 and name H1') (residue 24 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 23 and name H2'') (residue 24 and name H5) 4.3 1.8 1.2
 {inter, also in 3D}
assign (residue 25 and name H5') (residue 25 and name H1') 4.3 1.3 2.7
 {inter, ol in 2D, in 3D}
assign (residue 24 and name H4') (residue 25 and name H3') 4.3 1.8 1.2
 {inter}
assign (residue 24 and name H4') (residue 25 and name H2'') 4.3 1.8 1.2
 {inter}
assign (residue 27 and name H1') (residue 28 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 23 and name H4') (residue 27 and name H1') 4.3 1.3 2.7
 {inter, very weak at 100ms}
assign (residue 13 and name H2'') (residue 14 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 31 and name H2'') (residue 32 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 27 and name H2'') (residue 22 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 23 and name H6) (residue 22 and name H2'') 2.6 0.8 0.6
 {inter}
assign (residue 23 and name H6) (residue 25 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 23 and name H6) (residue 22 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 24 and name H2'') (residue 25 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 25 and name H4') (residue 25 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 19 and name H2'') (residue 29 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 26 and name H4') (residue 27 and name H5) 4.3 1.8 1.2
 {inter, ol, 3D also}
assign (residue 15 and name H3') (residue 15 and name H6) 3.2 1.0 1.0
 {intraBR}
assign (residue 16 and name H1') (residue 32 and name H2) 4.3 0.3 10.0
 {inter}
assign (residue 16 and name H5') (residue 16 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 28 and name H3') (residue 29 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 25 and name H5'') (residue 24 and name H1') 4.3 1.8 1.7
 {inter}
assign (residue 25 and name H5') (residue 24 and name H1') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 22 and name H5') (residue 22 and name H1') 4.3 1.8 1.2
 {intraR}
assign (residue 15 and name H2'') (residue 15 and name H5) 4.3 1.8 1.2
 {intraBR}
assign (residue 15 and name H1') (residue 16 and name H5) 4.3 1.8 1.2
 {inter, not in 100ms}
assign (residue 17 and name H1') (residue 18 and name H1') 4.3 1.8 1.7
 {inter, not in 100ms}
assign (residue 24 and name H5'') (residue 23 and name H4') 4.3 1.8 1.2
 {inter}
assign (residue 24 and name H5'') (residue 23 and name H3') 4.3 1.8 1.2
 {inter}
assign (residue 24 and name H5') (residue 23 and name H4') 4.3 1.8 1.2
 {inter}
assign (residue 24 and name H5') (residue 23 and name H3') 4.3 1.8 1.2
 {inter}
assign (residue 26 and name H5') (residue 25 and name H2'') 4.3 1.8 1.2
 {inter}
assign (residue 26 and name H5') (residue 25 and name H3') 4.3 1.8 1.2
 {inter}
assign (residue 26 and name H5') (residue 26 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 26 and name H5') (residue 25 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 16 and name H3') (residue 17 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 15 and name H2'') (residue 16 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 16 and name H2'') (residue 16 and name H5) 4.3 1.8 1.2
 {intraBR}
assign (residue 23 and name H1') (residue 24 and name H6) 4.3 1.3 2.7
 {inter, also in 15c}
assign (residue 18 and name H3') (residue 19 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 20 and name H5'') (residue 19 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 30 and name H2'') (residue 29 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 15 and name H1') (residue 17 and name H8) 4.3 1.3 2.7
 {inter, 15c, in 3D}
assign (residue 16 and name H5) (residue 17 and name H8) 4.3 1.3 2.7
 {inter, 15c, not in 3D and 100ms}
assign (residue 26 and name H1') (residue 27 and name H5) 4.3 1.8 1.2
 {inter, 15c}
assign (residue 22 and name H2) (residue 26 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 27 and name H6) (residue 26 and name H4') 3.2 1.0 1.0
 {inter, 3D}
assign (residue 23 and name H5) (residue 25 and name H2) 4.0 0.0 6.0
 {inter}
assign (residue 23 and name H5) (residue 25 and name H2) 4.0 0.0 6.0
 {inter}
assign (residue 29 and name H1') (residue 30 and name H5'') 4.3 1.3 2.7
 {inter, very weak in 100ms}
{The following are from 3D NOESY-HSQC}
assign (residue 13 and name H2) (residue 34 and name H2'') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 14 and name H3') (residue 15 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 18 and name H2) (residue 30 and name H2'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H2) (residue 23 and name H5') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 26 and name H6) (residue 27 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 27 and name H6) (residue 26 and name H3') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 27 and name H5'') (residue 28 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 29 and name H2'') (residue 29 and name H8) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 31 and name H3') (residue 31 and name H6) 3.2 1.0 1.0
 {inter, 3D}
assign (residue 32 and name H2'') (residue 32 and name H8) 3.2 1.0 1.0
 {inter, 3D}
assign (residue 16 and name H5) (residue 33 and name H2) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 33 and name H2'') (residue 33 and name H8) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 14 and name H2'') (residue 15 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 14 and name H4') (residue 15 and name H5) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 15 and name H3') (residue 16 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 26 and name H2'') (residue 26 and name H5) 4.3 1.8 1.2
 {intraBR, 3D}
assign (residue 25 and name H2) (residue 22 and name H1') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 22 and name H1') (residue 23 and name H5') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 23 and name H4') (residue 25 and name H8) 4.3 1.8 0.7
 {inter, 3D}
assign (residue 23 and name H2'') (residue 24 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 22 and name H2) (residue 25 and name H1') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 18 and name H2'') (residue 19 and name H1') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 21 and name H2'') (residue 22 and name H5'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 22 and name H3') (residue 23 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 22 and name H4') (residue 23 and name H6) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 24 and name H2'') (residue 25 and name H2'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 24 and name H3') (residue 23 and name H4') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 24 and name H3') (residue 25 and name H5'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H4') (residue 24 and name H5'') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 26 and name H4') (residue 27 and name H1') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 27 and name H4') (residue 28 and name H5) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 28 and name H4') (residue 29 and name H8) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 29 and name H4') (residue 30 and name H5) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 29 and name H4') (residue 30 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 30 and name H3') (residue 31 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 31 and name H4') (residue 32 and name H8) 4.3 1.8 1.7
 {inter, 3D}
assign (residue 32 and name H4') (residue 33 and name H8) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 33 and name H4') (residue 34 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H1') (residue 27 and name H6) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 15 and name H2'') (residue 16 and name H6) 4.3 1.8 1.2
 {inter ol, 3D}
assign (residue 23 and name H3') (residue 25 and name H8) 4.3 1.3 2.7
 {inter, 3D}
assign (residue 26 and name H5'') (residue 25 and name H2) 4.3 1.3 2.7
 {inter, 3D, weaker than H5'}
assign (residue 22 and name H2) (residue 26 and name H5'') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 25 and name H2'') (residue 26 and name H5'') 4.3 1.8 1.7
 {inter, 3D}
assign (residue 25 and name H2'') (residue 26 and name H5') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H3') (residue 26 and name H5') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H3') (residue 26 and name H5'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H2) (residue 23 and name H3') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 23 and name H1') (residue 23 and name H5'') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 23 and name H2'') (residue 23 and name H5) 4.3 1.8 1.2
 {inter, 3D}
assign (residue 25 and name H5'') (residue 24 and name H5'') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 25 and name H5') (residue 24 and name H5'') 4.3 1.3 2.7
 {inter, 3D}
assign (residue 24 and name H5'') (residue 23 and name H4') 4.3 1.8 1.2
 {inter, 3D}
assign (residue 3 and name H2'') (residue 3 and name H1') 2.6 0.8 0.6
 {inter} 
assign (residue 4 and name H2'') (residue 4 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 4 and name H3') (residue 4 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 5 and name H2'') (residue 6 and name H6) 2.6 0.8 0.6
 {inter ol} 
assign (residue 6 and name H2'') (residue 6 and name H6) 2.6 0.8 0.6
 {intraBR ol} 
assign (residue 6 and name H2'') (residue 7 and name H8) 3.2 1.0 1.0
 {inter ol} 
assign (residue 6 and name H5') (residue 6 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 12 and name H2'') (residue 12 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 12 and name H2'') (residue 13 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 12 and name H3') (residue 12 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 34 and name H2'') (residue 35 and name H8) 2.6 0.8 0.6
 {inter} 
assign (residue 39 and name H2'') (residue 39 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 39 and name H2'') (residue 40 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 40 and name H2'') (residue 40 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 40 and name H2'') (residue 41 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 40 and name H2'') (residue 41 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 41 and name H2'') (residue 42 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 41 and name H3') (residue 41 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 41 and name H3') (residue 42 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 42 and name H2'') (residue 43 and name H6) 2.6 0.8 0.6
 {inter} 
assign (residue 1 and name H1') (residue 1 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 1 and name H1') (residue 2 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 1 and name H2'') (residue 1 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 1 and name H2'') (residue 2 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 1 and name H5') (residue 1 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 1 and name H5'') (residue 1 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 2 and name H3') (residue 2 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 6 and name H2'') (residue 6 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 3 and name H1') (residue 2 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 3 and name H3') (residue 3 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 4 and name H4') (residue 4 and name H1') 3.2 1.0 1.0
 {intraR} 
assign (residue 4 and name H2'') (residue 5 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 4 and name H5'') (residue 4 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 5 and name H2'') (residue 5 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 6 and name H3') (residue 6 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 6 and name H3') (residue 7 and name H8) 3.2 1.0 1.0
 {inter ol} 
assign (residue 6 and name H5'') (residue 6 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 7 and name H2'') (residue 8 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 7 and name H3') (residue 7 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 7 and name H4') (residue 7 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 8 and name H2'') (residue 9 and name H6) 3.2 1.0 1.8
 {inter,ol} 
assign (residue 8 and name H3') (residue 8 and name H6) 3.2 1.0 1.8
 {intraBR ol} 
assign (residue 8 and name H4') (residue 9 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 8 and name H6) (residue 8 and name H1') 3.2 1.0 1.0
 {intraBR} 
assign (residue 9 and name H2'') (residue 9 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 9 and name H2'') (residue 10 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 9 and name H3') (residue 9 and name H6) 3.2 1.0 1.8
 {intraBR ol}
assign (residue 9 and name H3') (residue 10 and name H8) 3.2 1.0 1.8
 {intraBR ol, 35c, 3D} 
assign (residue 10 and name H5') (residue 10 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 10 and name H1') (residue 10 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 10 and name H3') (residue 10 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 11 and name H3') (residue 11 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 11 and name H3') (residue 12 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 11 and name H3') (residue 12 and name H6) 4.3 1.8 1.2
 {inter, in 35c} 
assign (residue 12 and name H3') (residue 12 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 12 and name H3') (residue 13 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 12 and name H5'') (residue 12 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 12 and name H2'') (residue 12 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 13 and name H1') (residue 12 and name H2'') 4.3 1.8 1.2
 {inter} 
assign (residue 43 and name H3') (residue 43 and name H1') 4.3 1.8 1.2
 {intraB} 
assign (residue 34 and name H3') (residue 35 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 35 and name H2'') (residue 35 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 35 and name H2'') (residue 36 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 35 and name H3') (residue 35 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 35 and name H3') (residue 36 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 35 and name H5') (residue 35 and name H8) 4.3 1.8 1.2
 {intraBR ol, in 3D} 
assign (residue 35 and name H5'') (residue 35 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 36 and name H1') (residue 36 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 36 and name H2'') (residue 36 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 35 and name H4') (residue 35 and name H1') 3.2 1.0 1.0
 {inter} 
assign (residue 36 and name H3') (residue 36 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 36 and name H5') (residue 36 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 36 and name H5'') (residue 36 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 43 and name H4') (residue 43 and name H1') 3.2 1.0 1.0
 {intraB} 
assign (residue 37 and name H1') (residue 37 and name H8) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 39 and name H1') (residue 40 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 39 and name H5'') (residue 39 and name H8) 3.2 1.0 1.0
 {intraBR} 
assign (residue 40 and name H1') (residue 40 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 40 and name H2'') (residue 40 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 39 and name H2'') (residue 40 and name H5) 3.2 1.0 1.0
 {intraBR} 
assign (residue 40 and name H3') (residue 41 and name H6) 3.2 1.0 1.0
 {inter ol} 
assign (residue 41 and name H1') (residue 4 and name H2) 4.3 1.8 1.2
 {inter ol} 
assign (residue 41 and name H3') (residue 42 and name H6) 3.2 1.0 1.0
 {inter} 
assign (residue 41 and name H2'') (residue 41 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 41 and name H5'') (residue 41 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 42 and name H3') (residue 42 and name H6) 3.2 1.0 1.0
 {intraBR ol} 
assign (residue 1 and name H1') (residue 2 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 1 and name H2'') (residue 2 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 1 and name H3') (residue 1 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 1 and name H4') (residue 1 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 1 and name H5') (residue 2 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 1 and name H5'') (residue 2 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 2 and name H1') (residue 2 and name H2) 4.3 1.3 2.7
 {intraBR} 
assign (residue 2 and name H1') (residue 2 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 2 and name H1') (residue 3 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 2 and name H2'') (residue 2 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 2 and name H2'') (residue 3 and name H8) 3.2 1.0 1.0
 {inter} 
assign (residue 2 and name H3') (residue 1 and name H2'') 4.3 1.3 2.7
 {inter} 
assign (residue 2 and name H3') (residue 3 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 2 and name H5'') (residue 1 and name H2'') 4.3 1.8 1.2
 {inter ol} 
assign (residue 2 and name H5') (residue 2 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 2 and name H4') (residue 1 and name H2'') 4.3 1.3 2.7
 {inter} 
assign (residue 2 and name H5'') (residue 2 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 3 and name H1') (residue 2 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 3 and name H1') (residue 3 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 3 and name H1') (residue 4 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 3 and name H4') (residue 3 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 2 and name H4') (residue 2 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 3 and name H5') (residue 3 and name H8) 4.3 1.3 2.7
 {intraBR} 
assign (residue 3 and name H5'') (residue 3 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 3 and name H8) (residue 2 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 3 and name H8) (residue 2 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 3 and name H8) (residue 4 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 4 and name H1') (residue 4 and name H2) 4.3 1.3 2.7
 {intraBR} 
assign (residue 4 and name H1') (residue 4 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 4 and name H1') (residue 5 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 4 and name H2'') (residue 5 and name H5) 4.3 1.8 1.2
 {inter ol} 
assign (residue 4 and name H3') (residue 5 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 4 and name H3') (residue 5 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 5 and name H1') (residue 4 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 5 and name H1') (residue 5 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 5 and name H1') (residue 5 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 5 and name H1') (residue 6 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 5 and name H2'') (residue 5 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 5 and name H3') (residue 5 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 5 and name H3') (residue 5 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 6 and name H3') (residue 6 and name H1') 4.3 1.8 1.2
 {inter ol} 
assign (residue 5 and name H4') (residue 5 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 5 and name H5') (residue 5 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 5 and name H5) (residue 4 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 5 and name H5) (residue 4 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 5 and name H5'') (residue 5 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 5 and name H5'') (residue 5 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 5 and name H6) (residue 4 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 5 and name H6) (residue 6 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 6 and name H1') (residue 6 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 6 and name H1') (residue 7 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 6 and name H5) (residue 5 and name H5) 4.3 1.3 2.7
 {inter ol, also at 35c}
assign (residue 6 and name H5) (residue 5 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 6 and name H5'') (residue 6 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 6 and name H6) (residue 7 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 7 and name H1') (residue 7 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 7 and name H1') (residue 8 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 7 and name H2) (residue 8 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 7 and name H2) (residue 39 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 7 and name H2'') (residue 8 and name H5) 4.3 1.3 2.7
 {inter} 
assign (residue 7 and name H5'') (residue 7 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 8 and name H1') (residue 9 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 8 and name H2'') (residue 8 and name H6) 3.2 1.0 1.0
 {intraBR} 
assign (residue 8 and name H4') (residue 8 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 8 and name H5) (residue 7 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 8 and name H5'') (residue 7 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 8 and name H5'') (residue 8 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 8 and name H6) (residue 7 and name H8) 4.3 1.3 2.7
 {inter, very weak at 100ms} 
assign (residue 8 and name H6) (residue 9 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 9 and name H1') (residue 9 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 9 and name H1') (residue 10 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 9 and name H4') (residue 9 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 9 and name H5) (residue 8 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 9 and name H5'') (residue 9 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 9 and name H6) (residue 10 and name H8) 4.3 1.3 2.7
 {inter, not in 100ms} 
assign (residue 12 and name H5) (residue 11 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 10 and name H1') (residue 11 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 10 and name H2'') (residue 10 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 10 and name H2'') (residue 11 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 10 and name H3') (residue 11 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 10 and name H4') (residue 11 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 10 and name H5'') (residue 10 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 10 and name H8) (residue 11 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 11 and name H1') (residue 11 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 11 and name H1') (residue 12 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 11 and name H2) (residue 10 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 11 and name H2'') (residue 11 and name H8) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 11 and name H4') (residue 11 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 11 and name H5') (residue 11 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 11 and name H5'') (residue 11 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 11 and name H8) (residue 11 and name H4') 4.3 1.8 1.2
 {intraBR} 
assign (residue 12 and name H1') (residue 11 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 12 and name H1') (residue 12 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 12 and name H1') (residue 12 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 12 and name H1') (residue 13 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 12 and name H1') (residue 13 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 12 and name H2'') (residue 11 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 12 and name H5) (residue 11 and name H8) 4.3 1.8 1.2
 {inter ol} 
assign (residue 12 and name H5') (residue 12 and name H5) 4.3 1.3 2.7
 {intraBR ol} 
assign (residue 12 and name H5') (residue 12 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 12 and name H5'') (residue 12 and name H5) 4.3 1.8 1.2
 {intraBR, not in 3D} 
assign (residue 12 and name H6) (residue 11 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 12 and name H6) (residue 13 and name H8) 4.3 1.8 1.2
 {inter ol, in 3D} 
assign (residue 43 and name H2'') (residue 43 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 2 and name H5'') (residue 2 and name H1') 4.3 1.3 2.7
 {intra} 
assign (residue 34 and name H1') (residue 35 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 34 and name H1') (residue 35 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 34 and name H2'') (residue 35 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 34 and name H5) (residue 35 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 34 and name H6) (residue 35 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 35 and name H1') (residue 13 and name H2) 4.3 1.8 0.7
 {inter} 
assign (residue 35 and name H1') (residue 35 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 35 and name H1') (residue 36 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 35 and name H8) (residue 36 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 36 and name H1') (residue 37 and name H1') 4.3 1.3 2.7
 {inter} 
assign (residue 36 and name H1') (residue 37 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 36 and name H2'') (residue 37 and name H8) 3.2 1.2 1.8
 {inter,ol}
assign (residue 37 and name H2'') (residue 38 and name H6) 4.3 1.8 1.2
 {inter} 
assign (residue 37 and name H3') (residue 37 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 37 and name H3') (residue 38 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 37 and name H4') (residue 37 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 37 and name H8) (residue 36 and name H8) 4.3 1.3 2.7
 {inter} 
assign (residue 38 and name H3') (residue 38 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 38 and name H5'') (residue 38 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 39 and name H1') (residue 39 and name H8) 4.3 1.8 1.2
 {intraBR} 
assign (residue 40 and name H1') (residue 41 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 40 and name H5) (residue 39 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 40 and name H5) (residue 39 and name H8) 4.3 1.8 1.2
 {inter} 
assign (residue 40 and name H5) (residue 40 and name H1') 4.3 1.3 2.7
 {intraBR} 
assign (residue 40 and name H5) (residue 41 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 40 and name H5) (residue 41 and name H6) 4.3 1.3 2.7
 {inter} 
assign (residue 40 and name H5'') (residue 40 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 40 and name H6) (residue 41 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 41 and name H1') (residue 41 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 41 and name H1') (residue 42 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 41 and name H3') (residue 42 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 41 and name H2'') (residue 42 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 42 and name H1') (residue 2 and name H2) 4.3 1.3 2.7
 {inter} 
assign (residue 42 and name H1') (residue 42 and name H6) 4.3 1.8 1.2
 {intraBR ol} 
assign (residue 42 and name H2'') (residue 42 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 42 and name H2'') (residue 43 and name H1') 4.3 1.8 1.2
 {inter} 
assign (residue 42 and name H3') (residue 42 and name H5) 4.3 1.8 1.2
 {intraBR} 
assign (residue 42 and name H4') (residue 42 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 42 and name H5) (residue 41 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 42 and name H5) (residue 43 and name H5) 4.3 1.8 1.2
 {inter} 
assign (residue 42 and name H5') (residue 42 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 42 and name H5'') (residue 42 and name H5) 4.3 1.3 2.7
 {intraBR} 
assign (residue 42 and name H5'') (residue 42 and name H6) 3.2 1.0 1.0
 {intraBR}
assign (residue 42 and name H5'') (residue 43 and name H5) 3.2 1.0 2.2
 {inter} 
assign (residue 43 and name H1') (residue 2 and name H2) 4.3 1.8 1.2
 {inter} 
assign (residue 43 and name H1') (residue 43 and name H6) 4.3 1.8 1.2
 {intraBR} 
assign (residue 43 and name H5) (residue 42 and name H6) 4.3 1.8 1.2
 {inter ol} 
assign (residue 43 and name H6) (residue 42 and name H6) 4.3 1.8 1.2
 {inter ol}
assign (residue 6 and name H4') (residue 6 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 3 and name H2'') (residue 3 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 3 and name H3') (residue 4 and name H8) 3.2 1.0 1.0
 {inter}
assign (residue 43 and name H3') (residue 43 and name H6) 4.3 1.8 1.2
 {intraBR}
assign (residue 7 and name H2'') (residue 7 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 37 and name H3') (residue 38 and name H6) 4.3 1.8 1.2
 {inter}
assign (residue 40 and name H6) (residue 39 and name H8) 4.3 1.8 1.2
 {inter}
assign (residue 5 and name H3') (residue 6 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 6 and name H3') (residue 6 and name H5) 4.3 1.3 2.7
 {intraBR, ol}
assign (residue 9 and name H2'') (residue 10 and name H8) 3.2 1.0 1.0
 {inter}
assign (residue 36 and name H4') (residue 36 and name H8) 4.3 1.8 1.2
 {intraBR}
assign (residue 43 and name H3') (residue 43 and name H1') 4.3 1.8 1.2
 {intraB}
assign (residue 6 and name H4') (residue 7 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 4 and name H5') (residue 4 and name H1') 4.3 1.8 1.2
 {intraR}
assign (residue 6 and name H2'') (residue 7 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 42 and name H3') (residue 43 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 11 and name H1') (residue 12 and name H5') 4.3 1.8 1.7
 {inter, 3D}
assign (residue 8 and name H3') (residue 9 and name H6) 3.2 1.0 1.8
 {inter, ol}
assign (residue 4 and name H2) (residue 4 and name H2'') 4.3 1.8 1.2
 {inter}
assign (residue 11 and name H2) (residue 12 and name H5) 4.3 1.3 2.7
 {inter}
assign (residue 5 and name H5) (residue 4 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 4 and name H1') (residue 5 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 36 and name H1') (residue 35 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 8 and name H5) (residue 9 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 10 and name H1') (residue 11 and name H1') 4.3 1.8 1.2
 {inter}
assign (residue 38 and name H5) (residue 39 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 37 and name H1') (residue 38 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 38 and name H5) (residue 37 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 38 and name H5) (residue 39 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 7 and name H4') (residue 8 and name H5) 4.3 1.8 1.2
 {inter}
assign (residue 7 and name H4') (residue 8 and name H6) 4.3 1.8 1.2
 {inter}
assign (residue 5 and name H3') (residue 6 and name H6) 4.3 1.8 1.2
 {inter}
assign (residue 2 and name H2) (residue 42 and name H3) 2.6 0.8 0.8 
assign (residue 2 and name HN') (residue 43 and name HN'') 2.6 0.8 0.8 
assign (residue 4 and name H2) (residue 40 and name H3) 2.6 0.8 0.8 
assign (residue 4 and name H2) (residue 41 and name HN'') 4.3 2.7 2.2 
assign (residue 5 and name HN') (residue 39 and name H1) 2.6 0.8 0.8 
assign (residue 40 and name H5) (residue 4 and name HN') 4.3 2.7 2.2 
assign (residue 41 and name HN') (residue 3 and name H1) 2.6 0.8 0.8 
assign (residue 41 and name HN'') (residue 3 and name H1) 2.6 0.8 0.8 
assign (residue 41 and name H5) (residue 4 and name HN') 4.3 2.7 2.2 
assign (residue 42 and name H3) (residue 2 and name H2) 2.6 0.8 0.8 
assign (residue 43 and name HN'') (residue 2 and name HN') 2.6 0.8 0.8 
assign (residue 1 and name H1) (residue 2 and name H2) 4.3 2.7 1.7 
assign (residue 2 and name H1') (residue 1 and name H1) 4.3 2.7 2.2 
assign (residue 42 and name H6) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 2 and name HN'') (residue 42 and name H3) 3.2 1.6 1.3 
assign (residue 3 and name HN'') (residue 2 and name H2) 4.3 2.7 2.2 
assign (residue 4 and name H1') (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 5 and name HN'') (residue 39 and name H1) 3.2 1.6 1.3 
assign (residue 4 and name H2) (residue 3 and name H1) 4.3 2.7 1.7 
assign (residue 39 and name HN'') (residue 4 and name HN') 4.3 2.7 2.2 
assign (residue 40 and name H3) (residue 41 and name HN'') 4.3 2.7 2.2 
assign (residue 41 and name HN') (residue 42 and name H6) 4.3 2.7 2.2 
assign (residue 41 and name H5) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 42 and name H1') (residue 3 and name H1) 3.2 1.6 1.3 
assign (residue 42 and name H3) (residue 3 and name H1) 3.2 1.6 1.3 
assign (residue 42 and name H5) (residue 41 and name HN'') 3.2 1.6 1.3 
assign (residue 43 and name HN') (residue 1 and name H1) 3.2 1.6 1.3 
assign (residue 43 and name HN') (residue 42 and name H3) 3.2 1.6 1.3 
assign (residue 43 and name HN'') (residue 1 and name H1) 3.2 1.6 1.3 
assign (residue 43 and name H5) (residue 1 and name H1) 4.3 2.7 2.2 
assign (residue 2 and name HN') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 3 and name HN'') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 2 and name H2) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 41 and name H2'') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 2 and name HN'') (residue 1 and name H1) 4.3 2.7 2.2 
assign (residue 3 and name HN') (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 4 and name HN') (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 4 and name HN'') (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 4 and name H2) (residue 39 and name H1) 4.3 2.7 1.7
assign (residue 34 and name H3) (residue 35 and name H1) 4.3 2.7 2.2 
assign (residue 34 and name H3) (residue 35 and name H8) 4.3 2.7 1.7
assign (residue 40 and name H2'') (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 40 and name H3) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 40 and name H5) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 40 and name H5) (residue 39 and name H1) 4.3 2.7 1.7
assign (residue 40 and name H3) (residue 39 and name H1) 4.3 2.7 1.7
assign (residue 40 and name H1') (residue 39 and name H1) 4.3 2.7 2.2 
assign (residue 41 and name H1') (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 42 and name H1') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 41 and name H2'') (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 41 and name H2'') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 41 and name HN') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 41 and name HN'') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 41 and name H5) (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 41 and name H6) (residue 40 and name H3) 4.3 2.7 2.2 
assign (residue 42 and name H3) (residue 1 and name H1) 4.3 2.7 2.2 
assign (residue 42 and name H3) (residue 41 and name HN'') 4.3 2.7 2.2 
assign (residue 42 and name H3) (residue 43 and name HN'') 4.3 2.7 2.2 
assign (residue 42 and name H5) (residue 3 and name H1) 4.3 2.7 2.2 
assign (residue 42 and name H5) (residue 43 and name HN'') 4.3 2.7 2.2 
assign (residue 43 and name H1') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 43 and name H2'') (residue 1 and name H1) 4.3 2.7 2.2 
assign (residue 43 and name HN'') (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 43 and name H5) (residue 42 and name H3) 4.3 2.7 2.2 
assign (residue 1 and name H5'') (residue 1 and name H1') 4.3 1.8 1.2
 {35c}
assign (residue 2 and name H2) (residue 2 and name H1') 4.3 1.8 1.2
 {35c}
assign (residue 2 and name H2'') (residue 3 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 3 and name H3') (residue 4 and name H8) 3.2 1.0 1.0
 {35c}
assign (residue 4 and name H8) (residue 5 and name H5) 4.3 1.3 2.7
 {35c}
assign (residue 6 and name H5) (residue 5 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 7 and name H2'') (residue 7 and name H8) 4.3 1.8 1.2
 {35c}
assign (residue 7 and name H3') (residue 8 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 8 and name H1') (residue 7 and name H2) 4.3 1.8 1.2
 {35c}
assign (residue 8 and name H1') (residue 8 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 8 and name H5) (residue 7 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 8 and name H5) (residue 9 and name H6) 4.3 1.3 2.7
 {35c}
assign (residue 9 and name H1') (residue 37 and name H2) 4.3 1.8 1.2
 {35c}
assign (residue 9 and name H5') (residue 9 and name H6) 4.3 1.3 2.7
 {35c}
assign (residue 11 and name H2'') (residue 11 and name H1') 3.2 1.0 1.0
 {35c}
assign (residue 11 and name H2'') (residue 12 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 11 and name H2'') (residue 12 and name H6) 3.2 1.0 1.0
 {35c}
assign (residue 12 and name H1') (residue 11 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 12 and name H4') (residue 12 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 12 and name H5) (residue 13 and name H8) 4.3 1.3 2.7
 {35c}
assign (residue 12 and name H5') (residue 12 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 35 and name H1') (residue 34 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 36 and name H1') (residue 11 and name H2) 4.3 1.3 2.7
 {35c, very weak at 200ms}
assign (residue 36 and name H8) (residue 11 and name H2) 4.3 1.3 2.7
 {35c}
assign (residue 37 and name H1') (residue 36 and name H1') 4.3 1.3 2.7
 {35c}
assign (residue 37 and name H1') (residue 37 and name H2) 4.3 1.3 2.7
 {35c}
assign (residue 37 and name H1') (residue 38 and name H6) 4.3 1.3 2.7
 {35c}
assign (residue 37 and name H2) (residue 7 and name H2) 4.3 1.3 2.7
 {35c}
assign (residue 37 and name H2'') (residue 37 and name H8) 4.3 1.8 1.2
 {35c}
assign (residue 37 and name H8) (residue 37 and name H1') 4.3 1.8 1.2
 {35c, ol}
assign (residue 38 and name H1') (residue 37 and name H2) 4.3 1.8 1.2
 {35c}
assign (residue 38 and name H1') (residue 38 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 38 and name H1') (residue 39 and name H8) 4.3 1.8 1.2
 {35c, ol}
assign (residue 38 and name H3') (residue 38 and name H6) 3.2 1.0 1.0
 {35c}
assign (residue 38 and name H4') (residue 38 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 38 and name H5'') (residue 38 and name H6) 4.3 1.8 1.2
 {35c}
assign (residue 41 and name H2'') (residue 41 and name H1') 3.2 1.0 1.0
 {35c}
assign (residue 42 and name H1') (residue 43 and name H5) 4.3 1.3 2.7
 {35c}
assign (residue 42 and name H5) (residue 41 and name H6) 4.3 1.3 2.7
 {35c}
assign (residue 43 and name H1') (residue 43 and name H5) 4.3 1.3 2.7
 {35c}
assign (residue 3 and name H2'') (residue 4 and name H8) 2.6 0.8 0.6
 {from 3D}
assign (residue 5 and name H2'') (residue 6 and name H1') 4.3 1.8 1.2
 {from 3D, ol}
assign (residue 5 and name H2'') (residue 6 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 5 and name H2'') (residue 7 and name H8) 4.3 1.8 1.2
 {from 3D}
assign (residue 5 and name H4') (residue 6 and name H6) 4.3 1.3 2.7
 {from 3D, ol}
assign (residue 7 and name H3') (residue 8 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 8 and name H2'') (residue 9 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 8 and name H3') (residue 9 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 8 and name H5'') (residue 9 and name H5) 4.3 1.3 2.7
 {from 3D}
assign (residue 11 and name H4') (residue 12 and name H6) 4.3 1.8 1.2
 {from 3D}
assign (residue 11 and name H2'') (residue 12 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 37 and name H2'') (residue 38 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 42 and name H3') (residue 43 and name H5) 4.3 1.8 1.2
 {from 3D}
assign (residue 42 and name H3') (residue 43 and name H6) 3.2 1.0 1.0
 {from 3D}
assign (residue 41 and name H5) (residue 40 and name H1') 4.3 1.3 2.7
 {inter}
assign (residue 38 and name H6) (residue 37 and name H8) 4.3 1.3 2.7
 {inter}
assign (residue 39 and name H8) (residue 7 and name H2) 4.3 1.3 2.7
 {inter}
assign (residue 8 and name H5) (residue 8 and name H1') 4.3 1.3 2.7
 {intraBR}
assign (residue 37 and name H1') (residue 38 and name H1') 4.3 1.3 2.7
 {inter}

!  Pucker is defined with ribose torsion angles nu1 and nu2.
!               nu1 = O4'-C1'-C2'-C3'
!               nu2 = C1'-C2'-C3'-C4'
!       "N" C3' endo:
!               nu1 = -20 +/- 10
!               nu2 = +35 +/-  5
!       "S" C2' endo:
!               nu1 = +35 +/-  5
!               nu2 = -35 +/-  5
!       See Saenger page 20.
!
!  C2' endo nucleotides (Judging from TOCSY): only if both H1'-H2'' and
!      H1'-H3' couplings both are strong (intensity of H1'-H3' even larger).
!
!
!       A13 (small H1'-H2'', H1'-H3' coupling)
!
!       U14 (strong H1-H2'', but weak H1'-H3', unrestrained)
!
!       U15 (H1'-H2'' overlap, H1'-H3' quite strong)
!
!       U16 (H1'-H2'' strong, H1'-H3'', H1'-H4' weak, exchange)
!
!       A20 (H1'-H2'' strong, H1'-H3'', H1'-H4' small coupling)
!
!       C21 (H1'-H2'' strong, small H1'-H3', H1'-H4' coupling)
! backbone delta (exchange)
! backbone X (anti)
assign (resid 21 and name O4') (resid 21 and name C1')
       (resid 21 and name N1 ) (resid 21 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 20 and name O3') (resid 21 and name P  )
       (resid 21 and name O5') (resid 21 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 21 and name C3') (resid 21 and name O3')
       (resid 22 and name P  ) (resid 22 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (strong C2'Pi+1 peak, weak C4'Pi+1, gauche-)
assign (resid 21 and name C4') (resid 21 and name C3')
       (resid 21 and name O3') (resid 22 and name P  ) 1.0 260.0 40.0 2
!
!       A22 (H1'-H2'' medium, H1'-H3' small coupling)
! backbone delta (exchange)
! backbone X (anti)
assign (resid 22 and name O4') (resid 22 and name C1')
       (resid 22 and name N9 ) (resid 22 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 21 and name O3') (resid 22 and name P  )
       (resid 22 and name O5') (resid 22 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 22 and name C3') (resid 22 and name O3')
       (resid 23 and name P  ) (resid 23 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 22 and name C4') (resid 22 and name C3')
       (resid 22 and name O3') (resid 23 and name P  ) 1.0 210.0 40.0 2
!
!       C23 (H1'-H2'' strong, H1'-H3' quite strong, possible H1'-H4' overlap)
! backbone X (anti)
assign (resid 23 and name O4') (resid 23 and name C1')
       (resid 23 and name N1 ) (resid 23 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 22 and name O3') (resid 23 and name P  )
       (resid 23 and name O5') (resid 23 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 23 and name C3') (resid 23 and name O3')
       (resid 24 and name P  ) (resid 24 and name O5') 1.0 0.0 140.0 2
!backbone epsilon (no C2'Pi+1 peak, strong C4'Pi+1, exclude gauche+)
assign (resid 23 and name C4') (resid 23 and name C3')
       (resid 23 and name O3') (resid 24 and name P  ) 1.0 235.0 70.0 2
!
!       U24 (strong H1'-H2'', H1'-H3')
assign (resid 24 and name O4')
       (resid 24 and name C1')
       (resid 24 and name C2')
       (resid 24 and name C3') 1.0  35.0  15.0 2
assign (resid 24 and name C1')
       (resid 24 and name C2')
       (resid 24 and name C3')
       (resid 24 and name C4') 1.0 -35.0  15.0 2
!backbone delta (C2'-endo)
assign (resid 24 and name c5') (resid 24 and name c4')
       (resid 24 and name c3') (resid 24 and name o3') 1.0 145.0 30.0 2
!backbone X (anti)
assign (resid 24 and name O4') (resid 24 and name C1')
       (resid 24 and name N1 ) (resid 24 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 23 and name O3') (resid 24 and name P  )
       (resid 24 and name O5') (resid 24 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 24 and name C3') (resid 24 and name O3')
       (resid 25 and name P  ) (resid 25 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, strong C4'Pi+1, exclude gauche+)
assign (resid 24 and name C4') (resid 24 and name C3')
       (resid 24 and name O3') (resid 25 and name P  ) 1.0 235.0 70.0 2
!
!       A25 (H1'-H2'' strong and sharp, H1'-H3'  quite strong, also see H1'-H4')
!backbone X (anti)
assign (resid 25 and name O4') (resid 25 and name C1')
       (resid 25 and name N9 ) (resid 25 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 24 and name O3') (resid 25 and name P  )
       (resid 25 and name O5') (resid 25 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 25 and name C3') (resid 25 and name O3')
       (resid 26 and name P  ) (resid 26 and name O5') 1.0 0.0 120.0 2
!
!       U26 (strong H1'-H2'', H1'-H3', clear H1'-H4')
assign (resid 26 and name O4')
       (resid 26 and name C1')
       (resid 26 and name C2')
       (resid 26 and name C3') 1.0  35.0  25.0 2
assign (resid 26 and name C1')
       (resid 26 and name C2')
       (resid 26 and name C3')
       (resid 26 and name C4') 1.0 -35.0  25.0 2
!backbone delta (C2'-endo, also exchange)
assign (resid 26 and name c5') (resid 26 and name c4')
       (resid 26 and name c3') (resid 26 and name o3') 1.0 145.0 30.0 2
!backbone X (anti)
assign (resid 26 and name O4') (resid 26 and name C1')
       (resid 26 and name N1 ) (resid 26 and name C2 ) 1.0 -160.0 40.0 2
!backbone epsilon (strong C2'Pi+1 peak, strong C4'Pi+1, gauche-)
assign (resid 26 and name C4') (resid 26 and name C3')
       (resid 26 and name O3') (resid 27 and name P  ) 1.0 260.0 40.0 2
!
!       U27 (strong H1'-H2'', weak H1'-H3', H1'-H4')
!backbone X (anti)
assign (resid 27 and name O4') (resid 27 and name C1')
       (resid 27 and name N1 ) (resid 27 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha (exclude trans)
assign (resid 26 and name O3') (resid 27 and name P  )
       (resid 27 and name O5') (resid 27 and name C5') 1.0 0.0 120.0 2
!backbone zeta (exclude trans)
assign (resid 27 and name C3') (resid 27 and name O3')
       (resid 28 and name P  ) (resid 28 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, detect C4'Pi+1, trans)
assign (resid 27 and name C4') (resid 27 and name C3')
       (resid 27 and name O3') (resid 28 and name P  ) 1.0 210.0 40.0 2
!
!       U28 (small coupling H1'-H3')
!
!  C3' endo nucleotides:  ( everybody else )
!
!
!  Torsion angle restraints for the xhi torsion angle in the
!
!  Xhi is defined as follows...
!               Purines     = O4'-C1'-N9-C4
!               Pyrimidines = O4'-C1'-N1-C2
!       Anti:
!               Xhi = 180.0 +/- 90.0
!       including high-anti and excluding high-syn:
!               Xhi = -150.0 +/- 90.0
!       Syn:
!               Xhi =   0.0 +/- 90.0
!       See Saenger page 22.
!
!  If no syn bases:
!     No large H1'-Haro nOes were observed, and large H3'-Haro
!     (or H2'-Haro) were observed for all nucleotides.
!
!  If 31P chemical shifts are within -4 to -5 ppm, common to regular
!     A- and B-forms, then alpha and zeta can be loosely restrained to
!     exclude the trans conformation (0 +/- 120).
!
!
!       A13
assign (resid 13 and name O4') (resid 13 and name C1')
       (resid 13 and name N9 ) (resid 13 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 12 and name O3') (resid 13 and name P  )
       (resid 13 and name O5') (resid 13 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 13 and name C3') (resid 13 and name O3')
       (resid 14 and name P  ) (resid 14 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 13 and name C4') (resid 13 and name C3')
       (resid 13 and name O3') (resid 14 and name P  ) 1.0 210.0 40.0 2
!
!       U14
assign (resid 14 and name O4') (resid 14 and name C1')
       (resid 14 and name N1 ) (resid 14 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 13 and name O3') (resid 14 and name P  )
       (resid 14 and name O5') (resid 14 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 14 and name C3') (resid 14 and name O3')
       (resid 15 and name P  ) (resid 15 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 14 and name C4') (resid 14 and name C3')
       (resid 14 and name O3') (resid 15 and name P  ) 1.0 210.0 40.0 2
!
!       U15 (H1'-H2'' overlap, H1'-H3' quite strong)
assign (resid 15 and name O4') (resid 15 and name C1')
       (resid 15 and name N1 ) (resid 15 and name C2 ) 1.0 -160.0 40.0 2
!backbone epsilon (no C2'Pi+1 peak, exclude gauche+)
assign (resid 15 and name C4') (resid 15 and name C3')
       (resid 15 and name O3') (resid 16 and name P  ) 1.0 235.0 70.0 2
!
!       U16 (H1'-H2'' strong, H1'-H3'', H1'-H4' weak, exchange)
assign (resid 16 and name O4') (resid 16 and name C1')
       (resid 16 and name N1 ) (resid 16 and name C2 ) 1.0 -160.0 40.0 2
!backbone epsilon (no C2'Pi+1 peak, exclude gauche+)
assign (resid 16 and name C4') (resid 16 and name C3')
       (resid 16 and name O3') (resid 17 and name P  ) 1.0 235.0 70.0 2
!
!       G17
assign (resid 17 and name O4')
       (resid 17 and name C1')
       (resid 17 and name C2')
       (resid 17 and name C3') 1.0 -20.0 15.0 2
assign (resid 17 and name C1')
       (resid 17 and name C2')
       (resid 17 and name C3')
       (resid 17 and name C4') 1.0  35.0 15.0 2
assign (resid 17 and name c5') (resid 17 and name c4')
       (resid 17 and name c3') (resid 17 and name o3') 1.0 80.0 25.0 2
assign (resid 17 and name O4') (resid 17 and name C1')
       (resid 17 and name N9 ) (resid 17 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 16 and name O3') (resid 17 and name P  )
       (resid 17 and name O5') (resid 17 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 17 and name C3') (resid 17 and name O3')
       (resid 18 and name P  ) (resid 18 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 17 and name C4') (resid 17 and name C3')
       (resid 17 and name O3') (resid 18 and name P  ) 1.0 210.0 40.0 2
!
!       A18
assign (resid 18 and name O4')
       (resid 18 and name C1')
       (resid 18 and name C2')
       (resid 18 and name C3') 1.0 -20.0 15.0 2
assign (resid 18 and name C1')
       (resid 18 and name C2')
       (resid 18 and name C3')
       (resid 18 and name C4') 1.0  35.0 15.0 2
!backbone delta
assign (resid 18 and name c5') (resid 18 and name c4')
       (resid 18 and name c3') (resid 18 and name o3') 1.0 80.0 25.0 2
!backbone X
assign (resid 18 and name O4') (resid 18 and name C1')
       (resid 18 and name N9 ) (resid 18 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 17 and name O3') (resid 18 and name P  )
       (resid 18 and name O5') (resid 18 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 18 and name P  ) (resid 18 and name O5')
       (resid 18 and name C5') (resid 18 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 18 and name O5') (resid 18 and name C5')
       (resid 18 and name C4') (resid 18 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 18 and name C4') (resid 18 and name C3')
       (resid 18 and name O3') (resid 19 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 18 and name C3') (resid 18 and name O3')
       (resid 19 and name P  ) (resid 19 and name O5') 1.0 0.0 120.0 2
!
!       U19
assign (resid 19 and name O4')
       (resid 19 and name C1')
       (resid 19 and name C2')
       (resid 19 and name C3') 1.0 -20.0 15.0 2
assign (resid 19 and name C1')
       (resid 19 and name C2')
       (resid 19 and name C3')
       (resid 19 and name C4') 1.0  35.0 15.0 2
assign (resid 19 and name c5') (resid 19 and name c4')
       (resid 19 and name c3') (resid 19 and name o3') 1.0 80.0 25.0 2
assign (resid 19 and name O4') (resid 19 and name C1')
       (resid 19 and name N1 ) (resid 19 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 18 and name O3') (resid 19 and name P  )
       (resid 19 and name O5') (resid 19 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 19 and name P  ) (resid 19 and name O5')
       (resid 19 and name C5') (resid 19 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 19 and name O5') (resid 19 and name C5')
       (resid 19 and name C4') (resid 19 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 19 and name C4') (resid 19 and name C3')
       (resid 19 and name O3') (resid 20 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 19 and name C3') (resid 19 and name O3')
       (resid 20 and name P  ) (resid 20 and name O5') 1.0 0.0 120.0 2
!
!       A20 (H1'-H2'' strong, H1'-H3'', H1'-H4' small coupling)
assign (resid 20 and name O4') (resid 20 and name C1')
       (resid 20 and name N9 ) (resid 20 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 19 and name O3') (resid 20 and name P  )
       (resid 20 and name O5') (resid 20 and name C5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 20 and name C4') (resid 20 and name C3')
       (resid 20 and name O3') (resid 21 and name P  ) 1.0 210.0 40.0 2
!
!       C21 to U27 defined above
!
!       U28
assign (resid 28 and name O4') (resid 28 and name C1')
       (resid 28 and name N1 ) (resid 28 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 27 and name O3') (resid 28 and name P  )
       (resid 28 and name O5') (resid 28 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 28 and name C3') (resid 28 and name O3')
       (resid 29 and name P  ) (resid 29 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 28 and name C4') (resid 28 and name C3')
       (resid 28 and name O3') (resid 29 and name P  ) 1.0 210.0 40.0 2
!
!       A29
assign (resid 29 and name O4')
       (resid 29 and name C1')
       (resid 29 and name C2')
       (resid 29 and name C3') 1.0 -20.0 15.0 2
assign (resid 29 and name C1')
       (resid 29 and name C2')
       (resid 29 and name C3')
       (resid 29 and name C4') 1.0  35.0 15.0 2
assign (resid 29 and name c5') (resid 29 and name c4')
       (resid 29 and name c3') (resid 29 and name o3') 1.0 80.0 25.0 2
assign (resid 29 and name O4') (resid 29 and name C1')
       (resid 29 and name N9 ) (resid 29 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 28 and name O3') (resid 29 and name P  )
       (resid 29 and name O5') (resid 29 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 29 and name P  ) (resid 29 and name O5')
       (resid 29 and name C5') (resid 29 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 29 and name O5') (resid 29 and name C5')
       (resid 29 and name C4') (resid 29 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 29 and name C4') (resid 29 and name C3')
       (resid 29 and name O3') (resid 30 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 29 and name C3') (resid 29 and name O3')
       (resid 30 and name P  ) (resid 30 and name O5') 1.0 0.0 120.0 2
!
!       U30
assign (resid 30 and name O4')
       (resid 30 and name C1')
       (resid 30 and name C2')
       (resid 30 and name C3') 1.0 -20.0 15.0 2
assign (resid 30 and name C1')
       (resid 30 and name C2')
       (resid 30 and name C3')
       (resid 30 and name C4') 1.0  35.0 15.0 2
assign (resid 30 and name c5') (resid 30 and name c4')
       (resid 30 and name c3') (resid 30 and name o3') 1.0 80.0 25.0 2
assign (resid 30 and name O4') (resid 30 and name C1')
       (resid 30 and name N1 ) (resid 30 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 29 and name O3') (resid 30 and name P  )
       (resid 30 and name O5') (resid 30 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 30 and name P  ) (resid 30 and name O5')
       (resid 30 and name C5') (resid 30 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 30 and name O5') (resid 30 and name C5')
       (resid 30 and name C4') (resid 30 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 30 and name C4') (resid 30 and name C3')
       (resid 30 and name O3') (resid 31 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 30 and name C3') (resid 30 and name O3')
       (resid 31 and name P  ) (resid 31 and name O5') 1.0 0.0 120.0 2
!
!       C31
assign (resid 31 and name O4')
       (resid 31 and name C1')
       (resid 31 and name C2')
       (resid 31 and name C3') 1.0 -20.0 15.0 2
assign (resid 31 and name C1')
       (resid 31 and name C2')
       (resid 31 and name C3')
       (resid 31 and name C4') 1.0  35.0 15.0 2
assign (resid 31 and name c5') (resid 31 and name c4')
       (resid 31 and name c3') (resid 31 and name o3') 1.0 80.0 25.0 2
assign (resid 31 and name O4') (resid 31 and name C1')
       (resid 31 and name N1 ) (resid 31 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 30 and name O3') (resid 31 and name P  )
       (resid 31 and name O5') (resid 31 and name C5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 31 and name C4') (resid 31 and name C3')
       (resid 31 and name O3') (resid 32 and name P  ) 1.0 210.0 40.0 2
!
!       A32
assign (resid 32 and name O4')
       (resid 32 and name C1')
       (resid 32 and name C2')
       (resid 32 and name C3') 1.0 -20.0 15.0 2
assign (resid 32 and name C1')
       (resid 32 and name C2')
       (resid 32 and name C3')
       (resid 32 and name C4') 1.0  35.0 15.0 2
assign (resid 32 and name c5') (resid 32 and name c4')
       (resid 32 and name c3') (resid 32 and name o3') 1.0 80.0 25.0 2
assign (resid 32 and name O4') (resid 32 and name C1')
       (resid 32 and name N9 ) (resid 32 and name C4 ) 1.0 -160.0 40.0 2
!backbone epsilon (no C2'Pi+1 peak, exclude gauche+)
assign (resid 32 and name C4') (resid 32 and name C3')
       (resid 32 and name O3') (resid 33 and name P  ) 1.0 235.0 70.0 2
!
!       A33
assign (resid 33 and name O4')
       (resid 33 and name C1')
       (resid 33 and name C2')
       (resid 33 and name C3') 1.0 -20.0 15.0 2
assign (resid 33 and name C1')
       (resid 33 and name C2')
       (resid 33 and name C3')
       (resid 33 and name C4') 1.0  35.0 15.0 2
assign (resid 33 and name c5') (resid 33 and name c4')
       (resid 33 and name c3') (resid 33 and name o3') 1.0 80.0 25.0 2
assign (resid 33 and name O4') (resid 33 and name C1')
       (resid 33 and name N9 ) (resid 33 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 32 and name O3') (resid 33 and name P  )
       (resid 33 and name O5') (resid 33 and name C5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 33 and name C4') (resid 33 and name C3')
       (resid 33 and name O3') (resid 34 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 33 and name C3') (resid 33 and name O3')
       (resid 34 and name P  ) (resid 34 and name O5') 1.0 0.0 120.0 2
!
!       U34
assign (resid 34 and name O4')
       (resid 34 and name C1')
       (resid 34 and name C2')
       (resid 34 and name C3') 1.0 -20.0 15.0 2
assign (resid 34 and name C1')
       (resid 34 and name C2')
       (resid 34 and name C3')
       (resid 34 and name C4') 1.0  35.0 15.0 2
assign (resid 34 and name c5') (resid 34 and name c4')
       (resid 34 and name c3') (resid 34 and name o3') 1.0 80.0 25.0 2
assign (resid 34 and name O4') (resid 34 and name C1')
       (resid 34 and name N1 ) (resid 34 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 33 and name O3') (resid 34 and name P  )
       (resid 34 and name O5') (resid 34 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 34 and name P  ) (resid 34 and name O5')
       (resid 34 and name C5') (resid 34 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 34 and name O5') (resid 34 and name C5')
       (resid 34 and name C4') (resid 34 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 34 and name C4') (resid 34 and name C3')
       (resid 34 and name O3') (resid 35 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 34 and name C3') (resid 34 and name O3')
       (resid 35 and name P  ) (resid 35 and name O5') 1.0 0.0 120.0 2
!
!  Pucker is defined with ribose torsion angles nu1 and nu2.
!               nu1 = O4'-C1'-C2'-C3'
!               nu2 = C1'-C2'-C3'-C4'
!       "N" C3' endo:
!               nu1 = -20 +/- 10
!               nu2 = +35 +/-  5
!       "S" C2' endo:
!               nu1 = +35 +/-  5
!               nu2 = -35 +/-  5
!       See Saenger page 20.
!
!  C2' endo nucleotides:
!
!
!       G1 (H1'-H2'' strong coupling, fast exchange)
!
!       U8 (H1'-H2'' strong coupling, weak H1'-H3')
!      
!       U6, C9 (H1'-H2'' coupling, weak and broad, un-restrained)
!
!       A11 (H1'-H2'' coupling, weak but clear)
!
!       G36 (H1'-H2'' coupling, medium)
!
!       A37 (H1'-H2'' coupling strong, weak H1'-H3')
!
!       C43 (H1'-H2'' coupling strong, fast exchange)
!
!  C3' endo nucleotides:  ( everybody else )
!
!  Torsion angle restraints for the xhi torsion angle in the
!
!  Xhi is defined as follows...
!               Purines     = O4'-C1'-N9-C4
!               Pyrimidines = O4'-C1'-N1-C2
!       Anti:
!               Xhi = 180.0 +/- 90.0
!       including high-anti and excluding high-syn:
!               Xhi = -150.0 +/- 90.0
!       Syn:
!               Xhi =   0.0 +/- 90.0
!       See Saenger page 22.
!
!  If no syn bases:
!     No large H1'-Haro nOes were observed, and large H3'-Haro
!     (or H2'-Haro) were observed for all nucleotides.
!
!
!       A2
assign (resid 2 and name O4')
       (resid 2 and name C1')
       (resid 2 and name C2')
       (resid 2 and name C3') 1.0 -20.0 15.0 2
assign (resid 2 and name C1')
       (resid 2 and name C2')
       (resid 2 and name C3')
       (resid 2 and name C4') 1.0  35.0 15.0 2
assign (resid 2 and name c5') (resid 2 and name c4')
       (resid 2 and name c3') (resid 2 and name o3') 1.0 80.0 25.0 2
assign (resid 2 and name O4') (resid 2 and name C1')
       (resid 2 and name N9 ) (resid 2 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 1 and name O3') (resid 2 and name P  )
       (resid 2 and name O5') (resid 2 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 2 and name P  ) (resid 2 and name O5')
       (resid 2 and name C5') (resid 2 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 2 and name O5') (resid 2 and name C5')
       (resid 2 and name C4') (resid 2 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 2 and name C4') (resid 2 and name C3')
       (resid 2 and name O3') (resid 3 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 2 and name C3') (resid 2 and name O3')
       (resid 3 and name P  ) (resid 3 and name O5') 1.0 0.0 120.0 2
!
!       G3
assign (resid 3 and name O4')
       (resid 3 and name C1')
       (resid 3 and name C2')
       (resid 3 and name C3') 1.0 -20.0 15.0 2
assign (resid 3 and name C1')
       (resid 3 and name C2')
       (resid 3 and name C3')
       (resid 3 and name C4') 1.0  35.0 15.0 2
assign (resid 3 and name c5') (resid 3 and name c4')
       (resid 3 and name c3') (resid 3 and name o3') 1.0 80.0 25.0 2
assign (resid 3 and name O4') (resid 3 and name C1')
       (resid 3 and name N9 ) (resid 3 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 2 and name O3') (resid 3 and name P  )
       (resid 3 and name O5') (resid 3 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 3 and name P  ) (resid 3 and name O5')
       (resid 3 and name C5') (resid 3 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 3 and name O5') (resid 3 and name C5')
       (resid 3 and name C4') (resid 3 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 3 and name C4') (resid 3 and name C3')
       (resid 3 and name O3') (resid 4 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 3 and name C3') (resid 3 and name O3')
       (resid 4 and name P  ) (resid 4 and name O5') 1.0 0.0 120.0 2
!
!       A4
assign (resid 4 and name O4')
       (resid 4 and name C1')
       (resid 4 and name C2')
       (resid 4 and name C3') 1.0 -20.0 15.0 2
assign (resid 4 and name C1')
       (resid 4 and name C2')
       (resid 4 and name C3')
       (resid 4 and name C4') 1.0  35.0 15.0 2
assign (resid 4 and name c5') (resid 4 and name c4')
       (resid 4 and name c3') (resid 4 and name o3') 1.0 80.0 25.0 2
assign (resid 4 and name O4') (resid 4 and name C1')
       (resid 4 and name N9 ) (resid 4 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 3 and name O3') (resid 4 and name P  )
       (resid 4 and name O5') (resid 4 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 4 and name P  ) (resid 4 and name O5')
       (resid 4 and name C5') (resid 4 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 4 and name O5') (resid 4 and name C5')
       (resid 4 and name C4') (resid 4 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 4 and name C4') (resid 4 and name C3')
       (resid 4 and name O3') (resid 5 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 4 and name C3') (resid 4 and name O3')
       (resid 5 and name P  ) (resid 5 and name O5') 1.0 0.0 120.0 2
!
!       C5
assign (resid 5 and name O4')
       (resid 5 and name C1')
       (resid 5 and name C2')
       (resid 5 and name C3') 1.0 -20.0 15.0 2
assign (resid 5 and name C1')
       (resid 5 and name C2')
       (resid 5 and name C3')
       (resid 5 and name C4') 1.0  35.0 15.0 2
assign (resid 5 and name c5') (resid 5 and name c4')
       (resid 5 and name c3') (resid 5 and name o3') 1.0 80.0 25.0 2
assign (resid 5 and name O4') (resid 5 and name C1')
       (resid 5 and name N1 ) (resid 5 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 4 and name O3') (resid 5 and name P  )
       (resid 5 and name O5') (resid 5 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 5 and name C3') (resid 5 and name O3')
       (resid 6 and name P  ) (resid 6 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
!assign (resid 5 and name C4') (resid 5 and name C3')
!       (resid 5 and name O3') (resid 6 and name P  ) 1.0 210.0 40.0 2
!
!       U6
assign (resid 6 and name O4') (resid 6 and name C1')
       (resid 6 and name N1 ) (resid 6 and name C2 ) 1.0 -160.0 40.0 2
!      
!       A7
assign (resid 7 and name O4') (resid 7 and name C1')
       (resid 7 and name N9 ) (resid 7 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 6 and name O3') (resid 7 and name P  )
       (resid 7 and name O5') (resid 7 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 7 and name C3') (resid 7 and name O3')
       (resid 8 and name P  ) (resid 8 and name O5') 1.0 0.0 120.0 2
!
!       U8
assign (resid 8 and name O4') (resid 8 and name C1')
       (resid 8 and name N1 ) (resid 8 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 7 and name O3') (resid 8 and name P  )
       (resid 8 and name O5') (resid 8 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 8 and name C3') (resid 8 and name O3')
       (resid 9 and name P  ) (resid 9 and name O5') 1.0 0.0 120.0 2
!
!       C9
assign (resid 9 and name O4') (resid 9 and name C1')
       (resid 9 and name N1 ) (resid 9 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 8 and name O3') (resid 9 and name P  )
       (resid 9 and name O5') (resid 9 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 9 and name C3') (resid 9 and name O3')
       (resid 10 and name P  ) (resid 10 and name O5') 1.0 0.0 120.0 2
!
!       G10
assign (resid 10 and name O4') (resid 10 and name C1')
       (resid 10 and name N9 ) (resid 10 and name C4 ) 1.0 -160.0 40.0 2
!
!       A11
assign (resid 11 and name O4') (resid 11 and name C1')
       (resid 11 and name N9 ) (resid 11 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 10 and name O3') (resid 11 and name P  )
       (resid 11 and name O5') (resid 11 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 11 and name C3') (resid 11 and name O3')
       (resid 12 and name P  ) (resid 12 and name O5') 1.0 0.0 120.0 2
!
!       C12
assign (resid 12 and name O4')
       (resid 12 and name C1')
       (resid 12 and name C2')
       (resid 12 and name C3') 1.0 -20.0 15.0 2
assign (resid 12 and name C1')
       (resid 12 and name C2')
       (resid 12 and name C3')
       (resid 12 and name C4') 1.0  35.0 15.0 2
assign (resid 12 and name c5') (resid 12 and name c4')
       (resid 12 and name c3') (resid 12 and name o3') 1.0 80.0 25.0 2
assign (resid 12 and name O4') (resid 12 and name C1')
       (resid 12 and name N1 ) (resid 12 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 11 and name O3') (resid 12 and name P  )
       (resid 12 and name O5') (resid 12 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 12 and name C3') (resid 12 and name O3')
       (resid 13 and name P  ) (resid 13 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 12 and name C4') (resid 12 and name C3')
       (resid 12 and name O3') (resid 13 and name P  ) 1.0 210.0 40.0 2
!
!       G35
assign (resid 35 and name O4')
       (resid 35 and name C1')
       (resid 35 and name C2')
       (resid 35 and name C3') 1.0 -20.0 15.0 2
assign (resid 35 and name C1')
       (resid 35 and name C2')
       (resid 35 and name C3')
       (resid 35 and name C4') 1.0  35.0 15.0 2
assign (resid 35 and name c5') (resid 35 and name c4')
       (resid 35 and name c3') (resid 35 and name o3') 1.0 80.0 25.0 2
assign (resid 35 and name O4') (resid 35 and name C1')
       (resid 35 and name N9 ) (resid 35 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 34 and name O3') (resid 35 and name P  )
       (resid 35 and name O5') (resid 35 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 35 and name C3') (resid 35 and name O3')
       (resid 36 and name P  ) (resid 36 and name O5') 1.0 0.0 120.0 2
!
!       G36
assign (resid 36 and name O4') (resid 36 and name C1')
       (resid 36 and name N9 ) (resid 36 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 35 and name O3') (resid 36 and name P  )
       (resid 36 and name O5') (resid 36 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 36 and name C3') (resid 36 and name O3')
       (resid 37 and name P  ) (resid 37 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, exclude gauche+)
!assign (resid 36 and name C4') (resid 36 and name C3')
!       (resid 36 and name O3') (resid 37 and name P  ) 1.0 235.0 70.0 2
!
!       A37
assign (resid 37 and name O4') (resid 37 and name C1')
       (resid 37 and name N9 ) (resid 37 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 36 and name O3') (resid 37 and name P  )
       (resid 37 and name O5') (resid 37 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 37 and name C3') (resid 37 and name O3')
       (resid 38 and name P  ) (resid 38 and name O5') 1.0 0.0 120.0 2
!
!       U38
assign (resid 38 and name O4') (resid 38 and name C1')
       (resid 38 and name N1 ) (resid 38 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 37 and name O3') (resid 38 and name P  )
       (resid 38 and name O5') (resid 38 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 38 and name C3') (resid 38 and name O3')
       (resid 39 and name P  ) (resid 39 and name O5') 1.0 0.0 120.0 2
!
!       G39
assign (resid 39 and name O4')
       (resid 39 and name C1')
       (resid 39 and name C2')
       (resid 39 and name C3') 1.0 -20.0 15.0 2
assign (resid 39 and name C1')
       (resid 39 and name C2')
       (resid 39 and name C3')
       (resid 39 and name C4') 1.0  35.0 15.0 2
assign (resid 39 and name c5') (resid 39 and name c4')
       (resid 39 and name c3') (resid 39 and name o3') 1.0 80.0 25.0 2
assign (resid 39 and name O4') (resid 39 and name C1')
       (resid 39 and name N9 ) (resid 39 and name C4 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 38 and name O3') (resid 39 and name P  )
       (resid 39 and name O5') (resid 39 and name C5') 1.0 0.0 120.0 2
!backbone zeta
assign (resid 39 and name C3') (resid 39 and name O3')
       (resid 40 and name P  ) (resid 40 and name O5') 1.0 0.0 120.0 2
!backbone epsilon (no C2'Pi+1 peak, trans)
assign (resid 39 and name C4') (resid 39 and name C3')
       (resid 39 and name O3') (resid 40 and name P  ) 1.0 210.0 40.0 2
!
!       U40
assign (resid 40 and name O4')
       (resid 40 and name C1')
       (resid 40 and name C2')
       (resid 40 and name C3') 1.0 -20.0 15.0 2
assign (resid 40 and name C1')
       (resid 40 and name C2')
       (resid 40 and name C3')
       (resid 40 and name C4') 1.0  35.0 15.0 2
assign (resid 40 and name c5') (resid 40 and name c4')
       (resid 40 and name c3') (resid 40 and name o3') 1.0 80.0 25.0 2
assign (resid 40 and name O4') (resid 40 and name C1')
       (resid 40 and name N1 ) (resid 40 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 39 and name O3') (resid 40 and name P  )
       (resid 40 and name O5') (resid 40 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 40 and name P  ) (resid 40 and name O5')
       (resid 40 and name C5') (resid 40 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 40 and name O5') (resid 40 and name C5')
       (resid 40 and name C4') (resid 40 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 40 and name C4') (resid 40 and name C3')
       (resid 40 and name O3') (resid 41 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 40 and name C3') (resid 40 and name O3')
       (resid 41 and name P  ) (resid 41 and name O5') 1.0 0.0 120.0 2
!
!       C41
assign (resid 41 and name O4')
       (resid 41 and name C1')
       (resid 41 and name C2')
       (resid 41 and name C3') 1.0 -20.0 15.0 2
assign (resid 41 and name C1')
       (resid 41 and name C2')
       (resid 41 and name C3')
       (resid 41 and name C4') 1.0  35.0 15.0 2
assign (resid 41 and name c5') (resid 41 and name c4')
       (resid 41 and name c3') (resid 41 and name o3') 1.0 80.0 25.0 2
assign (resid 41 and name O4') (resid 41 and name C1')
       (resid 41 and name N1 ) (resid 41 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 40 and name O3') (resid 41 and name P  )
       (resid 41 and name O5') (resid 41 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 41 and name P  ) (resid 41 and name O5')
       (resid 41 and name C5') (resid 41 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 41 and name O5') (resid 41 and name C5')
       (resid 41 and name C4') (resid 41 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 41 and name C4') (resid 41 and name C3')
       (resid 41 and name O3') (resid 42 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 41 and name C3') (resid 41 and name O3')
       (resid 42 and name P  ) (resid 42 and name O5') 1.0 0.0 120.0 2
!
!       U42
assign (resid 42 and name O4')
       (resid 42 and name C1')
       (resid 42 and name C2')
       (resid 42 and name C3') 1.0 -20.0 15.0 2
assign (resid 42 and name C1')
       (resid 42 and name C2')
       (resid 42 and name C3')
       (resid 42 and name C4') 1.0  35.0 15.0 2
assign (resid 42 and name c5') (resid 42 and name c4')
       (resid 42 and name c3') (resid 42 and name o3') 1.0 80.0 25.0 2
assign (resid 42 and name O4') (resid 42 and name C1')
       (resid 42 and name N1 ) (resid 42 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 41 and name O3') (resid 42 and name P  )
       (resid 42 and name O5') (resid 42 and name C5') 1.0 0.0 120.0 2
!backbone beta
assign (resid 42 and name P  ) (resid 42 and name O5')
       (resid 42 and name C5') (resid 42 and name C4') 1.0 180.0 40.0 2
!backbone gama
assign (resid 42 and name O5') (resid 42 and name C5')
       (resid 42 and name C4') (resid 42 and name C3') 1.0 60.0 40.0 2
!backbone epsilon
assign (resid 42 and name C4') (resid 42 and name C3')
       (resid 42 and name O3') (resid 43 and name P  ) 1.0 210.0 40.0 2
!backbone zeta
assign (resid 42 and name C3') (resid 42 and name O3')
       (resid 43 and name P  ) (resid 43 and name O5') 1.0 0.0 120.0 2
!
!       C43
assign (resid 43 and name O4') (resid 43 and name C1')
       (resid 43 and name N1 ) (resid 43 and name C2 ) 1.0 -160.0 40.0 2
!backbone alpha
assign (resid 42 and name O3') (resid 43 and name P  )
       (resid 43 and name O5') (resid 43 and name C5') 1.0 0.0 120.0 2
  ! for G1/ C43  base pair 
  assign (resid 1 and name N1)  (resid 43 and name N3)    2.95 0.2 0.2 
  assign (resid 1 and name O6)  (resid 43 and name N4)    2.91 0.2 0.2 
  assign (resid 1 and name N2)  (resid 43 and name O2)    2.86 0.2 0.2 
  assign (resid 1 and name H1)  (resid 43 and name N3)    1.95 0.2 0.2 
  assign (resid 1 and name O6)  (resid 43 and name HN')   1.91 0.2 0.2 
  assign (resid 1 and name HN') (resid 43 and name O2)    1.86 0.2 0.2
  ! for A2/ U42 base pair
  assign (resid 2 and name N1)  (resid 42 and name N3)    2.73 0.2 0.2
  assign (resid 2 and name N6)  (resid 42 and name O4)    2.92 0.2 0.2
  assign (resid 2 and name N1)  (resid 42 and name H3)    1.73 0.2 0.2
  assign (resid 2 and name HN') (resid 42 and name O4)    1.92 0.2 0.2
  ! for G3/ C41  base pair 
  assign (resid 3 and name N1)  (resid 41 and name N3)    2.95 0.2 0.2 
  assign (resid 3 and name O6)  (resid 41 and name N4)    2.91 0.2 0.2 
  assign (resid 3 and name N2)  (resid 41 and name O2)    2.86 0.2 0.2 
  assign (resid 3 and name H1)  (resid 41 and name N3)    1.95 0.2 0.2 
  assign (resid 3 and name O6)  (resid 41 and name HN')   1.91 0.2 0.2 
  assign (resid 3 and name HN') (resid 41 and name O2)    1.86 0.2 0.2
  ! for A4/ U40 base pair
  assign (resid 4 and name N1)  (resid 40 and name N3)    2.73 0.2 0.2
  assign (resid 4 and name N6)  (resid 40 and name O4)    2.92 0.2 0.2
  assign (resid 4 and name N1)  (resid 40 and name H3)    1.73 0.2 0.2
  assign (resid 4 and name HN') (resid 40 and name O4)    1.92 0.2 0.2
  ! for C5/ G39  base pair
  assign (resid 39 and name N1)  (resid 5 and name N3)    2.95 0.2 0.2
  assign (resid 39 and name O6)  (resid 5 and name N4)    2.91 0.2 0.2
  assign (resid 39 and name N2)  (resid 5 and name O2)    2.86 0.2 0.2
  assign (resid 39 and name H1)  (resid 5 and name N3)    1.95 0.2 0.2
  assign (resid 39 and name O6)  (resid 5 and name HN')   1.91 0.2 0.2
  assign (resid 39 and name HN') (resid 5 and name O2)    1.86 0.2 0.2
  ! for A7/ U38 base pair
!  assign (resid 7 and name N1)  (resid 38 and name N3)    2.73 0.3 0.3
!  assign (resid 7 and name N6)  (resid 38 and name O4)    2.92 0.3 0.3
!  assign (resid 7 and name N1)  (resid 38 and name H3)    1.73 0.3 0.3
!  assign (resid 7 and name HN') (resid 38 and name O4)    1.92 0.3 0.3
  ! for U8/ A37 base pair
!  assign (resid 37 and name N1)  (resid 8 and name N3)    2.73 0.3 0.3
!  assign (resid 37 and name N6)  (resid 8 and name O4)    2.92 0.3 0.3
!  assign (resid 37 and name N1)  (resid 8 and name H3)    1.73 0.3 0.3
!  assign (resid 37 and name HN') (resid 8 and name O4)    1.92 0.3 0.3
  ! for C9/ G36  base pair
  assign (resid 36 and name N1)  (resid 9 and name N3)    2.95 0.3 0.3
  assign (resid 36 and name O6)  (resid 9 and name N4)    2.91 0.3 0.3
  assign (resid 36 and name N2)  (resid 9 and name O2)    2.86 0.3 0.3
  assign (resid 36 and name H1)  (resid 9 and name N3)    1.95 0.3 0.3
  assign (resid 36 and name O6)  (resid 9 and name HN')   1.91 0.3 0.3
  assign (resid 36 and name HN') (resid 9 and name O2)    1.86 0.3 0.3
  ! for C12/ G35  base pair
  assign (resid 35 and name N1)  (resid 12 and name N3)    2.95 0.2 0.2
  assign (resid 35 and name O6)  (resid 12 and name N4)    2.91 0.2 0.2
  assign (resid 35 and name N2)  (resid 12 and name O2)    2.86 0.2 0.2
  assign (resid 35 and name H1)  (resid 12 and name N3)    1.95 0.2 0.2
  assign (resid 35 and name O6)  (resid 12 and name HN')   1.91 0.2 0.2
  assign (resid 35 and name HN') (resid 12 and name O2)    1.86 0.2 0.2
  ! for A13/ U34 base pair
  assign (resid 13 and name N1)  (resid 34 and name N3)    2.73 0.2 0.2
  assign (resid 13 and name N6)  (resid 34 and name O4)    2.92 0.2 0.2
  assign (resid 13 and name N1)  (resid 34 and name H3)    1.73 0.2 0.2
  assign (resid 13 and name HN') (resid 34 and name O4)    1.92 0.2 0.2
  ! for U14/ A33 base pair 
  assign (resid 33 and name N1)  (resid 14 and name N3)    2.73 0.2 0.2 
  assign (resid 33 and name N6)  (resid 14 and name O4)    2.92 0.2 0.2 
  assign (resid 33 and name N1)  (resid 14 and name H3)    1.73 0.2 0.2 
  assign (resid 33 and name HN') (resid 14 and name O4)    1.92 0.2 0.2
  ! for G17/ C31  base pair 
  assign (resid 17 and name N1)  (resid 31 and name N3)    2.95 0.2 0.2 
  assign (resid 17 and name O6)  (resid 31 and name N4)    2.91 0.2 0.2 
  assign (resid 17 and name N2)  (resid 31 and name O2)    2.86 0.2 0.2 
  assign (resid 17 and name H1)  (resid 31 and name N3)    1.95 0.2 0.2 
  assign (resid 17 and name O6)  (resid 31 and name HN')   1.91 0.2 0.2 
  assign (resid 17 and name HN') (resid 31 and name O2)    1.86 0.2 0.2 
  ! for A18/ U30 base pair 
  assign (resid 18 and name N1)  (resid 30 and name N3)    2.73 0.2 0.2 
  assign (resid 18 and name N6)  (resid 30 and name O4)    2.92 0.2 0.2 
  assign (resid 18 and name N1)  (resid 30 and name H3)    1.73 0.2 0.2 
  assign (resid 18 and name HN') (resid 30 and name O4)    1.92 0.2 0.2
  ! for U19/ A29 base pair 
  assign (resid 29 and name N1)  (resid 19 and name N3)    2.73 0.2 0.2 
  assign (resid 29 and name N6)  (resid 19 and name O4)    2.92 0.2 0.2 
  assign (resid 29 and name N1)  (resid 19 and name H3)    1.73 0.2 0.2 
  assign (resid 29 and name HN') (resid 19 and name O4)    1.92 0.2 0.2
  ! for A20/ U28 base pair 
  assign (resid 20 and name N1)  (resid 28 and name N3)    2.73 0.2 0.2 
  assign (resid 20 and name N6)  (resid 28 and name O4)    2.92 0.2 0.2 
  assign (resid 20 and name N1)  (resid 28 and name H3)    1.73 0.2 0.2 
  assign (resid 20 and name HN') (resid 28 and name O4)    1.92 0.2 0.2
  !
  !
restraints plane
! G1-C43 WC
!--------------------------------------------------------------------
 group 
  select= ((resid 1 and (name N1 or name C6 or name C2)) or 
  (resid 43 and (name N3))) 
  weight=80 
 end 

 group
  select= ((resid 1 and (name N1)) or
                (resid 43 and (name N3 or name C2 or name C4)))
  weight=80
 end
   
! A2-U42 WC
!--------------------------------------------------------------------
 group
  select= ((resid 2 and (name N1 or name C2 or name C6)) or
  (resid 42 and (name N3)))
  weight=50 
 end   

 group
  select= ((resid 2 and (name N1)) or
                (resid 42 and (name N3 or name C2 or name C4)))
  weight=50
 end
   
! G3-C41 WC
!--------------------------------------------------------------------
 group
  select= ((resid 3 and (name N1 or name C6 or name C2)) or
  (resid 41 and (name N3)))
  weight=50 
 end  

 group
  select= ((resid 3 and (name N1)) or
                (resid 41 and (name N3 or name C2 or name C4)))
  weight=50
 end
   
! A4-U40 WC
!--------------------------------------------------------------------
 group
  select= ((resid 4 and (name N1 or name C2 or name C6)) or
  (resid 40 and (name N3)))
  weight=50 
 end   

 group
  select= ((resid 4 and (name N1)) or
                (resid 40 and (name N3 or name C2 or name C4)))
  weight=50
 end

! C5-G39 WC
!--------------------------------------------------------------------
 group
  select= ((resid 39 and (name N1 or name C6 or name C2)) or
  (resid 5 and (name N3)))
  weight=50 
 end

 group
  select= ((resid 39 and (name N1)) or
                (resid 5 and (name N3 or name C2 or name C4)))
  weight=50
 end

! A7-U38 WC
!--------------------------------------------------------------------
! group
!  select= ((resid 7 and (name N1 or name C2 or name C6)) or
!  (resid 38 and (name N3)))
!  weight=20 
! end   

! group
!  select= ((resid 7 and (name N1)) or
!                (resid 38 and (name N3 or name C2 or name C4)))
!  weight=20
! end

! U8-A37 WC
!--------------------------------------------------------------------
! group
!  select= ((resid 37 and (name N1)) or
!  (resid 8 and (name N3 or name C2 or name C4)))
!  weight=20 
! end   

! group
!  select= ((resid 37 and (name N1 or name C2 or name C6)) or
!                (resid 8 and (name N3)))
!  weight=20
! end

! C9-G36 WC
!--------------------------------------------------------------------
 group
  select= ((resid 36 and (name N1 or name C6 or name C2)) or
   (resid 9 and (name N3)))
  weight=20 
 end
 
 group
  select= ((resid 36 and (name N1)) or
                (resid 9 and (name N3 or name C2 or name C4)))
  weight=20
 end

! C12-G35 WC
!--------------------------------------------------------------------
 group
  select= ((resid 35 and (name N1 or name C6 or name C2)) or
  (resid 12 and (name N3)))
  weight=50 
 end

 group
  select= ((resid 35 and (name N1)) or
                (resid 12 and (name N3 or name C2 or name C4)))
  weight=50
 end
   
! A13-U34 WC
!--------------------------------------------------------------------
 group
  select= ((resid 13 and (name N1 or name C2 or name C6)) or
  (resid 34 and (name N3)))
  weight=50 
 end   

 group
  select= ((resid 13 and (name N1)) or
                (resid 34 and (name N3 or name C2 or name C4)))
  weight=50
 end

! U14-A33 WC
!--------------------------------------------------------------------
 group
  select= ((resid 33 and (name N1)) or
  (resid 14 and (name N3 or name C2 or name C4)))
  weight=30 
 end   

 group
  select= ((resid 33 and (name N1 or name C2 or name C6)) or
                (resid 14 and (name N3)))
  weight=30
 end

! G17-C31 WC
!--------------------------------------------------------------------
 group
  select= ((resid 17 and (name N1)) or
  (resid 31 and (name N3 or name C2 or name C4)))
  weight=50 
 end 

 group
  select= ((resid 17 and (name N1 or name C6 or name C2)) or
                (resid 31 and (name N3)))
  weight=50
 end  

! A18-U30 WC
!--------------------------------------------------------------------
 group
  select= ((resid 18 and (name N1)) or
  (resid 30 and (name N3 or name C2 or name C4)))
  weight=50
 end

 group
  select= ((resid 18 and (name N1 or name C2 or name C6)) or
                (resid 30 and (name N3)))
  weight=50
 end

! U19-A29 WC
!--------------------------------------------------------------------
 group
  select= ((resid 29 and (name N1)) or
   (resid 19 and (name N3 or name C2 or name C4)))
  weight=50 
 end   

 group
  select= ((resid 29 and (name N1 or name C2 or name C6)) or
                (resid 19 and (name N3)))
  weight=50
 end

! A20-U28 WC
!--------------------------------------------------------------------
 group
  select= ((resid 20 and (name N1)) or
  (resid 28 and (name N3 or name C2 or name C4)))
  weight=30 
 end

 group
  select= ((resid 20 and (name N1 or name C2 or name C6)) or
                (resid 28 and (name N3)))
  weight=30
 end

end
!tet43 RDCs measured in aprox 14mg/ml phage 
!fully labeled sample, 10 mM NaHPO4 buffer 
!with 0 mM NaCl, starting Da/R 
!has all 13C RDCs
! V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4 
!  
! C12
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  12  and name C6 )
       ( resid  12  and name H6 )   43.2  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  12  and name C5 )
       ( resid  12  and name H5 )   22.95  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  12  and name C1' )
       ( resid  12  and name H1' )  1.35  2.0

! A13, U14 RDC not observed

! U15
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  15  and name C1' )
!       ( resid  15  and name H1' )  18  2.0

! U16 RDC not observed

! G17 
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  17  and name C8 )
       ( resid  17  and name H8 )   38  2.0

! A18
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  18  and name C8 )
       ( resid  18  and name H8 )   1.35  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  18  and name C1' )
       ( resid  18  and name H1' )  -12.15  2.0

! U19
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  19  and name C6 )
       ( resid  19  and name H6 )   15  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  19  and name C1' )
       ( resid  19  and name H1' )   -11  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  19  and name C3' )
       ( resid  19  and name H3' )   22  2.0

! A20
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  20  and name C8 )
       ( resid  20  and name H8 )   33.75  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  20  and name C2 )
       ( resid  20  and name H2 )   47.25  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  20  and name C1' )
       ( resid  20  and name H1' )  1.35  2.0

! C21
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  21  and name C6 )
!       ( resid  21  and name H6 )   16.2  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  21  and name C5 )
!       ( resid  21  and name H5 )   36.45  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  21  and name C2' )
!       ( resid  21  and name H2'' )   29.7  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  21  and name C3' )
!       ( resid  21  and name H3' )   28.35  2.0

! A22
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  22  and name C8 )
!       ( resid  22  and name H8 )   20.25  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  22  and name C2 )
!       ( resid  22  and name H2 )   4.05  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  22  and name C1' )
!       ( resid  22  and name H1' )  -12.15  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  22  and name C2' )
!       ( resid  22  and name H2'' )   36.45  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  22  and name C3' )
!       ( resid  22  and name H3' )   16.2  2.0

! C23
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  23  and name C6 )
!       ( resid  23  and name H6 )   9.45  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  23  and name C1' )
!       ( resid  23  and name H1' )  -2.7  2.0

! U24
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  24  and name C6 )
!       ( resid  24  and name H6 )   0.0  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  24  and name C1' )
!       ( resid  24  and name H1' )  14  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  24  and name C2' )
!       ( resid  24  and name H2'' )   3  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  24  and name C3' )
!       ( resid  24  and name H3' )   -18  2.0

! A25
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  25  and name C8 )
!       ( resid  25  and name H8 )   12.15  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  25  and name C1' )
!       ( resid  25  and name H1' )   17.55  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  25  and name C2' )
!       ( resid  25  and name H2'' )   -14.85  2.0

! U26
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  26  and name C1' )
!       ( resid  26  and name H1' )  -15  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  26  and name C2' )
!       ( resid  26  and name H2'' )   3  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  26  and name C3' )
!       ( resid  26  and name H3' )   -23  2.0

! U27
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  27  and name C1' )
!       ( resid  27  and name H1' )  55  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  27  and name C3' )
!       ( resid  27  and name H3' )   -15  2.0

! U28
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  28  and name C6 )
       ( resid  28  and name H6 )   46  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  28  and name C1' )
       ( resid  28  and name H1' )  -33  2.0

! A29
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  29  and name C8 )
       ( resid  29  and name H8 )   37.8  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  29  and name C2 )
       ( resid  29  and name H2 )   47.25  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  29  and name C1' )
       ( resid  29  and name H1' )   -13.5  2.0

! U30

! C31
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  31  and name C6 )
       ( resid  31  and name H6 )   28.35  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  31  and name C1' )
       ( resid  31  and name H1' )   1.35  2.0

! A32
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  32  and name C8 )
       ( resid  32  and name H8 )   31.05  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  32  and name C2 )
       ( resid  32  and name H2 )   44.55  2.0

! A33
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  33  and name C8 )
       ( resid  33  and name H8 )   47.25  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  33  and name C2 )
       ( resid  33  and name H2 )   45.9  2.0

! U34
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  34  and name C6 )
       ( resid  34  and name H6 )   23  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  34  and name C1' )
       ( resid  34  and name H1' )  -7  2.0

! G35
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  35  and name C8 )
       ( resid  35  and name H8 )   33  2.0
!tet43 RDCs measured in aprox 14mg/ml phage 
!fully labeled sample, 10 mM NaHPO4 buffer 
!with 0 mM NaCl, starting Da/R 
!has all 13C RDCs
! V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4 
!  
! G1
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  1  and name C8 )
       ( resid  1  and name H8 )   -1  2.0

! A2
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  2  and name C8 )
       ( resid  2  and name H8 )   31.05  2.0  

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  2  and name C2 )
       ( resid  2  and name H2 )   49.95  2.0

! G3
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  3  and name C8 )
       ( resid  3  and name H8 )   3  2.0

! A4
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  4  and name C8 )
       ( resid  4  and name H8 )   29.7  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  4  and name C2 )
       ( resid  4  and name H2 )   36.45  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  4  and name C1' )
       ( resid  4  and name H1' )  -48.6  2.0

! C5
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  5  and name C6 )
       ( resid  5  and name H6 )   40.5  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  5  and name C5 )
       ( resid  5  and name H5 )   12.15  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  5  and name C1' )
       ( resid  5  and name H1' )   -24.3  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  5  and name C2' )
       ( resid  5  and name H2'' )   -17.6  2.0

! U6 RDC not observed
! A7 RDC not used
! U8 RDC not observed

! C9
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  9  and name C6 )
!       ( resid  9  and name H6 )   33.75  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  9  and name C5 )
!       ( resid  9  and name H5 )   24.3  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  9  and name C1' )
!       ( resid  9  and name H1' )   9.45  2.0

! G10
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  10  and name C8 )
!       ( resid  10  and name H8 )   13  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  10  and name C1' )
!       ( resid  10  and name H1' )  -6  2.0

! A11
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  11  and name C8 )
!       ( resid  11  and name H8 )   45.9  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  11  and name C1' )
!       ( resid  11  and name H1' )  2.7  2.0

! G36
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  36  and name C8 )
!       ( resid  36  and name H8 )   15  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  36  and name C2' )
!       ( resid  36  and name H2'' )  16  2.0

! A37
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  37  and name C8 )
!       ( resid  37  and name H8 )   10.8  2.0

!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  37  and name C2 )
!       ( resid  37  and name H2 )   14.85  2.0

! U38
!assign ( resid  44  and name OO  )
!       ( resid  44  and name Z   )
!       ( resid  44  and name X   )
!       ( resid  44  and name Y   )
!       ( resid  38  and name C6 )
!       ( resid  38  and name H6 )   36  2.0

! G39
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  39  and name C8 )
       ( resid  39  and name H8 )   29  2.0

! U40
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  40  and name C1' )
       ( resid  40  and name H1' )   14  2.0

! C41
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  41  and name C5 )
       ( resid  41  and name H5 )   33.75  2.0

! U42 RDC not observed

! C43
assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  43  and name C6 )
       ( resid  43  and name H6 )   -13.5  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  43  and name C5 )
       ( resid  43  and name H5 )   37.8  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  43  and name C2' )
       ( resid  43  and name H2'' )  33.75  2.0

assign ( resid  44  and name OO  )
       ( resid  44  and name Z   )
       ( resid  44  and name X   )
       ( resid  44  and name Y   )
       ( resid  43  and name C3' )
       ( resid  43  and name H3' )   12.15  2.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  11.887 -22.093   0.085
    2   2H5*    G   1          2H5*        G   1  13.634 -21.943  -0.200
    3    H4*    G   1           H4*        G   1  13.494 -23.412  -2.150
    4    H3*    G   1           H3*        G   1  10.601 -22.735  -1.867
    5    H2*    G   1           H2*        G   1   9.829 -24.856  -1.632
    6   2HO*    G   1          2HO*        G   1  11.379 -26.368  -3.186
    7    H1*    G   1           H1*        G   1  12.409 -26.255  -1.586
    8    H8     G   1           H8         G   1  11.249 -24.804   1.697
    9    H1     G   1           H1         G   1   8.506 -30.431   0.298
   10   1H2     G   1          1H2         G   1   8.937 -30.988  -1.790
   11   2H2     G   1          2H2         G   1   9.898 -29.981  -2.851
   12    H5T    G   1           H5T        G   1  15.016 -21.531  -3.367
   13   1H5*    A   2          1H5*        A   2  10.727 -25.060  -6.731
   14   2H5*    A   2          2H5*        A   2   9.549 -23.770  -7.046
   15    H4*    A   2           H4*        A   2   8.699 -25.996  -7.778
   16    H3*    A   2           H3*        A   2   7.401 -24.307  -5.666
   17    H2*    A   2           H2*        A   2   5.960 -25.944  -4.968
   18   2HO*    A   2          2HO*        A   2   4.942 -27.272  -6.363
   19    H1*    A   2           H1*        A   2   7.347 -28.264  -5.869
   20    H8     A   2           H8         A   2   9.272 -26.277  -3.284
   21   1H6     A   2          1H6         A   2   5.819 -29.103   1.000
   22   2H6     A   2          2H6         A   2   7.207 -28.078   0.715
   23    H2     A   2           H2         A   2   4.088 -30.046  -3.026
   24   1H5*    G   3          1H5*        G   3   4.198 -25.549  -9.471
   25   2H5*    G   3          2H5*        G   3   2.721 -24.814  -8.816
   26    H4*    G   3           H4*        G   3   2.959 -27.488  -9.372
   27    H3*    G   3           H3*        G   3   1.222 -25.832  -7.541
   28    H2*    G   3           H2*        G   3   0.509 -27.645  -6.289
   29   2HO*    G   3          2HO*        G   3   1.276 -29.848  -7.415
   30    H1*    G   3           H1*        G   3   2.772 -29.219  -6.315
   31    H8     G   3           H8         G   3   3.818 -25.668  -5.574
   32    H1     G   3           H1         G   3   0.938 -28.513  -0.598
   33   1H2     G   3          1H2         G   3   0.030 -30.413  -1.227
   34   2H2     G   3          2H2         G   3   0.120 -31.002  -2.870
   35   1H5*    A   4          1H5*        A   4  -2.838 -27.197  -9.956
   36   2H5*    A   4          2H5*        A   4  -3.493 -25.618  -9.477
   37    H4*    A   4           H4*        A   4  -4.527 -27.922  -8.539
   38    H3*    A   4           H3*        A   4  -4.258 -25.144  -7.421
   39    H2*    A   4           H2*        A   4  -4.708 -25.756  -5.246
   40   2HO*    A   4          2HO*        A   4  -6.678 -26.775  -5.687
   41    H1*    A   4           H1*        A   4  -3.747 -28.372  -5.208
   42    H8     A   4           H8         A   4  -1.055 -26.094  -6.546
   43   1H6     A   4          1H6         A   4  -0.026 -24.337  -0.700
   44   2H6     A   4          2H6         A   4   0.561 -24.274  -2.346
   45    H2     A   4           H2         A   4  -3.792 -26.763  -0.782
   46   1H5*    C   5          1H5*        C   5  -9.131 -26.479  -6.519
   47   2H5*    C   5          2H5*        C   5  -9.587 -24.763  -6.526
   48    H4*    C   5           H4*        C   5 -10.205 -26.269  -4.435
   49    H3*    C   5           H3*        C   5  -9.301 -23.422  -4.699
   50    H2*    C   5           H2*        C   5  -8.691 -23.138  -2.501
   51   2HO*    C   5          2HO*        C   5  -9.562 -24.652  -0.856
   52    H1*    C   5           H1*        C   5  -7.932 -25.704  -1.775
   53   1H4     C   5          1H4         C   5  -2.540 -22.418  -2.467
   54   2H4     C   5          2H4         C   5  -2.810 -22.239  -4.187
   55    H5     C   5           H5         C   5  -4.786 -23.056  -5.303
   56    H6     C   5           H6         C   5  -6.925 -24.217  -5.011
   57   1H5*    U   6          1H5*        U   6 -12.750 -19.974  -3.394
   58   2H5*    U   6          2H5*        U   6 -11.335 -20.412  -4.370
   59    H4*    U   6           H4*        U   6 -11.542 -21.020  -1.387
   60    H3*    U   6           H3*        U   6 -11.049 -18.485  -2.819
   61    H2*    U   6           H2*        U   6  -8.806 -18.349  -2.540
   62   2HO*    U   6          2HO*        U   6  -8.309 -19.180  -0.079
   63    H1*    U   6           H1*        U   6  -8.341 -20.836  -1.062
   64    H3     U   6           H3         U   6  -4.373 -19.945  -3.089
   65    H5     U   6           H5         U   6  -7.030 -20.701  -6.274
   66    H6     U   6           H6         U   6  -8.837 -20.785  -4.657
   67   1H5*    A   7          1H5*        A   7 -12.557 -18.260   1.790
   68   2H5*    A   7          2H5*        A   7 -13.838 -17.065   2.070
   69    H4*    A   7           H4*        A   7 -12.337 -15.437   2.605
   70    H3*    A   7           H3*        A   7 -11.722 -15.850  -0.066
   71    H2*    A   7           H2*        A   7 -10.026 -17.393   0.093
   72   2HO*    A   7          2HO*        A   7  -7.938 -16.222   0.653
   73    H1*    A   7           H1*        A   7  -8.885 -16.450   2.678
   74    H8     A   7           H8         A   7 -10.781 -19.513   1.106
   75   1H6     A   7          1H6         A   7  -5.908 -22.756   3.109
   76   2H6     A   7          2H6         A   7  -7.440 -22.831   2.269
   77    H2     A   7           H2         A   7  -5.299 -18.469   4.268
   78   1H5*    U   8          1H5*        U   8 -10.336 -16.036   4.405
   79   2H5*    U   8          2H5*        U   8 -11.383 -14.632   4.704
   80    H4*    U   8           H4*        U   8  -9.867 -14.977   6.622
   81    H3*    U   8           H3*        U   8 -10.323 -12.609   5.235
   82    H2*    U   8           H2*        U   8  -8.312 -12.246   4.190
   83   2HO*    U   8          2HO*        U   8  -8.233 -10.878   6.130
   84    H1*    U   8           H1*        U   8  -6.548 -13.775   6.002
   85    H3     U   8           H3         U   8  -3.589 -14.225   2.701
   86    H5     U   8           H5         U   8  -7.267 -14.374   0.648
   87    H6     U   8           H6         U   8  -8.392 -14.085   2.778
   88   1H5*    C   9          1H5*        C   9  -6.696 -11.767   9.278
   89   2H5*    C   9          2H5*        C   9  -6.605 -11.035   7.661
   90    H4*    C   9           H4*        C   9  -4.626 -13.018   8.875
   91    H3*    C   9           H3*        C   9  -4.817 -10.065   8.634
   92    H2*    C   9           H2*        C   9  -2.942  -9.731   7.357
   93   2HO*    C   9          2HO*        C   9  -1.135 -11.246   7.528
   94    H1*    C   9           H1*        C   9  -2.548 -12.248   6.173
   95   1H4     C   9          1H4         C   9  -4.091  -7.957   1.672
   96   2H4     C   9          2H4         C   9  -5.734  -8.551   1.758
   97    H5     C   9           H5         C   9  -6.484 -10.126   3.410
   98    H6     C   9           H6         C   9  -5.827 -11.478   5.344
   99   1H5*    G  10          1H5*        G  10  -1.073  -9.785   9.433
  100   2H5*    G  10          2H5*        G  10  -0.892  -9.376  11.150
  101    H4*    G  10           H4*        G  10   0.507  -7.920   9.659
  102    H3*    G  10           H3*        G  10  -1.155  -7.202  11.839
  103    H2*    G  10           H2*        G  10  -2.722  -5.903  10.777
  104   2HO*    G  10          2HO*        G  10  -1.482  -4.264  11.693
  105    H1*    G  10           H1*        G  10  -1.061  -5.136   8.432
  106    H8     G  10           H8         G  10  -3.186  -7.402   6.898
  107    H1     G  10           H1         G  10  -6.832  -2.629   9.144
  108   1H2     G  10          1H2         G  10  -5.723  -1.475  10.661
  109   2H2     G  10          2H2         G  10  -4.084  -1.870  11.126
  110   1H5*    A  11          1H5*        A  11   3.138  -3.398  13.194
  111   2H5*    A  11          2H5*        A  11   1.646  -3.358  12.235
  112    H4*    A  11           H4*        A  11   4.447  -3.958  11.174
  113    H3*    A  11           H3*        A  11   2.898  -1.500  11.596
  114    H2*    A  11           H2*        A  11   2.112  -1.192   9.490
  115   2HO*    A  11          2HO*        A  11   3.965  -0.158   8.913
  116    H1*    A  11           H1*        A  11   3.516  -3.402   8.141
  117    H8     A  11           H8         A  11   0.026  -2.600   9.747
  118   1H6     A  11          1H6         A  11  -2.155  -3.682   4.056
  119   2H6     A  11          2H6         A  11  -2.571  -3.233   5.696
  120    H2     A  11           H2         A  11   2.285  -4.288   3.989
  121   1H5*    C  12          1H5*        C  12   8.249  -0.881   9.617
  122   2H5*    C  12          2H5*        C  12   7.590   0.684   9.098
  123    H4*    C  12           H4*        C  12   9.213  -0.904   7.538
  124    H3*    C  12           H3*        C  12   7.327   1.380   7.076
  125    H2*    C  12           H2*        C  12   6.930   0.913   4.865
  126   2HO*    C  12          2HO*        C  12   9.389   0.847   4.635
  127    H1*    C  12           H1*        C  12   7.384  -1.841   4.748
  128   1H4     C  12          1H4         C  12   1.133  -1.061   4.015
  129   2H4     C  12          2H4         C  12   0.981  -0.353   5.608
  130    H5     C  12           H5         C  12   2.861   0.037   7.064
  131    H6     C  12           H6         C  12   5.291  -0.170   7.305
  132   1H5*    A  13          1H5*        A  13  10.045   5.071   4.233
  133   2H5*    A  13          2H5*        A  13   8.504   4.535   4.931
  134    H4*    A  13           H4*        A  13   9.910   3.017   2.694
  135    H3*    A  13           H3*        A  13   8.482   5.587   2.635
  136    H2*    A  13           H2*        A  13   6.445   4.844   1.959
  137   2HO*    A  13          2HO*        A  13   6.385   3.668  -0.063
  138    H1*    A  13           H1*        A  13   7.150   2.008   1.509
  139    H8     A  13           H8         A  13   5.781   3.367   4.833
  140   1H6     A  13          1H6         A  13   0.212   1.677   2.749
  141   2H6     A  13          2H6         A  13   1.118   2.280   4.119
  142    H2     A  13           H2         A  13   3.160   1.154  -0.589
  143   1H5*    U  14          1H5*        U  14   8.619   3.915  -1.072
  144   2H5*    U  14          2H5*        U  14   9.686   4.646  -2.288
  145    H4*    U  14           H4*        U  14   7.778   4.042  -3.551
  146    H3*    U  14           H3*        U  14   8.142   6.872  -2.844
  147    H2*    U  14           H2*        U  14   5.974   7.458  -2.524
  148   2HO*    U  14          2HO*        U  14   4.565   7.265  -4.275
  149    H1*    U  14           H1*        U  14   4.697   4.902  -3.247
  150    H3     U  14           H3         U  14   1.437   6.618  -0.690
  151    H5     U  14           H5         U  14   4.803   6.739   1.843
  152    H6     U  14           H6         U  14   6.148   5.945  -0.017
  153   1H5*    U  15          1H5*        U  15   6.146   8.689  -8.014
  154   2H5*    U  15          2H5*        U  15   6.036   9.269  -6.340
  155    H4*    U  15           H4*        U  15   4.054   7.354  -7.656
  156    H3*    U  15           H3*        U  15   4.379  10.127  -8.060
  157    H2*    U  15           H2*        U  15   3.605  10.947  -6.059
  158   2HO*    U  15          2HO*        U  15   1.355  11.097  -5.999
  159    H1*    U  15           H1*        U  15   1.903   8.641  -5.286
  160    H3     U  15           H3         U  15   1.858  11.194  -1.531
  161    H5     U  15           H5         U  15   5.885  10.027  -1.963
  162    H6     U  15           H6         U  15   5.307   9.068  -4.116
  163   1H5*    U  16          1H5*        U  16   0.782   7.812 -10.140
  164   2H5*    U  16          2H5*        U  16   0.027   8.516 -11.583
  165    H4*    U  16           H4*        U  16  -1.696   9.469 -10.377
  166    H3*    U  16           H3*        U  16   0.549  10.155  -8.561
  167    H2*    U  16           H2*        U  16  -0.409   9.574  -6.579
  168   2HO*    U  16          2HO*        U  16  -2.695  10.669  -7.815
  169    H1*    U  16           H1*        U  16  -2.615   7.987  -7.405
  170    H3     U  16           H3         U  16  -1.128   4.849  -4.628
  171    H5     U  16           H5         U  16   2.442   6.295  -6.340
  172    H6     U  16           H6         U  16   1.106   7.828  -7.667
  173   1H5*    G  17          1H5*        G  17  -2.639  14.869  -9.719
  174   2H5*    G  17          2H5*        G  17  -1.665  13.858  -8.634
  175    H4*    G  17           H4*        G  17  -4.283  12.777  -9.690
  176    H3*    G  17           H3*        G  17  -3.880  15.096  -7.814
  177    H2*    G  17           H2*        G  17  -4.977  14.156  -6.044
  178   2HO*    G  17          2HO*        G  17  -6.969  13.992  -7.004
  179    H1*    G  17           H1*        G  17  -4.870  11.399  -6.751
  180    H8     G  17           H8         G  17  -1.381  12.182  -6.183
  181    H1     G  17           H1         G  17  -4.716  12.800  -0.738
  182   1H2     G  17          1H2         G  17  -6.876  12.874  -1.177
  183   2H2     G  17          2H2         G  17  -7.508  12.772  -2.805
  184   1H5*    A  18          1H5*        A  18  -8.298  15.908  -9.396
  185   2H5*    A  18          2H5*        A  18  -8.509  17.651  -9.133
  186    H4*    A  18           H4*        A  18  -9.980  16.088  -7.698
  187    H3*    A  18           H3*        A  18  -8.295  18.425  -6.887
  188    H2*    A  18           H2*        A  18  -8.323  17.998  -4.632
  189   2HO*    A  18          2HO*        A  18 -10.677  17.935  -4.648
  190    H1*    A  18           H1*        A  18  -8.634  15.228  -4.580
  191    H8     A  18           H8         A  18  -5.851  16.902  -6.717
  192   1H6     A  18          1H6         A  18  -2.291  16.235  -1.703
  193   2H6     A  18          2H6         A  18  -2.340  16.736  -3.378
  194    H2     A  18           H2         A  18  -6.440  14.904  -0.651
  195   1H5*    U  19          1H5*        U  19 -12.120  19.121  -4.137
  196   2H5*    U  19          2H5*        U  19 -12.153  20.878  -4.380
  197    H4*    U  19           H4*        U  19 -11.996  20.117  -1.942
  198    H3*    U  19           H3*        U  19 -10.094  21.993  -3.372
  199    H2*    U  19           H2*        U  19  -8.691  22.161  -1.540
  200   2HO*    U  19          2HO*        U  19 -10.901  21.247   0.022
  201    H1*    U  19           H1*        U  19  -9.067  19.613  -0.440
  202    H3     U  19           H3         U  19  -4.648  19.556  -1.198
  203    H5     U  19           H5         U  19  -6.258  20.197  -5.041
  204    H6     U  19           H6         U  19  -8.463  20.273  -4.033
  205   1H5*    A  20          1H5*        A  20  -9.636  26.515  -1.949
  206   2H5*    A  20          2H5*        A  20  -8.956  24.991  -2.555
  207    H4*    A  20           H4*        A  20  -8.941  25.494   0.424
  208    H3*    A  20           H3*        A  20  -7.526  27.111  -1.642
  209    H2*    A  20           H2*        A  20  -5.430  26.367  -1.190
  210   2HO*    A  20          2HO*        A  20  -5.330  25.957   1.426
  211    H1*    A  20           H1*        A  20  -6.093  24.324   0.802
  212    H8     A  20           H8         A  20  -6.392  23.331  -2.841
  213   1H6     A  20          1H6         A  20  -0.381  21.858  -2.555
  214   2H6     A  20          2H6         A  20  -1.841  21.753  -3.513
  215    H2     A  20           H2         A  20  -1.453  24.075   1.184
  216   1H5*    C  21          1H5*        C  21  -4.980  30.730   1.664
  217   2H5*    C  21          2H5*        C  21  -4.678  29.329   0.613
  218    H4*    C  21           H4*        C  21  -4.894  28.997   3.625
  219    H3*    C  21           H3*        C  21  -2.731  30.281   2.006
  220    H2*    C  21           H2*        C  21  -1.072  28.794   2.528
  221   2HO*    C  21          2HO*        C  21  -2.107  29.161   4.956
  222    H1*    C  21           H1*        C  21  -2.567  26.528   3.318
  223   1H4     C  21          1H4         C  21   0.984  25.380  -1.898
  224   2H4     C  21          2H4         C  21  -0.466  25.591  -2.855
  225    H5     C  21           H5         C  21  -2.556  26.365  -1.931
  226    H6     C  21           H6         C  21  -3.700  27.103   0.109
  227   1H5*    A  22          1H5*        A  22  -1.066  33.808   2.224
  228   2H5*    A  22          2H5*        A  22  -1.175  32.720   0.824
  229    H4*    A  22           H4*        A  22  -0.020  31.986   3.557
  230    H3*    A  22           H3*        A  22   1.090  33.309   1.192
  231    H2*    A  22           H2*        A  22   2.300  31.638   0.234
  232   2HO*    A  22          2HO*        A  22   2.826  30.041   2.403
  233    H1*    A  22           H1*        A  22   1.325  29.292   1.383
  234    H8     A  22           H8         A  22  -1.743  30.446  -0.097
  235   1H6     A  22          1H6         A  22   0.677  29.826  -5.760
  236   2H6     A  22          2H6         A  22  -0.795  30.049  -4.841
  237    H2     A  22           H2         A  22   4.024  29.624  -2.787
  238   1H5*    C  23          1H5*        C  23   4.548  31.515   0.608
  239   2H5*    C  23          2H5*        C  23   5.651  32.603   1.475
  240    H4*    C  23           H4*        C  23   6.512  32.937  -0.635
  241    H3*    C  23           H3*        C  23   4.197  34.793  -0.178
  242    H2*    C  23           H2*        C  23   3.792  35.229  -2.386
  243   2HO*    C  23          2HO*        C  23   5.459  36.073  -3.343
  244    H1*    C  23           H1*        C  23   5.048  33.005  -3.628
  245   1H4     C  23          1H4         C  23  -1.059  32.395  -5.175
  246   2H4     C  23          2H4         C  23  -1.575  32.739  -3.538
  247    H5     C  23           H5         C  23  -0.043  33.211  -1.744
  248    H6     C  23           H6         C  23   2.315  33.453  -1.126
  249   1H5*    U  24          1H5*        U  24   8.856  36.299  -2.664
  250   2H5*    U  24          2H5*        U  24   7.969  35.250  -1.539
  251    H4*    U  24           H4*        U  24  10.534  36.726  -1.138
  252    H3*    U  24           H3*        U  24   9.579  34.051  -0.938
  253    H2*    U  24           H2*        U  24   8.688  34.121   1.192
  254   2HO*    U  24          2HO*        U  24  10.163  33.286   2.465
  255    H1*    U  24           H1*        U  24  10.444  36.345   2.156
  256    H3     U  24           H3         U  24   7.858  37.001   5.730
  257    H5     U  24           H5         U  24   5.077  35.733   2.825
  258    H6     U  24           H6         U  24   6.916  35.530   1.251
  259   1H5*    A  25          1H5*        A  25  12.296  32.244  -3.231
  260   2H5*    A  25          2H5*        A  25  11.168  33.618  -3.224
  261    H4*    A  25           H4*        A  25  10.709  31.261  -4.569
  262    H3*    A  25           H3*        A  25   9.358  33.649  -4.113
  263    H2*    A  25           H2*        A  25   8.103  33.063  -2.252
  264   2HO*    A  25          2HO*        A  25   6.706  31.826  -4.412
  265    H1*    A  25           H1*        A  25   7.765  30.197  -3.041
  266    H8     A  25           H8         A  25   9.684  31.999  -0.148
  267   1H6     A  25          1H6         A  25   5.514  29.300   3.538
  268   2H6     A  25          2H6         A  25   6.954  30.293   3.474
  269    H2     A  25           H2         A  25   4.442  28.344  -0.707
  270   1H5*    U  26          1H5*        U  26   9.722  28.841  -3.503
  271   2H5*    U  26          2H5*        U  26   9.971  28.490  -5.228
  272    H4*    U  26           H4*        U  26   8.562  26.883  -3.384
  273    H3*    U  26           H3*        U  26   9.639  26.531  -5.862
  274    H2*    U  26           H2*        U  26   8.045  27.565  -7.199
  275   2HO*    U  26          2HO*        U  26   7.730  25.565  -7.977
  276    H1*    U  26           H1*        U  26   5.636  26.804  -5.646
  277    H3     U  26           H3         U  26   5.126  29.842  -9.306
  278    H5     U  26           H5         U  26   5.377  31.944  -5.661
  279    H6     U  26           H6         U  26   6.112  29.890  -4.603
  280   1H5*    U  27          1H5*        U  27  10.765  23.193  -2.072
  281   2H5*    U  27          2H5*        U  27   9.104  23.066  -2.686
  282    H4*    U  27           H4*        U  27  10.363  25.505  -1.348
  283    H3*    U  27           H3*        U  27   8.646  23.220  -0.492
  284    H2*    U  27           H2*        U  27   6.866  24.469   0.195
  285   2HO*    U  27          2HO*        U  27   7.134  26.224   1.481
  286    H1*    U  27           H1*        U  27   7.515  27.009  -1.000
  287    H3     U  27           H3         U  27   3.001  25.698  -0.862
  288    H5     U  27           H5         U  27   4.615  24.577  -4.591
  289    H6     U  27           H6         U  27   6.821  25.072  -3.710
  290   1H5*    U  28          1H5*        U  28   7.671  21.998   2.975
  291   2H5*    U  28          2H5*        U  28   6.853  22.448   1.463
  292    H4*    U  28           H4*        U  28   6.167  23.648   4.185
  293    H3*    U  28           H3*        U  28   5.210  21.188   2.684
  294    H2*    U  28           H2*        U  28   2.973  21.682   3.062
  295   2HO*    U  28          2HO*        U  28   3.119  23.766   4.796
  296    H1*    U  28           H1*        U  28   3.108  24.462   2.990
  297    H3     U  28           H3         U  28   0.280  22.801  -0.227
  298    H5     U  28           H5         U  28   4.154  22.483  -1.860
  299    H6     U  28           H6         U  28   5.047  23.114   0.307
  300   1H5*    A  29          1H5*        A  29   2.940  21.682   5.841
  301   2H5*    A  29          2H5*        A  29   2.865  20.297   6.949
  302    H4*    A  29           H4*        A  29   0.587  21.005   6.582
  303    H3*    A  29           H3*        A  29   1.472  18.495   5.105
  304    H2*    A  29           H2*        A  29  -0.492  18.384   3.925
  305   2HO*    A  29          2HO*        A  29  -2.442  19.468   4.940
  306    H1*    A  29           H1*        A  29  -1.328  21.129   4.290
  307    H8     A  29           H8         A  29   1.693  20.316   2.056
  308   1H6     A  29          1H6         A  29  -2.406  19.717  -2.537
  309   2H6     A  29          2H6         A  29  -0.708  19.760  -2.116
  310    H2     A  29           H2         A  29  -4.677  20.266   1.291
  311   1H5*    U  30          1H5*        U  30  -2.393  18.463   7.654
  312   2H5*    U  30          2H5*        U  30  -2.755  16.800   8.156
  313    H4*    U  30           H4*        U  30  -4.718  18.133   7.154
  314    H3*    U  30           H3*        U  30  -3.720  15.400   6.333
  315    H2*    U  30           H2*        U  30  -5.098  15.267   4.492
  316   2HO*    U  30          2HO*        U  30  -6.831  17.341   5.207
  317    H1*    U  30           H1*        U  30  -5.432  18.020   3.944
  318    H3     U  30           H3         U  30  -4.169  16.077   0.056
  319    H5     U  30           H5         U  30  -0.694  15.956   2.437
  320    H6     U  30           H6         U  30  -2.017  16.795   4.293
  321   1H5*    C  31          1H5*        C  31  -8.653  14.157   7.136
  322   2H5*    C  31          2H5*        C  31  -8.032  12.517   7.405
  323    H4*    C  31           H4*        C  31  -9.798  13.001   5.460
  324    H3*    C  31           H3*        C  31  -7.455  11.135   5.695
  325    H2*    C  31           H2*        C  31  -7.330  10.668   3.449
  326   2HO*    C  31          2HO*        C  31  -9.577  11.470   2.330
  327    H1*    C  31           H1*        C  31  -8.447  12.996   2.343
  328   1H4     C  31          1H4         C  31  -2.306  13.109   0.771
  329   2H4     C  31          2H4         C  31  -1.814  13.029   2.448
  330    H5     C  31           H5         C  31  -3.375  12.875   4.276
  331    H6     C  31           H6         C  31  -5.747  12.758   4.889
  332   1H5*    A  32          1H5*        A  32  -9.211   6.984   3.024
  333   2H5*    A  32          2H5*        A  32  -7.924   8.187   3.247
  334    H4*    A  32           H4*        A  32 -10.170   8.815   1.330
  335    H3*    A  32           H3*        A  32  -8.108   6.645   1.062
  336    H2*    A  32           H2*        A  32  -7.193   7.451  -0.869
  337   2HO*    A  32          2HO*        A  32  -8.452   8.434  -2.465
  338    H1*    A  32           H1*        A  32  -8.090  10.164  -0.761
  339    H8     A  32           H8         A  32  -5.753  10.169   1.948
  340   1H6     A  32          1H6         A  32  -1.060   9.307  -1.994
  341   2H6     A  32          2H6         A  32  -1.507   9.769  -0.367
  342    H2     A  32           H2         A  32  -4.878   8.380  -4.149
  343   1H5*    A  33          1H5*        A  33  -8.072   3.190  -1.294
  344   2H5*    A  33          2H5*        A  33  -7.293   4.594  -0.538
  345    H4*    A  33           H4*        A  33  -7.672   4.442  -3.549
  346    H3*    A  33           H3*        A  33  -5.824   2.902  -1.777
  347    H2*    A  33           H2*        A  33  -3.861   3.697  -2.664
  348   2HO*    A  33          2HO*        A  33  -3.612   4.114  -4.793
  349    H1*    A  33           H1*        A  33  -4.627   6.197  -3.635
  350    H8     A  33           H8         A  33  -5.660   5.973  -0.035
  351   1H6     A  33          1H6         A  33   0.251   6.975   1.481
  352   2H6     A  33          2H6         A  33  -1.392   6.871   2.073
  353    H2     A  33           H2         A  33   0.063   6.191  -2.929
  354   1H5*    U  34          1H5*        U  34  -5.050   1.183  -5.673
  355   2H5*    U  34          2H5*        U  34  -4.339  -0.437  -5.545
  356    H4*    U  34           H4*        U  34  -2.832   1.695  -6.165
  357    H3*    U  34           H3*        U  34  -2.304  -0.821  -4.601
  358    H2*    U  34           H2*        U  34  -0.369  -0.056  -3.649
  359   2HO*    U  34          2HO*        U  34   1.113   0.917  -4.827
  360    H1*    U  34           H1*        U  34  -0.780   2.749  -3.809
  361    H3     U  34           H3         U  34   0.692   1.123   0.296
  362    H5     U  34           H5         U  34  -3.522   1.135   0.389
  363    H6     U  34           H6         U  34  -3.507   1.579  -1.998
  364   1H5*    G  35          1H5*        G  35  -1.720  -4.518  -5.878
  365   2H5*    G  35          2H5*        G  35  -1.933  -3.912  -4.221
  366    H4*    G  35           H4*        G  35   0.349  -3.255  -6.137
  367    H3*    G  35           H3*        G  35  -0.078  -5.076  -3.803
  368    H2*    G  35           H2*        G  35   1.581  -4.234  -2.474
  369   2HO*    G  35          2HO*        G  35   3.248  -2.897  -4.029
  370    H1*    G  35           H1*        G  35   1.926  -1.646  -3.513
  371    H8     G  35           H8         G  35  -1.621  -1.982  -2.388
  372    H1     G  35           H1         G  35   2.500  -1.648   2.516
  373   1H2     G  35          1H2         G  35   4.564  -1.909   1.792
  374   2H2     G  35          2H2         G  35   4.943  -2.162   0.104
  375   1H5*    G  36          1H5*        G  36   4.077  -6.516  -4.553
  376   2H5*    G  36          2H5*        G  36   3.789  -8.247  -4.802
  377    H4*    G  36           H4*        G  36   5.424  -7.620  -2.899
  378    H3*    G  36           H3*        G  36   3.220  -9.563  -3.038
  379    H2*    G  36           H2*        G  36   2.612  -9.661  -0.842
  380   2HO*    G  36          2HO*        G  36   4.830 -10.411  -0.391
  381    H1*    G  36           H1*        G  36   3.667  -7.303   0.243
  382    H8     G  36           H8         G  36   1.346  -6.494  -2.606
  383    H1     G  36           H1         G  36  -1.758  -8.345   2.693
  384   1H2     G  36          1H2         G  36  -0.343  -9.163   4.162
  385   2H2     G  36          2H2         G  36   1.377  -9.266   3.856
  386   1H5*    A  37          1H5*        A  37   7.661 -12.234  -1.215
  387   2H5*    A  37          2H5*        A  37   5.922 -12.276  -1.574
  388    H4*    A  37           H4*        A  37   7.266 -12.827   1.107
  389    H3*    A  37           H3*        A  37   6.694 -14.487  -1.080
  390    H2*    A  37           H2*        A  37   4.400 -14.595  -1.017
  391   2HO*    A  37          2HO*        A  37   5.441 -16.344   0.742
  392    H1*    A  37           H1*        A  37   3.981 -14.001   1.846
  393    H8     A  37           H8         A  37   3.635 -12.211  -1.627
  394   1H6     A  37          1H6         A  37  -2.332 -11.658  -0.095
  395   2H6     A  37          2H6         A  37  -1.116 -11.307  -1.301
  396    H2     A  37           H2         A  37  -0.244 -13.842   3.217
  397   1H5*    U  38          1H5*        U  38   5.330 -16.713   4.074
  398   2H5*    U  38          2H5*        U  38   4.759 -17.258   2.483
  399    H4*    U  38           H4*        U  38   3.198 -15.536   4.465
  400    H3*    U  38           H3*        U  38   3.559 -18.365   4.219
  401    H2*    U  38           H2*        U  38   2.044 -18.860   2.577
  402   2HO*    U  38          2HO*        U  38   0.654 -18.337   4.854
  403    H1*    U  38           H1*        U  38   0.446 -16.371   2.714
  404    H3     U  38           H3         U  38  -0.991 -18.347  -1.120
  405    H5     U  38           H5         U  38   2.986 -17.196  -1.913
  406    H6     U  38           H6         U  38   3.222 -16.633   0.436
  407   1H5*    G  39          1H5*        G  39   0.969 -21.068   7.134
  408   2H5*    G  39          2H5*        G  39   0.593 -20.591   5.467
  409    H4*    G  39           H4*        G  39  -1.337 -20.354   7.826
  410    H3*    G  39           H3*        G  39  -0.657 -22.543   5.902
  411    H2*    G  39           H2*        G  39  -2.731 -22.758   4.941
  412   2HO*    G  39          2HO*        G  39  -4.389 -22.932   6.223
  413    H1*    G  39           H1*        G  39  -3.790 -20.213   5.209
  414    H8     G  39           H8         G  39  -0.813 -19.170   3.572
  415    H1     G  39           H1         G  39  -3.839 -23.395  -0.185
  416   1H2     G  39          1H2         G  39  -5.359 -24.489   0.969
  417   2H2     G  39          2H2         G  39  -5.639 -24.199   2.671
  418   1H5*    U  40          1H5*        U  40  -2.817 -25.477   8.584
  419   2H5*    U  40          2H5*        U  40  -1.853 -26.912   8.192
  420    H4*    U  40           H4*        U  40  -4.313 -26.644   7.221
  421    H3*    U  40           H3*        U  40  -1.777 -27.770   6.052
  422    H2*    U  40           H2*        U  40  -2.613 -27.915   3.918
  423   2HO*    U  40          2HO*        U  40  -4.400 -29.117   4.140
  424    H1*    U  40           H1*        U  40  -4.493 -25.831   3.957
  425    H3     U  40           H3         U  40  -1.521 -25.435   0.465
  426    H5     U  40           H5         U  40   0.362 -23.675   3.799
  427    H6     U  40           H6         U  40  -1.419 -24.566   5.191
  428   1H5*    C  41          1H5*        C  41  -3.470 -32.395   6.497
  429   2H5*    C  41          2H5*        C  41  -1.761 -32.857   6.344
  430    H4*    C  41           H4*        C  41  -3.620 -33.467   4.456
  431    H3*    C  41           H3*        C  41  -0.642 -32.938   4.383
  432    H2*    C  41           H2*        C  41  -0.582 -32.871   2.069
  433   2HO*    C  41          2HO*        C  41  -2.695 -34.623   2.339
  434    H1*    C  41           H1*        C  41  -3.042 -31.706   1.559
  435   1H4     C  41          1H4         C  41   1.683 -27.462   0.823
  436   2H4     C  41          2H4         C  41   1.605 -27.071   2.526
  437    H5     C  41           H5         C  41   0.173 -28.240   4.084
  438    H6     C  41           H6         C  41  -1.470 -30.046   4.340
  439   1H5*    U  42          1H5*        U  42  -0.672 -36.523   2.008
  440   2H5*    U  42          2H5*        U  42   1.045 -36.903   1.791
  441    H4*    U  42           H4*        U  42  -0.493 -35.527  -0.043
  442    H3*    U  42           H3*        U  42   2.467 -35.816   0.503
  443    H2*    U  42           H2*        U  42   3.030 -33.977  -0.729
  444   2HO*    U  42          2HO*        U  42   1.859 -35.073  -2.569
  445    H1*    U  42           H1*        U  42   0.504 -32.622  -0.755
  446    H3     U  42           H3         U  42   4.068 -29.755  -0.089
  447    H5     U  42           H5         U  42   3.016 -31.284   3.697
  448    H6     U  42           H6         U  42   1.580 -32.888   2.574
  449   1H5*    C  43          1H5*        C  43   4.997 -38.752  -0.499
  450   2H5*    C  43          2H5*        C  43   4.438 -37.201   0.160
  451    H4*    C  43           H4*        C  43   5.943 -37.345  -2.478
  452    H3*    C  43           H3*        C  43   6.894 -37.670   0.342
  453    H2*    C  43           H2*        C  43   8.212 -35.833   0.417
  454   2HO*    C  43          2HO*        C  43   9.505 -36.883  -1.311
  455    H1*    C  43           H1*        C  43   7.289 -34.471  -1.960
  456   1H4     C  43          1H4         C  43   6.885 -30.207   2.731
  457   2H4     C  43          2H4         C  43   5.780 -31.228   3.625
  458    H5     C  43           H5         C  43   5.122 -33.423   2.891
  459    H6     C  43           H6         C  43   5.382 -35.122   1.143
  460    H3T    C  43           H3T        C  43   7.379 -39.151  -1.361
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  12.493 -21.244   0.908
    2   2H5*    G   1          2H5*        G   1  14.220 -21.641   0.807
    3    H4*    G   1           H4*        G   1  13.778 -22.936  -1.289
    4    H3*    G   1           H3*        G   1  11.094 -21.664  -0.866
    5    H2*    G   1           H2*        G   1   9.901 -23.589  -0.728
    6   2HO*    G   1          2HO*        G   1  11.325 -24.031  -3.047
    7    H1*    G   1           H1*        G   1  12.134 -25.483  -0.736
    8    H8     G   1           H8         G   1  11.158 -23.732   2.511
    9    H1     G   1           H1         G   1   7.792 -29.050   1.273
   10   1H2     G   1          1H2         G   1   8.219 -29.761  -0.770
   11   2H2     G   1          2H2         G   1   9.325 -28.931  -1.840
   12    H5T    G   1           H5T        G   1  13.167 -20.841  -2.979
   13   1H5*    A   2          1H5*        A   2  10.822 -23.750  -5.872
   14   2H5*    A   2          2H5*        A   2   9.626 -22.453  -6.063
   15    H4*    A   2           H4*        A   2   8.854 -24.773  -6.814
   16    H3*    A   2           H3*        A   2   7.452 -22.942  -4.867
   17    H2*    A   2           H2*        A   2   5.954 -24.526  -4.177
   18   2HO*    A   2          2HO*        A   2   6.055 -26.306  -6.264
   19    H1*    A   2           H1*        A   2   7.358 -26.891  -5.011
   20    H8     A   2           H8         A   2   9.102 -25.050  -2.224
   21   1H6     A   2          1H6         A   2   5.152 -27.785   1.674
   22   2H6     A   2          2H6         A   2   6.610 -26.827   1.536
   23    H2     A   2           H2         A   2   3.735 -28.552  -2.508
   24   1H5*    G   3          1H5*        G   3   4.634 -24.161  -9.079
   25   2H5*    G   3          2H5*        G   3   3.105 -23.417  -8.573
   26    H4*    G   3           H4*        G   3   3.252 -26.009  -9.319
   27    H3*    G   3           H3*        G   3   1.487 -24.460  -7.437
   28    H2*    G   3           H2*        G   3   0.684 -26.309  -6.302
   29   2HO*    G   3          2HO*        G   3   0.881 -28.453  -7.245
   30    H1*    G   3           H1*        G   3   2.864 -27.977  -6.336
   31    H8     G   3           H8         G   3   4.084 -24.508  -5.465
   32    H1     G   3           H1         G   3   0.958 -27.346  -0.635
   33   1H2     G   3          1H2         G   3  -0.037 -29.175  -1.339
   34   2H2     G   3          2H2         G   3   0.056 -29.718  -2.999
   35   1H5*    A   4          1H5*        A   4  -2.539 -25.531  -9.994
   36   2H5*    A   4          2H5*        A   4  -3.114 -23.929  -9.489
   37    H4*    A   4           H4*        A   4  -4.297 -26.186  -8.625
   38    H3*    A   4           H3*        A   4  -3.864 -23.465  -7.413
   39    H2*    A   4           H2*        A   4  -4.395 -24.115  -5.270
   40   2HO*    A   4          2HO*        A   4  -6.424 -25.000  -5.849
   41    H1*    A   4           H1*        A   4  -3.608 -26.792  -5.309
   42    H8     A   4           H8         A   4  -0.754 -24.634  -6.512
   43   1H6     A   4          1H6         A   4   0.277 -23.192  -0.579
   44   2H6     A   4          2H6         A   4   0.896 -23.094  -2.212
   45    H2     A   4           H2         A   4  -3.628 -25.374  -0.823
   46   1H5*    C   5          1H5*        C   5  -8.801 -24.505  -6.606
   47   2H5*    C   5          2H5*        C   5  -9.164 -22.766  -6.578
   48    H4*    C   5           H4*        C   5  -9.894 -24.276  -4.532
   49    H3*    C   5           H3*        C   5  -8.803 -21.489  -4.711
   50    H2*    C   5           H2*        C   5  -8.194 -21.303  -2.503
   51   2HO*    C   5          2HO*        C   5  -9.342 -22.186  -0.883
   52    H1*    C   5           H1*        C   5  -7.618 -23.932  -1.836
   53   1H4     C   5          1H4         C   5  -2.009 -21.001  -2.389
   54   2H4     C   5          2H4         C   5  -2.249 -20.760  -4.105
   55    H5     C   5           H5         C   5  -4.261 -21.413  -5.262
   56    H6     C   5           H6         C   5  -6.476 -22.434  -5.021
   57   1H5*    U   6          1H5*        U   6 -11.884 -18.595  -5.085
   58   2H5*    U   6          2H5*        U   6 -10.179 -18.139  -5.269
   59    H4*    U   6           H4*        U   6 -11.440 -19.675  -2.955
   60    H3*    U   6           H3*        U   6 -10.894 -16.903  -3.523
   61    H2*    U   6           H2*        U   6  -8.781 -16.711  -2.712
   62   2HO*    U   6          2HO*        U   6  -9.238 -17.733  -0.203
   63    H1*    U   6           H1*        U   6  -8.648 -19.260  -1.211
   64    H3     U   6           H3         U   6  -4.318 -17.867  -1.424
   65    H5     U   6           H5         U   6  -5.382 -18.653  -5.427
   66    H6     U   6           H6         U   6  -7.666 -18.993  -4.680
   67   1H5*    A   7          1H5*        A   7 -12.210 -16.298   1.950
   68   2H5*    A   7          2H5*        A   7 -11.074 -16.268   0.586
   69    H4*    A   7           H4*        A   7 -10.789 -18.485   2.606
   70    H3*    A   7           H3*        A   7 -10.423 -15.540   3.130
   71    H2*    A   7           H2*        A   7  -8.233 -15.720   3.766
   72   2HO*    A   7          2HO*        A   7  -8.211 -18.449   4.335
   73    H1*    A   7           H1*        A   7  -7.524 -18.166   2.506
   74    H8     A   7           H8         A   7  -8.127 -16.124  -0.387
   75   1H6     A   7          1H6         A   7  -3.236 -12.610   1.024
   76   2H6     A   7          2H6         A   7  -4.387 -13.042  -0.220
   77    H2     A   7           H2         A   7  -4.275 -15.063   4.629
   78   1H5*    U   8          1H5*        U   8  -7.967 -15.895   6.169
   79   2H5*    U   8          2H5*        U   8  -9.136 -15.870   7.505
   80    H4*    U   8           H4*        U   8  -7.268 -14.204   7.803
   81    H3*    U   8           H3*        U   8 -10.084 -13.888   8.134
   82    H2*    U   8           H2*        U   8 -10.506 -12.173   6.678
   83   2HO*    U   8          2HO*        U   8  -8.894 -10.268   7.688
   84    H1*    U   8           H1*        U   8  -7.730 -11.151   6.423
   85    H3     U   8           H3         U   8  -9.609  -8.955   2.965
   86    H5     U   8           H5         U   8 -10.272 -13.021   2.059
   87    H6     U   8           H6         U   8  -9.383 -13.583   4.245
   88   1H5*    C   9          1H5*        C   9  -5.346 -14.771   9.702
   89   2H5*    C   9          2H5*        C   9  -5.260 -13.221  10.564
   90    H4*    C   9           H4*        C   9  -3.066 -14.132   9.482
   91    H3*    C   9           H3*        C   9  -4.238 -11.420   9.628
   92    H2*    C   9           H2*        C   9  -3.433 -10.593   7.666
   93   2HO*    C   9          2HO*        C   9  -0.960 -11.933   8.016
   94    H1*    C   9           H1*        C   9  -2.077 -12.987   6.666
   95   1H4     C   9          1H4         C   9  -5.058 -10.231   1.728
   96   2H4     C   9          2H4         C   9  -6.526 -11.058   2.200
   97    H5     C   9           H5         C   9  -6.731 -12.331   4.227
   98    H6     C   9           H6         C   9  -5.579 -13.094   6.248
   99   1H5*    G  10          1H5*        G  10   0.600 -10.505   9.663
  100   2H5*    G  10          2H5*        G  10   0.481  -9.701  11.240
  101    H4*    G  10           H4*        G  10   1.782  -8.355   9.567
  102    H3*    G  10           H3*        G  10  -0.261  -7.526  11.354
  103    H2*    G  10           H2*        G  10  -1.862  -6.811   9.873
  104   2HO*    G  10          2HO*        G  10  -1.012  -4.807  10.483
  105    H1*    G  10           H1*        G  10  -0.048  -6.284   7.574
  106    H8     G  10           H8         G  10  -1.591  -9.242   6.532
  107    H1     G  10           H1         G  10  -6.128  -4.729   6.974
  108   1H2     G  10          1H2         G  10  -5.403  -3.043   8.197
  109   2H2     G  10          2H2         G  10  -3.805  -3.015   8.905
  110   1H5*    A  11          1H5*        A  11   3.735  -2.989  12.208
  111   2H5*    A  11          2H5*        A  11   2.172  -2.938  11.368
  112    H4*    A  11           H4*        A  11   4.811  -3.998  10.261
  113    H3*    A  11           H3*        A  11   3.386  -1.427  10.188
  114    H2*    A  11           H2*        A  11   2.486  -1.572   8.108
  115   2HO*    A  11          2HO*        A  11   4.924  -1.162   7.642
  116    H1*    A  11           H1*        A  11   3.672  -4.128   7.262
  117    H8     A  11           H8         A  11   0.316  -3.088   8.993
  118   1H6     A  11          1H6         A  11  -2.263  -4.649   3.589
  119   2H6     A  11          2H6         A  11  -2.564  -4.079   5.215
  120    H2     A  11           H2         A  11   2.171  -5.186   3.226
  121   1H5*    C  12          1H5*        C  12   8.644  -1.831   7.659
  122   2H5*    C  12          2H5*        C  12   8.042  -0.210   7.257
  123    H4*    C  12           H4*        C  12   9.305  -1.842   5.457
  124    H3*    C  12           H3*        C  12   7.381   0.464   5.277
  125    H2*    C  12           H2*        C  12   6.702   0.002   3.135
  126   2HO*    C  12          2HO*        C  12   8.243  -0.190   1.725
  127    H1*    C  12           H1*        C  12   7.222  -2.762   2.972
  128   1H4     C  12          1H4         C  12   0.917  -2.160   2.691
  129   2H4     C  12          2H4         C  12   0.866  -1.380   4.255
  130    H5     C  12           H5         C  12   2.837  -0.888   5.548
  131    H6     C  12           H6         C  12   5.283  -1.034   5.619
  132   1H5*    A  13          1H5*        A  13  10.480   1.019   1.808
  133   2H5*    A  13          2H5*        A  13  10.534   2.786   1.639
  134    H4*    A  13           H4*        A  13   9.890   1.414  -0.468
  135    H3*    A  13           H3*        A  13   8.769   3.902   0.691
  136    H2*    A  13           H2*        A  13   6.630   3.650  -0.021
  137   2HO*    A  13          2HO*        A  13   6.260   3.212  -2.262
  138    H1*    A  13           H1*        A  13   6.898   1.048  -1.359
  139    H8     A  13           H8         A  13   6.110   2.056   2.334
  140   1H6     A  13          1H6         A  13   0.322   0.350   0.990
  141   2H6     A  13          2H6         A  13   1.403   0.928   2.239
  142    H2     A  13           H2         A  13   2.787  -0.049  -2.735
  143   1H5*    U  14          1H5*        U  14   8.818   3.130  -3.512
  144   2H5*    U  14          2H5*        U  14   9.477   4.371  -4.596
  145    H4*    U  14           H4*        U  14   7.542   3.182  -5.630
  146    H3*    U  14           H3*        U  14   7.903   6.042  -5.272
  147    H2*    U  14           H2*        U  14   5.827   6.624  -4.551
  148   2HO*    U  14          2HO*        U  14   4.602   5.227  -6.675
  149    H1*    U  14           H1*        U  14   4.446   4.056  -5.065
  150    H3     U  14           H3         U  14   1.475   5.783  -2.190
  151    H5     U  14           H5         U  14   5.119   6.105  -0.096
  152    H6     U  14           H6         U  14   6.251   5.260  -2.069
  153   1H5*    U  15          1H5*        U  15   5.222   7.632 -10.108
  154   2H5*    U  15          2H5*        U  15   5.469   8.277  -8.472
  155    H4*    U  15           H4*        U  15   3.164   6.435  -9.248
  156    H3*    U  15           H3*        U  15   3.590   9.208  -9.877
  157    H2*    U  15           H2*        U  15   2.887  10.172  -7.931
  158   2HO*    U  15          2HO*        U  15   0.853  10.588  -8.221
  159    H1*    U  15           H1*        U  15   1.421   7.841  -6.817
  160    H3     U  15           H3         U  15   1.568  10.760  -3.325
  161    H5     U  15           H5         U  15   5.586   9.665  -3.976
  162    H6     U  15           H6         U  15   4.875   8.498  -5.981
  163   1H5*    U  16          1H5*        U  16  -0.310   7.114 -11.359
  164   2H5*    U  16          2H5*        U  16  -1.244   7.808 -12.700
  165    H4*    U  16           H4*        U  16  -2.744   8.870 -11.282
  166    H3*    U  16           H3*        U  16  -0.253   9.373  -9.728
  167    H2*    U  16           H2*        U  16  -1.026   8.817  -7.658
  168   2HO*    U  16          2HO*        U  16  -3.132   9.363  -6.997
  169    H1*    U  16           H1*        U  16  -3.377   7.352  -8.255
  170    H3     U  16           H3         U  16  -1.724   4.068  -5.754
  171    H5     U  16           H5         U  16   1.689   5.420  -7.826
  172    H6     U  16           H6         U  16   0.278   7.045  -8.952
  173   1H5*    G  17          1H5*        G  17  -3.122  12.433 -11.059
  174   2H5*    G  17          2H5*        G  17  -3.509  14.091 -10.555
  175    H4*    G  17           H4*        G  17  -5.276  12.194 -10.121
  176    H3*    G  17           H3*        G  17  -4.330  14.468  -8.384
  177    H2*    G  17           H2*        G  17  -5.196  13.643  -6.436
  178   2HO*    G  17          2HO*        G  17  -7.087  12.009  -6.786
  179    H1*    G  17           H1*        G  17  -5.485  10.891  -7.114
  180    H8     G  17           H8         G  17  -1.874  11.465  -7.146
  181    H1     G  17           H1         G  17  -4.237  11.989  -1.205
  182   1H2     G  17          1H2         G  17  -6.434  12.169  -1.276
  183   2H2     G  17          2H2         G  17  -7.328  12.159  -2.779
  184   1H5*    A  18          1H5*        A  18  -8.979  15.441  -9.139
  185   2H5*    A  18          2H5*        A  18  -9.076  17.196  -8.886
  186    H4*    A  18           H4*        A  18 -10.501  15.721  -7.312
  187    H3*    A  18           H3*        A  18  -8.610  17.960  -6.639
  188    H2*    A  18           H2*        A  18  -8.586  17.555  -4.375
  189   2HO*    A  18          2HO*        A  18 -10.415  16.143  -3.510
  190    H1*    A  18           H1*        A  18  -9.087  14.804  -4.319
  191    H8     A  18           H8         A  18  -6.237  16.337  -6.475
  192   1H6     A  18          1H6         A  18  -2.647  15.349  -1.537
  193   2H6     A  18          2H6         A  18  -2.692  15.887  -3.200
  194    H2     A  18           H2         A  18  -6.855  14.255  -0.441
  195   1H5*    U  19          1H5*        U  19 -12.288  19.489  -3.946
  196   2H5*    U  19          2H5*        U  19 -11.855  21.194  -4.184
  197    H4*    U  19           H4*        U  19 -11.847  20.242  -1.745
  198    H3*    U  19           H3*        U  19  -9.762  21.920  -3.157
  199    H2*    U  19           H2*        U  19  -8.290  21.806  -1.380
  200   2HO*    U  19          2HO*        U  19  -9.636  20.795   0.666
  201    H1*    U  19           H1*        U  19  -9.041  19.296  -0.342
  202    H3     U  19           H3         U  19  -4.623  18.808  -1.046
  203    H5     U  19           H5         U  19  -6.158  19.451  -4.920
  204    H6     U  19           H6         U  19  -8.341  19.812  -3.922
  205   1H5*    A  20          1H5*        A  20  -9.407  26.245  -2.404
  206   2H5*    A  20          2H5*        A  20  -7.953  25.514  -3.112
  207    H4*    A  20           H4*        A  20  -9.025  25.104  -0.283
  208    H3*    A  20           H3*        A  20  -7.246  26.962  -1.541
  209    H2*    A  20           H2*        A  20  -5.272  25.838  -1.363
  210   2HO*    A  20          2HO*        A  20  -5.594  25.438   1.395
  211    H1*    A  20           H1*        A  20  -6.142  23.754   0.556
  212    H8     A  20           H8         A  20  -6.177  22.856  -3.110
  213   1H6     A  20          1H6         A  20  -0.277  21.109  -2.393
  214   2H6     A  20          2H6         A  20  -1.661  21.083  -3.460
  215    H2     A  20           H2         A  20  -1.536  23.317   1.294
  216   1H5*    C  21          1H5*        C  21  -4.987  29.788   2.433
  217   2H5*    C  21          2H5*        C  21  -4.636  28.710   1.066
  218    H4*    C  21           H4*        C  21  -4.623  27.710   3.941
  219    H3*    C  21           H3*        C  21  -2.660  29.412   2.461
  220    H2*    C  21           H2*        C  21  -0.905  27.941   2.528
  221   2HO*    C  21          2HO*        C  21  -1.788  27.688   5.052
  222    H1*    C  21           H1*        C  21  -2.232  25.482   2.920
  223   1H4     C  21          1H4         C  21   0.833  25.691  -2.709
  224   2H4     C  21          2H4         C  21  -0.709  26.022  -3.466
  225    H5     C  21           H5         C  21  -2.727  26.458  -2.216
  226    H6     C  21           H6         C  21  -3.693  26.673   0.028
  227   1H5*    A  22          1H5*        A  22  -1.350  32.981   3.228
  228   2H5*    A  22          2H5*        A  22  -1.427  32.091   1.694
  229    H4*    A  22           H4*        A  22  -0.044  31.161   4.255
  230    H3*    A  22           H3*        A  22   0.783  32.614   1.777
  231    H2*    A  22           H2*        A  22   2.312  31.086   1.014
  232   2HO*    A  22          2HO*        A  22   2.583  30.144   3.696
  233    H1*    A  22           H1*        A  22   1.416  28.701   2.133
  234    H8     A  22           H8         A  22  -1.592  29.338   0.403
  235   1H6     A  22          1H6         A  22   1.310  29.304  -5.066
  236   2H6     A  22          2H6         A  22  -0.240  29.226  -4.259
  237    H2     A  22           H2         A  22   4.407  29.674  -1.849
  238   1H5*    C  23          1H5*        C  23   4.463  31.156   1.691
  239   2H5*    C  23          2H5*        C  23   5.397  32.490   2.396
  240    H4*    C  23           H4*        C  23   6.394  32.103   0.256
  241    H3*    C  23           H3*        C  23   4.985  34.557   0.820
  242    H2*    C  23           H2*        C  23   3.495  34.574  -0.914
  243   2HO*    C  23          2HO*        C  23   5.250  34.486  -2.982
  244    H1*    C  23           H1*        C  23   4.886  32.625  -2.671
  245   1H4     C  23          1H4         C  23  -1.146  31.963  -4.469
  246   2H4     C  23          2H4         C  23  -1.727  32.222  -2.840
  247    H5     C  23           H5         C  23  -0.274  32.637  -0.969
  248    H6     C  23           H6         C  23   2.056  32.894  -0.252
  249   1H5*    U  24          1H5*        U  24  10.095  36.103  -0.816
  250   2H5*    U  24          2H5*        U  24   9.310  34.554  -0.437
  251    H4*    U  24           H4*        U  24  11.448  35.423   0.953
  252    H3*    U  24           H3*        U  24   9.538  33.424   1.287
  253    H2*    U  24           H2*        U  24   8.122  34.451   2.811
  254   2HO*    U  24          2HO*        U  24   8.627  33.453   4.595
  255    H1*    U  24           H1*        U  24  10.216  36.132   4.111
  256    H3     U  24           H3         U  24   7.104  38.702   6.013
  257    H5     U  24           H5         U  24   5.264  37.589   2.388
  258    H6     U  24           H6         U  24   7.254  36.306   1.847
  259   1H5*    A  25          1H5*        A  25  12.466  30.948  -0.086
  260   2H5*    A  25          2H5*        A  25  11.880  32.564  -0.527
  261    H4*    A  25           H4*        A  25  11.423  30.517  -2.148
  262    H3*    A  25           H3*        A  25  10.274  33.015  -1.806
  263    H2*    A  25           H2*        A  25   8.478  32.466  -0.438
  264   2HO*    A  25          2HO*        A  25   7.334  31.364  -2.798
  265    H1*    A  25           H1*        A  25   7.990  29.784  -1.663
  266    H8     A  25           H8         A  25   9.107  31.291   1.787
  267   1H6     A  25          1H6         A  25   4.135  28.357   4.009
  268   2H6     A  25          2H6         A  25   5.513  29.360   4.404
  269    H2     A  25           H2         A  25   4.310  27.642  -0.413
  270   1H5*    U  26          1H5*        U  26   9.733  28.100  -1.733
  271   2H5*    U  26          2H5*        U  26  10.671  28.016  -3.240
  272    H4*    U  26           H4*        U  26   8.687  26.223  -2.548
  273    H3*    U  26           H3*        U  26  10.460  26.485  -4.623
  274    H2*    U  26           H2*        U  26   9.271  27.921  -6.013
  275   2HO*    U  26          2HO*        U  26   9.255  25.685  -6.935
  276    H1*    U  26           H1*        U  26   6.556  26.864  -5.381
  277    H3     U  26           H3         U  26   6.697  30.592  -8.327
  278    H5     U  26           H5         U  26   6.237  31.927  -4.354
  279    H6     U  26           H6         U  26   6.771  29.683  -3.607
  280   1H5*    U  27          1H5*        U  27  10.603  22.499  -1.527
  281   2H5*    U  27          2H5*        U  27   9.086  22.797  -2.398
  282    H4*    U  27           H4*        U  27  10.408  24.844  -0.561
  283    H3*    U  27           H3*        U  27   8.654  22.484  -0.051
  284    H2*    U  27           H2*        U  27   6.868  23.641   0.767
  285   2HO*    U  27          2HO*        U  27   7.320  24.633   2.557
  286    H1*    U  27           H1*        U  27   7.591  26.324  -0.018
  287    H3     U  27           H3         U  27   3.045  25.076  -0.104
  288    H5     U  27           H5         U  27   4.668  24.596  -3.965
  289    H6     U  27           H6         U  27   6.875  24.892  -3.002
  290   1H5*    U  28          1H5*        U  28   7.459  20.942   3.343
  291   2H5*    U  28          2H5*        U  28   6.825  21.628   1.831
  292    H4*    U  28           H4*        U  28   6.031  22.727   4.558
  293    H3*    U  28           H3*        U  28   5.067  20.309   2.997
  294    H2*    U  28           H2*        U  28   2.835  20.880   3.248
  295   2HO*    U  28          2HO*        U  28   3.018  22.935   5.048
  296    H1*    U  28           H1*        U  28   3.074  23.661   3.239
  297    H3     U  28           H3         U  28   0.314  22.203  -0.125
  298    H5     U  28           H5         U  28   4.231  21.683  -1.591
  299    H6     U  28           H6         U  28   5.062  22.240   0.620
  300   1H5*    A  29          1H5*        A  29   2.844  20.793   6.065
  301   2H5*    A  29          2H5*        A  29   2.654  19.484   7.246
  302    H4*    A  29           H4*        A  29   0.431  20.263   6.791
  303    H3*    A  29           H3*        A  29   1.230  17.684   5.391
  304    H2*    A  29           H2*        A  29  -0.681  17.659   4.125
  305   2HO*    A  29          2HO*        A  29  -2.064  19.237   6.044
  306    H1*    A  29           H1*        A  29  -1.409  20.444   4.439
  307    H8     A  29           H8         A  29   1.635  19.429   2.309
  308   1H6     A  29          1H6         A  29  -2.345  19.056  -2.410
  309   2H6     A  29          2H6         A  29  -0.663  18.992  -1.934
  310    H2     A  29           H2         A  29  -4.697  19.787   1.338
  311   1H5*    U  30          1H5*        U  30  -2.655  18.002   7.745
  312   2H5*    U  30          2H5*        U  30  -3.185  16.420   8.353
  313    H4*    U  30           H4*        U  30  -4.984  17.850   7.188
  314    H3*    U  30           H3*        U  30  -4.232  14.991   6.686
  315    H2*    U  30           H2*        U  30  -5.401  14.792   4.732
  316   2HO*    U  30          2HO*        U  30  -7.410  15.588   4.508
  317    H1*    U  30           H1*        U  30  -5.655  17.550   4.018
  318    H3     U  30           H3         U  30  -4.503  15.387   0.213
  319    H5     U  30           H5         U  30  -1.046  15.146   2.613
  320    H6     U  30           H6         U  30  -2.319  16.134   4.429
  321   1H5*    C  31          1H5*        C  31  -6.844  11.464   7.493
  322   2H5*    C  31          2H5*        C  31  -5.693  12.381   6.503
  323    H4*    C  31           H4*        C  31  -8.621  12.105   5.715
  324    H3*    C  31           H3*        C  31  -6.338  10.160   5.538
  325    H2*    C  31           H2*        C  31  -6.457   9.885   3.267
  326   2HO*    C  31          2HO*        C  31  -9.208  10.380   3.693
  327    H1*    C  31           H1*        C  31  -7.739  12.298   2.512
  328   1H4     C  31          1H4         C  31  -1.966  12.333  -0.134
  329   2H4     C  31          2H4         C  31  -1.195  12.365   1.436
  330    H5     C  31           H5         C  31  -2.418  12.276   3.510
  331    H6     C  31           H6         C  31  -4.646  12.136   4.524
  332   1H5*    A  32          1H5*        A  32  -8.599   6.231   2.849
  333   2H5*    A  32          2H5*        A  32  -7.247   7.379   2.954
  334    H4*    A  32           H4*        A  32  -9.716   8.184   1.412
  335    H3*    A  32           H3*        A  32  -7.787   5.983   0.738
  336    H2*    A  32           H2*        A  32  -7.133   6.875  -1.263
  337   2HO*    A  32          2HO*        A  32  -8.695   8.376  -2.374
  338    H1*    A  32           H1*        A  32  -7.867   9.603  -0.872
  339    H8     A  32           H8         A  32  -5.216   9.406   1.494
  340   1H6     A  32          1H6         A  32  -1.097   8.463  -3.029
  341   2H6     A  32          2H6         A  32  -1.316   8.895  -1.348
  342    H2     A  32           H2         A  32  -5.194   7.770  -4.708
  343   1H5*    A  33          1H5*        A  33  -8.124   2.651  -1.622
  344   2H5*    A  33          2H5*        A  33  -7.223   4.034  -0.968
  345    H4*    A  33           H4*        A  33  -7.970   3.897  -3.911
  346    H3*    A  33           H3*        A  33  -5.965   2.305  -2.373
  347    H2*    A  33           H2*        A  33  -4.099   3.053  -3.482
  348   2HO*    A  33          2HO*        A  33  -4.650   4.149  -5.701
  349    H1*    A  33           H1*        A  33  -4.909   5.574  -4.361
  350    H8     A  33           H8         A  33  -5.520   5.401  -0.671
  351   1H6     A  33          1H6         A  33   0.558   6.185   0.151
  352   2H6     A  33          2H6         A  33  -1.009   6.148   0.928
  353    H2     A  33           H2         A  33  -0.163   5.381  -4.201
  354   1H5*    U  34          1H5*        U  34  -5.981   0.621  -6.433
  355   2H5*    U  34          2H5*        U  34  -5.381  -1.047  -6.514
  356    H4*    U  34           H4*        U  34  -3.898   0.930  -7.470
  357    H3*    U  34           H3*        U  34  -3.229  -1.584  -5.986
  358    H2*    U  34           H2*        U  34  -1.102  -0.951  -5.409
  359   2HO*    U  34          2HO*        U  34   0.010  -0.456  -7.134
  360    H1*    U  34           H1*        U  34  -1.316   1.851  -5.424
  361    H3     U  34           H3         U  34   0.463  -0.046  -1.572
  362    H5     U  34           H5         U  34  -3.696   0.307  -0.979
  363    H6     U  34           H6         U  34  -3.918   0.846  -3.336
  364   1H5*    G  35          1H5*        G  35  -2.109  -5.232  -7.232
  365   2H5*    G  35          2H5*        G  35  -2.293  -4.726  -5.540
  366    H4*    G  35           H4*        G  35  -0.306  -3.595  -7.564
  367    H3*    G  35           H3*        G  35  -0.239  -5.673  -5.420
  368    H2*    G  35           H2*        G  35   1.371  -4.703  -4.120
  369   2HO*    G  35          2HO*        G  35   2.426  -3.165  -6.246
  370    H1*    G  35           H1*        G  35   1.249  -2.008  -4.918
  371    H8     G  35           H8         G  35  -2.097  -2.680  -3.569
  372    H1     G  35           H1         G  35   2.368  -2.964   1.029
  373   1H2     G  35          1H2         G  35   4.376  -3.071   0.131
  374   2H2     G  35          2H2         G  35   4.633  -3.069  -1.599
  375   1H5*    G  36          1H5*        G  36   2.650  -8.405  -4.530
  376   2H5*    G  36          2H5*        G  36   1.127  -7.608  -4.095
  377    H4*    G  36           H4*        G  36   3.726  -6.570  -2.937
  378    H3*    G  36           H3*        G  36   2.504  -9.245  -2.458
  379    H2*    G  36           H2*        G  36   1.928  -8.946  -0.266
  380   2HO*    G  36          2HO*        G  36   3.772  -6.847   0.150
  381    H1*    G  36           H1*        G  36   1.767  -6.160  -0.032
  382    H8     G  36           H8         G  36  -0.706  -6.721  -2.601
  383    H1     G  36           H1         G  36  -2.435  -9.763   2.774
  384   1H2     G  36          1H2         G  36  -0.737  -9.881   4.165
  385   2H2     G  36          2H2         G  36   0.838  -9.218   3.788
  386   1H5*    A  37          1H5*        A  37   5.759 -11.608  -0.228
  387   2H5*    A  37          2H5*        A  37   4.606 -12.909  -0.590
  388    H4*    A  37           H4*        A  37   4.355 -10.705   1.492
  389    H3*    A  37           H3*        A  37   5.346 -13.309   1.616
  390    H2*    A  37           H2*        A  37   3.470 -14.582   1.234
  391   2HO*    A  37          2HO*        A  37   2.190 -14.834   3.143
  392    H1*    A  37           H1*        A  37   1.389 -12.739   2.192
  393    H8     A  37           H8         A  37   2.318 -12.941  -1.515
  394   1H6     A  37          1H6         A  37  -2.307 -17.019  -2.013
  395   2H6     A  37          2H6         A  37  -1.147 -16.042  -2.885
  396    H2     A  37           H2         A  37  -1.626 -16.216   2.344
  397   1H5*    U  38          1H5*        U  38   3.381 -13.040   5.994
  398   2H5*    U  38          2H5*        U  38   4.596 -13.883   6.974
  399    H4*    U  38           H4*        U  38   2.128 -14.757   7.042
  400    H3*    U  38           H3*        U  38   4.599 -15.952   7.476
  401    H2*    U  38           H2*        U  38   4.844 -17.268   5.607
  402   2HO*    U  38          2HO*        U  38   2.858 -18.996   5.902
  403    H1*    U  38           H1*        U  38   2.001 -17.588   4.882
  404    H3     U  38           H3         U  38   3.167 -18.457   0.681
  405    H5     U  38           H5         U  38   6.092 -15.662   1.866
  406    H6     U  38           H6         U  38   5.029 -15.577   4.047
  407   1H5*    G  39          1H5*        G  39   1.415 -19.885   7.518
  408   2H5*    G  39          2H5*        G  39   1.122 -19.971   5.770
  409    H4*    G  39           H4*        G  39  -0.855 -19.304   7.982
  410    H3*    G  39           H3*        G  39  -0.348 -21.524   6.052
  411    H2*    G  39           H2*        G  39  -2.414 -21.538   5.051
  412   2HO*    G  39          2HO*        G  39  -3.556 -20.147   7.258
  413    H1*    G  39           H1*        G  39  -3.260 -18.917   5.328
  414    H8     G  39           H8         G  39  -0.171 -18.106   3.768
  415    H1     G  39           H1         G  39  -3.452 -22.025  -0.104
  416   1H2     G  39          1H2         G  39  -5.083 -23.002   1.002
  417   2H2     G  39          2H2         G  39  -5.376 -22.709   2.702
  418   1H5*    U  40          1H5*        U  40  -2.901 -24.213   8.580
  419   2H5*    U  40          2H5*        U  40  -2.051 -25.735   8.253
  420    H4*    U  40           H4*        U  40  -4.419 -25.276   7.149
  421    H3*    U  40           H3*        U  40  -1.922 -26.597   6.114
  422    H2*    U  40           H2*        U  40  -2.639 -26.671   3.935
  423   2HO*    U  40          2HO*        U  40  -4.519 -27.623   3.786
  424    H1*    U  40           H1*        U  40  -4.388 -24.466   3.893
  425    H3     U  40           H3         U  40  -1.286 -24.234   0.511
  426    H5     U  40           H5         U  40   0.626 -22.686   3.935
  427    H6     U  40           H6         U  40  -1.262 -23.452   5.253
  428   1H5*    C  41          1H5*        C  41  -4.222 -30.989   6.108
  429   2H5*    C  41          2H5*        C  41  -2.585 -31.664   6.227
  430    H4*    C  41           H4*        C  41  -4.131 -32.113   4.074
  431    H3*    C  41           H3*        C  41  -1.157 -31.723   4.424
  432    H2*    C  41           H2*        C  41  -0.766 -31.651   2.148
  433   2HO*    C  41          2HO*        C  41  -1.686 -33.248   1.114
  434    H1*    C  41           H1*        C  41  -3.141 -30.453   1.301
  435   1H4     C  41          1H4         C  41   1.667 -26.285   0.856
  436   2H4     C  41          2H4         C  41   1.580 -25.964   2.574
  437    H5     C  41           H5         C  41   0.092 -27.146   4.065
  438    H6     C  41           H6         C  41  -1.619 -28.900   4.224
  439   1H5*    U  42          1H5*        U  42  -0.791 -35.597   2.297
  440   2H5*    U  42          2H5*        U  42   0.948 -35.875   2.482
  441    H4*    U  42           H4*        U  42  -0.215 -34.830   0.218
  442    H3*    U  42           H3*        U  42   2.552 -34.780   1.423
  443    H2*    U  42           H2*        U  42   3.259 -33.044   0.116
  444   2HO*    U  42          2HO*        U  42   1.621 -34.314  -1.762
  445    H1*    U  42           H1*        U  42   0.723 -31.930  -0.612
  446    H3     U  42           H3         U  42   3.557 -28.508   0.426
  447    H5     U  42           H5         U  42   2.376 -30.134   4.133
  448    H6     U  42           H6         U  42   1.335 -31.963   2.921
  449   1H5*    C  43          1H5*        C  43   5.242 -37.685   1.619
  450   2H5*    C  43          2H5*        C  43   5.246 -36.148   2.512
  451    H4*    C  43           H4*        C  43   5.469 -36.537  -0.504
  452    H3*    C  43           H3*        C  43   7.287 -36.041   1.743
  453    H2*    C  43           H2*        C  43   7.965 -33.959   1.207
  454   2HO*    C  43          2HO*        C  43   8.604 -33.450  -0.879
  455    H1*    C  43           H1*        C  43   6.121 -33.261  -0.887
  456   1H4     C  43          1H4         C  43   6.215 -28.674   3.572
  457   2H4     C  43          2H4         C  43   5.004 -29.558   4.471
  458    H5     C  43           H5         C  43   4.244 -31.756   3.854
  459    H6     C  43           H6         C  43   4.482 -33.589   2.243
  460    H3T    C  43           H3T        C  43   8.543 -36.303  -0.501
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  14.025 -24.277  -1.818
    2   2H5*    G   1          2H5*        G   1  13.305 -25.144  -0.446
    3    H4*    G   1           H4*        G   1  13.569 -26.348  -3.238
    4    H3*    G   1           H3*        G   1  11.735 -24.283  -2.223
    5    H2*    G   1           H2*        G   1  10.051 -25.635  -1.510
    6   2HO*    G   1          2HO*        G   1   9.230 -25.353  -3.598
    7    H1*    G   1           H1*        G   1  11.016 -28.134  -2.811
    8    H8     G   1           H8         G   1  10.847 -26.586   0.791
    9    H1     G   1           H1         G   1   7.477 -31.959  -0.172
   10   1H2     G   1          1H2         G   1   7.698 -32.631  -2.258
   11   2H2     G   1          2H2         G   1   8.672 -31.764  -3.427
   12    H5T    G   1           H5T        G   1  16.230 -24.732  -3.667
   13   1H5*    A   2          1H5*        A   2  10.376 -26.471  -7.524
   14   2H5*    A   2          2H5*        A   2   9.299 -25.159  -7.008
   15    H4*    A   2           H4*        A   2   8.343 -27.403  -8.141
   16    H3*    A   2           H3*        A   2   7.279 -25.506  -6.080
   17    H2*    A   2           H2*        A   2   5.615 -26.912  -5.372
   18   2HO*    A   2          2HO*        A   2   4.839 -28.612  -6.898
   19    H1*    A   2           H1*        A   2   6.687 -29.421  -6.176
   20    H8     A   2           H8         A   2   8.791 -27.511  -3.640
   21   1H6     A   2          1H6         A   2   5.089 -29.910   0.698
   22   2H6     A   2          2H6         A   2   6.554 -29.002   0.395
   23    H2     A   2           H2         A   2   3.334 -30.869  -3.314
   24   1H5*    G   3          1H5*        G   3   3.837 -26.282  -9.880
   25   2H5*    G   3          2H5*        G   3   2.498 -25.411  -9.105
   26    H4*    G   3           H4*        G   3   2.434 -28.094  -9.743
   27    H3*    G   3           H3*        G   3   0.911 -26.286  -7.877
   28    H2*    G   3           H2*        G   3   0.064 -28.010  -6.587
   29   2HO*    G   3          2HO*        G   3   0.765 -29.816  -8.688
   30    H1*    G   3           H1*        G   3   2.150 -29.802  -6.644
   31    H8     G   3           H8         G   3   3.577 -26.357  -6.028
   32    H1     G   3           H1         G   3   0.609 -28.794  -0.889
   33   1H2     G   3          1H2         G   3  -0.508 -30.605  -1.440
   34   2H2     G   3          2H2         G   3  -0.532 -31.237  -3.070
   35   1H5*    A   4          1H5*        A   4  -2.872 -28.242 -10.026
   36   2H5*    A   4          2H5*        A   4  -3.887 -26.787  -9.989
   37    H4*    A   4           H4*        A   4  -4.703 -28.943  -8.716
   38    H3*    A   4           H3*        A   4  -4.884 -26.069  -8.120
   39    H2*    A   4           H2*        A   4  -5.155 -26.228  -5.862
   40   2HO*    A   4          2HO*        A   4  -6.216 -28.087  -4.935
   41    H1*    A   4           H1*        A   4  -4.086 -28.766  -5.283
   42    H8     A   4           H8         A   4  -1.494 -26.566  -6.929
   43   1H6     A   4          1H6         A   4  -0.753 -23.823  -1.428
   44   2H6     A   4          2H6         A   4  -0.125 -23.983  -3.054
   45    H2     A   4           H2         A   4  -4.356 -26.477  -1.187
   46   1H5*    C   5          1H5*        C   5  -9.116 -24.125  -7.483
   47   2H5*    C   5          2H5*        C   5  -7.357 -24.177  -7.248
   48    H4*    C   5           H4*        C   5  -9.344 -25.296  -5.222
   49    H3*    C   5           H3*        C   5  -8.262 -22.527  -5.746
   50    H2*    C   5           H2*        C   5  -7.505 -22.195  -3.606
   51   2HO*    C   5          2HO*        C   5  -8.487 -23.703  -1.887
   52    H1*    C   5           H1*        C   5  -7.102 -24.874  -2.797
   53   1H4     C   5          1H4         C   5  -1.355 -22.174  -2.992
   54   2H4     C   5          2H4         C   5  -1.475 -21.929  -4.719
   55    H5     C   5           H5         C   5  -3.439 -22.496  -6.000
   56    H6     C   5           H6         C   5  -5.707 -23.420  -5.897
   57   1H5*    U   6          1H5*        U   6 -11.829 -23.172  -2.624
   58   2H5*    U   6          2H5*        U   6 -12.547 -21.588  -2.278
   59    H4*    U   6           H4*        U   6 -11.940 -23.107  -0.249
   60    H3*    U   6           H3*        U   6 -11.592 -20.194  -0.729
   61    H2*    U   6           H2*        U   6  -9.938 -19.822   0.793
   62   2HO*    U   6          2HO*        U   6 -11.346 -20.537   2.504
   63    H1*    U   6           H1*        U   6  -8.843 -22.386   1.175
   64    H3     U   6           H3         U   6  -5.227 -19.858   0.279
   65    H5     U   6           H5         U   6  -7.487 -19.626  -3.273
   66    H6     U   6           H6         U   6  -9.233 -20.894  -2.164
   67   1H5*    A   7          1H5*        A   7 -12.168 -17.389   3.028
   68   2H5*    A   7          2H5*        A   7 -11.377 -17.855   1.508
   69    H4*    A   7           H4*        A   7 -10.263 -18.898   4.116
   70    H3*    A   7           H3*        A   7 -10.337 -16.050   3.173
   71    H2*    A   7           H2*        A   7  -8.074 -15.777   3.082
   72   2HO*    A   7          2HO*        A   7  -6.752 -16.509   4.658
   73    H1*    A   7           H1*        A   7  -7.213 -18.494   2.976
   74    H8     A   7           H8         A   7  -8.869 -18.076  -0.223
   75   1H6     A   7          1H6         A   7  -4.311 -14.316  -2.058
   76   2H6     A   7          2H6         A   7  -5.683 -15.273  -2.571
   77    H2     A   7           H2         A   7  -3.999 -14.818   2.386
   78   1H5*    U   8          1H5*        U   8  -8.186 -15.689   5.944
   79   2H5*    U   8          2H5*        U   8  -8.737 -15.511   7.623
   80    H4*    U   8           H4*        U   8  -6.644 -14.265   7.341
   81    H3*    U   8           H3*        U   8  -9.210 -13.096   8.083
   82    H2*    U   8           H2*        U   8  -9.084 -11.031   7.131
   83   2HO*    U   8          2HO*        U   8  -7.518  -9.810   7.824
   84    H1*    U   8           H1*        U   8  -6.971 -11.221   5.303
   85    H3     U   8           H3         U   8 -10.923  -9.447   3.612
   86    H5     U   8           H5         U   8 -10.968 -13.595   2.860
   87    H6     U   8           H6         U   8  -9.055 -13.816   4.336
   88   1H5*    C   9          1H5*        C   9  -4.377 -12.776  10.258
   89   2H5*    C   9          2H5*        C   9  -5.150 -12.552   8.674
   90    H4*    C   9           H4*        C   9  -2.969 -14.629   9.112
   91    H3*    C   9           H3*        C   9  -2.782 -11.685   9.032
   92    H2*    C   9           H2*        C   9  -1.947 -11.442   6.928
   93   2HO*    C   9          2HO*        C   9  -0.260 -13.615   7.690
   94    H1*    C   9           H1*        C   9  -1.921 -14.250   6.101
   95   1H4     C   9          1H4         C   9  -3.962 -10.435   1.326
   96   2H4     C   9          2H4         C   9  -5.557 -11.058   1.681
   97    H5     C   9           H5         C   9  -6.046 -12.425   3.596
   98    H6     C   9           H6         C   9  -5.116 -13.497   5.591
   99   1H5*    G  10          1H5*        G  10  -0.718  -9.406  11.063
  100   2H5*    G  10          2H5*        G  10  -2.169  -9.388  10.041
  101    H4*    G  10           H4*        G  10   0.521  -8.114   9.361
  102    H3*    G  10           H3*        G  10  -1.612  -7.200  10.985
  103    H2*    G  10           H2*        G  10  -3.185  -6.698   9.391
  104   2HO*    G  10          2HO*        G  10  -2.847  -4.607   9.536
  105    H1*    G  10           H1*        G  10  -1.311  -6.291   7.116
  106    H8     G  10           H8         G  10  -2.620  -9.324   6.144
  107    H1     G  10           H1         G  10  -7.533  -5.211   6.432
  108   1H2     G  10          1H2         G  10  -6.977  -3.449   7.635
  109   2H2     G  10          2H2         G  10  -5.400  -3.271   8.369
  110   1H5*    A  11          1H5*        A  11   2.609  -5.718  12.065
  111   2H5*    A  11          2H5*        A  11   3.062  -4.048  12.457
  112    H4*    A  11           H4*        A  11   4.548  -5.070  10.707
  113    H3*    A  11           H3*        A  11   2.906  -2.589  10.407
  114    H2*    A  11           H2*        A  11   2.960  -2.509   8.129
  115   2HO*    A  11          2HO*        A  11   5.106  -3.854   7.352
  116    H1*    A  11           H1*        A  11   3.775  -5.174   7.501
  117    H8     A  11           H8         A  11   0.430  -3.871   9.058
  118   1H6     A  11          1H6         A  11  -1.850  -4.680   3.362
  119   2H6     A  11          2H6         A  11  -2.221  -4.214   5.007
  120    H2     A  11           H2         A  11   2.515  -5.687   3.273
  121   1H5*    C  12          1H5*        C  12   7.821  -1.692  10.250
  122   2H5*    C  12          2H5*        C  12   8.011   0.048   9.949
  123    H4*    C  12           H4*        C  12   9.291  -1.600   8.385
  124    H3*    C  12           H3*        C  12   7.757   0.888   7.828
  125    H2*    C  12           H2*        C  12   7.390   0.521   5.601
  126   2HO*    C  12          2HO*        C  12   9.435   0.454   4.855
  127    H1*    C  12           H1*        C  12   7.640  -2.269   5.390
  128   1H4     C  12          1H4         C  12   1.559  -0.939   4.175
  129   2H4     C  12          2H4         C  12   1.330  -0.279   5.778
  130    H5     C  12           H5         C  12   3.102  -0.101   7.398
  131    H6     C  12           H6         C  12   5.478  -0.517   7.831
  132   1H5*    A  13          1H5*        A  13   9.377   4.471   6.425
  133   2H5*    A  13          2H5*        A  13   7.613   4.308   6.550
  134    H4*    A  13           H4*        A  13   9.474   2.662   4.780
  135    H3*    A  13           H3*        A  13   7.962   5.129   4.469
  136    H2*    A  13           H2*        A  13   6.095   4.308   3.466
  137   2HO*    A  13          2HO*        A  13   7.010   2.728   1.541
  138    H1*    A  13           H1*        A  13   6.998   1.523   3.056
  139    H8     A  13           H8         A  13   5.070   2.588   6.184
  140   1H6     A  13          1H6         A  13  -0.045   0.972   3.114
  141   2H6     A  13          2H6         A  13   0.614   1.468   4.655
  142    H2     A  13           H2         A  13   3.400   0.812   0.249
  143   1H5*    U  14          1H5*        U  14   9.474   3.804   0.317
  144   2H5*    U  14          2H5*        U  14   9.961   5.256  -0.581
  145    H4*    U  14           H4*        U  14   8.302   3.755  -1.804
  146    H3*    U  14           H3*        U  14   8.078   6.687  -1.237
  147    H2*    U  14           H2*        U  14   5.826   6.855  -1.480
  148   2HO*    U  14          2HO*        U  14   5.302   4.875  -3.287
  149    H1*    U  14           H1*        U  14   5.137   4.036  -1.606
  150    H3     U  14           H3         U  14   1.629   6.092   0.413
  151    H5     U  14           H5         U  14   4.763   6.372   3.217
  152    H6     U  14           H6         U  14   6.259   5.465   1.534
  153   1H5*    U  15          1H5*        U  15   6.830   5.704  -4.636
  154   2H5*    U  15          2H5*        U  15   7.151   6.140  -6.327
  155    H4*    U  15           H4*        U  15   4.741   6.398  -5.776
  156    H3*    U  15           H3*        U  15   6.506   8.318  -6.978
  157    H2*    U  15           H2*        U  15   6.129  10.117  -5.624
  158   2HO*    U  15          2HO*        U  15   3.573   9.692  -6.775
  159    H1*    U  15           H1*        U  15   3.627   9.170  -4.345
  160    H3     U  15           H3         U  15   4.764  12.780  -1.824
  161    H5     U  15           H5         U  15   7.856   9.996  -1.148
  162    H6     U  15           H6         U  15   6.886   8.598  -2.878
  163   1H5*    U  16          1H5*        U  16   2.744   7.118  -7.974
  164   2H5*    U  16          2H5*        U  16   2.241   6.492  -9.557
  165    H4*    U  16           H4*        U  16   0.266   7.716  -9.562
  166    H3*    U  16           H3*        U  16   2.037   9.793  -8.378
  167    H2*    U  16           H2*        U  16   0.759  10.359  -6.590
  168   2HO*    U  16          2HO*        U  16  -1.739  10.207  -7.179
  169    H1*    U  16           H1*        U  16  -1.317   8.347  -6.750
  170    H3     U  16           H3         U  16  -0.589   9.504  -2.369
  171    H5     U  16           H5         U  16   2.566   6.909  -3.407
  172    H6     U  16           H6         U  16   1.828   7.045  -5.717
  173   1H5*    G  17          1H5*        G  17  -1.472  14.122 -10.046
  174   2H5*    G  17          2H5*        G  17  -0.872  13.328  -8.578
  175    H4*    G  17           H4*        G  17  -3.410  12.433 -10.009
  176    H3*    G  17           H3*        G  17  -2.855  14.764  -8.229
  177    H2*    G  17           H2*        G  17  -4.235  14.153  -6.513
  178   2HO*    G  17          2HO*        G  17  -6.235  13.836  -7.052
  179    H1*    G  17           H1*        G  17  -4.482  11.375  -6.911
  180    H8     G  17           H8         G  17  -0.867  12.122  -6.399
  181    H1     G  17           H1         G  17  -4.276  12.698  -0.996
  182   1H2     G  17          1H2         G  17  -6.431  12.709  -1.457
  183   2H2     G  17          2H2         G  17  -7.043  12.571  -3.090
  184   1H5*    A  18          1H5*        A  18  -7.150  15.888  -9.882
  185   2H5*    A  18          2H5*        A  18  -7.214  17.643  -9.616
  186    H4*    A  18           H4*        A  18  -8.842  16.149  -8.233
  187    H3*    A  18           H3*        A  18  -7.094  18.440  -7.398
  188    H2*    A  18           H2*        A  18  -7.291  18.078  -5.136
  189   2HO*    A  18          2HO*        A  18  -9.532  16.380  -5.365
  190    H1*    A  18           H1*        A  18  -7.712  15.321  -5.051
  191    H8     A  18           H8         A  18  -4.747  16.935  -6.994
  192   1H6     A  18          1H6         A  18  -1.529  16.068  -1.784
  193   2H6     A  18          2H6         A  18  -1.461  16.607  -3.447
  194    H2     A  18           H2         A  18  -5.768  14.820  -1.028
  195   1H5*    U  19          1H5*        U  19 -11.206  18.845  -4.699
  196   2H5*    U  19          2H5*        U  19 -11.257  20.600  -4.956
  197    H4*    U  19           H4*        U  19 -11.332  19.864  -2.511
  198    H3*    U  19           H3*        U  19  -9.327  21.769  -3.763
  199    H2*    U  19           H2*        U  19  -8.127  21.991  -1.784
  200   2HO*    U  19          2HO*        U  19  -9.868  20.669  -0.085
  201    H1*    U  19           H1*        U  19  -8.444  19.426  -0.771
  202    H3     U  19           H3         U  19  -4.021  19.331  -1.413
  203    H5     U  19           H5         U  19  -5.483  20.369  -5.228
  204    H6     U  19           H6         U  19  -7.726  20.349  -4.300
  205   1H5*    A  20          1H5*        A  20 -10.613  24.978  -0.255
  206   2H5*    A  20          2H5*        A  20  -9.890  26.257  -1.249
  207    H4*    A  20           H4*        A  20  -8.863  25.390   1.163
  208    H3*    A  20           H3*        A  20  -7.810  26.882  -1.226
  209    H2*    A  20           H2*        A  20  -5.633  26.310  -0.892
  210   2HO*    A  20          2HO*        A  20  -5.223  25.914   1.649
  211    H1*    A  20           H1*        A  20  -6.008  24.238   1.112
  212    H8     A  20           H8         A  20  -6.762  23.526  -2.582
  213   1H6     A  20          1H6         A  20  -0.859  21.685  -2.961
  214   2H6     A  20          2H6         A  20  -2.396  21.759  -3.794
  215    H2     A  20           H2         A  20  -1.476  23.572   1.051
  216   1H5*    C  21          1H5*        C  21  -6.525  27.558   2.878
  217   2H5*    C  21          2H5*        C  21  -6.509  29.265   3.369
  218    H4*    C  21           H4*        C  21  -4.660  28.235   4.510
  219    H3*    C  21           H3*        C  21  -4.078  29.980   2.134
  220    H2*    C  21           H2*        C  21  -1.969  29.213   1.743
  221   2HO*    C  21          2HO*        C  21  -1.739  28.809   4.559
  222    H1*    C  21           H1*        C  21  -1.997  26.842   3.394
  223   1H4     C  21          1H4         C  21  -0.057  24.971  -2.351
  224   2H4     C  21          2H4         C  21  -1.590  25.418  -3.064
  225    H5     C  21           H5         C  21  -3.365  26.482  -1.821
  226    H6     C  21           H6         C  21  -4.043  27.346   0.372
  227   1H5*    A  22          1H5*        A  22  -2.623  33.932   2.135
  228   2H5*    A  22          2H5*        A  22  -2.573  32.894   0.695
  229    H4*    A  22           H4*        A  22  -1.046  32.458   3.305
  230    H3*    A  22           H3*        A  22  -0.485  33.819   0.749
  231    H2*    A  22           H2*        A  22   1.073  32.408  -0.140
  232   2HO*    A  22          2HO*        A  22   1.795  31.735   2.543
  233    H1*    A  22           H1*        A  22   0.663  30.002   1.201
  234    H8     A  22           H8         A  22  -2.613  30.248  -0.180
  235   1H6     A  22          1H6         A  22  -0.348  29.982  -5.934
  236   2H6     A  22          2H6         A  22  -1.788  29.858  -4.948
  237    H2     A  22           H2         A  22   3.047  30.838  -3.140
  238   1H5*    C  23          1H5*        C  23   3.241  32.856   0.349
  239   2H5*    C  23          2H5*        C  23   4.097  34.307   0.904
  240    H4*    C  23           H4*        C  23   4.867  34.081  -1.314
  241    H3*    C  23           H3*        C  23   2.901  36.131  -0.719
  242    H2*    C  23           H2*        C  23   1.455  35.837  -2.449
  243   2HO*    C  23          2HO*        C  23   3.205  37.241  -3.428
  244    H1*    C  23           H1*        C  23   3.109  34.005  -4.084
  245   1H4     C  23          1H4         C  23  -2.771  32.059  -5.391
  246   2H4     C  23          2H4         C  23  -3.310  32.382  -3.759
  247    H5     C  23           H5         C  23  -1.869  33.253  -2.040
  248    H6     C  23           H6         C  23   0.403  34.003  -1.513
  249   1H5*    U  24          1H5*        U  24   7.328  37.574  -2.812
  250   2H5*    U  24          2H5*        U  24   6.877  36.487  -1.480
  251    H4*    U  24           H4*        U  24   9.014  38.596  -1.581
  252    H3*    U  24           H3*        U  24   8.934  35.828  -1.359
  253    H2*    U  24           H2*        U  24   8.030  35.598   0.765
  254   2HO*    U  24          2HO*        U  24  10.116  34.875   1.144
  255    H1*    U  24           H1*        U  24   9.243  38.074   1.906
  256    H3     U  24           H3         U  24   6.609  37.388   5.461
  257    H5     U  24           H5         U  24   3.960  36.882   2.221
  258    H6     U  24           H6         U  24   5.846  37.170   0.720
  259   1H5*    A  25          1H5*        A  25   9.502  33.804  -0.946
  260   2H5*    A  25          2H5*        A  25  11.033  33.031  -1.407
  261    H4*    A  25           H4*        A  25  10.183  32.430  -3.574
  262    H3*    A  25           H3*        A  25   8.853  34.866  -3.418
  263    H2*    A  25           H2*        A  25   7.080  34.297  -2.029
  264   2HO*    A  25          2HO*        A  25   5.304  33.358  -3.349
  265    H1*    A  25           H1*        A  25   6.770  31.512  -3.064
  266    H8     A  25           H8         A  25   7.710  33.419   0.239
  267   1H6     A  25          1H6         A  25   3.096  30.147   2.740
  268   2H6     A  25          2H6         A  25   4.342  31.340   3.034
  269    H2     A  25           H2         A  25   3.400  29.035  -1.590
  270   1H5*    U  26          1H5*        U  26   8.460  29.789  -3.162
  271   2H5*    U  26          2H5*        U  26   9.424  29.720  -4.654
  272    H4*    U  26           H4*        U  26   7.607  27.831  -4.123
  273    H3*    U  26           H3*        U  26   8.900  28.796  -6.482
  274    H2*    U  26           H2*        U  26   7.075  29.621  -7.608
  275   2HO*    U  26          2HO*        U  26   7.116  27.807  -8.800
  276    H1*    U  26           H1*        U  26   5.037  28.015  -6.118
  277    H3     U  26           H3         U  26   2.575  30.775  -8.845
  278    H5     U  26           H5         U  26   4.261  33.276  -5.898
  279    H6     U  26           H6         U  26   5.604  31.394  -5.163
  280   1H5*    U  27          1H5*        U  27   9.459  24.592  -3.294
  281   2H5*    U  27          2H5*        U  27   8.045  25.300  -4.100
  282    H4*    U  27           H4*        U  27   9.505  26.939  -2.024
  283    H3*    U  27           H3*        U  27   7.967  24.396  -1.574
  284    H2*    U  27           H2*        U  27   6.367  25.336  -0.241
  285   2HO*    U  27          2HO*        U  27   8.533  26.933   0.643
  286    H1*    U  27           H1*        U  27   6.757  28.114  -0.874
  287    H3     U  27           H3         U  27   2.360  26.557  -0.287
  288    H5     U  27           H5         U  27   3.286  26.442  -4.397
  289    H6     U  27           H6         U  27   5.609  26.839  -3.818
  290   1H5*    U  28          1H5*        U  28   7.343  22.496   1.974
  291   2H5*    U  28          2H5*        U  28   6.604  23.164   0.503
  292    H4*    U  28           H4*        U  28   5.975  24.380   3.210
  293    H3*    U  28           H3*        U  28   5.074  21.748   2.042
  294    H2*    U  28           H2*        U  28   2.835  22.187   2.395
  295   2HO*    U  28          2HO*        U  28   2.797  22.686   4.529
  296    H1*    U  28           H1*        U  28   2.853  24.978   2.129
  297    H3     U  28           H3         U  28   0.081  22.268  -0.595
  298    H5     U  28           H5         U  28   3.481  23.408  -2.810
  299    H6     U  28           H6         U  28   4.471  24.219  -0.748
  300   1H5*    A  29          1H5*        A  29   3.408  21.301   6.250
  301   2H5*    A  29          2H5*        A  29   3.365  19.537   6.441
  302    H4*    A  29           H4*        A  29   1.094  20.849   6.434
  303    H3*    A  29           H3*        A  29   1.851  18.310   4.975
  304    H2*    A  29           H2*        A  29  -0.113  18.281   3.784
  305   2HO*    A  29          2HO*        A  29  -1.684  19.947   5.289
  306    H1*    A  29           H1*        A  29  -0.809  21.064   4.056
  307    H8     A  29           H8         A  29   2.266  20.037   1.978
  308   1H6     A  29          1H6         A  29  -1.653  19.568  -2.782
  309   2H6     A  29          2H6         A  29   0.024  19.523  -2.285
  310    H2     A  29           H2         A  29  -4.055  20.338   0.926
  311   1H5*    U  30          1H5*        U  30  -2.091  18.417   7.485
  312   2H5*    U  30          2H5*        U  30  -2.521  16.747   7.903
  313    H4*    U  30           H4*        U  30  -4.381  18.219   6.847
  314    H3*    U  30           H3*        U  30  -3.505  15.427   6.110
  315    H2*    U  30           H2*        U  30  -4.788  15.337   4.200
  316   2HO*    U  30          2HO*        U  30  -6.778  16.130   4.126
  317    H1*    U  30           H1*        U  30  -4.936  18.085   3.574
  318    H3     U  30           H3         U  30  -3.514  16.000  -0.181
  319    H5     U  30           H5         U  30  -0.223  15.739   2.439
  320    H6     U  30           H6         U  30  -1.622  16.687   4.183
  321   1H5*    C  31          1H5*        C  31  -8.502  14.420   6.758
  322   2H5*    C  31          2H5*        C  31  -7.976  12.744   7.007
  323    H4*    C  31           H4*        C  31  -9.645  13.385   5.011
  324    H3*    C  31           H3*        C  31  -7.459  11.349   5.304
  325    H2*    C  31           H2*        C  31  -7.284  10.902   3.060
  326   2HO*    C  31          2HO*        C  31  -9.977  11.166   3.226
  327    H1*    C  31           H1*        C  31  -8.198  13.320   1.951
  328   1H4     C  31          1H4         C  31  -2.025  12.988   0.546
  329   2H4     C  31          2H4         C  31  -1.586  12.864   2.235
  330    H5     C  31           H5         C  31  -3.205  12.814   4.017
  331    H6     C  31           H6         C  31  -5.594  12.868   4.565
  332   1H5*    A  32          1H5*        A  32  -9.260   7.306   2.561
  333   2H5*    A  32          2H5*        A  32  -7.883   8.284   3.109
  334    H4*    A  32           H4*        A  32  -9.590   9.295   0.827
  335    H3*    A  32           H3*        A  32  -7.819   6.879   0.857
  336    H2*    A  32           H2*        A  32  -6.404   7.610  -0.780
  337   2HO*    A  32          2HO*        A  32  -8.344   9.383  -1.847
  338    H1*    A  32           H1*        A  32  -6.886  10.417  -0.683
  339    H8     A  32           H8         A  32  -5.313   9.970   2.498
  340   1H6     A  32          1H6         A  32   0.020   8.464  -0.260
  341   2H6     A  32          2H6         A  32  -0.739   8.948   1.240
  342    H2     A  32           H2         A  32  -3.248   8.226  -3.318
  343   1H5*    A  33          1H5*        A  33  -7.940   3.386  -1.453
  344   2H5*    A  33          2H5*        A  33  -7.241   4.784  -0.611
  345    H4*    A  33           H4*        A  33  -7.232   4.722  -3.636
  346    H3*    A  33           H3*        A  33  -5.742   2.911  -1.765
  347    H2*    A  33           H2*        A  33  -3.634   3.533  -2.446
  348   2HO*    A  33          2HO*        A  33  -4.951   3.979  -4.889
  349    H1*    A  33           H1*        A  33  -4.061   6.149  -3.313
  350    H8     A  33           H8         A  33  -5.433   5.770   0.171
  351   1H6     A  33          1H6         A  33   0.381   6.190   2.231
  352   2H6     A  33          2H6         A  33  -1.309   6.174   2.680
  353    H2     A  33           H2         A  33   0.518   5.744  -2.227
  354   1H5*    U  34          1H5*        U  34  -4.379   1.965  -5.514
  355   2H5*    U  34          2H5*        U  34  -3.694   0.340  -5.710
  356    H4*    U  34           H4*        U  34  -2.105   2.486  -5.604
  357    H3*    U  34           H3*        U  34  -1.820  -0.330  -4.570
  358    H2*    U  34           H2*        U  34  -0.050   0.138  -3.202
  359   2HO*    U  34          2HO*        U  34   0.808   2.505  -4.352
  360    H1*    U  34           H1*        U  34  -0.380   2.955  -2.887
  361    H3     U  34           H3         U  34   0.598   0.703   1.039
  362    H5     U  34           H5         U  34  -3.589   0.569   0.570
  363    H6     U  34           H6         U  34  -3.299   1.432  -1.680
  364   1H5*    G  35          1H5*        G  35  -0.224  -3.606  -6.423
  365   2H5*    G  35          2H5*        G  35  -0.370  -2.464  -5.069
  366    H4*    G  35           H4*        G  35   2.328  -3.145  -6.304
  367    H3*    G  35           H3*        G  35   0.558  -4.731  -4.469
  368    H2*    G  35           H2*        G  35   2.007  -4.807  -2.706
  369   2HO*    G  35          2HO*        G  35   4.435  -4.398  -3.526
  370    H1*    G  35           H1*        G  35   3.734  -2.634  -3.318
  371    H8     G  35           H8         G  35  -0.027  -2.079  -2.617
  372    H1     G  35           H1         G  35   3.764  -1.985   2.557
  373   1H2     G  35          1H2         G  35   5.813  -2.576   2.006
  374   2H2     G  35          2H2         G  35   6.264  -2.993   0.370
  375   1H5*    G  36          1H5*        G  36   3.817  -6.363  -4.633
  376   2H5*    G  36          2H5*        G  36   4.345  -7.857  -5.431
  377    H4*    G  36           H4*        G  36   5.294  -7.581  -3.103
  378    H3*    G  36           H3*        G  36   4.069  -9.829  -4.344
  379    H2*    G  36           H2*        G  36   2.504 -10.426  -2.803
  380   2HO*    G  36          2HO*        G  36   4.319 -10.499  -0.682
  381    H1*    G  36           H1*        G  36   3.418  -8.790  -0.526
  382    H8     G  36           H8         G  36   0.777  -7.771  -3.149
  383    H1     G  36           H1         G  36  -1.598 -10.479   2.158
  384   1H2     G  36          1H2         G  36   0.034 -11.214   3.437
  385   2H2     G  36          2H2         G  36   1.719 -11.050   2.999
  386   1H5*    A  37          1H5*        A  37   7.843 -11.085   0.450
  387   2H5*    A  37          2H5*        A  37   7.986 -11.621  -1.237
  388    H4*    A  37           H4*        A  37   7.754 -13.673  -0.130
  389    H3*    A  37           H3*        A  37   5.599 -12.796  -1.654
  390    H2*    A  37           H2*        A  37   3.972 -12.307  -0.124
  391   2HO*    A  37          2HO*        A  37   3.934 -14.890  -0.582
  392    H1*    A  37           H1*        A  37   4.831 -13.814   2.208
  393    H8     A  37           H8         A  37   5.609 -10.185   0.968
  394   1H6     A  37          1H6         A  37   1.993  -8.417   5.665
  395   2H6     A  37          2H6         A  37   3.029  -7.879   4.362
  396    H2     A  37           H2         A  37   1.980 -12.897   5.510
  397   1H5*    U  38          1H5*        U  38   4.899 -17.597   1.730
  398   2H5*    U  38          2H5*        U  38   3.627 -16.826   0.762
  399    H4*    U  38           H4*        U  38   4.240 -16.315   3.707
  400    H3*    U  38           H3*        U  38   2.524 -18.157   2.280
  401    H2*    U  38           H2*        U  38   0.622 -16.910   2.102
  402   2HO*    U  38          2HO*        U  38   0.637 -16.413   4.882
  403    H1*    U  38           H1*        U  38   1.346 -14.759   4.000
  404    H3     U  38           H3         U  38  -2.148 -12.893   1.824
  405    H5     U  38           H5         U  38   0.788 -13.397  -1.159
  406    H6     U  38           H6         U  38   2.117 -14.636   0.453
  407   1H5*    G  39          1H5*        G  39   0.878 -18.860   6.727
  408   2H5*    G  39          2H5*        G  39   1.029 -20.627   6.782
  409    H4*    G  39           H4*        G  39  -1.306 -19.590   7.325
  410    H3*    G  39           H3*        G  39  -0.522 -21.948   5.652
  411    H2*    G  39           H2*        G  39  -2.486 -22.136   4.476
  412   2HO*    G  39          2HO*        G  39  -4.266 -22.150   5.593
  413    H1*    G  39           H1*        G  39  -3.414 -19.527   4.431
  414    H8     G  39           H8         G  39  -0.135 -18.867   3.130
  415    H1     G  39           H1         G  39  -3.174 -22.959  -0.761
  416   1H2     G  39          1H2         G  39  -4.936 -23.804   0.248
  417   2H2     G  39          2H2         G  39  -5.381 -23.378   1.885
  418   1H5*    U  40          1H5*        U  40  -3.027 -24.888   8.272
  419   2H5*    U  40          2H5*        U  40  -2.059 -26.261   7.701
  420    H4*    U  40           H4*        U  40  -4.596 -25.723   6.822
  421    H3*    U  40           H3*        U  40  -2.216 -27.189   5.680
  422    H2*    U  40           H2*        U  40  -3.104 -27.294   3.568
  423   2HO*    U  40          2HO*        U  40  -5.500 -27.424   4.994
  424    H1*    U  40           H1*        U  40  -4.787 -25.019   3.637
  425    H3     U  40           H3         U  40  -2.127 -24.997  -0.106
  426    H5     U  40           H5         U  40   0.272 -23.485   3.012
  427    H6     U  40           H6         U  40  -1.470 -24.130   4.575
  428   1H5*    C  41          1H5*        C  41  -4.758 -31.443   6.072
  429   2H5*    C  41          2H5*        C  41  -3.174 -32.244   6.047
  430    H4*    C  41           H4*        C  41  -4.993 -32.621   4.087
  431    H3*    C  41           H3*        C  41  -1.967 -32.562   4.137
  432    H2*    C  41           H2*        C  41  -1.797 -32.612   1.829
  433   2HO*    C  41          2HO*        C  41  -4.317 -33.842   2.012
  434    H1*    C  41           H1*        C  41  -4.026 -31.114   1.150
  435   1H4     C  41          1H4         C  41   1.344 -27.701   0.481
  436   2H4     C  41          2H4         C  41   1.221 -27.180   2.146
  437    H5     C  41           H5         C  41  -0.466 -28.009   3.666
  438    H6     C  41           H6         C  41  -2.377 -29.530   3.913
  439   1H5*    U  42          1H5*        U  42  -2.519 -36.217   1.920
  440   2H5*    U  42          2H5*        U  42  -0.890 -36.901   1.779
  441    H4*    U  42           H4*        U  42  -2.120 -35.387  -0.174
  442    H3*    U  42           H3*        U  42   0.727 -36.155   0.486
  443    H2*    U  42           H2*        U  42   1.641 -34.498  -0.789
  444   2HO*    U  42          2HO*        U  42   0.387 -33.695  -2.681
  445    H1*    U  42           H1*        U  42  -0.625 -32.748  -1.007
  446    H3     U  42           H3         U  42   3.323 -30.443  -0.372
  447    H5     U  42           H5         U  42   1.954 -31.566   3.454
  448    H6     U  42           H6         U  42   0.308 -32.986   2.372
  449   1H5*    C  43          1H5*        C  43   2.695 -39.764  -0.728
  450   2H5*    C  43          2H5*        C  43   2.499 -38.190   0.072
  451    H4*    C  43           H4*        C  43   3.813 -38.496  -2.660
  452    H3*    C  43           H3*        C  43   4.789 -38.972   0.124
  453    H2*    C  43           H2*        C  43   6.302 -37.301   0.219
  454   2HO*    C  43          2HO*        C  43   7.579 -38.469  -1.348
  455    H1*    C  43           H1*        C  43   5.605 -35.901  -2.237
  456   1H4     C  43          1H4         C  43   5.947 -31.358   2.182
  457   2H4     C  43          2H4         C  43   4.807 -32.197   3.209
  458    H5     C  43           H5         C  43   3.866 -34.343   2.657
  459    H6     C  43           H6         C  43   3.811 -36.151   1.003
  460    H3T    C  43           H3T        C  43   6.496 -39.973  -1.108
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  14.517 -23.960  -1.657
    2   2H5*    G   1          2H5*        G   1  13.508 -24.444  -0.279
    3    H4*    G   1           H4*        G   1  14.718 -26.331  -2.356
    4    H3*    G   1           H3*        G   1  12.128 -24.868  -2.063
    5    H2*    G   1           H2*        G   1  10.807 -26.686  -1.760
    6   2HO*    G   1          2HO*        G   1  12.306 -28.268  -3.562
    7    H1*    G   1           H1*        G   1  12.901 -28.738  -1.684
    8    H8     G   1           H8         G   1  12.023 -26.736   1.454
    9    H1     G   1           H1         G   1   8.402 -31.952   0.543
   10   1H2     G   1          1H2         G   1   8.797 -32.812  -1.447
   11   2H2     G   1          2H2         G   1   9.946 -32.108  -2.564
   12    H5T    G   1           H5T        G   1  16.771 -22.164  -1.356
   13   1H5*    A   2          1H5*        A   2  11.732 -27.271  -6.899
   14   2H5*    A   2          2H5*        A   2  10.616 -25.925  -7.197
   15    H4*    A   2           H4*        A   2   9.705 -28.243  -7.775
   16    H3*    A   2           H3*        A   2   8.412 -26.196  -5.966
   17    H2*    A   2           H2*        A   2   6.832 -27.641  -5.165
   18   2HO*    A   2          2HO*        A   2   6.921 -28.562  -7.807
   19    H1*    A   2           H1*        A   2   8.093 -30.135  -5.847
   20    H8     A   2           H8         A   2   9.934 -28.225  -3.168
   21   1H6     A   2          1H6         A   2   5.831 -30.489   0.871
   22   2H6     A   2          2H6         A   2   7.340 -29.625   0.681
   23    H2     A   2           H2         A   2   4.379 -31.433  -3.264
   24   1H5*    G   3          1H5*        G   3   5.496 -27.509 -10.091
   25   2H5*    G   3          2H5*        G   3   4.012 -26.663  -9.611
   26    H4*    G   3           H4*        G   3   4.037 -29.308 -10.199
   27    H3*    G   3           H3*        G   3   2.349 -27.556  -8.427
   28    H2*    G   3           H2*        G   3   1.451 -29.290  -7.185
   29   2HO*    G   3          2HO*        G   3   0.891 -31.114  -8.104
   30    H1*    G   3           H1*        G   3   3.553 -31.055  -7.100
   31    H8     G   3           H8         G   3   4.956 -27.619  -6.432
   32    H1     G   3           H1         G   3   1.611 -29.947  -1.478
   33   1H2     G   3          1H2         G   3   0.514 -31.754  -2.078
   34   2H2     G   3          2H2         G   3   0.590 -32.408  -3.699
   35   1H5*    A   4          1H5*        A   4  -1.763 -28.659 -10.915
   36   2H5*    A   4          2H5*        A   4  -2.235 -26.994 -10.522
   37    H4*    A   4           H4*        A   4  -3.571 -29.109  -9.529
   38    H3*    A   4           H3*        A   4  -2.978 -26.346  -8.496
   39    H2*    A   4           H2*        A   4  -3.570 -26.815  -6.319
   40   2HO*    A   4          2HO*        A   4  -5.629 -27.783  -7.218
   41    H1*    A   4           H1*        A   4  -2.944 -29.526  -6.164
   42    H8     A   4           H8         A   4   0.039 -27.629  -7.493
   43   1H6     A   4          1H6         A   4   1.129 -25.838  -1.665
   44   2H6     A   4          2H6         A   4   1.759 -25.891  -3.298
   45    H2     A   4           H2         A   4  -2.897 -27.804  -1.789
   46   1H5*    C   5          1H5*        C   5  -7.983 -27.104  -7.703
   47   2H5*    C   5          2H5*        C   5  -8.268 -25.354  -7.811
   48    H4*    C   5           H4*        C   5  -9.134 -26.673  -5.691
   49    H3*    C   5           H3*        C   5  -7.894 -23.958  -6.026
   50    H2*    C   5           H2*        C   5  -7.338 -23.649  -3.816
   51   2HO*    C   5          2HO*        C   5  -9.605 -24.208  -3.224
   52    H1*    C   5           H1*        C   5  -6.902 -26.242  -2.953
   53   1H4     C   5          1H4         C   5  -1.148 -23.632  -3.603
   54   2H4     C   5          2H4         C   5  -1.343 -23.513  -5.338
   55    H5     C   5           H5         C   5  -3.363 -24.157  -6.487
   56    H6     C   5           H6         C   5  -5.631 -25.049  -6.218
   57   1H5*    U   6          1H5*        U   6  -9.910 -20.155  -4.413
   58   2H5*    U   6          2H5*        U   6  -8.601 -20.636  -3.315
   59    H4*    U   6           H4*        U   6 -11.546 -21.270  -3.163
   60    H3*    U   6           H3*        U   6  -9.397 -20.074  -1.460
   61    H2*    U   6           H2*        U   6  -9.808 -21.342   0.380
   62   2HO*    U   6          2HO*        U   6 -12.199 -20.439  -0.040
   63    H1*    U   6           H1*        U   6 -11.370 -23.461  -0.747
   64    H3     U   6           H3         U   6  -8.565 -25.544   2.121
   65    H5     U   6           H5         U   6  -5.994 -23.920  -0.800
   66    H6     U   6           H6         U   6  -7.921 -22.825  -1.787
   67   1H5*    A   7          1H5*        A   7 -11.904 -19.253   1.387
   68   2H5*    A   7          2H5*        A   7 -11.771 -17.514   1.714
   69    H4*    A   7           H4*        A   7 -11.008 -19.080   3.608
   70    H3*    A   7           H3*        A   7  -9.554 -16.773   2.343
   71    H2*    A   7           H2*        A   7  -7.522 -17.235   3.287
   72   2HO*    A   7          2HO*        A   7  -8.046 -17.027   5.411
   73    H1*    A   7           H1*        A   7  -7.877 -19.994   3.913
   74    H8     A   7           H8         A   7  -7.892 -20.093   0.311
   75   1H6     A   7          1H6         A   7  -1.914 -18.500   0.227
   76   2H6     A   7          2H6         A   7  -3.246 -19.143  -0.706
   77    H2     A   7           H2         A   7  -3.516 -17.689   4.336
   78   1H5*    U   8          1H5*        U   8 -10.187 -15.253   7.666
   79   2H5*    U   8          2H5*        U   8  -9.871 -15.067   5.929
   80    H4*    U   8           H4*        U   8  -7.776 -15.575   8.094
   81    H3*    U   8           H3*        U   8  -8.894 -13.172   6.717
   82    H2*    U   8           H2*        U   8  -6.945 -12.465   5.766
   83   2HO*    U   8          2HO*        U   8  -5.231 -13.655   7.639
   84    H1*    U   8           H1*        U   8  -5.334 -14.824   6.036
   85    H3     U   8           H3         U   8  -4.397 -13.222   1.900
   86    H5     U   8           H5         U   8  -8.341 -14.684   1.601
   87    H6     U   8           H6         U   8  -8.328 -15.017   4.003
   88   1H5*    C   9          1H5*        C   9  -8.905 -10.170  10.566
   89   2H5*    C   9          2H5*        C   9  -8.947  -9.425   8.956
   90    H4*    C   9           H4*        C   9  -6.955 -11.505   9.961
   91    H3*    C   9           H3*        C   9  -7.033  -8.626   9.974
   92    H2*    C   9           H2*        C   9  -6.155  -8.170   7.910
   93   2HO*    C   9          2HO*        C   9  -4.206  -8.446   9.397
   94    H1*    C   9           H1*        C   9  -5.050 -10.860   7.329
   95   1H4     C   9          1H4         C   9  -6.409  -8.107   1.712
   96   2H4     C   9          2H4         C   9  -8.056  -8.666   1.892
   97    H5     C   9           H5         C   9  -8.886  -9.709   3.892
   98    H6     C   9           H6         C   9  -8.323 -10.443   6.160
   99   1H5*    G  10          1H5*        G  10  -2.593  -9.509  10.345
  100   2H5*    G  10          2H5*        G  10  -2.096  -8.762  11.876
  101    H4*    G  10           H4*        G  10  -0.525  -8.133  10.085
  102    H3*    G  10           H3*        G  10  -1.941  -6.360  11.819
  103    H2*    G  10           H2*        G  10  -3.064  -5.080  10.288
  104   2HO*    G  10          2HO*        G  10  -1.876  -3.387   9.721
  105    H1*    G  10           H1*        G  10  -1.324  -5.667   7.949
  106    H8     G  10           H8         G  10  -4.026  -7.591   7.037
  107    H1     G  10           H1         G  10  -6.146  -1.554   7.481
  108   1H2     G  10          1H2         G  10  -4.732  -0.338   8.656
  109   2H2     G  10          2H2         G  10  -3.261  -0.999   9.333
  110   1H5*    A  11          1H5*        A  11   2.705  -2.792  11.955
  111   2H5*    A  11          2H5*        A  11   1.221  -2.991  11.003
  112    H4*    A  11           H4*        A  11   3.996  -4.010  10.238
  113    H3*    A  11           H3*        A  11   2.393  -1.555   9.680
  114    H2*    A  11           H2*        A  11   2.265  -1.821   7.421
  115   2HO*    A  11          2HO*        A  11   4.897  -2.799   7.753
  116    H1*    A  11           H1*        A  11   3.033  -4.566   7.143
  117    H8     A  11           H8         A  11  -0.201  -2.939   8.639
  118   1H6     A  11          1H6         A  11  -2.818  -4.662   3.301
  119   2H6     A  11          2H6         A  11  -3.086  -3.908   4.856
  120    H2     A  11           H2         A  11   1.516  -5.791   3.159
  121   1H5*    C  12          1H5*        C  12   7.309  -1.087   8.780
  122   2H5*    C  12          2H5*        C  12   7.514   0.613   8.308
  123    H4*    C  12           H4*        C  12   8.620  -1.183   6.791
  124    H3*    C  12           H3*        C  12   7.035   1.253   6.130
  125    H2*    C  12           H2*        C  12   6.472   0.670   3.989
  126   2HO*    C  12          2HO*        C  12   8.772   0.454   3.482
  127    H1*    C  12           H1*        C  12   6.658  -2.126   4.047
  128   1H4     C  12          1H4         C  12   0.493  -0.801   3.383
  129   2H4     C  12          2H4         C  12   0.457   0.052   4.911
  130    H5     C  12           H5         C  12   2.405   0.374   6.288
  131    H6     C  12           H6         C  12   4.809  -0.053   6.499
  132   1H5*    A  13          1H5*        A  13  10.392   1.728   3.090
  133   2H5*    A  13          2H5*        A  13  10.557   3.492   2.979
  134    H4*    A  13           H4*        A  13   9.795   2.250   0.840
  135    H3*    A  13           H3*        A  13   8.883   4.763   2.094
  136    H2*    A  13           H2*        A  13   6.684   4.630   1.551
  137   2HO*    A  13          2HO*        A  13   6.267   4.085  -0.807
  138    H1*    A  13           H1*        A  13   6.762   2.119   0.005
  139    H8     A  13           H8         A  13   6.057   3.152   3.719
  140   1H6     A  13          1H6         A  13   0.268   1.343   2.528
  141   2H6     A  13          2H6         A  13   1.361   1.977   3.737
  142    H2     A  13           H2         A  13   2.680   0.829  -1.216
  143   1H5*    U  14          1H5*        U  14   9.042   3.999  -2.211
  144   2H5*    U  14          2H5*        U  14   9.450   5.293  -3.357
  145    H4*    U  14           H4*        U  14   7.577   3.727  -4.116
  146    H3*    U  14           H3*        U  14   7.803   6.629  -4.210
  147    H2*    U  14           H2*        U  14   5.727   7.209  -3.485
  148   2HO*    U  14          2HO*        U  14   4.702   5.432  -5.466
  149    H1*    U  14           H1*        U  14   4.481   4.523  -3.550
  150    H3     U  14           H3         U  14   1.514   6.644  -0.922
  151    H5     U  14           H5         U  14   5.174   7.205   1.092
  152    H6     U  14           H6         U  14   6.291   6.130  -0.778
  153   1H5*    U  15          1H5*        U  15   5.323   8.771  -8.046
  154   2H5*    U  15          2H5*        U  15   6.259   8.878  -6.541
  155    H4*    U  15           H4*        U  15   3.414   7.825  -6.508
  156    H3*    U  15           H3*        U  15   4.327  10.562  -7.148
  157    H2*    U  15           H2*        U  15   3.869  11.536  -5.151
  158   2HO*    U  15          2HO*        U  15   1.657  11.474  -5.899
  159    H1*    U  15           H1*        U  15   2.824   9.197  -3.715
  160    H3     U  15           H3         U  15   4.270  12.351  -0.679
  161    H5     U  15           H5         U  15   7.740  10.467  -2.156
  162    H6     U  15           H6         U  15   6.356   9.371  -3.822
  163   1H5*    U  16          1H5*        U  16   0.120   7.121 -10.225
  164   2H5*    U  16          2H5*        U  16   0.644   8.745 -10.716
  165    H4*    U  16           H4*        U  16  -1.828   8.558 -10.131
  166    H3*    U  16           H3*        U  16   0.183  10.503  -9.140
  167    H2*    U  16           H2*        U  16  -0.774  11.009  -7.145
  168   2HO*    U  16          2HO*        U  16  -3.341  10.868  -7.307
  169    H1*    U  16           H1*        U  16  -2.849   9.021  -6.985
  170    H3     U  16           H3         U  16  -1.098   9.954  -2.833
  171    H5     U  16           H5         U  16   1.591   7.268  -4.654
  172    H6     U  16           H6         U  16   0.367   7.554  -6.731
  173   1H5*    G  17          1H5*        G  17  -3.500  14.980  -9.998
  174   2H5*    G  17          2H5*        G  17  -2.658  14.132  -8.685
  175    H4*    G  17           H4*        G  17  -5.386  13.240  -9.709
  176    H3*    G  17           H3*        G  17  -4.595  15.559  -8.004
  177    H2*    G  17           H2*        G  17  -5.658  14.896  -6.091
  178   2HO*    G  17          2HO*        G  17  -7.498  13.150  -6.665
  179    H1*    G  17           H1*        G  17  -5.897  12.119  -6.467
  180    H8     G  17           H8         G  17  -2.269  12.789  -6.593
  181    H1     G  17           H1         G  17  -4.652  13.704  -0.707
  182   1H2     G  17          1H2         G  17  -6.855  13.785  -0.786
  183   2H2     G  17          2H2         G  17  -7.748  13.614  -2.280
  184   1H5*    A  18          1H5*        A  18  -9.048  16.742  -9.371
  185   2H5*    A  18          2H5*        A  18  -9.045  18.510  -9.214
  186    H4*    A  18           H4*        A  18 -10.639  17.202  -7.646
  187    H3*    A  18           H3*        A  18  -8.681  19.389  -7.012
  188    H2*    A  18           H2*        A  18  -8.766  19.122  -4.732
  189   2HO*    A  18          2HO*        A  18 -11.277  17.797  -5.049
  190    H1*    A  18           H1*        A  18  -9.404  16.407  -4.522
  191    H8     A  18           H8         A  18  -6.400  17.638  -6.662
  192   1H6     A  18          1H6         A  18  -3.053  16.846  -1.521
  193   2H6     A  18          2H6         A  18  -3.007  17.258  -3.221
  194    H2     A  18           H2         A  18  -7.349  16.047  -0.523
  195   1H5*    U  19          1H5*        U  19 -12.512  20.741  -4.341
  196   2H5*    U  19          2H5*        U  19 -12.255  22.459  -4.702
  197    H4*    U  19           H4*        U  19 -12.296  21.814  -2.207
  198    H3*    U  19           H3*        U  19 -10.172  23.387  -3.683
  199    H2*    U  19           H2*        U  19  -8.788  23.502  -1.833
  200   2HO*    U  19          2HO*        U  19 -10.951  22.740  -0.140
  201    H1*    U  19           H1*        U  19  -9.449  21.079  -0.602
  202    H3     U  19           H3         U  19  -5.061  20.481  -1.299
  203    H5     U  19           H5         U  19  -6.557  21.100  -5.191
  204    H6     U  19           H6         U  19  -8.748  21.474  -4.217
  205   1H5*    A  20          1H5*        A  20  -9.389  28.015  -2.415
  206   2H5*    A  20          2H5*        A  20  -8.817  26.434  -2.981
  207    H4*    A  20           H4*        A  20  -8.863  26.997  -0.010
  208    H3*    A  20           H3*        A  20  -7.287  28.470  -2.033
  209    H2*    A  20           H2*        A  20  -5.294  27.441  -1.687
  210   2HO*    A  20          2HO*        A  20  -5.701  27.487   1.119
  211    H1*    A  20           H1*        A  20  -6.116  25.596   0.455
  212    H8     A  20           H8         A  20  -6.506  24.443  -3.136
  213   1H6     A  20          1H6         A  20  -0.697  22.335  -2.699
  214   2H6     A  20          2H6         A  20  -2.153  22.341  -3.668
  215    H2     A  20           H2         A  20  -1.544  24.851   0.908
  216   1H5*    C  21          1H5*        C  21  -4.593  31.885   1.622
  217   2H5*    C  21          2H5*        C  21  -4.302  30.587   0.446
  218    H4*    C  21           H4*        C  21  -4.730  29.984   3.396
  219    H3*    C  21           H3*        C  21  -2.411  31.220   2.008
  220    H2*    C  21           H2*        C  21  -0.914  29.537   2.354
  221   2HO*    C  21          2HO*        C  21  -1.789  28.224   4.507
  222    H1*    C  21           H1*        C  21  -2.656  27.386   3.067
  223   1H4     C  21          1H4         C  21   1.066  25.953  -1.964
  224   2H4     C  21          2H4         C  21  -0.318  26.275  -2.986
  225    H5     C  21           H5         C  21  -2.380  27.216  -2.159
  226    H6     C  21           H6         C  21  -3.553  28.051  -0.172
  227   1H5*    A  22          1H5*        A  22   0.139  34.478   3.511
  228   2H5*    A  22          2H5*        A  22  -0.824  33.520   2.365
  229    H4*    A  22           H4*        A  22   1.249  32.140   4.088
  230    H3*    A  22           H3*        A  22   1.698  34.104   1.868
  231    H2*    A  22           H2*        A  22   2.818  32.667   0.490
  232   2HO*    A  22          2HO*        A  22   3.916  30.750   1.663
  233    H1*    A  22           H1*        A  22   1.990  30.156   1.559
  234    H8     A  22           H8         A  22  -1.096  31.400   0.177
  235   1H6     A  22          1H6         A  22   1.206  30.905  -5.547
  236   2H6     A  22          2H6         A  22  -0.244  31.126  -4.593
  237    H2     A  22           H2         A  22   4.603  30.563  -2.646
  238   1H5*    C  23          1H5*        C  23   5.105  32.300   0.766
  239   2H5*    C  23          2H5*        C  23   6.286  33.253   1.685
  240    H4*    C  23           H4*        C  23   7.205  33.632  -0.384
  241    H3*    C  23           H3*        C  23   4.987  35.589   0.077
  242    H2*    C  23           H2*        C  23   4.616  36.086  -2.122
  243   2HO*    C  23          2HO*        C  23   6.568  36.964  -2.606
  244    H1*    C  23           H1*        C  23   5.777  33.842  -3.414
  245   1H4     C  23          1H4         C  23  -0.346  33.486  -4.976
  246   2H4     C  23          2H4         C  23  -0.852  33.887  -3.349
  247    H5     C  23           H5         C  23   0.693  34.309  -1.555
  248    H6     C  23           H6         C  23   3.059  34.437  -0.926
  249   1H5*    U  24          1H5*        U  24   9.180  37.045  -2.613
  250   2H5*    U  24          2H5*        U  24   8.798  36.000  -1.227
  251    H4*    U  24           H4*        U  24  11.234  37.719  -1.705
  252    H3*    U  24           H3*        U  24  10.747  34.979  -1.722
  253    H2*    U  24           H2*        U  24  10.209  34.651   0.519
  254   2HO*    U  24          2HO*        U  24  12.427  34.589   1.715
  255    H1*    U  24           H1*        U  24  12.064  36.724   1.598
  256    H3     U  24           H3         U  24  10.037  36.585   5.569
  257    H5     U  24           H5         U  24   6.859  35.824   2.906
  258    H6     U  24           H6         U  24   8.442  35.989   1.072
  259   1H5*    A  25          1H5*        A  25  11.527  32.908  -1.647
  260   2H5*    A  25          2H5*        A  25  12.814  32.342  -2.730
  261    H4*    A  25           H4*        A  25  11.292  31.525  -4.314
  262    H3*    A  25           H3*        A  25  10.106  34.023  -3.931
  263    H2*    A  25           H2*        A  25   8.744  33.574  -2.109
  264   2HO*    A  25          2HO*        A  25   6.822  32.159  -3.258
  265    H1*    A  25           H1*        A  25   8.174  30.738  -2.860
  266    H8     A  25           H8         A  25  10.210  32.413   0.030
  267   1H6     A  25          1H6         A  25   5.767  30.165   3.699
  268   2H6     A  25          2H6         A  25   7.291  31.024   3.641
  269    H2     A  25           H2         A  25   4.671  29.230  -0.544
  270   1H5*    U  26          1H5*        U  26   9.974  29.178  -3.305
  271   2H5*    U  26          2H5*        U  26  10.210  28.789  -5.023
  272    H4*    U  26           H4*        U  26   8.592  27.370  -3.194
  273    H3*    U  26           H3*        U  26   9.663  26.871  -5.647
  274    H2*    U  26           H2*        U  26   8.238  28.078  -7.028
  275   2HO*    U  26          2HO*        U  26   7.386  26.423  -7.986
  276    H1*    U  26           H1*        U  26   5.716  27.652  -5.534
  277    H3     U  26           H3         U  26   5.747  30.735  -9.199
  278    H5     U  26           H5         U  26   6.132  32.778  -5.531
  279    H6     U  26           H6         U  26   6.553  30.642  -4.460
  280   1H5*    U  27          1H5*        U  27   9.938  23.649  -1.510
  281   2H5*    U  27          2H5*        U  27   8.366  23.792  -2.319
  282    H4*    U  27           H4*        U  27   9.876  26.025  -0.885
  283    H3*    U  27           H3*        U  27   7.663  24.119  -0.206
  284    H2*    U  27           H2*        U  27   6.148  25.736   0.397
  285   2HO*    U  27          2HO*        U  27   8.177  27.667   0.840
  286    H1*    U  27           H1*        U  27   7.133  27.973  -1.018
  287    H3     U  27           H3         U  27   2.573  26.647  -1.225
  288    H5     U  27           H5         U  27   4.543  25.557  -4.790
  289    H6     U  27           H6         U  27   6.654  26.043  -3.693
  290   1H5*    U  28          1H5*        U  28   6.939  21.501   2.436
  291   2H5*    U  28          2H5*        U  28   6.737  22.727   1.165
  292    H4*    U  28           H4*        U  28   6.073  23.641   3.929
  293    H3*    U  28           H3*        U  28   4.727  21.288   2.575
  294    H2*    U  28           H2*        U  28   2.604  22.159   2.898
  295   2HO*    U  28          2HO*        U  28   2.231  23.837   4.470
  296    H1*    U  28           H1*        U  28   3.173  24.879   2.693
  297    H3     U  28           H3         U  28   0.090  23.461  -0.423
  298    H5     U  28           H5         U  28   3.870  22.593  -2.075
  299    H6     U  28           H6         U  28   4.865  23.180   0.060
  300   1H5*    A  29          1H5*        A  29   2.665  22.202   5.661
  301   2H5*    A  29          2H5*        A  29   2.396  20.957   6.897
  302    H4*    A  29           H4*        A  29   0.237  21.913   6.444
  303    H3*    A  29           H3*        A  29   0.799  19.205   5.182
  304    H2*    A  29           H2*        A  29  -1.135  19.257   3.951
  305   2HO*    A  29          2HO*        A  29  -2.304  21.008   5.875
  306    H1*    A  29           H1*        A  29  -1.638  22.103   4.107
  307    H8     A  29           H8         A  29   1.288  20.764   2.001
  308   1H6     A  29          1H6         A  29  -2.790  20.357  -2.628
  309   2H6     A  29          2H6         A  29  -1.107  20.218  -2.175
  310    H2     A  29           H2         A  29  -5.024  21.456   1.102
  311   1H5*    U  30          1H5*        U  30  -3.027  19.948   7.542
  312   2H5*    U  30          2H5*        U  30  -3.646  18.443   8.250
  313    H4*    U  30           H4*        U  30  -5.376  19.897   7.027
  314    H3*    U  30           H3*        U  30  -4.784  16.982   6.663
  315    H2*    U  30           H2*        U  30  -5.990  16.748   4.733
  316   2HO*    U  30          2HO*        U  30  -7.582  19.035   5.217
  317    H1*    U  30           H1*        U  30  -6.076  19.461   3.855
  318    H3     U  30           H3         U  30  -5.009  17.039   0.190
  319    H5     U  30           H5         U  30  -1.609  16.695   2.658
  320    H6     U  30           H6         U  30  -2.836  17.862   4.398
  321   1H5*    C  31          1H5*        C  31  -7.247  13.581   7.987
  322   2H5*    C  31          2H5*        C  31  -6.110  14.496   6.977
  323    H4*    C  31           H4*        C  31  -9.024  14.188   6.171
  324    H3*    C  31           H3*        C  31  -6.770  12.196   6.103
  325    H2*    C  31           H2*        C  31  -6.898  11.812   3.846
  326   2HO*    C  31          2HO*        C  31  -9.358  12.806   3.221
  327    H1*    C  31           H1*        C  31  -8.108  14.220   2.976
  328   1H4     C  31          1H4         C  31  -2.308  13.952   0.398
  329   2H4     C  31          2H4         C  31  -1.554  14.103   1.970
  330    H5     C  31           H5         C  31  -2.803  14.193   4.027
  331    H6     C  31           H6         C  31  -5.044  14.154   5.022
  332   1H5*    A  32          1H5*        A  32  -8.799   8.154   3.599
  333   2H5*    A  32          2H5*        A  32  -7.430   9.258   3.850
  334    H4*    A  32           H4*        A  32  -9.624  10.091   1.952
  335    H3*    A  32           H3*        A  32  -7.777   7.760   1.637
  336    H2*    A  32           H2*        A  32  -6.786   8.511  -0.282
  337   2HO*    A  32          2HO*        A  32  -8.110   8.946  -1.851
  338    H1*    A  32           H1*        A  32  -7.301  11.295  -0.104
  339    H8     A  32           H8         A  32  -5.131  11.064   2.687
  340   1H6     A  32          1H6         A  32  -0.412   9.350  -0.931
  341   2H6     A  32          2H6         A  32  -0.871   9.953   0.645
  342    H2     A  32           H2         A  32  -4.204   8.866  -3.267
  343   1H5*    A  33          1H5*        A  33  -8.223   4.216  -0.458
  344   2H5*    A  33          2H5*        A  33  -7.353   5.669   0.074
  345    H4*    A  33           H4*        A  33  -8.032   5.337  -2.857
  346    H3*    A  33           H3*        A  33  -6.173   3.656  -1.222
  347    H2*    A  33           H2*        A  33  -4.257   4.182  -2.375
  348   2HO*    A  33          2HO*        A  33  -5.789   5.056  -4.608
  349    H1*    A  33           H1*        A  33  -4.845   6.721  -3.360
  350    H8     A  33           H8         A  33  -5.467   6.798   0.326
  351   1H6     A  33          1H6         A  33   0.659   7.016   1.144
  352   2H6     A  33          2H6         A  33  -0.904   7.176   1.911
  353    H2     A  33           H2         A  33  -0.132   6.054  -3.163
  354   1H5*    U  34          1H5*        U  34  -6.004   2.175  -5.068
  355   2H5*    U  34          2H5*        U  34  -5.589   0.467  -5.317
  356    H4*    U  34           H4*        U  34  -3.797   2.305  -5.898
  357    H3*    U  34           H3*        U  34  -3.542  -0.349  -4.503
  358    H2*    U  34           H2*        U  34  -1.442   0.042  -3.692
  359   2HO*    U  34          2HO*        U  34  -0.340   0.287  -5.562
  360    H1*    U  34           H1*        U  34  -1.375   2.893  -3.783
  361    H3     U  34           H3         U  34   0.301   1.017   0.116
  362    H5     U  34           H5         U  34  -3.841   1.546   0.687
  363    H6     U  34           H6         U  34  -4.036   2.046  -1.683
  364   1H5*    G  35          1H5*        G  35  -2.690  -4.180  -6.710
  365   2H5*    G  35          2H5*        G  35  -2.721  -3.099  -5.301
  366    H4*    G  35           H4*        G  35  -0.180  -3.869  -6.815
  367    H3*    G  35           H3*        G  35  -1.735  -5.158  -4.594
  368    H2*    G  35           H2*        G  35  -0.065  -5.100  -3.035
  369   2HO*    G  35          2HO*        G  35   2.222  -5.060  -3.846
  370    H1*    G  35           H1*        G  35   1.603  -3.062  -4.075
  371    H8     G  35           H8         G  35  -2.018  -2.200  -3.097
  372    H1     G  35           H1         G  35   2.213  -1.957   1.718
  373   1H2     G  35          1H2         G  35   4.157  -2.756   1.059
  374   2H2     G  35          2H2         G  35   4.430  -3.350  -0.563
  375   1H5*    G  36          1H5*        G  36   1.833  -7.072  -4.416
  376   2H5*    G  36          2H5*        G  36   1.639  -8.782  -4.845
  377    H4*    G  36           H4*        G  36   3.002  -8.389  -2.733
  378    H3*    G  36           H3*        G  36   0.671 -10.143  -3.173
  379    H2*    G  36           H2*        G  36  -0.095 -10.319  -1.029
  380   2HO*    G  36          2HO*        G  36   2.332  -9.678   0.220
  381    H1*    G  36           H1*        G  36   1.042  -8.087   0.238
  382    H8     G  36           H8         G  36  -1.149  -7.446  -2.851
  383    H1     G  36           H1         G  36  -4.415  -8.131   2.625
  384   1H2     G  36          1H2         G  36  -3.067  -8.762   4.245
  385   2H2     G  36          2H2         G  36  -1.356  -9.023   3.999
  386   1H5*    A  37          1H5*        A  37   5.670 -12.068  -0.155
  387   2H5*    A  37          2H5*        A  37   4.727 -13.245  -1.095
  388    H4*    A  37           H4*        A  37   5.255 -14.144   1.153
  389    H3*    A  37           H3*        A  37   2.637 -13.837  -0.042
  390    H2*    A  37           H2*        A  37   1.481 -12.913   1.690
  391   2HO*    A  37          2HO*        A  37   0.855 -14.353   3.133
  392    H1*    A  37           H1*        A  37   3.483 -13.303   3.824
  393    H8     A  37           H8         A  37   3.356 -10.039   1.855
  394   1H6     A  37          1H6         A  37  -0.331  -7.932   6.353
  395   2H6     A  37          2H6         A  37   0.599  -7.507   4.932
  396    H2     A  37           H2         A  37   0.202 -12.343   6.943
  397   1H5*    U  38          1H5*        U  38   2.685 -15.277   4.584
  398   2H5*    U  38          2H5*        U  38   3.223 -16.861   5.178
  399    H4*    U  38           H4*        U  38   0.975 -16.575   5.995
  400    H3*    U  38           H3*        U  38   1.558 -18.542   3.858
  401    H2*    U  38           H2*        U  38  -0.519 -18.682   2.910
  402   2HO*    U  38          2HO*        U  38  -2.170 -19.092   4.158
  403    H1*    U  38           H1*        U  38  -1.751 -16.301   3.679
  404    H3     U  38           H3         U  38  -2.129 -15.560  -0.692
  405    H5     U  38           H5         U  38   1.963 -16.482  -0.278
  406    H6     U  38           H6         U  38   1.573 -16.848   2.090
  407   1H5*    G  39          1H5*        G  39   2.157 -22.463   5.803
  408   2H5*    G  39          2H5*        G  39   2.035 -21.049   4.738
  409    H4*    G  39           H4*        G  39  -0.207 -21.299   6.672
  410    H3*    G  39           H3*        G  39   0.556 -23.588   4.857
  411    H2*    G  39           H2*        G  39  -1.492 -23.681   3.803
  412   2HO*    G  39          2HO*        G  39  -2.906 -22.060   5.579
  413    H1*    G  39           H1*        G  39  -2.293 -21.021   3.927
  414    H8     G  39           H8         G  39   0.847 -20.413   2.359
  415    H1     G  39           H1         G  39  -2.570 -24.384  -1.339
  416   1H2     G  39          1H2         G  39  -4.249 -25.233  -0.199
  417   2H2     G  39          2H2         G  39  -4.542 -24.840   1.480
  418   1H5*    U  40          1H5*        U  40  -2.064 -26.132   7.523
  419   2H5*    U  40          2H5*        U  40  -1.308 -27.722   7.304
  420    H4*    U  40           H4*        U  40  -3.645 -27.229   6.178
  421    H3*    U  40           H3*        U  40  -1.211 -28.700   5.186
  422    H2*    U  40           H2*        U  40  -1.970 -28.867   3.025
  423   2HO*    U  40          2HO*        U  40  -3.924 -29.595   2.771
  424    H1*    U  40           H1*        U  40  -3.608 -26.588   2.879
  425    H3     U  40           H3         U  40  -0.507 -26.698  -0.516
  426    H5     U  40           H5         U  40   1.473 -25.021   2.806
  427    H6     U  40           H6         U  40  -0.442 -25.629   4.170
  428   1H5*    C  41          1H5*        C  41  -3.714 -32.954   5.449
  429   2H5*    C  41          2H5*        C  41  -2.127 -33.733   5.618
  430    H4*    C  41           H4*        C  41  -3.682 -34.226   3.494
  431    H3*    C  41           H3*        C  41  -0.691 -33.944   3.812
  432    H2*    C  41           H2*        C  41  -0.307 -34.021   1.537
  433   2HO*    C  41          2HO*        C  41  -1.634 -35.954   1.295
  434    H1*    C  41           H1*        C  41  -2.633 -32.774   0.625
  435   1H4     C  41          1H4         C  41   2.349 -28.850  -0.063
  436   2H4     C  41          2H4         C  41   2.276 -28.419   1.632
  437    H5     C  41           H5         C  41   0.737 -29.445   3.188
  438    H6     C  41           H6         C  41  -1.046 -31.111   3.449
  439   1H5*    U  42          1H5*        U  42  -0.512 -37.934   1.916
  440   2H5*    U  42          2H5*        U  42   1.215 -38.284   2.100
  441    H4*    U  42           H4*        U  42   0.075 -37.289  -0.201
  442    H3*    U  42           H3*        U  42   2.858 -37.327   0.972
  443    H2*    U  42           H2*        U  42   3.635 -35.690  -0.421
  444   2HO*    U  42          2HO*        U  42   2.354 -35.409  -2.539
  445    H1*    U  42           H1*        U  42   1.146 -34.487  -1.176
  446    H3     U  42           H3         U  42   4.198 -31.190  -0.339
  447    H5     U  42           H5         U  42   2.914 -32.519   3.449
  448    H6     U  42           H6         U  42   1.767 -34.351   2.342
  449   1H5*    C  43          1H5*        C  43   5.311 -40.403   1.349
  450   2H5*    C  43          2H5*        C  43   5.394 -38.846   2.200
  451    H4*    C  43           H4*        C  43   5.659 -39.339  -0.796
  452    H3*    C  43           H3*        C  43   7.451 -38.806   1.489
  453    H2*    C  43           H2*        C  43   8.279 -36.821   0.808
  454   2HO*    C  43          2HO*        C  43   9.273 -36.734  -1.059
  455    H1*    C  43           H1*        C  43   6.474 -36.155  -1.328
  456   1H4     C  43          1H4         C  43   6.827 -31.313   2.840
  457   2H4     C  43          2H4         C  43   5.567 -32.071   3.788
  458    H5     C  43           H5         C  43   4.686 -34.257   3.304
  459    H6     C  43           H6         C  43   4.820 -36.196   1.810
  460    H3T    C  43           H3T        C  43   8.882 -39.680  -0.042
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  12.527 -22.947   0.522
    2   2H5*    G   1          2H5*        G   1  14.298 -23.065   0.473
    3    H4*    G   1           H4*        G   1  14.156 -24.406  -1.612
    4    H3*    G   1           H3*        G   1  11.324 -23.468  -1.418
    5    H2*    G   1           H2*        G   1  10.355 -25.515  -1.306
    6   2HO*    G   1          2HO*        G   1  11.801 -27.132  -2.826
    7    H1*    G   1           H1*        G   1  12.788 -27.147  -1.186
    8    H8     G   1           H8         G   1  11.560 -25.648   2.066
    9    H1     G   1           H1         G   1   8.520 -31.053   0.425
   10   1H2     G   1          1H2         G   1   9.038 -31.618  -1.640
   11   2H2     G   1          2H2         G   1  10.129 -30.672  -2.628
   12    H5T    G   1           H5T        G   1  13.982 -19.686  -0.156
   13   1H5*    A   2          1H5*        A   2  11.537 -25.731  -6.334
   14   2H5*    A   2          2H5*        A   2  10.472 -24.355  -6.681
   15    H4*    A   2           H4*        A   2   9.516 -26.509  -7.507
   16    H3*    A   2           H3*        A   2   8.217 -24.753  -5.451
   17    H2*    A   2           H2*        A   2   6.623 -26.285  -4.861
   18   2HO*    A   2          2HO*        A   2   6.656 -26.708  -7.571
   19    H1*    A   2           H1*        A   2   7.885 -28.689  -5.741
   20    H8     A   2           H8         A   2   9.777 -26.914  -2.983
   21   1H6     A   2          1H6         A   2   5.853 -29.573   0.992
   22   2H6     A   2          2H6         A   2   7.328 -28.648   0.825
   23    H2     A   2           H2         A   2   4.325 -30.289  -3.162
   24   1H5*    G   3          1H5*        G   3   5.244 -25.711  -9.495
   25   2H5*    G   3          2H5*        G   3   3.760 -24.890  -8.970
   26    H4*    G   3           H4*        G   3   3.862 -27.557  -9.558
   27    H3*    G   3           H3*        G   3   2.106 -25.823  -7.821
   28    H2*    G   3           H2*        G   3   1.189 -27.600  -6.655
   29   2HO*    G   3          2HO*        G   3   1.564 -28.862  -9.055
   30    H1*    G   3           H1*        G   3   3.334 -29.327  -6.550
   31    H8     G   3           H8         G   3   4.582 -25.876  -5.677
   32    H1     G   3           H1         G   3   1.135 -28.540  -0.970
   33   1H2     G   3          1H2         G   3   0.132 -30.359  -1.694
   34   2H2     G   3          2H2         G   3   0.297 -30.936  -3.336
   35   1H5*    A   4          1H5*        A   4  -1.771 -27.033 -10.539
   36   2H5*    A   4          2H5*        A   4  -2.432 -25.422 -10.199
   37    H4*    A   4           H4*        A   4  -3.654 -27.618  -9.290
   38    H3*    A   4           H3*        A   4  -3.299 -24.848  -8.179
   39    H2*    A   4           H2*        A   4  -3.962 -25.394  -6.044
   40   2HO*    A   4          2HO*        A   4  -5.826 -26.375  -6.023
   41    H1*    A   4           H1*        A   4  -3.189 -28.074  -5.908
   42    H8     A   4           H8         A   4  -0.262 -25.958  -7.021
   43   1H6     A   4          1H6         A   4   0.404 -24.291  -1.096
   44   2H6     A   4          2H6         A   4   1.121 -24.252  -2.690
   45    H2     A   4           H2         A   4  -3.476 -26.496  -1.494
   46   1H5*    C   5          1H5*        C   5  -8.289 -25.772  -7.793
   47   2H5*    C   5          2H5*        C   5  -8.651 -24.034  -7.836
   48    H4*    C   5           H4*        C   5  -9.564 -25.492  -5.830
   49    H3*    C   5           H3*        C   5  -8.435 -22.710  -5.968
   50    H2*    C   5           H2*        C   5  -8.016 -22.484  -3.718
   51   2HO*    C   5          2HO*        C   5  -9.750 -22.907  -2.578
   52    H1*    C   5           H1*        C   5  -7.500 -25.094  -2.955
   53   1H4     C   5          1H4         C   5  -1.853 -22.194  -3.180
   54   2H4     C   5          2H4         C   5  -1.966 -21.999  -4.914
   55    H5     C   5           H5         C   5  -3.892 -22.678  -6.197
   56    H6     C   5           H6         C   5  -6.124 -23.688  -6.089
   57   1H5*    U   6          1H5*        U   6 -11.805 -19.123  -4.818
   58   2H5*    U   6          2H5*        U   6 -10.256 -19.663  -5.494
   59    H4*    U   6           H4*        U   6 -11.232 -20.560  -2.750
   60    H3*    U   6           H3*        U   6 -10.255 -17.928  -3.636
   61    H2*    U   6           H2*        U   6  -8.120 -18.065  -2.900
   62   2HO*    U   6          2HO*        U   6  -8.983 -19.253  -0.471
   63    H1*    U   6           H1*        U   6  -8.187 -20.733  -1.683
   64    H3     U   6           H3         U   6  -3.801 -20.031  -2.631
   65    H5     U   6           H5         U   6  -5.682 -20.155  -6.402
   66    H6     U   6           H6         U   6  -7.820 -20.233  -5.258
   67   1H5*    A   7          1H5*        A   7 -10.198 -15.380   1.343
   68   2H5*    A   7          2H5*        A   7  -9.123 -15.996   0.072
   69    H4*    A   7           H4*        A   7  -9.738 -17.642   2.553
   70    H3*    A   7           H3*        A   7  -8.032 -15.213   2.179
   71    H2*    A   7           H2*        A   7  -6.060 -16.185   2.821
   72   2HO*    A   7          2HO*        A   7  -5.956 -17.368   4.583
   73    H1*    A   7           H1*        A   7  -6.609 -18.907   2.304
   74    H8     A   7           H8         A   7  -6.838 -17.718  -1.051
   75   1H6     A   7          1H6         A   7  -0.852 -16.157  -1.004
   76   2H6     A   7          2H6         A   7  -2.256 -16.447  -2.005
   77    H2     A   7           H2         A   7  -2.149 -16.828   3.234
   78   1H5*    U   8          1H5*        U   8  -8.047 -15.659   7.623
   79   2H5*    U   8          2H5*        U   8  -8.032 -14.990   5.979
   80    H4*    U   8           H4*        U   8  -5.736 -16.595   7.194
   81    H3*    U   8           H3*        U   8  -6.503 -13.704   7.305
   82    H2*    U   8           H2*        U   8  -4.649 -12.895   6.248
   83   2HO*    U   8          2HO*        U   8  -2.818 -14.868   6.727
   84    H1*    U   8           H1*        U   8  -3.626 -15.310   5.073
   85    H3     U   8           H3         U   8  -3.067 -12.143   1.881
   86    H5     U   8           H5         U   8  -7.240 -12.708   2.084
   87    H6     U   8           H6         U   8  -6.888 -14.110   4.032
   88   1H5*    C   9          1H5*        C   9  -5.506 -12.588  11.783
   89   2H5*    C   9          2H5*        C   9  -5.812 -11.384  10.513
   90    H4*    C   9           H4*        C   9  -3.925 -13.776  10.295
   91    H3*    C   9           H3*        C   9  -3.650 -10.898  11.052
   92    H2*    C   9           H2*        C   9  -2.147 -10.334   9.417
   93   2HO*    C   9          2HO*        C   9  -1.057 -12.726   8.732
   94    H1*    C   9           H1*        C   9  -2.524 -12.477   7.574
   95   1H4     C   9          1H4         C   9  -3.810  -6.814   4.820
   96   2H4     C   9          2H4         C   9  -5.503  -7.230   4.980
   97    H5     C   9           H5         C   9  -6.281  -9.143   6.208
   98    H6     C   9           H6         C   9  -5.615 -11.078   7.553
   99   1H5*    G  10          1H5*        G  10  -2.326  -9.505  14.607
  100   2H5*    G  10          2H5*        G  10  -3.639  -8.676  13.748
  101    H4*    G  10           H4*        G  10  -0.849  -9.166  12.607
  102    H3*    G  10           H3*        G  10  -1.607  -7.333  14.593
  103    H2*    G  10           H2*        G  10  -2.998  -5.940  13.400
  104   2HO*    G  10          2HO*        G  10  -0.485  -5.135  13.250
  105    H1*    G  10           H1*        G  10  -1.762  -6.341  10.729
  106    H8     G  10           H8         G  10  -4.646  -8.113  10.163
  107    H1     G  10           H1         G  10  -6.449  -2.133  11.625
  108   1H2     G  10          1H2         G  10  -4.800  -1.067  12.627
  109   2H2     G  10          2H2         G  10  -3.249  -1.815  12.939
  110   1H5*    A  11          1H5*        A  11   3.410  -4.987  12.580
  111   2H5*    A  11          2H5*        A  11   1.705  -4.669  12.209
  112    H4*    A  11           H4*        A  11   3.800  -5.649  10.213
  113    H3*    A  11           H3*        A  11   3.425  -3.022  11.245
  114    H2*    A  11           H2*        A  11   1.367  -2.530  10.326
  115   2HO*    A  11          2HO*        A  11   3.181  -2.412   8.148
  116    H1*    A  11           H1*        A  11   1.579  -4.283   7.932
  117    H8     A  11           H8         A  11  -0.457  -3.854  11.260
  118   1H6     A  11          1H6         A  11  -5.385  -3.781   7.517
  119   2H6     A  11          2H6         A  11  -4.835  -3.669   9.175
  120    H2     A  11           H2         A  11  -1.727  -4.356   4.996
  121   1H5*    C  12          1H5*        C  12   6.026  -0.201   8.838
  122   2H5*    C  12          2H5*        C  12   4.707  -1.388   8.806
  123    H4*    C  12           H4*        C  12   7.102  -2.036   7.132
  124    H3*    C  12           H3*        C  12   5.488   0.481   6.825
  125    H2*    C  12           H2*        C  12   4.794   0.036   4.684
  126   2HO*    C  12          2HO*        C  12   6.849  -0.119   3.791
  127    H1*    C  12           H1*        C  12   4.962  -2.773   4.615
  128   1H4     C  12          1H4         C  12  -1.201  -1.333   4.183
  129   2H4     C  12          2H4         C  12  -1.191  -0.596   5.769
  130    H5     C  12           H5         C  12   0.794  -0.390   7.116
  131    H6     C  12           H6         C  12   3.200  -0.844   7.232
  132   1H5*    A  13          1H5*        A  13   8.757   0.556   3.791
  133   2H5*    A  13          2H5*        A  13   9.327   2.217   3.529
  134    H4*    A  13           H4*        A  13   8.518   1.065   1.423
  135    H3*    A  13           H3*        A  13   7.630   3.682   2.540
  136    H2*    A  13           H2*        A  13   5.598   3.756   1.530
  137   2HO*    A  13          2HO*        A  13   6.342   2.433  -0.814
  138    H1*    A  13           H1*        A  13   5.566   1.087   0.340
  139    H8     A  13           H8         A  13   4.735   2.225   3.977
  140   1H6     A  13          1H6         A  13  -1.171   1.644   2.244
  141   2H6     A  13          2H6         A  13  -0.083   1.993   3.569
  142    H2     A  13           H2         A  13   1.410   0.850  -1.336
  143   1H5*    U  14          1H5*        U  14   8.346   2.974  -1.691
  144   2H5*    U  14          2H5*        U  14   9.200   4.214  -2.631
  145    H4*    U  14           H4*        U  14   7.396   3.153  -3.977
  146    H3*    U  14           H3*        U  14   7.793   5.980  -3.459
  147    H2*    U  14           H2*        U  14   5.665   6.599  -2.940
  148   2HO*    U  14          2HO*        U  14   4.913   5.393  -5.414
  149    H1*    U  14           H1*        U  14   4.276   4.125  -3.800
  150    H3     U  14           H3         U  14   0.984   5.797  -1.265
  151    H5     U  14           H5         U  14   4.308   5.877   1.327
  152    H6     U  14           H6         U  14   5.681   5.099  -0.519
  153   1H5*    U  15          1H5*        U  15   6.005   8.103  -8.385
  154   2H5*    U  15          2H5*        U  15   6.029   8.526  -6.662
  155    H4*    U  15           H4*        U  15   3.765   6.957  -7.970
  156    H3*    U  15           H3*        U  15   4.455   9.743  -8.272
  157    H2*    U  15           H2*        U  15   3.439  10.603  -6.418
  158   2HO*    U  15          2HO*        U  15   1.306  10.912  -6.671
  159    H1*    U  15           H1*        U  15   1.727   8.270  -5.757
  160    H3     U  15           H3         U  15   1.411  10.992  -2.106
  161    H5     U  15           H5         U  15   5.387   9.597  -2.086
  162    H6     U  15           H6         U  15   4.985   8.614  -4.270
  163   1H5*    U  16          1H5*        U  16   0.855   7.907 -10.525
  164   2H5*    U  16          2H5*        U  16   0.223   8.676 -11.996
  165    H4*    U  16           H4*        U  16  -1.680   9.454 -10.931
  166    H3*    U  16           H3*        U  16   0.290  10.062  -8.803
  167    H2*    U  16           H2*        U  16  -0.831   9.211  -7.017
  168   2HO*    U  16          2HO*        U  16  -2.650  10.816  -7.984
  169    H1*    U  16           H1*        U  16  -2.865   7.647  -8.253
  170    H3     U  16           H3         U  16  -1.584   4.278  -5.651
  171    H5     U  16           H5         U  16   2.096   6.027  -6.726
  172    H6     U  16           H6         U  16   0.863   7.647  -8.050
  173   1H5*    G  17          1H5*        G  17  -2.668  12.849 -10.701
  174   2H5*    G  17          2H5*        G  17  -3.131  14.515 -10.300
  175    H4*    G  17           H4*        G  17  -4.828  12.578  -9.783
  176    H3*    G  17           H3*        G  17  -4.000  14.975  -8.158
  177    H2*    G  17           H2*        G  17  -4.845  14.216  -6.178
  178   2HO*    G  17          2HO*        G  17  -6.676  12.367  -7.021
  179    H1*    G  17           H1*        G  17  -5.052  11.423  -6.735
  180    H8     G  17           H8         G  17  -1.458  12.133  -6.711
  181    H1     G  17           H1         G  17  -3.982  12.752  -0.846
  182   1H2     G  17          1H2         G  17  -6.181  12.841  -0.975
  183   2H2     G  17          2H2         G  17  -7.040  12.748  -2.494
  184   1H5*    A  18          1H5*        A  18  -8.547  16.061  -9.628
  185   2H5*    A  18          2H5*        A  18  -8.608  17.822  -9.414
  186    H4*    A  18           H4*        A  18 -10.198  16.434  -7.929
  187    H3*    A  18           H3*        A  18  -8.303  18.631  -7.181
  188    H2*    A  18           H2*        A  18  -8.370  18.265  -4.917
  189   2HO*    A  18          2HO*        A  18 -10.939  18.000  -5.402
  190    H1*    A  18           H1*        A  18  -8.939  15.536  -4.801
  191    H8     A  18           H8         A  18  -6.000  16.906  -6.947
  192   1H6     A  18          1H6         A  18  -2.548  16.012  -1.894
  193   2H6     A  18          2H6         A  18  -2.541  16.484  -3.578
  194    H2     A  18           H2         A  18  -6.808  15.083  -0.850
  195   1H5*    U  19          1H5*        U  19 -12.086  19.958  -4.453
  196   2H5*    U  19          2H5*        U  19 -11.769  21.676  -4.764
  197    H4*    U  19           H4*        U  19 -11.747  20.903  -2.288
  198    H3*    U  19           H3*        U  19  -9.654  22.515  -3.769
  199    H2*    U  19           H2*        U  19  -8.223  22.549  -1.953
  200   2HO*    U  19          2HO*        U  19  -9.907  21.569  -0.003
  201    H1*    U  19           H1*        U  19  -8.903  20.084  -0.800
  202    H3     U  19           H3         U  19  -4.509  19.537  -1.535
  203    H5     U  19           H5         U  19  -6.047  20.191  -5.405
  204    H6     U  19           H6         U  19  -8.229  20.551  -4.406
  205   1H5*    A  20          1H5*        A  20  -8.852  26.798  -3.351
  206   2H5*    A  20          2H5*        A  20  -7.484  25.673  -3.469
  207    H4*    A  20           H4*        A  20  -9.357  25.873  -1.063
  208    H3*    A  20           H3*        A  20  -7.510  27.737  -1.861
  209    H2*    A  20           H2*        A  20  -5.533  26.565  -1.772
  210   2HO*    A  20          2HO*        A  20  -5.801  27.837   0.336
  211    H1*    A  20           H1*        A  20  -6.202  24.584   0.298
  212    H8     A  20           H8         A  20  -6.552  23.628  -3.370
  213   1H6     A  20          1H6         A  20  -0.660  21.748  -3.030
  214   2H6     A  20          2H6         A  20  -2.109  21.755  -4.008
  215    H2     A  20           H2         A  20  -1.632  23.977   0.730
  216   1H5*    C  21          1H5*        C  21  -5.607  30.732   1.766
  217   2H5*    C  21          2H5*        C  21  -5.185  29.604   0.460
  218    H4*    C  21           H4*        C  21  -4.789  28.904   3.398
  219    H3*    C  21           H3*        C  21  -3.237  30.701   1.582
  220    H2*    C  21           H2*        C  21  -1.284  29.509   1.609
  221   2HO*    C  21          2HO*        C  21  -0.590  29.416   3.602
  222    H1*    C  21           H1*        C  21  -2.192  26.947   2.394
  223   1H4     C  21          1H4         C  21   0.398  26.870  -3.469
  224   2H4     C  21          2H4         C  21  -1.223  26.927  -4.125
  225    H5     C  21           H5         C  21  -3.186  27.260  -2.762
  226    H6     C  21           H6         C  21  -4.011  27.610  -0.479
  227   1H5*    A  22          1H5*        A  22  -0.093  33.910   3.795
  228   2H5*    A  22          2H5*        A  22  -0.960  33.250   2.393
  229    H4*    A  22           H4*        A  22   0.909  31.538   4.082
  230    H3*    A  22           H3*        A  22   1.487  33.637   2.024
  231    H2*    A  22           H2*        A  22   2.573  32.261   0.556
  232   2HO*    A  22          2HO*        A  22   3.646  31.366   2.880
  233    H1*    A  22           H1*        A  22   1.582  29.723   1.354
  234    H8     A  22           H8         A  22  -1.436  31.242   0.131
  235   1H6     A  22          1H6         A  22   0.853  31.325  -5.617
  236   2H6     A  22          2H6         A  22  -0.588  31.490  -4.641
  237    H2     A  22           H2         A  22   4.230  30.518  -2.787
  238   1H5*    C  23          1H5*        C  23   4.783  31.736   0.703
  239   2H5*    C  23          2H5*        C  23   6.000  32.480   1.759
  240    H4*    C  23           H4*        C  23   6.999  33.074  -0.220
  241    H3*    C  23           H3*        C  23   4.855  35.079   0.405
  242    H2*    C  23           H2*        C  23   4.612  35.855  -1.731
  243   2HO*    C  23          2HO*        C  23   6.916  35.174  -2.956
  244    H1*    C  23           H1*        C  23   5.757  33.718  -3.222
  245   1H4     C  23          1H4         C  23  -0.241  34.000  -5.227
  246   2H4     C  23          2H4         C  23  -0.851  34.104  -3.590
  247    H5     C  23           H5         C  23   0.571  34.111  -1.650
  248    H6     C  23           H6         C  23   2.889  34.019  -0.855
  249   1H5*    U  24          1H5*        U  24   9.225  36.589  -1.905
  250   2H5*    U  24          2H5*        U  24   8.757  35.441  -0.635
  251    H4*    U  24           H4*        U  24  11.262  37.112  -0.868
  252    H3*    U  24           H3*        U  24  10.699  34.408  -1.176
  253    H2*    U  24           H2*        U  24  10.050  33.876   0.996
  254   2HO*    U  24          2HO*        U  24  12.880  33.892   0.931
  255    H1*    U  24           H1*        U  24  11.920  35.757   2.360
  256    H3     U  24           H3         U  24   9.698  35.303   6.200
  257    H5     U  24           H5         U  24   6.630  34.938   3.333
  258    H6     U  24           H6         U  24   8.304  35.224   1.599
  259   1H5*    A  25          1H5*        A  25  11.417  32.301  -1.291
  260   2H5*    A  25          2H5*        A  25  12.760  31.828  -2.350
  261    H4*    A  25           H4*        A  25  11.330  31.180  -4.081
  262    H3*    A  25           H3*        A  25  10.180  33.675  -3.578
  263    H2*    A  25           H2*        A  25   8.696  33.120  -1.882
  264   2HO*    A  25          2HO*        A  25   7.442  33.436  -3.973
  265    H1*    A  25           H1*        A  25   8.092  30.381  -2.914
  266    H8     A  25           H8         A  25   9.980  31.718   0.239
  267   1H6     A  25          1H6         A  25   5.222  29.343   3.398
  268   2H6     A  25          2H6         A  25   6.775  30.141   3.514
  269    H2     A  25           H2         A  25   4.384  28.825  -0.973
  270   1H5*    U  26          1H5*        U  26   9.698  28.658  -3.421
  271   2H5*    U  26          2H5*        U  26  10.122  28.505  -5.141
  272    H4*    U  26           H4*        U  26   8.222  26.955  -3.780
  273    H3*    U  26           H3*        U  26   9.475  26.828  -6.199
  274    H2*    U  26           H2*        U  26   8.254  28.386  -7.418
  275   2HO*    U  26          2HO*        U  26   7.737  26.371  -8.377
  276    H1*    U  26           H1*        U  26   5.595  27.859  -6.212
  277    H3     U  26           H3         U  26   6.027  31.522  -9.260
  278    H5     U  26           H5         U  26   6.272  32.873  -5.274
  279    H6     U  26           H6         U  26   6.508  30.563  -4.573
  280   1H5*    U  27          1H5*        U  27  10.078  23.087  -3.000
  281   2H5*    U  27          2H5*        U  27   8.379  23.304  -3.463
  282    H4*    U  27           H4*        U  27  10.118  25.375  -2.043
  283    H3*    U  27           H3*        U  27   8.260  23.208  -1.180
  284    H2*    U  27           H2*        U  27   6.712  24.548  -0.183
  285   2HO*    U  27          2HO*        U  27   8.621  26.510   0.521
  286    H1*    U  27           H1*        U  27   7.592  27.136  -1.135
  287    H3     U  27           H3         U  27   2.976  26.439  -0.498
  288    H5     U  27           H5         U  27   3.924  25.673  -4.535
  289    H6     U  27           H6         U  27   6.273  25.729  -3.926
  290   1H5*    U  28          1H5*        U  28   7.426  21.770   2.230
  291   2H5*    U  28          2H5*        U  28   6.761  22.445   0.727
  292    H4*    U  28           H4*        U  28   6.103  23.684   3.424
  293    H3*    U  28           H3*        U  28   5.050  21.163   2.105
  294    H2*    U  28           H2*        U  28   2.838  21.765   2.441
  295   2HO*    U  28          2HO*        U  28   2.171  22.956   4.129
  296    H1*    U  28           H1*        U  28   3.087  24.540   2.221
  297    H3     U  28           H3         U  28   0.111  22.957  -0.875
  298    H5     U  28           H5         U  28   3.913  22.124  -2.490
  299    H6     U  28           H6         U  28   4.890  22.830  -0.382
  300   1H5*    A  29          1H5*        A  29   2.999  21.429   5.852
  301   2H5*    A  29          2H5*        A  29   2.829  19.813   6.561
  302    H4*    A  29           H4*        A  29   0.626  20.995   6.264
  303    H3*    A  29           H3*        A  29   1.311  18.367   4.901
  304    H2*    A  29           H2*        A  29  -0.608  18.394   3.645
  305   2HO*    A  29          2HO*        A  29  -2.265  20.058   4.951
  306    H1*    A  29           H1*        A  29  -1.227  21.210   3.911
  307    H8     A  29           H8         A  29   1.776  20.065   1.795
  308   1H6     A  29          1H6         A  29  -2.225  19.713  -2.907
  309   2H6     A  29          2H6         A  29  -0.543  19.612  -2.435
  310    H2     A  29           H2         A  29  -4.545  20.577   0.831
  311   1H5*    U  30          1H5*        U  30  -2.557  18.859   7.275
  312   2H5*    U  30          2H5*        U  30  -3.136  17.301   7.897
  313    H4*    U  30           H4*        U  30  -4.890  18.775   6.720
  314    H3*    U  30           H3*        U  30  -4.227  15.890   6.253
  315    H2*    U  30           H2*        U  30  -5.408  15.701   4.301
  316   2HO*    U  30          2HO*        U  30  -7.124  17.744   4.277
  317    H1*    U  30           H1*        U  30  -5.546  18.441   3.523
  318    H3     U  30           H3         U  30  -4.386  16.155  -0.204
  319    H5     U  30           H5         U  30  -0.992  15.850   2.277
  320    H6     U  30           H6         U  30  -2.269  16.925   4.042
  321   1H5*    C  31          1H5*        C  31  -6.679  12.403   7.814
  322   2H5*    C  31          2H5*        C  31  -5.485  13.292   6.848
  323    H4*    C  31           H4*        C  31  -8.388  12.998   5.973
  324    H3*    C  31           H3*        C  31  -6.058  11.094   5.841
  325    H2*    C  31           H2*        C  31  -6.145  10.814   3.567
  326   2HO*    C  31          2HO*        C  31  -8.885  11.611   3.620
  327    H1*    C  31           H1*        C  31  -7.447  13.213   2.801
  328   1H4     C  31          1H4         C  31  -1.626  13.275   0.251
  329   2H4     C  31          2H4         C  31  -0.889  13.403   1.833
  330    H5     C  31           H5         C  31  -2.153  13.366   3.884
  331    H6     C  31           H6         C  31  -4.395  13.195   4.860
  332   1H5*    A  32          1H5*        A  32  -7.093   7.008   3.730
  333   2H5*    A  32          2H5*        A  32  -5.727   7.908   3.038
  334    H4*    A  32           H4*        A  32  -8.683   8.523   2.571
  335    H3*    A  32           H3*        A  32  -6.644   6.802   1.231
  336    H2*    A  32           H2*        A  32  -6.682   7.843  -0.811
  337   2HO*    A  32          2HO*        A  32  -9.352   8.022  -0.199
  338    H1*    A  32           H1*        A  32  -7.511  10.424  -0.165
  339    H8     A  32           H8         A  32  -4.636  10.455   1.919
  340   1H6     A  32          1H6         A  32  -0.914   9.789  -2.980
  341   2H6     A  32          2H6         A  32  -1.002  10.221  -1.287
  342    H2     A  32           H2         A  32  -5.085   8.755  -4.249
  343   1H5*    A  33          1H5*        A  33  -8.695   7.122  -2.025
  344   2H5*    A  33          2H5*        A  33  -9.543   5.579  -2.250
  345    H4*    A  33           H4*        A  33  -8.406   6.004  -4.324
  346    H3*    A  33           H3*        A  33  -7.341   3.886  -2.474
  347    H2*    A  33           H2*        A  33  -5.263   3.683  -3.450
  348   2HO*    A  33          2HO*        A  33  -6.009   5.019  -5.819
  349    H1*    A  33           H1*        A  33  -4.824   6.221  -4.444
  350    H8     A  33           H8         A  33  -6.119   5.810  -0.812
  351   1H6     A  33          1H6         A  33  -0.148   5.692   0.793
  352   2H6     A  33          2H6         A  33  -1.798   5.705   1.376
  353    H2     A  33           H2         A  33  -0.382   5.780  -3.684
  354   1H5*    U  34          1H5*        U  34  -6.884   1.648  -6.154
  355   2H5*    U  34          2H5*        U  34  -6.500   0.002  -5.612
  356    H4*    U  34           H4*        U  34  -4.624   1.936  -6.299
  357    H3*    U  34           H3*        U  34  -4.558  -0.656  -4.712
  358    H2*    U  34           H2*        U  34  -2.555  -0.167  -3.720
  359   2HO*    U  34          2HO*        U  34  -1.265  -0.033  -5.481
  360    H1*    U  34           H1*        U  34  -2.560   2.682  -4.060
  361    H3     U  34           H3         U  34  -1.081   1.121   0.076
  362    H5     U  34           H5         U  34  -5.246   1.712   0.359
  363    H6     U  34           H6         U  34  -5.302   1.997  -2.052
  364   1H5*    G  35          1H5*        G  35  -4.925  -4.332  -5.883
  365   2H5*    G  35          2H5*        G  35  -5.233  -3.597  -4.295
  366    H4*    G  35           H4*        G  35  -2.594  -3.513  -5.832
  367    H3*    G  35           H3*        G  35  -3.768  -5.213  -3.643
  368    H2*    G  35           H2*        G  35  -2.138  -4.803  -2.100
  369   2HO*    G  35          2HO*        G  35  -0.200  -4.211  -4.082
  370    H1*    G  35           H1*        G  35  -0.940  -2.459  -3.221
  371    H8     G  35           H8         G  35  -4.489  -1.975  -1.986
  372    H1     G  35           H1         G  35  -0.107  -1.949   2.698
  373   1H2     G  35          1H2         G  35   1.841  -2.624   1.918
  374   2H2     G  35          2H2         G  35   2.077  -3.080   0.247
  375   1H5*    G  36          1H5*        G  36  -1.351  -7.139  -2.308
  376   2H5*    G  36          2H5*        G  36  -0.302  -6.358  -3.507
  377    H4*    G  36           H4*        G  36   1.190  -8.402  -3.448
  378    H3*    G  36           H3*        G  36  -1.102  -9.450  -1.990
  379    H2*    G  36           H2*        G  36  -0.384  -9.508   0.166
  380   2HO*    G  36          2HO*        G  36   1.829 -10.166   0.614
  381    H1*    G  36           H1*        G  36   1.966  -7.997   0.210
  382    H8     G  36           H8         G  36  -0.477  -5.534  -0.902
  383    H1     G  36           H1         G  36  -1.860  -7.545   5.029
  384   1H2     G  36          1H2         G  36  -0.715  -9.360   5.507
  385   2H2     G  36          2H2         G  36   0.396 -10.097   4.376
  386   1H5*    A  37          1H5*        A  37   3.815 -12.880  -2.831
  387   2H5*    A  37          2H5*        A  37   2.292 -13.726  -2.488
  388    H4*    A  37           H4*        A  37   4.404 -14.593  -1.273
  389    H3*    A  37           H3*        A  37   1.644 -14.175  -0.363
  390    H2*    A  37           H2*        A  37   2.048 -13.252   1.677
  391   2HO*    A  37          2HO*        A  37   3.934 -14.934   2.653
  392    H1*    A  37           H1*        A  37   4.975 -13.622   1.755
  393    H8     A  37           H8         A  37   4.493 -10.302   0.473
  394   1H6     A  37          1H6         A  37   3.055  -8.300   6.147
  395   2H6     A  37          2H6         A  37   3.527  -7.829   4.528
  396    H2     A  37           H2         A  37   2.793 -12.775   6.144
  397   1H5*    U  38          1H5*        U  38   0.260 -16.744   2.784
  398   2H5*    U  38          2H5*        U  38   1.759 -15.797   2.709
  399    H4*    U  38           H4*        U  38   1.147 -18.266   4.332
  400    H3*    U  38           H3*        U  38   1.431 -15.571   4.932
  401    H2*    U  38           H2*        U  38   3.656 -15.194   4.449
  402   2HO*    U  38          2HO*        U  38   3.642 -16.553   6.931
  403    H1*    U  38           H1*        U  38   4.730 -17.874   5.058
  404    H3     U  38           H3         U  38   8.154 -15.694   2.994
  405    H5     U  38           H5         U  38   5.298 -16.373  -0.031
  406    H6     U  38           H6         U  38   3.753 -17.116   1.687
  407   1H5*    G  39          1H5*        G  39   0.809 -21.254   6.729
  408   2H5*    G  39          2H5*        G  39   0.737 -20.226   5.285
  409    H4*    G  39           H4*        G  39  -1.582 -20.226   7.237
  410    H3*    G  39           H3*        G  39  -0.662 -22.462   5.457
  411    H2*    G  39           H2*        G  39  -2.605 -22.613   4.236
  412   2HO*    G  39          2HO*        G  39  -4.294 -21.128   5.838
  413    H1*    G  39           H1*        G  39  -3.563 -20.000   4.373
  414    H8     G  39           H8         G  39  -0.350 -19.225   3.023
  415    H1     G  39           H1         G  39  -3.397 -23.181  -1.000
  416   1H2     G  39          1H2         G  39  -5.113 -24.119   0.008
  417   2H2     G  39          2H2         G  39  -5.522 -23.791   1.676
  418   1H5*    U  40          1H5*        U  40  -3.140 -25.403   7.957
  419   2H5*    U  40          2H5*        U  40  -2.175 -26.833   7.552
  420    H4*    U  40           H4*        U  40  -4.578 -26.407   6.436
  421    H3*    U  40           H3*        U  40  -2.033 -27.686   5.453
  422    H2*    U  40           H2*        U  40  -2.712 -27.760   3.259
  423   2HO*    U  40          2HO*        U  40  -4.602 -28.630   2.961
  424    H1*    U  40           H1*        U  40  -4.451 -25.558   3.180
  425    H3     U  40           H3         U  40  -1.193 -25.337  -0.066
  426    H5     U  40           H5         U  40   0.526 -23.715   3.424
  427    H6     U  40           H6         U  40  -1.410 -24.497   4.661
  428   1H5*    C  41          1H5*        C  41  -4.022 -32.183   5.757
  429   2H5*    C  41          2H5*        C  41  -2.344 -32.761   5.719
  430    H4*    C  41           H4*        C  41  -4.101 -33.207   3.689
  431    H3*    C  41           H3*        C  41  -1.093 -32.904   3.848
  432    H2*    C  41           H2*        C  41  -0.854 -32.820   1.546
  433   2HO*    C  41          2HO*        C  41  -3.505 -33.873   1.336
  434    H1*    C  41           H1*        C  41  -3.182 -31.470   0.876
  435   1H4     C  41          1H4         C  41   1.882 -27.583   0.524
  436   2H4     C  41          2H4         C  41   1.719 -27.207   2.226
  437    H5     C  41           H5         C  41   0.104 -28.283   3.666
  438    H6     C  41           H6         C  41  -1.683 -29.961   3.782
  439   1H5*    U  42          1H5*        U  42  -1.189 -36.505   1.454
  440   2H5*    U  42          2H5*        U  42   0.514 -36.985   1.368
  441    H4*    U  42           H4*        U  42  -0.800 -35.531  -0.577
  442    H3*    U  42           H3*        U  42   2.084 -36.004   0.182
  443    H2*    U  42           H2*        U  42   2.852 -34.208  -1.003
  444   2HO*    U  42          2HO*        U  42   2.328 -34.599  -3.036
  445    H1*    U  42           H1*        U  42   0.436 -32.687  -1.206
  446    H3     U  42           H3         U  42   4.107 -30.055  -0.251
  447    H5     U  42           H5         U  42   2.699 -31.546   3.433
  448    H6     U  42           H6         U  42   1.247 -33.047   2.194
  449   1H5*    C  43          1H5*        C  43   4.486 -39.067  -0.620
  450   2H5*    C  43          2H5*        C  43   3.968 -37.469  -0.045
  451    H4*    C  43           H4*        C  43   5.619 -37.749  -2.577
  452    H3*    C  43           H3*        C  43   6.402 -38.111   0.291
  453    H2*    C  43           H2*        C  43   7.858 -36.383   0.406
  454   2HO*    C  43          2HO*        C  43   9.494 -36.661  -0.875
  455    H1*    C  43           H1*        C  43   7.119 -34.953  -1.985
  456   1H4     C  43          1H4         C  43   6.768 -30.732   2.749
  457   2H4     C  43          2H4         C  43   5.538 -31.676   3.559
  458    H5     C  43           H5         C  43   4.762 -33.805   2.750
  459    H6     C  43           H6         C  43   4.999 -35.498   0.993
  460    H3T    C  43           H3T        C  43   7.066 -39.713  -1.009
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  13.636 -21.226   0.866
    2   2H5*    G   1          2H5*        G   1  15.382 -21.399   0.597
    3    H4*    G   1           H4*        G   1  14.991 -22.743  -1.411
    4    H3*    G   1           H3*        G   1  12.259 -21.564  -1.097
    5    H2*    G   1           H2*        G   1  11.121 -23.521  -0.960
    6   2HO*    G   1          2HO*        G   1  12.875 -24.616  -2.925
    7    H1*    G   1           H1*        G   1  13.411 -25.354  -0.956
    8    H8     G   1           H8         G   1  12.420 -23.792   2.349
    9    H1     G   1           H1         G   1   8.927 -28.940   0.786
   10   1H2     G   1          1H2         G   1   9.330 -29.527  -1.299
   11   2H2     G   1          2H2         G   1  10.456 -28.658  -2.319
   12    H5T    G   1           H5T        G   1  13.130 -18.279   0.062
   13   1H5*    A   2          1H5*        A   2  12.081 -23.736  -6.044
   14   2H5*    A   2          2H5*        A   2  11.073 -22.303  -6.321
   15    H4*    A   2           H4*        A   2   9.983 -24.422  -7.111
   16    H3*    A   2           H3*        A   2   8.850 -22.581  -5.020
   17    H2*    A   2           H2*        A   2   7.194 -24.024  -4.375
   18   2HO*    A   2          2HO*        A   2   7.321 -25.214  -6.967
   19    H1*    A   2           H1*        A   2   8.296 -26.489  -5.314
   20    H8     A   2           H8         A   2  10.352 -24.881  -2.579
   21   1H6     A   2          1H6         A   2   6.348 -27.327   1.453
   22   2H6     A   2          2H6         A   2   7.880 -26.502   1.263
   23    H2     A   2           H2         A   2   4.681 -27.878  -2.672
   24   1H5*    G   3          1H5*        G   3   5.683 -23.347  -8.974
   25   2H5*    G   3          2H5*        G   3   4.276 -22.441  -8.384
   26    H4*    G   3           H4*        G   3   4.191 -25.105  -8.997
   27    H3*    G   3           H3*        G   3   2.607 -23.287  -7.180
   28    H2*    G   3           H2*        G   3   1.614 -25.024  -6.015
   29   2HO*    G   3          2HO*        G   3   1.457 -27.128  -6.869
   30    H1*    G   3           H1*        G   3   3.655 -26.877  -6.002
   31    H8     G   3           H8         G   3   5.146 -23.530  -5.111
   32    H1     G   3           H1         G   3   1.649 -26.036  -0.353
   33   1H2     G   3          1H2         G   3   0.507 -27.770  -1.076
   34   2H2     G   3          2H2         G   3   0.590 -28.331  -2.731
   35   1H5*    A   4          1H5*        A   4  -1.494 -24.174  -9.783
   36   2H5*    A   4          2H5*        A   4  -1.978 -22.524  -9.342
   37    H4*    A   4           H4*        A   4  -3.360 -24.660  -8.482
   38    H3*    A   4           H3*        A   4  -2.768 -21.957  -7.303
   39    H2*    A   4           H2*        A   4  -3.413 -22.518  -5.166
   40   2HO*    A   4          2HO*        A   4  -4.678 -24.858  -5.379
   41    H1*    A   4           H1*        A   4  -2.820 -25.241  -5.116
   42    H8     A   4           H8         A   4   0.217 -23.337  -6.298
   43   1H6     A   4          1H6         A   4   1.197 -21.792  -0.383
   44   2H6     A   4          2H6         A   4   1.863 -21.792  -2.000
   45    H2     A   4           H2         A   4  -2.855 -23.685  -0.675
   46   1H5*    C   5          1H5*        C   5  -7.830 -22.607  -6.675
   47   2H5*    C   5          2H5*        C   5  -8.033 -20.842  -6.666
   48    H4*    C   5           H4*        C   5  -8.970 -22.281  -4.644
   49    H3*    C   5           H3*        C   5  -7.659 -19.583  -4.792
   50    H2*    C   5           H2*        C   5  -7.146 -19.428  -2.556
   51   2HO*    C   5          2HO*        C   5  -8.336 -20.509  -0.954
   52    H1*    C   5           H1*        C   5  -6.790 -22.086  -1.858
   53   1H4     C   5          1H4         C   5  -0.966 -19.572  -2.188
   54   2H4     C   5          2H4         C   5  -1.113 -19.329  -3.915
   55    H5     C   5           H5         C   5  -3.117 -19.845  -5.152
   56    H6     C   5           H6         C   5  -5.409 -20.703  -5.000
   57   1H5*    U   6          1H5*        U   6 -11.074 -20.518  -1.900
   58   2H5*    U   6          2H5*        U   6 -12.030 -19.065  -1.550
   59    H4*    U   6           H4*        U   6 -11.376 -20.517   0.481
   60    H3*    U   6           H3*        U   6 -11.255 -17.586   0.064
   61    H2*    U   6           H2*        U   6  -9.685 -17.088   1.636
   62   2HO*    U   6          2HO*        U   6 -11.248 -18.710   3.068
   63    H1*    U   6           H1*        U   6  -8.388 -19.550   2.048
   64    H3     U   6           H3         U   6  -4.973 -16.725   1.260
   65    H5     U   6           H5         U   6  -7.142 -16.666  -2.355
   66    H6     U   6           H6         U   6  -8.807 -18.083  -1.299
   67   1H5*    A   7          1H5*        A   7 -13.721 -14.636   1.087
   68   2H5*    A   7          2H5*        A   7 -12.243 -14.487   0.115
   69    H4*    A   7           H4*        A   7 -12.366 -15.552   2.974
   70    H3*    A   7           H3*        A   7 -12.424 -12.882   1.923
   71    H2*    A   7           H2*        A   7 -10.199 -12.500   1.616
   72   2HO*    A   7          2HO*        A   7  -9.556 -13.111   4.269
   73    H1*    A   7           H1*        A   7  -9.163 -14.741   3.267
   74    H8     A   7           H8         A   7  -9.496 -14.842  -0.569
   75   1H6     A   7          1H6         A   7  -3.546 -13.148  -0.658
   76   2H6     A   7          2H6         A   7  -4.906 -13.679  -1.621
   77    H2     A   7           H2         A   7  -4.989 -12.949   3.581
   78   1H5*    U   8          1H5*        U   8 -10.926 -13.672   7.682
   79   2H5*    U   8          2H5*        U   8 -11.284 -12.001   7.203
   80    H4*    U   8           H4*        U   8  -8.588 -13.243   7.841
   81    H3*    U   8           H3*        U   8 -10.384 -11.768   9.348
   82    H2*    U   8           H2*        U   8 -10.418  -9.711   8.337
   83   2HO*    U   8          2HO*        U   8  -8.167  -9.871   9.888
   84    H1*    U   8           H1*        U   8  -7.824  -9.644   7.006
   85    H3     U   8           H3         U   8 -10.893  -6.561   5.321
   86    H5     U   8           H5         U   8 -11.429 -10.191   3.243
   87    H6     U   8           H6         U   8 -10.009 -11.266   4.891
   88   1H5*    C   9          1H5*        C   9  -5.290 -12.554  11.102
   89   2H5*    C   9          2H5*        C   9  -5.892 -11.662   9.689
   90    H4*    C   9           H4*        C   9  -3.909 -13.985   9.640
   91    H3*    C   9           H3*        C   9  -3.701 -11.047   9.801
   92    H2*    C   9           H2*        C   9  -2.952 -10.630   7.692
   93   2HO*    C   9          2HO*        C   9  -1.249 -12.827   8.290
   94    H1*    C   9           H1*        C   9  -3.016 -13.347   6.612
   95   1H4     C   9          1H4         C   9  -5.299  -9.392   2.136
   96   2H4     C   9          2H4         C   9  -6.872  -9.512   2.888
   97    H5     C   9           H5         C   9  -7.256 -10.636   4.976
   98    H6     C   9           H6         C   9  -6.218 -11.893   6.805
   99   1H5*    G  10          1H5*        G  10  -0.138 -10.408   8.261
  100   2H5*    G  10          2H5*        G  10   0.834 -10.226   9.735
  101    H4*    G  10           H4*        G  10   1.100  -8.182   8.482
  102    H3*    G  10           H3*        G  10  -0.034  -8.287  11.086
  103    H2*    G  10           H2*        G  10  -2.113  -7.409  10.684
  104   2HO*    G  10          2HO*        G  10  -0.737  -5.034   9.930
  105    H1*    G  10           H1*        G  10  -1.440  -5.953   8.180
  106    H8     G  10           H8         G  10  -3.227  -8.549   6.788
  107    H1     G  10           H1         G  10  -7.229  -5.469  10.742
  108   1H2     G  10          1H2         G  10  -6.087  -4.222  12.157
  109   2H2     G  10          2H2         G  10  -4.340  -4.137  12.135
  110   1H5*    A  11          1H5*        A  11   3.252  -3.472  11.403
  111   2H5*    A  11          2H5*        A  11   1.798  -3.927  10.492
  112    H4*    A  11           H4*        A  11   4.466  -5.384  10.226
  113    H3*    A  11           H3*        A  11   3.405  -2.841   9.069
  114    H2*    A  11           H2*        A  11   3.487  -3.490   6.878
  115   2HO*    A  11          2HO*        A  11   5.147  -4.786   6.076
  116    H1*    A  11           H1*        A  11   3.583  -6.320   7.154
  117    H8     A  11           H8         A  11   0.590  -4.103   8.276
  118   1H6     A  11          1H6         A  11  -1.796  -5.463   2.730
  119   2H6     A  11          2H6         A  11  -2.081  -4.669   4.263
  120    H2     A  11           H2         A  11   2.328  -7.201   2.938
  121   1H5*    C  12          1H5*        C  12   7.796  -2.028   7.615
  122   2H5*    C  12          2H5*        C  12   6.194  -2.736   7.325
  123    H4*    C  12           H4*        C  12   8.587  -3.772   5.786
  124    H3*    C  12           H3*        C  12   7.293  -1.073   5.578
  125    H2*    C  12           H2*        C  12   6.652  -1.289   3.392
  126   2HO*    C  12          2HO*        C  12   8.260  -3.326   2.528
  127    H1*    C  12           H1*        C  12   6.614  -4.108   3.108
  128   1H4     C  12          1H4         C  12   0.646  -2.154   2.221
  129   2H4     C  12          2H4         C  12   0.573  -1.477   3.834
  130    H5     C  12           H5         C  12   2.441  -1.487   5.355
  131    H6     C  12           H6         C  12   4.782  -2.148   5.657
  132   1H5*    A  13          1H5*        A  13   9.579   2.239   2.794
  133   2H5*    A  13          2H5*        A  13   8.122   1.501   3.492
  134    H4*    A  13           H4*        A  13   9.263   0.542   0.843
  135    H3*    A  13           H3*        A  13   7.879   3.082   1.506
  136    H2*    A  13           H2*        A  13   5.903   2.630   0.487
  137   2HO*    A  13          2HO*        A  13   7.125   1.199  -1.620
  138    H1*    A  13           H1*        A  13   6.397  -0.141  -0.306
  139    H8     A  13           H8         A  13   5.293   0.904   3.236
  140   1H6     A  13          1H6         A  13  -0.472  -0.153   1.273
  141   2H6     A  13          2H6         A  13   0.535   0.230   2.651
  142    H2     A  13           H2         A  13   2.282  -0.513  -2.249
  143   1H5*    U  14          1H5*        U  14   8.582   2.538  -2.850
  144   2H5*    U  14          2H5*        U  14   9.165   4.017  -3.643
  145    H4*    U  14           H4*        U  14   7.251   2.879  -4.861
  146    H3*    U  14           H3*        U  14   7.603   5.680  -4.106
  147    H2*    U  14           H2*        U  14   5.495   6.167  -3.414
  148   2HO*    U  14          2HO*        U  14   3.793   5.803  -5.053
  149    H1*    U  14           H1*        U  14   4.172   3.656  -4.250
  150    H3     U  14           H3         U  14   1.138   5.230  -1.318
  151    H5     U  14           H5         U  14   4.658   4.919   0.979
  152    H6     U  14           H6         U  14   5.849   4.316  -1.049
  153   1H5*    U  15          1H5*        U  15   4.847   4.923  -7.223
  154   2H5*    U  15          2H5*        U  15   5.344   5.514  -8.822
  155    H4*    U  15           H4*        U  15   2.850   5.601  -8.456
  156    H3*    U  15           H3*        U  15   4.660   7.701  -9.387
  157    H2*    U  15           H2*        U  15   3.556   9.553  -8.652
  158   2HO*    U  15          2HO*        U  15   1.773   9.438  -9.877
  159    H1*    U  15           H1*        U  15   1.801   8.598  -6.696
  160    H3     U  15           H3         U  15   4.497  12.217  -5.513
  161    H5     U  15           H5         U  15   6.494   8.703  -4.316
  162    H6     U  15           H6         U  15   4.863   7.424  -5.580
  163   1H5*    U  16          1H5*        U  16   0.784   6.816  -9.796
  164   2H5*    U  16          2H5*        U  16   0.048   6.318 -11.334
  165    H4*    U  16           H4*        U  16  -1.929   7.458 -10.907
  166    H3*    U  16           H3*        U  16  -0.041   9.483  -9.824
  167    H2*    U  16           H2*        U  16  -1.068   9.879  -7.838
  168   2HO*    U  16          2HO*        U  16  -3.674   9.443  -8.318
  169    H1*    U  16           H1*        U  16  -3.024   7.767  -7.785
  170    H3     U  16           H3         U  16  -1.368   8.785  -3.590
  171    H5     U  16           H5         U  16   1.379   6.119  -5.354
  172    H6     U  16           H6         U  16   0.193   6.391  -7.456
  173   1H5*    G  17          1H5*        G  17  -3.738  13.865 -10.614
  174   2H5*    G  17          2H5*        G  17  -2.910  12.950  -9.338
  175    H4*    G  17           H4*        G  17  -5.615  12.086 -10.433
  176    H3*    G  17           H3*        G  17  -4.877  14.357  -8.635
  177    H2*    G  17           H2*        G  17  -6.000  13.626  -6.781
  178   2HO*    G  17          2HO*        G  17  -7.944  13.476  -8.360
  179    H1*    G  17           H1*        G  17  -6.217  10.861  -7.274
  180    H8     G  17           H8         G  17  -2.590  11.577  -7.210
  181    H1     G  17           H1         G  17  -5.247  12.166  -1.401
  182   1H2     G  17          1H2         G  17  -7.444  12.222  -1.574
  183   2H2     G  17          2H2         G  17  -8.267  12.113  -3.113
  184   1H5*    A  18          1H5*        A  18  -9.176  16.123 -10.168
  185   2H5*    A  18          2H5*        A  18  -8.876  17.809  -9.698
  186    H4*    A  18           H4*        A  18 -10.705  16.412  -8.401
  187    H3*    A  18           H3*        A  18  -8.646  18.391  -7.474
  188    H2*    A  18           H2*        A  18  -8.833  17.887  -5.240
  189   2HO*    A  18          2HO*        A  18 -11.430  16.879  -5.867
  190    H1*    A  18           H1*        A  18  -9.604  15.207  -5.343
  191    H8     A  18           H8         A  18  -6.492  16.426  -7.315
  192   1H6     A  18          1H6         A  18  -3.310  15.064  -2.187
  193   2H6     A  18          2H6         A  18  -3.202  15.593  -3.851
  194    H2     A  18           H2         A  18  -7.667  14.466  -1.321
  195   1H5*    U  19          1H5*        U  19 -12.337  19.271  -4.785
  196   2H5*    U  19          2H5*        U  19 -12.369  21.034  -4.975
  197    H4*    U  19           H4*        U  19 -12.380  20.342  -2.568
  198    H3*    U  19           H3*        U  19 -10.183  21.977  -3.851
  199    H2*    U  19           H2*        U  19  -8.873  21.972  -1.941
  200   2HO*    U  19          2HO*        U  19 -10.802  20.938  -0.208
  201    H1*    U  19           H1*        U  19  -9.542  19.477  -0.906
  202    H3     U  19           H3         U  19  -5.168  18.851  -1.638
  203    H5     U  19           H5         U  19  -6.621  19.865  -5.464
  204    H6     U  19           H6         U  19  -8.815  20.175  -4.475
  205   1H5*    A  20          1H5*        A  20  -9.246  26.375  -2.093
  206   2H5*    A  20          2H5*        A  20  -8.709  24.833  -2.790
  207    H4*    A  20           H4*        A  20  -8.840  25.042   0.213
  208    H3*    A  20           H3*        A  20  -7.333  26.928  -1.445
  209    H2*    A  20           H2*        A  20  -5.372  25.777  -1.578
  210   2HO*    A  20          2HO*        A  20  -5.382  25.585   1.256
  211    H1*    A  20           H1*        A  20  -5.993  23.753   0.513
  212    H8     A  20           H8         A  20  -6.388  22.956  -3.195
  213   1H6     A  20          1H6         A  20  -0.613  20.730  -2.906
  214   2H6     A  20          2H6         A  20  -2.055  20.860  -3.890
  215    H2     A  20           H2         A  20  -1.484  22.852   0.939
  216   1H5*    C  21          1H5*        C  21  -4.467  30.059   0.877
  217   2H5*    C  21          2H5*        C  21  -3.454  28.771   0.192
  218    H4*    C  21           H4*        C  21  -5.027  28.646   2.805
  219    H3*    C  21           H3*        C  21  -2.315  29.449   2.021
  220    H2*    C  21           H2*        C  21  -1.079  27.693   2.788
  221   2HO*    C  21          2HO*        C  21  -1.970  26.523   4.749
  222    H1*    C  21           H1*        C  21  -2.941  25.645   3.164
  223   1H4     C  21          1H4         C  21   1.190  24.330  -1.567
  224   2H4     C  21          2H4         C  21  -0.090  24.711  -2.698
  225    H5     C  21           H5         C  21  -2.207  25.655  -2.027
  226    H6     C  21           H6         C  21  -3.547  26.436  -0.127
  227   1H5*    A  22          1H5*        A  22  -0.890  32.972   2.643
  228   2H5*    A  22          2H5*        A  22  -0.896  32.125   1.083
  229    H4*    A  22           H4*        A  22   0.031  30.974   3.758
  230    H3*    A  22           H3*        A  22   1.338  32.361   1.455
  231    H2*    A  22           H2*        A  22   2.751  30.669   0.832
  232   2HO*    A  22          2HO*        A  22   2.736  30.151   3.589
  233    H1*    A  22           H1*        A  22   1.430  28.395   1.745
  234    H8     A  22           H8         A  22  -1.223  29.487  -0.326
  235   1H6     A  22          1H6         A  22   2.328  29.106  -5.383
  236   2H6     A  22          2H6         A  22   0.691  29.245  -4.781
  237    H2     A  22           H2         A  22   5.003  28.973  -1.791
  238   1H5*    C  23          1H5*        C  23   4.810  30.493   1.730
  239   2H5*    C  23          2H5*        C  23   5.815  31.708   2.544
  240    H4*    C  23           H4*        C  23   6.959  31.285   0.500
  241    H3*    C  23           H3*        C  23   5.677  33.846   0.927
  242    H2*    C  23           H2*        C  23   4.389  33.959  -0.958
  243   2HO*    C  23          2HO*        C  23   5.553  35.009  -2.351
  244    H1*    C  23           H1*        C  23   5.814  31.888  -2.543
  245   1H4     C  23          1H4         C  23  -0.001  31.661  -5.026
  246   2H4     C  23          2H4         C  23  -0.746  32.010  -3.482
  247    H5     C  23           H5         C  23   0.512  32.354  -1.460
  248    H6     C  23           H6         C  23   2.755  32.437  -0.477
  249   1H5*    U  24          1H5*        U  24  11.044  34.971  -0.402
  250   2H5*    U  24          2H5*        U  24  10.106  33.501  -0.060
  251    H4*    U  24           H4*        U  24  12.240  34.212   1.440
  252    H3*    U  24           H3*        U  24  10.174  32.354   1.646
  253    H2*    U  24           H2*        U  24   8.767  33.452   3.124
  254   2HO*    U  24          2HO*        U  24   9.190  32.198   4.765
  255    H1*    U  24           H1*        U  24  10.904  34.984   4.533
  256    H3     U  24           H3         U  24   7.884  37.744   6.310
  257    H5     U  24           H5         U  24   6.142  36.772   2.597
  258    H6     U  24           H6         U  24   8.066  35.364   2.136
  259   1H5*    A  25          1H5*        A  25  12.956  29.685   0.396
  260   2H5*    A  25          2H5*        A  25  12.474  31.333  -0.061
  261    H4*    A  25           H4*        A  25  11.960  29.291  -1.690
  262    H3*    A  25           H3*        A  25  10.990  31.874  -1.434
  263    H2*    A  25           H2*        A  25   9.100  31.481  -0.141
  264   2HO*    A  25          2HO*        A  25   8.393  30.902  -2.821
  265    H1*    A  25           H1*        A  25   8.461  28.828  -1.358
  266    H8     A  25           H8         A  25   9.541  30.279   2.127
  267   1H6     A  25          1H6         A  25   4.250  27.792   4.140
  268   2H6     A  25          2H6         A  25   5.687  28.682   4.591
  269    H2     A  25           H2         A  25   4.561  27.017  -0.263
  270   1H5*    U  26          1H5*        U  26  10.002  26.956  -1.391
  271   2H5*    U  26          2H5*        U  26  11.055  26.823  -2.816
  272    H4*    U  26           H4*        U  26   8.931  25.155  -2.360
  273    H3*    U  26           H3*        U  26  10.800  25.488  -4.387
  274    H2*    U  26           H2*        U  26   9.615  26.921  -5.780
  275   2HO*    U  26          2HO*        U  26   7.839  25.158  -6.717
  276    H1*    U  26           H1*        U  26   6.910  25.837  -5.105
  277    H3     U  26           H3         U  26   6.544  29.343  -8.181
  278    H5     U  26           H5         U  26   6.903  31.028  -4.332
  279    H6     U  26           H6         U  26   7.488  28.829  -3.496
  280   1H5*    U  27          1H5*        U  27  10.011  21.640  -0.952
  281   2H5*    U  27          2H5*        U  27   8.734  22.174  -2.062
  282    H4*    U  27           H4*        U  27   9.964  23.999   0.048
  283    H3*    U  27           H3*        U  27   7.851  21.868   0.213
  284    H2*    U  27           H2*        U  27   6.216  23.261   1.033
  285   2HO*    U  27          2HO*        U  27   6.710  25.070   2.328
  286    H1*    U  27           H1*        U  27   7.136  25.765   0.100
  287    H3     U  27           H3         U  27   2.668  24.269  -0.566
  288    H5     U  27           H5         U  27   4.832  24.002  -4.174
  289    H6     U  27           H6         U  27   6.867  24.370  -2.904
  290   1H5*    U  28          1H5*        U  28   6.650  18.972   2.232
  291   2H5*    U  28          2H5*        U  28   6.632  20.403   1.180
  292    H4*    U  28           H4*        U  28   5.968  20.965   4.024
  293    H3*    U  28           H3*        U  28   4.451  18.911   2.394
  294    H2*    U  28           H2*        U  28   2.402  19.917   2.801
  295   2HO*    U  28          2HO*        U  28   2.909  21.815   4.615
  296    H1*    U  28           H1*        U  28   3.175  22.580   2.869
  297    H3     U  28           H3         U  28   0.121  21.538  -0.453
  298    H5     U  28           H5         U  28   3.942  20.875  -2.103
  299    H6     U  28           H6         U  28   4.882  21.182   0.113
  300   1H5*    A  29          1H5*        A  29   2.516  19.472   5.490
  301   2H5*    A  29          2H5*        A  29   2.152  18.187   6.658
  302    H4*    A  29           H4*        A  29   0.051  19.244   6.264
  303    H3*    A  29           H3*        A  29   0.506  16.671   4.707
  304    H2*    A  29           H2*        A  29  -1.388  16.962   3.448
  305   2HO*    A  29          2HO*        A  29  -3.003  18.586   4.724
  306    H1*    A  29           H1*        A  29  -1.763  19.793   3.939
  307    H8     A  29           H8         A  29   1.148  18.634   1.725
  308   1H6     A  29          1H6         A  29  -2.871  18.859  -2.970
  309   2H6     A  29          2H6         A  29  -1.197  18.635  -2.515
  310    H2     A  29           H2         A  29  -5.139  19.549   0.838
  311   1H5*    U  30          1H5*        U  30  -3.335  17.328   7.125
  312   2H5*    U  30          2H5*        U  30  -4.066  15.780   7.593
  313    H4*    U  30           H4*        U  30  -5.651  17.532   6.549
  314    H3*    U  30           H3*        U  30  -5.297  14.641   5.881
  315    H2*    U  30           H2*        U  30  -6.456  14.715   3.909
  316   2HO*    U  30          2HO*        U  30  -8.385  15.576   3.900
  317    H1*    U  30           H1*        U  30  -6.280  17.486   3.297
  318    H3     U  30           H3         U  30  -5.268  15.242  -0.508
  319    H5     U  30           H5         U  30  -1.946  14.577   2.000
  320    H6     U  30           H6         U  30  -3.162  15.679   3.790
  321   1H5*    C  31          1H5*        C  31  -8.313  11.380   7.185
  322   2H5*    C  31          2H5*        C  31  -6.940  12.048   6.282
  323    H4*    C  31           H4*        C  31  -9.820  12.098   5.270
  324    H3*    C  31           H3*        C  31  -7.646  10.037   5.197
  325    H2*    C  31           H2*        C  31  -7.567   9.852   2.919
  326   2HO*    C  31          2HO*        C  31 -10.327  10.483   3.088
  327    H1*    C  31           H1*        C  31  -8.723  12.333   2.145
  328   1H4     C  31          1H4         C  31  -2.800  12.179  -0.151
  329   2H4     C  31          2H4         C  31  -2.128  12.204   1.464
  330    H5     C  31           H5         C  31  -3.481  12.162   3.457
  331    H6     C  31           H6         C  31  -5.770  12.079   4.332
  332   1H5*    A  32          1H5*        A  32  -9.006   6.173   2.848
  333   2H5*    A  32          2H5*        A  32  -7.360   6.738   2.499
  334    H4*    A  32           H4*        A  32  -9.953   7.964   1.454
  335    H3*    A  32           H3*        A  32  -8.015   5.945   0.494
  336    H2*    A  32           H2*        A  32  -7.285   7.049  -1.368
  337   2HO*    A  32          2HO*        A  32  -9.225   7.168  -2.424
  338    H1*    A  32           H1*        A  32  -7.858   9.726  -0.773
  339    H8     A  32           H8         A  32  -5.617   9.251   1.924
  340   1H6     A  32          1H6         A  32  -0.942   8.082  -1.960
  341   2H6     A  32          2H6         A  32  -1.380   8.495  -0.318
  342    H2     A  32           H2         A  32  -4.777   7.747  -4.255
  343   1H5*    A  33          1H5*        A  33  -8.372   2.627  -1.657
  344   2H5*    A  33          2H5*        A  33  -7.573   4.072  -1.003
  345    H4*    A  33           H4*        A  33  -8.202   3.905  -3.962
  346    H3*    A  33           H3*        A  33  -6.269   2.246  -2.402
  347    H2*    A  33           H2*        A  33  -4.357   2.989  -3.433
  348   2HO*    A  33          2HO*        A  33  -5.653   4.094  -5.665
  349    H1*    A  33           H1*        A  33  -5.074   5.546  -4.260
  350    H8     A  33           H8         A  33  -5.889   5.420  -0.636
  351   1H6     A  33          1H6         A  33   0.166   5.763   0.571
  352   2H6     A  33          2H6         A  33  -1.447   5.853   1.245
  353    H2     A  33           H2         A  33  -0.333   4.956  -3.810
  354   1H5*    U  34          1H5*        U  34  -6.124   0.672  -6.440
  355   2H5*    U  34          2H5*        U  34  -5.624  -1.027  -6.550
  356    H4*    U  34           H4*        U  34  -3.948   0.845  -7.339
  357    H3*    U  34           H3*        U  34  -3.547  -1.699  -5.807
  358    H2*    U  34           H2*        U  34  -1.450  -1.184  -5.040
  359   2HO*    U  34          2HO*        U  34  -0.213  -0.789  -6.724
  360    H1*    U  34           H1*        U  34  -1.507   1.621  -5.044
  361    H3     U  34           H3         U  34  -0.241  -0.400  -1.055
  362    H5     U  34           H5         U  34  -4.409   0.202  -0.878
  363    H6     U  34           H6         U  34  -4.362   0.765  -3.240
  364   1H5*    G  35          1H5*        G  35  -2.790  -5.612  -7.855
  365   2H5*    G  35          2H5*        G  35  -2.928  -4.524  -6.457
  366    H4*    G  35           H4*        G  35  -0.303  -5.485  -7.693
  367    H3*    G  35           H3*        G  35  -2.101  -6.416  -5.467
  368    H2*    G  35           H2*        G  35  -0.513  -6.353  -3.820
  369   2HO*    G  35          2HO*        G  35   1.366  -7.293  -4.121
  370    H1*    G  35           H1*        G  35   1.382  -4.593  -5.015
  371    H8     G  35           H8         G  35  -2.090  -3.194  -4.211
  372    H1     G  35           H1         G  35   1.981  -3.218   0.746
  373   1H2     G  35          1H2         G  35   3.802  -4.342   0.226
  374   2H2     G  35          2H2         G  35   4.031  -5.091  -1.338
  375   1H5*    G  36          1H5*        G  36   0.461 -10.643  -6.251
  376   2H5*    G  36          2H5*        G  36  -0.189  -9.401  -5.163
  377    H4*    G  36           H4*        G  36   2.609 -10.523  -4.760
  378    H3*    G  36           H3*        G  36  -0.022 -11.854  -4.359
  379    H2*    G  36           H2*        G  36   0.058 -12.040  -2.084
  380   2HO*    G  36          2HO*        G  36   2.324 -12.037  -1.092
  381    H1*    G  36           H1*        G  36   1.930 -10.064  -1.370
  382    H8     G  36           H8         G  36  -0.930  -8.481  -3.200
  383    H1     G  36           H1         G  36  -2.513 -10.294   2.744
  384   1H2     G  36          1H2         G  36  -0.935 -11.564   3.602
  385   2H2     G  36          2H2         G  36   0.520 -11.980   2.723
  386   1H5*    A  37          1H5*        A  37   1.496 -16.401  -3.845
  387   2H5*    A  37          2H5*        A  37   0.059 -16.320  -2.808
  388    H4*    A  37           H4*        A  37   2.540 -14.560  -2.549
  389    H3*    A  37           H3*        A  37   1.757 -17.197  -1.483
  390    H2*    A  37           H2*        A  37   1.244 -16.594   0.646
  391   2HO*    A  37          2HO*        A  37   2.871 -15.040   1.667
  392    H1*    A  37           H1*        A  37   1.733 -13.716   0.468
  393    H8     A  37           H8         A  37  -1.663 -14.834  -0.705
  394   1H6     A  37          1H6         A  37  -3.499 -14.406   5.187
  395   2H6     A  37          2H6         A  37  -4.015 -14.596   3.527
  396    H2     A  37           H2         A  37   0.974 -14.113   5.100
  397   1H5*    U  38          1H5*        U  38   3.719 -18.901   1.332
  398   2H5*    U  38          2H5*        U  38   3.301 -17.246   1.817
  399    H4*    U  38           H4*        U  38   5.579 -18.984   2.819
  400    H3*    U  38           H3*        U  38   3.024 -18.416   3.778
  401    H2*    U  38           H2*        U  38   3.208 -16.205   4.389
  402   2HO*    U  38          2HO*        U  38   4.942 -17.346   6.350
  403    H1*    U  38           H1*        U  38   6.112 -16.098   4.905
  404    H3     U  38           H3         U  38   4.842 -11.735   4.905
  405    H5     U  38           H5         U  38   4.395 -12.994   0.906
  406    H6     U  38           H6         U  38   4.822 -15.267   1.644
  407   1H5*    G  39          1H5*        G  39   2.051 -16.987   6.429
  408   2H5*    G  39          2H5*        G  39   2.354 -18.112   7.769
  409    H4*    G  39           H4*        G  39   0.099 -17.798   8.153
  410    H3*    G  39           H3*        G  39   0.556 -20.035   6.219
  411    H2*    G  39           H2*        G  39  -1.506 -20.018   5.206
  412   2HO*    G  39          2HO*        G  39  -3.361 -19.573   6.284
  413    H1*    G  39           H1*        G  39  -2.298 -17.385   5.444
  414    H8     G  39           H8         G  39   0.909 -16.706   4.002
  415    H1     G  39           H1         G  39  -2.468 -20.386  -0.019
  416   1H2     G  39          1H2         G  39  -4.191 -21.273   1.023
  417   2H2     G  39          2H2         G  39  -4.524 -20.977   2.714
  418   1H5*    U  40          1H5*        U  40  -1.964 -22.882   8.764
  419   2H5*    U  40          2H5*        U  40  -1.108 -24.342   8.232
  420    H4*    U  40           H4*        U  40  -3.568 -23.751   7.331
  421    H3*    U  40           H3*        U  40  -1.187 -25.138   6.114
  422    H2*    U  40           H2*        U  40  -2.031 -25.097   3.976
  423   2HO*    U  40          2HO*        U  40  -3.973 -26.069   4.223
  424    H1*    U  40           H1*        U  40  -3.592 -22.780   4.069
  425    H3     U  40           H3         U  40  -0.466 -22.673   0.688
  426    H5     U  40           H5         U  40   1.503 -21.281   4.144
  427    H6     U  40           H6         U  40  -0.427 -21.973   5.442
  428   1H5*    C  41          1H5*        C  41  -3.400 -29.519   6.488
  429   2H5*    C  41          2H5*        C  41  -1.768 -30.197   6.331
  430    H4*    C  41           H4*        C  41  -3.669 -30.501   4.414
  431    H3*    C  41           H3*        C  41  -0.646 -30.367   4.380
  432    H2*    C  41           H2*        C  41  -0.545 -30.224   2.070
  433   2HO*    C  41          2HO*        C  41  -1.976 -32.017   1.722
  434    H1*    C  41           H1*        C  41  -2.813 -28.718   1.581
  435   1H4     C  41          1H4         C  41   2.472 -25.141   1.129
  436   2H4     C  41          2H4         C  41   2.372 -24.777   2.837
  437    H5     C  41           H5         C  41   0.736 -25.780   4.306
  438    H6     C  41           H6         C  41  -1.140 -27.358   4.448
  439   1H5*    U  42          1H5*        U  42  -1.023 -33.848   1.897
  440   2H5*    U  42          2H5*        U  42   0.651 -34.404   1.725
  441    H4*    U  42           H4*        U  42  -0.659 -32.800  -0.102
  442    H3*    U  42           H3*        U  42   2.233 -33.401   0.538
  443    H2*    U  42           H2*        U  42   3.014 -31.605  -0.647
  444   2HO*    U  42          2HO*        U  42   0.631 -31.789  -2.212
  445    H1*    U  42           H1*        U  42   0.667 -29.977  -0.642
  446    H3     U  42           H3         U  42   4.548 -27.624   0.265
  447    H5     U  42           H5         U  42   3.146 -29.142   3.940
  448    H6     U  42           H6         U  42   1.567 -30.505   2.698
  449   1H5*    C  43          1H5*        C  43   4.222 -36.601  -0.342
  450   2H5*    C  43          2H5*        C  43   3.754 -34.938   0.077
  451    H4*    C  43           H4*        C  43   5.426 -35.393  -2.396
  452    H3*    C  43           H3*        C  43   6.195 -35.912   0.449
  453    H2*    C  43           H2*        C  43   7.786 -34.315   0.611
  454   2HO*    C  43          2HO*        C  43   9.400 -34.288  -0.770
  455    H1*    C  43           H1*        C  43   7.194 -32.788  -1.773
  456   1H4     C  43          1H4         C  43   7.298 -28.564   2.968
  457   2H4     C  43          2H4         C  43   6.030 -29.418   3.821
  458    H5     C  43           H5         C  43   5.071 -31.481   3.037
  459    H6     C  43           H6         C  43   5.116 -33.178   1.268
  460    H3T    C  43           H3T        C  43   6.449 -37.271  -1.569
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  12.650 -24.528  -2.391
    2   2H5*    G   1          2H5*        G   1  12.140 -25.153  -0.809
    3    H4*    G   1           H4*        G   1  13.372 -26.887  -3.000
    4    H3*    G   1           H3*        G   1  10.588 -25.899  -2.496
    5    H2*    G   1           H2*        G   1   9.662 -27.922  -2.046
    6   2HO*    G   1          2HO*        G   1  10.656 -29.797  -3.405
    7    H1*    G   1           H1*        G   1  12.107 -29.524  -1.988
    8    H8     G   1           H8         G   1  11.475 -27.651   1.190
    9    H1     G   1           H1         G   1   7.807 -32.881   0.625
   10   1H2     G   1          1H2         G   1   7.925 -33.674  -1.428
   11   2H2     G   1          2H2         G   1   8.901 -32.921  -2.671
   12    H5T    G   1           H5T        G   1  14.219 -24.792  -3.686
   13   1H5*    A   2          1H5*        A   2   9.975 -28.494  -7.193
   14   2H5*    A   2          2H5*        A   2   8.883 -27.119  -7.451
   15    H4*    A   2           H4*        A   2   7.798 -29.330  -7.949
   16    H3*    A   2           H3*        A   2   6.844 -27.336  -5.930
   17    H2*    A   2           H2*        A   2   5.326 -28.746  -4.953
   18   2HO*    A   2          2HO*        A   2   5.225 -30.094  -7.469
   19    H1*    A   2           H1*        A   2   6.410 -31.271  -5.685
   20    H8     A   2           H8         A   2   8.812 -29.320  -3.538
   21   1H6     A   2          1H6         A   2   5.442 -31.072   1.345
   22   2H6     A   2          2H6         A   2   6.928 -30.318   0.816
   23    H2     A   2           H2         A   2   3.184 -32.169  -2.370
   24   1H5*    G   3          1H5*        G   3   3.123 -28.616  -9.225
   25   2H5*    G   3          2H5*        G   3   1.840 -27.633  -8.493
   26    H4*    G   3           H4*        G   3   1.735 -30.375  -8.716
   27    H3*    G   3           H3*        G   3   0.389 -28.306  -6.986
   28    H2*    G   3           H2*        G   3  -0.345 -29.836  -5.412
   29   2HO*    G   3          2HO*        G   3  -1.336 -31.279  -6.823
   30    H1*    G   3           H1*        G   3   1.724 -31.660  -5.438
   31    H8     G   3           H8         G   3   3.209 -28.189  -5.324
   32    H1     G   3           H1         G   3   0.647 -29.997   0.272
   33   1H2     G   3          1H2         G   3  -0.519 -31.842   0.019
   34   2H2     G   3          2H2         G   3  -0.679 -32.651  -1.525
   35   1H5*    A   4          1H5*        A   4  -3.576 -30.076  -8.590
   36   2H5*    A   4          2H5*        A   4  -4.533 -28.582  -8.640
   37    H4*    A   4           H4*        A   4  -5.182 -30.458  -6.908
   38    H3*    A   4           H3*        A   4  -5.090 -27.495  -6.722
   39    H2*    A   4           H2*        A   4  -5.098 -27.371  -4.443
   40   2HO*    A   4          2HO*        A   4  -6.874 -29.458  -4.788
   41    H1*    A   4           H1*        A   4  -4.197 -29.979  -3.747
   42    H8     A   4           H8         A   4  -1.571 -28.064  -5.657
   43   1H6     A   4          1H6         A   4  -0.280 -25.108  -0.374
   44   2H6     A   4          2H6         A   4   0.229 -25.399  -2.021
   45    H2     A   4           H2         A   4  -4.047 -27.459   0.231
   46   1H5*    C   5          1H5*        C   5  -9.123 -25.180  -5.723
   47   2H5*    C   5          2H5*        C   5  -7.360 -25.364  -5.606
   48    H4*    C   5           H4*        C   5  -9.266 -26.232  -3.387
   49    H3*    C   5           H3*        C   5  -8.078 -23.559  -4.138
   50    H2*    C   5           H2*        C   5  -7.151 -23.164  -2.079
   51   2HO*    C   5          2HO*        C   5  -9.426 -24.523  -1.233
   52    H1*    C   5           H1*        C   5  -6.839 -25.816  -1.150
   53   1H4     C   5          1H4         C   5  -0.981 -23.473  -1.877
   54   2H4     C   5          2H4         C   5  -1.209 -23.305  -3.604
   55    H5     C   5           H5         C   5  -3.287 -23.816  -4.716
   56    H6     C   5           H6         C   5  -5.589 -24.601  -4.411
   57   1H5*    U   6          1H5*        U   6  -9.832 -19.914  -4.603
   58   2H5*    U   6          2H5*        U   6  -8.080 -20.192  -4.579
   59    H4*    U   6           H4*        U   6  -9.896 -20.745  -2.188
   60    H3*    U   6           H3*        U   6  -9.003 -18.225  -3.330
   61    H2*    U   6           H2*        U   6  -7.113 -17.880  -2.123
   62   2HO*    U   6          2HO*        U   6  -7.520 -18.018   0.320
   63    H1*    U   6           H1*        U   6  -7.362 -20.099  -0.200
   64    H3     U   6           H3         U   6  -2.976 -18.882  -0.025
   65    H5     U   6           H5         U   6  -3.497 -20.442  -3.907
   66    H6     U   6           H6         U   6  -5.880 -20.568  -3.464
   67   1H5*    A   7          1H5*        A   7  -9.926 -14.698  -2.027
   68   2H5*    A   7          2H5*        A   7  -9.251 -16.335  -1.893
   69    H4*    A   7           H4*        A   7 -10.351 -14.574   0.327
   70    H3*    A   7           H3*        A   7  -7.696 -15.780  -0.490
   71    H2*    A   7           H2*        A   7  -7.221 -16.628   1.574
   72   2HO*    A   7          2HO*        A   7  -7.787 -14.188   2.275
   73    H1*    A   7           H1*        A   7  -9.851 -16.575   2.734
   74    H8     A   7           H8         A   7 -10.170 -19.261   0.372
   75   1H6     A   7          1H6         A   7  -6.260 -22.711   3.701
   76   2H6     A   7          2H6         A   7  -7.459 -22.716   2.427
   77    H2     A   7           H2         A   7  -5.905 -18.464   5.094
   78   1H5*    U   8          1H5*        U   8  -4.701 -14.625   2.375
   79   2H5*    U   8          2H5*        U   8  -6.169 -15.222   3.176
   80    H4*    U   8           H4*        U   8  -4.261 -13.056   4.133
   81    H3*    U   8           H3*        U   8  -4.384 -15.812   4.615
   82    H2*    U   8           H2*        U   8  -6.385 -15.982   5.752
   83   2HO*    U   8          2HO*        U   8  -5.102 -16.367   7.490
   84    H1*    U   8           H1*        U   8  -6.408 -13.291   6.996
   85    H3     U   8           H3         U   8 -10.478 -15.277   7.850
   86    H5     U   8           H5         U   8 -10.599 -13.979   3.840
   87    H6     U   8           H6         U   8  -8.218 -13.535   3.983
   88   1H5*    C   9          1H5*        C   9  -3.708 -13.902   9.804
   89   2H5*    C   9          2H5*        C   9  -4.379 -13.553   8.197
   90    H4*    C   9           H4*        C   9  -1.393 -13.405   8.786
   91    H3*    C   9           H3*        C   9  -3.548 -11.646   9.683
   92    H2*    C   9           H2*        C   9  -3.518 -10.102   8.005
   93   2HO*    C   9          2HO*        C   9  -2.005  -8.926   9.065
   94    H1*    C   9           H1*        C   9  -1.084 -11.041   6.611
   95   1H4     C   9          1H4         C   9  -4.680  -9.227   1.703
   96   2H4     C   9          2H4         C   9  -6.139  -9.783   2.495
   97    H5     C   9           H5         C   9  -6.154 -10.786   4.679
   98    H6     C   9           H6         C   9  -4.782 -11.476   6.586
   99   1H5*    G  10          1H5*        G  10   0.850  -9.566   7.725
  100   2H5*    G  10          2H5*        G  10   2.195  -9.435   8.875
  101    H4*    G  10           H4*        G  10   1.882  -7.189   8.293
  102    H3*    G  10           H3*        G  10   0.853  -8.036  10.852
  103    H2*    G  10           H2*        G  10  -1.285  -7.255  10.713
  104   2HO*    G  10          2HO*        G  10  -1.284  -4.780  10.480
  105    H1*    G  10           H1*        G  10  -0.879  -5.413   8.418
  106    H8     G  10           H8         G  10  -2.461  -7.989   6.747
  107    H1     G  10           H1         G  10  -6.559  -5.869  11.204
  108   1H2     G  10          1H2         G  10  -5.481  -4.698  12.729
  109   2H2     G  10          2H2         G  10  -3.753  -4.430  12.661
  110   1H5*    A  11          1H5*        A  11   4.564  -3.700  10.895
  111   2H5*    A  11          2H5*        A  11   2.980  -4.194  10.269
  112    H4*    A  11           H4*        A  11   5.604  -4.937   8.907
  113    H3*    A  11           H3*        A  11   4.013  -2.405   8.925
  114    H2*    A  11           H2*        A  11   3.484  -2.412   6.709
  115   2HO*    A  11          2HO*        A  11   5.082  -3.486   5.203
  116    H1*    A  11           H1*        A  11   4.072  -5.128   6.017
  117    H8     A  11           H8         A  11   1.183  -3.870   8.315
  118   1H6     A  11          1H6         A  11  -2.326  -4.400   3.246
  119   2H6     A  11          2H6         A  11  -2.316  -4.033   4.956
  120    H2     A  11           H2         A  11   1.908  -5.326   2.112
  121   1H5*    C  12          1H5*        C  12   8.750  -1.869   7.558
  122   2H5*    C  12          2H5*        C  12   9.026  -0.190   7.050
  123    H4*    C  12           H4*        C  12   9.765  -2.115   5.434
  124    H3*    C  12           H3*        C  12   8.444   0.512   4.951
  125    H2*    C  12           H2*        C  12   7.602   0.039   2.875
  126   2HO*    C  12          2HO*        C  12   9.992  -1.370   2.680
  127    H1*    C  12           H1*        C  12   7.438  -2.757   2.911
  128   1H4     C  12          1H4         C  12   1.476  -0.581   2.821
  129   2H4     C  12          2H4         C  12   1.663   0.128   4.410
  130    H5     C  12           H5         C  12   3.733   0.084   5.640
  131    H6     C  12           H6         C  12   6.071  -0.648   5.612
  132   1H5*    A  13          1H5*        A  13  11.552   3.369   1.686
  133   2H5*    A  13          2H5*        A  13   9.980   3.121   2.474
  134    H4*    A  13           H4*        A  13  10.946   1.446   0.115
  135    H3*    A  13           H3*        A  13  10.118   4.225   0.156
  136    H2*    A  13           H2*        A  13   7.856   3.948   0.026
  137   2HO*    A  13          2HO*        A  13   8.545   4.034  -2.271
  138    H1*    A  13           H1*        A  13   7.862   1.097  -0.830
  139    H8     A  13           H8         A  13   7.220   2.543   2.706
  140   1H6     A  13          1H6         A  13   1.232   1.643   1.465
  141   2H6     A  13          2H6         A  13   2.399   2.114   2.680
  142    H2     A  13           H2         A  13   3.574   0.716  -2.246
  143   1H5*    U  14          1H5*        U  14   9.890   5.915  -4.918
  144   2H5*    U  14          2H5*        U  14   9.104   5.909  -3.326
  145    H4*    U  14           H4*        U  14   8.328   3.904  -5.479
  146    H3*    U  14           H3*        U  14   7.873   6.817  -5.400
  147    H2*    U  14           H2*        U  14   5.703   6.818  -4.744
  148   2HO*    U  14          2HO*        U  14   4.734   6.386  -6.590
  149    H1*    U  14           H1*        U  14   5.278   3.927  -4.482
  150    H3     U  14           H3         U  14   2.285   6.450  -1.976
  151    H5     U  14           H5         U  14   5.812   6.094   0.303
  152    H6     U  14           H6         U  14   6.906   5.166  -1.656
  153   1H5*    U  15          1H5*        U  15   6.258   9.427  -7.925
  154   2H5*    U  15          2H5*        U  15   6.868   8.853  -6.360
  155    H4*    U  15           H4*        U  15   3.897   9.009  -7.024
  156    H3*    U  15           H3*        U  15   5.816  11.149  -6.487
  157    H2*    U  15           H2*        U  15   5.535  11.343  -4.240
  158   2HO*    U  15          2HO*        U  15   3.645  12.235  -3.582
  159    H1*    U  15           H1*        U  15   3.206   9.544  -3.935
  160    H3     U  15           H3         U  15   4.609   9.711   0.346
  161    H5     U  15           H5         U  15   7.968   8.257  -1.744
  162    H6     U  15           H6         U  15   6.751   8.612  -3.814
  163   1H5*    U  16          1H5*        U  16   2.668  10.143 -10.700
  164   2H5*    U  16          2H5*        U  16   1.961  11.762 -10.869
  165    H4*    U  16           H4*        U  16   0.375   9.821 -11.375
  166    H3*    U  16           H3*        U  16  -0.018  12.229  -9.751
  167    H2*    U  16           H2*        U  16  -1.472  11.452  -8.187
  168   2HO*    U  16          2HO*        U  16  -2.717   9.469  -9.655
  169    H1*    U  16           H1*        U  16  -1.380   8.642  -8.527
  170    H3     U  16           H3         U  16  -0.929   8.738  -4.090
  171    H5     U  16           H5         U  16   2.171  11.283  -5.383
  172    H6     U  16           H6         U  16   1.398  10.958  -7.662
  173   1H5*    G  17          1H5*        G  17  -1.942  15.625 -10.486
  174   2H5*    G  17          2H5*        G  17  -1.108  15.097  -9.009
  175    H4*    G  17           H4*        G  17  -3.454  13.625 -10.298
  176    H3*    G  17           H3*        G  17  -3.207  15.880  -8.340
  177    H2*    G  17           H2*        G  17  -4.257  14.843  -6.596
  178   2HO*    G  17          2HO*        G  17  -6.245  14.571  -7.440
  179    H1*    G  17           H1*        G  17  -4.031  12.113  -7.345
  180    H8     G  17           H8         G  17  -0.568  13.027  -6.821
  181    H1     G  17           H1         G  17  -3.841  13.467  -1.322
  182   1H2     G  17          1H2         G  17  -6.008  13.461  -1.728
  183   2H2     G  17          2H2         G  17  -6.660  13.348  -3.347
  184   1H5*    A  18          1H5*        A  18  -7.522  16.474 -10.182
  185   2H5*    A  18          2H5*        A  18  -7.838  18.219 -10.124
  186    H4*    A  18           H4*        A  18  -9.305  16.835  -8.574
  187    H3*    A  18           H3*        A  18  -7.528  19.138  -7.813
  188    H2*    A  18           H2*        A  18  -7.725  18.824  -5.546
  189   2HO*    A  18          2HO*        A  18  -9.866  17.128  -5.401
  190    H1*    A  18           H1*        A  18  -8.250  16.064  -5.444
  191    H8     A  18           H8         A  18  -5.132  17.540  -7.241
  192   1H6     A  18          1H6         A  18  -2.248  16.718  -1.829
  193   2H6     A  18          2H6         A  18  -2.065  17.203  -3.500
  194    H2     A  18           H2         A  18  -6.566  15.647  -1.282
  195   1H5*    U  19          1H5*        U  19 -11.630  20.537  -5.533
  196   2H5*    U  19          2H5*        U  19 -11.235  22.248  -5.788
  197    H4*    U  19           H4*        U  19 -11.535  21.414  -3.330
  198    H3*    U  19           H3*        U  19  -9.320  23.100  -4.520
  199    H2*    U  19           H2*        U  19  -8.113  23.120  -2.549
  200   2HO*    U  19          2HO*        U  19 -10.651  22.984  -1.443
  201    H1*    U  19           H1*        U  19  -8.898  20.626  -1.515
  202    H3     U  19           H3         U  19  -4.428  20.195  -1.662
  203    H5     U  19           H5         U  19  -5.464  20.810  -5.702
  204    H6     U  19           H6         U  19  -7.764  21.120  -4.997
  205   1H5*    A  20          1H5*        A  20  -8.703  27.399  -3.989
  206   2H5*    A  20          2H5*        A  20  -7.306  26.308  -3.904
  207    H4*    A  20           H4*        A  20  -9.503  26.485  -1.786
  208    H3*    A  20           H3*        A  20  -7.587  28.364  -2.337
  209    H2*    A  20           H2*        A  20  -5.623  27.252  -1.910
  210   2HO*    A  20          2HO*        A  20  -6.765  27.809   0.597
  211    H1*    A  20           H1*        A  20  -6.552  25.239   0.015
  212    H8     A  20           H8         A  20  -6.377  24.279  -3.657
  213   1H6     A  20          1H6         A  20  -0.526  22.580  -2.534
  214   2H6     A  20          2H6         A  20  -1.835  22.540  -3.694
  215    H2     A  20           H2         A  20  -2.050  24.786   1.051
  216   1H5*    C  21          1H5*        C  21  -6.185  31.113   1.800
  217   2H5*    C  21          2H5*        C  21  -5.520  29.887   0.698
  218    H4*    C  21           H4*        C  21  -6.036  29.312   3.644
  219    H3*    C  21           H3*        C  21  -3.888  30.890   2.306
  220    H2*    C  21           H2*        C  21  -2.131  29.543   2.879
  221   2HO*    C  21          2HO*        C  21  -3.599  29.368   5.227
  222    H1*    C  21           H1*        C  21  -3.433  27.097   3.441
  223   1H4     C  21          1H4         C  21   0.602  26.594  -1.519
  224   2H4     C  21          2H4         C  21  -0.783  26.712  -2.578
  225    H5     C  21           H5         C  21  -3.008  27.224  -1.791
  226    H6     C  21           H6         C  21  -4.373  27.732   0.180
  227   1H5*    A  22          1H5*        A  22  -1.515  34.347   4.339
  228   2H5*    A  22          2H5*        A  22  -2.225  33.488   2.957
  229    H4*    A  22           H4*        A  22  -0.209  32.143   4.796
  230    H3*    A  22           H3*        A  22   0.176  34.234   2.685
  231    H2*    A  22           H2*        A  22   1.517  32.981   1.327
  232   2HO*    A  22          2HO*        A  22   2.406  31.905   3.783
  233    H1*    A  22           H1*        A  22   0.871  30.353   2.206
  234    H8     A  22           H8         A  22  -2.255  31.371   0.739
  235   1H6     A  22          1H6         A  22   0.350  31.482  -4.876
  236   2H6     A  22          2H6         A  22  -1.157  31.494  -3.988
  237    H2     A  22           H2         A  22   3.626  31.295  -1.825
  238   1H5*    C  23          1H5*        C  23   3.788  33.064   1.872
  239   2H5*    C  23          2H5*        C  23   4.777  34.122   2.897
  240    H4*    C  23           H4*        C  23   5.812  34.642   0.915
  241    H3*    C  23           H3*        C  23   3.365  36.349   1.211
  242    H2*    C  23           H2*        C  23   3.143  36.856  -1.007
  243   2HO*    C  23          2HO*        C  23   4.808  37.648  -2.029
  244    H1*    C  23           H1*        C  23   4.615  34.760  -2.220
  245   1H4     C  23          1H4         C  23  -1.308  33.873  -4.269
  246   2H4     C  23          2H4         C  23  -1.968  34.122  -2.667
  247    H5     C  23           H5         C  23  -0.610  34.604  -0.741
  248    H6     C  23           H6         C  23   1.676  34.950   0.072
  249   1H5*    U  24          1H5*        U  24   8.215  38.146  -0.754
  250   2H5*    U  24          2H5*        U  24   7.209  37.002   0.158
  251    H4*    U  24           H4*        U  24   9.667  38.457   1.004
  252    H3*    U  24           H3*        U  24   8.675  35.776   0.977
  253    H2*    U  24           H2*        U  24   7.566  35.764   3.000
  254   2HO*    U  24          2HO*        U  24   8.942  34.786   4.254
  255    H1*    U  24           H1*        U  24   9.175  37.976   4.214
  256    H3     U  24           H3         U  24   6.199  38.515   7.494
  257    H5     U  24           H5         U  24   3.778  37.280   4.271
  258    H6     U  24           H6         U  24   5.780  37.141   2.904
  259   1H5*    A  25          1H5*        A  25  11.727  34.153  -1.068
  260   2H5*    A  25          2H5*        A  25  10.549  35.477  -1.153
  261    H4*    A  25           H4*        A  25  10.396  33.195  -2.678
  262    H3*    A  25           H3*        A  25   8.889  35.490  -2.322
  263    H2*    A  25           H2*        A  25   7.468  34.791  -0.621
  264   2HO*    A  25          2HO*        A  25   6.348  34.599  -2.953
  265    H1*    A  25           H1*        A  25   7.283  31.956  -1.545
  266    H8     A  25           H8         A  25   8.892  33.671   1.581
  267   1H6     A  25          1H6         A  25   4.442  30.778   4.755
  268   2H6     A  25          2H6         A  25   5.865  31.790   4.863
  269    H2     A  25           H2         A  25   3.785  29.973   0.395
  270   1H5*    U  26          1H5*        U  26   9.288  30.618  -1.856
  271   2H5*    U  26          2H5*        U  26   9.700  30.304  -3.557
  272    H4*    U  26           H4*        U  26   8.083  28.687  -1.890
  273    H3*    U  26           H3*        U  26   9.433  28.346  -4.231
  274    H2*    U  26           H2*        U  26   8.033  29.427  -5.735
  275   2HO*    U  26          2HO*        U  26   6.235  27.297  -5.571
  276    H1*    U  26           H1*        U  26   5.435  28.720  -4.506
  277    H3     U  26           H3         U  26   5.519  31.871  -8.112
  278    H5     U  26           H5         U  26   5.322  33.858  -4.398
  279    H6     U  26           H6         U  26   5.848  31.753  -3.317
  280   1H5*    U  27          1H5*        U  27   9.642  24.937  -0.220
  281   2H5*    U  27          2H5*        U  27   8.147  24.987  -1.174
  282    H4*    U  27           H4*        U  27   9.314  27.273   0.478
  283    H3*    U  27           H3*        U  27   7.240  25.149   0.886
  284    H2*    U  27           H2*        U  27   5.529  26.591   1.400
  285   2HO*    U  27          2HO*        U  27   6.032  27.799   3.047
  286    H1*    U  27           H1*        U  27   6.410  28.967   0.154
  287    H3     U  27           H3         U  27   2.044  27.233  -0.535
  288    H5     U  27           H5         U  27   4.437  26.451  -3.917
  289    H6     U  27           H6         U  27   6.378  27.093  -2.609
  290   1H5*    U  28          1H5*        U  28   6.541  22.371   3.377
  291   2H5*    U  28          2H5*        U  28   6.367  23.607   2.111
  292    H4*    U  28           H4*        U  28   5.320  24.381   4.798
  293    H3*    U  28           H3*        U  28   4.345  21.957   3.259
  294    H2*    U  28           H2*        U  28   2.129  22.631   3.376
  295   2HO*    U  28          2HO*        U  28   2.931  24.379   5.489
  296    H1*    U  28           H1*        U  28   2.472  25.389   3.258
  297    H3     U  28           H3         U  28  -0.092  23.855  -0.227
  298    H5     U  28           H5         U  28   3.901  23.172  -1.392
  299    H6     U  28           H6         U  28   4.593  23.804   0.846
  300   1H5*    A  29          1H5*        A  29   2.051  22.256   6.457
  301   2H5*    A  29          2H5*        A  29   1.742  20.802   7.425
  302    H4*    A  29           H4*        A  29  -0.404  21.777   6.766
  303    H3*    A  29           H3*        A  29   0.490  19.169   5.495
  304    H2*    A  29           H2*        A  29  -1.265  19.164   4.017
  305   2HO*    A  29          2HO*        A  29  -3.310  20.028   4.587
  306    H1*    A  29           H1*        A  29  -1.953  21.968   4.186
  307    H8     A  29           H8         A  29   1.322  20.869   2.488
  308   1H6     A  29          1H6         A  29  -2.022  20.433  -2.696
  309   2H6     A  29          2H6         A  29  -0.417  20.363  -2.007
  310    H2     A  29           H2         A  29  -4.827  21.270   0.702
  311   1H5*    U  30          1H5*        U  30  -3.706  19.505   7.352
  312   2H5*    U  30          2H5*        U  30  -4.273  17.900   7.854
  313    H4*    U  30           H4*        U  30  -5.918  19.317   6.454
  314    H3*    U  30           H3*        U  30  -5.049  16.472   6.059
  315    H2*    U  30           H2*        U  30  -5.946  16.259   3.964
  316   2HO*    U  30          2HO*        U  30  -8.048  16.592   4.245
  317    H1*    U  30           H1*        U  30  -6.108  19.004   3.206
  318    H3     U  30           H3         U  30  -4.345  16.865  -0.366
  319    H5     U  30           H5         U  30  -1.320  16.616   2.559
  320    H6     U  30           H6         U  30  -2.870  17.602   4.149
  321   1H5*    C  31          1H5*        C  31  -7.793  12.843   6.905
  322   2H5*    C  31          2H5*        C  31  -6.443  13.688   6.122
  323    H4*    C  31           H4*        C  31  -9.193  13.394   4.835
  324    H3*    C  31           H3*        C  31  -6.826  11.553   5.025
  325    H2*    C  31           H2*        C  31  -6.562  11.301   2.763
  326   2HO*    C  31          2HO*        C  31  -8.466  11.673   1.342
  327    H1*    C  31           H1*        C  31  -7.829  13.665   1.830
  328   1H4     C  31          1H4         C  31  -1.723  13.950   0.096
  329   2H4     C  31          2H4         C  31  -1.211  14.068   1.764
  330    H5     C  31           H5         C  31  -2.737  13.957   3.625
  331    H6     C  31           H6         C  31  -5.084  13.702   4.287
  332   1H5*    A  32          1H5*        A  32  -8.336   7.650   1.885
  333   2H5*    A  32          2H5*        A  32  -7.127   8.874   2.323
  334    H4*    A  32           H4*        A  32  -9.307   9.691   0.417
  335    H3*    A  32           H3*        A  32  -7.211   7.577  -0.081
  336    H2*    A  32           H2*        A  32  -6.376   8.598  -1.967
  337   2HO*    A  32          2HO*        A  32  -8.988   9.684  -2.191
  338    H1*    A  32           H1*        A  32  -7.027  11.282  -1.417
  339    H8     A  32           H8         A  32  -4.889  11.001   1.325
  340   1H6     A  32          1H6         A  32  -0.046   9.595  -2.262
  341   2H6     A  32          2H6         A  32  -0.555  10.129  -0.676
  342    H2     A  32           H2         A  32  -3.777   9.027  -4.677
  343   1H5*    A  33          1H5*        A  33  -7.032   3.980  -1.358
  344   2H5*    A  33          2H5*        A  33  -6.640   5.665  -0.958
  345    H4*    A  33           H4*        A  33  -7.131   5.126  -3.851
  346    H3*    A  33           H3*        A  33  -5.128   3.563  -2.263
  347    H2*    A  33           H2*        A  33  -3.275   4.285  -3.418
  348   2HO*    A  33          2HO*        A  33  -4.667   3.740  -5.456
  349    H1*    A  33           H1*        A  33  -4.059   6.804  -4.283
  350    H8     A  33           H8         A  33  -4.745   6.771  -0.629
  351   1H6     A  33          1H6         A  33   1.343   7.230   0.350
  352   2H6     A  33          2H6         A  33  -0.245   7.317   1.079
  353    H2     A  33           H2         A  33   0.702   6.293  -3.988
  354   1H5*    U  34          1H5*        U  34  -5.079   1.874  -6.166
  355   2H5*    U  34          2H5*        U  34  -4.645   0.158  -6.290
  356    H4*    U  34           H4*        U  34  -2.910   1.957  -7.102
  357    H3*    U  34           H3*        U  34  -2.554  -0.557  -5.495
  358    H2*    U  34           H2*        U  34  -0.424  -0.072  -4.818
  359   2HO*    U  34          2HO*        U  34  -0.301   1.061  -7.366
  360    H1*    U  34           H1*        U  34  -0.413   2.754  -5.082
  361    H3     U  34           H3         U  34   1.311   1.062  -1.104
  362    H5     U  34           H5         U  34  -2.805   1.743  -0.498
  363    H6     U  34           H6         U  34  -3.032   2.095  -2.890
  364   1H5*    G  35          1H5*        G  35  -3.004  -4.261  -6.659
  365   2H5*    G  35          2H5*        G  35  -2.932  -3.559  -5.028
  366    H4*    G  35           H4*        G  35  -0.748  -3.469  -7.159
  367    H3*    G  35           H3*        G  35  -1.328  -5.083  -4.704
  368    H2*    G  35           H2*        G  35   0.610  -4.594  -3.596
  369   2HO*    G  35          2HO*        G  35   1.613  -4.873  -6.140
  370    H1*    G  35           H1*        G  35   1.407  -2.197  -4.859
  371    H8     G  35           H8         G  35  -1.937  -1.732  -3.224
  372    H1     G  35           H1         G  35   2.896  -1.948   0.987
  373   1H2     G  35          1H2         G  35   4.735  -2.651  -0.002
  374   2H2     G  35          2H2         G  35   4.787  -3.067  -1.700
  375   1H5*    G  36          1H5*        G  36   1.883  -6.989  -6.388
  376   2H5*    G  36          2H5*        G  36   2.022  -8.755  -6.292
  377    H4*    G  36           H4*        G  36   3.604  -7.360  -4.771
  378    H3*    G  36           H3*        G  36   1.968  -9.782  -4.205
  379    H2*    G  36           H2*        G  36   1.874  -9.581  -1.931
  380   2HO*    G  36          2HO*        G  36   4.207  -9.687  -1.840
  381    H1*    G  36           H1*        G  36   2.403  -6.847  -1.534
  382    H8     G  36           H8         G  36  -0.638  -6.976  -3.622
  383    H1     G  36           H1         G  36  -1.759  -9.193   2.289
  384   1H2     G  36          1H2         G  36   0.137  -9.538   3.351
  385   2H2     G  36          2H2         G  36   1.695  -9.229   2.618
  386   1H5*    A  37          1H5*        A  37   4.279 -13.813  -2.539
  387   2H5*    A  37          2H5*        A  37   2.830 -12.913  -3.031
  388    H4*    A  37           H4*        A  37   4.338 -12.303  -0.456
  389    H3*    A  37           H3*        A  37   2.492 -14.531  -1.162
  390    H2*    A  37           H2*        A  37   0.778 -13.964   0.239
  391   2HO*    A  37          2HO*        A  37   2.849 -13.707   1.914
  392    H1*    A  37           H1*        A  37   1.337 -11.244   0.788
  393    H8     A  37           H8         A  37   0.634 -11.293  -2.805
  394   1H6     A  37          1H6         A  37  -5.369 -12.015  -1.500
  395   2H6     A  37          2H6         A  37  -4.202 -11.613  -2.739
  396    H2     A  37           H2         A  37  -3.025 -12.853   2.228
  397   1H5*    U  38          1H5*        U  38   4.124 -15.035   3.333
  398   2H5*    U  38          2H5*        U  38   4.168 -16.793   3.575
  399    H4*    U  38           H4*        U  38   2.956 -15.339   5.378
  400    H3*    U  38           H3*        U  38   2.284 -17.948   4.135
  401    H2*    U  38           H2*        U  38   0.023 -17.923   4.486
  402   2HO*    U  38          2HO*        U  38  -0.667 -16.392   6.383
  403    H1*    U  38           H1*        U  38  -0.534 -15.200   4.829
  404    H3     U  38           H3         U  38  -3.380 -16.798   1.673
  405    H5     U  38           H5         U  38   0.306 -16.348  -0.325
  406    H6     U  38           H6         U  38   1.336 -15.884   1.824
  407   1H5*    G  39          1H5*        G  39   2.226 -21.766   7.666
  408   2H5*    G  39          2H5*        G  39   1.972 -21.183   6.010
  409    H4*    G  39           H4*        G  39   0.031 -20.598   8.293
  410    H3*    G  39           H3*        G  39   0.467 -23.044   6.622
  411    H2*    G  39           H2*        G  39  -1.593 -23.087   5.606
  412   2HO*    G  39          2HO*        G  39  -3.414 -21.916   6.632
  413    H1*    G  39           H1*        G  39  -2.307 -20.414   5.568
  414    H8     G  39           H8         G  39   0.857 -19.972   3.987
  415    H1     G  39           H1         G  39  -2.647 -24.058   0.501
  416   1H2     G  39          1H2         G  39  -4.354 -24.796   1.677
  417   2H2     G  39          2H2         G  39  -4.645 -24.298   3.328
  418   1H5*    U  40          1H5*        U  40  -1.958 -25.764   9.519
  419   2H5*    U  40          2H5*        U  40  -1.098 -27.195   8.921
  420    H4*    U  40           H4*        U  40  -3.665 -26.561   8.209
  421    H3*    U  40           H3*        U  40  -1.438 -28.158   6.928
  422    H2*    U  40           H2*        U  40  -2.501 -28.278   4.895
  423   2HO*    U  40          2HO*        U  40  -5.025 -27.518   5.359
  424    H1*    U  40           H1*        U  40  -4.056 -25.920   5.028
  425    H3     U  40           H3         U  40  -1.651 -26.186   1.112
  426    H5     U  40           H5         U  40   0.984 -24.592   3.992
  427    H6     U  40           H6         U  40  -0.669 -25.113   5.693
  428   1H5*    C  41          1H5*        C  41  -3.478 -32.446   8.144
  429   2H5*    C  41          2H5*        C  41  -1.875 -33.123   7.794
  430    H4*    C  41           H4*        C  41  -4.068 -33.565   6.220
  431    H3*    C  41           H3*        C  41  -1.080 -33.541   5.741
  432    H2*    C  41           H2*        C  41  -1.324 -33.640   3.441
  433   2HO*    C  41          2HO*        C  41  -4.088 -34.187   3.523
  434    H1*    C  41           H1*        C  41  -3.625 -32.123   3.140
  435   1H4     C  41          1H4         C  41   1.600 -28.826   1.456
  436   2H4     C  41          2H4         C  41   1.742 -28.228   3.094
  437    H5     C  41           H5         C  41   0.315 -28.970   4.897
  438    H6     C  41           H6         C  41  -1.539 -30.457   5.512
  439   1H5*    U  42          1H5*        U  42  -1.956 -37.200   3.722
  440   2H5*    U  42          2H5*        U  42  -0.363 -37.888   3.358
  441    H4*    U  42           H4*        U  42  -1.856 -36.377   1.591
  442    H3*    U  42           H3*        U  42   1.056 -37.153   1.839
  443    H2*    U  42           H2*        U  42   1.773 -35.517   0.416
  444   2HO*    U  42          2HO*        U  42   0.267 -36.498  -1.212
  445    H1*    U  42           H1*        U  42  -0.486 -33.752   0.536
  446    H3     U  42           H3         U  42   3.599 -31.563   0.558
  447    H5     U  42           H5         U  42   2.668 -32.489   4.565
  448    H6     U  42           H6         U  42   0.868 -33.900   3.747
  449   1H5*    C  43          1H5*        C  43   2.911 -40.551   0.827
  450   2H5*    C  43          2H5*        C  43   2.735 -38.899   1.453
  451    H4*    C  43           H4*        C  43   3.943 -39.458  -1.284
  452    H3*    C  43           H3*        C  43   5.020 -39.810   1.473
  453    H2*    C  43           H2*        C  43   6.585 -38.186   1.422
  454   2HO*    C  43          2HO*        C  43   8.019 -39.098   0.085
  455    H1*    C  43           H1*        C  43   5.837 -36.885  -1.071
  456   1H4     C  43          1H4         C  43   6.465 -32.161   3.125
  457   2H4     C  43          2H4         C  43   5.317 -32.907   4.212
  458    H5     C  43           H5         C  43   4.281 -35.036   3.782
  459    H6     C  43           H6         C  43   4.120 -36.916   2.217
  460    H3T    C  43           H3T        C  43   5.732 -41.455   0.379
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  12.434 -21.132   0.451
    2   2H5*    G   1          2H5*        G   1  14.190 -21.164   0.182
    3    H4*    G   1           H4*        G   1  13.909 -22.582  -1.795
    4    H3*    G   1           H3*        G   1  11.089 -21.632  -1.493
    5    H2*    G   1           H2*        G   1  10.122 -23.675  -1.306
    6   2HO*    G   1          2HO*        G   1  11.921 -24.408  -3.393
    7    H1*    G   1           H1*        G   1  12.556 -25.309  -1.267
    8    H8     G   1           H8         G   1  11.466 -23.758   2.008
    9    H1     G   1           H1         G   1   8.364 -29.190   0.583
   10   1H2     G   1          1H2         G   1   8.796 -29.787  -1.494
   11   2H2     G   1          2H2         G   1   9.844 -28.857  -2.541
   12    H5T    G   1           H5T        G   1  12.511 -18.924  -3.518
   13   1H5*    A   2          1H5*        A   2  11.093 -23.918  -6.399
   14   2H5*    A   2          2H5*        A   2   9.961 -22.584  -6.698
   15    H4*    A   2           H4*        A   2   9.067 -24.811  -7.443
   16    H3*    A   2           H3*        A   2   7.771 -23.021  -5.409
   17    H2*    A   2           H2*        A   2   6.246 -24.582  -4.720
   18   2HO*    A   2          2HO*        A   2   5.307 -24.774  -6.787
   19    H1*    A   2           H1*        A   2   7.556 -26.972  -5.583
   20    H8     A   2           H8         A   2   9.482 -25.125  -2.910
   21   1H6     A   2          1H6         A   2   5.680 -27.733   1.215
   22   2H6     A   2          2H6         A   2   7.144 -26.803   0.992
   23    H2     A   2           H2         A   2   4.049 -28.537  -2.883
   24   1H5*    G   3          1H5*        G   3   4.647 -24.134  -9.327
   25   2H5*    G   3          2H5*        G   3   3.175 -23.351  -8.719
   26    H4*    G   3           H4*        G   3   3.352 -26.036  -9.275
   27    H3*    G   3           H3*        G   3   1.589 -24.322  -7.522
   28    H2*    G   3           H2*        G   3   0.765 -26.111  -6.303
   29   2HO*    G   3          2HO*        G   3   1.816 -28.114  -7.957
   30    H1*    G   3           H1*        G   3   2.977 -27.749  -6.220
   31    H8     G   3           H8         G   3   4.145 -24.254  -5.443
   32    H1     G   3           H1         G   3   0.842 -26.893  -0.618
   33   1H2     G   3          1H2         G   3  -0.131 -28.747  -1.283
   34   2H2     G   3          2H2         G   3   0.018 -29.357  -2.915
   35   1H5*    A   4          1H5*        A   4  -2.393 -25.256 -10.182
   36   2H5*    A   4          2H5*        A   4  -2.933 -23.639  -9.683
   37    H4*    A   4           H4*        A   4  -4.169 -25.877  -8.827
   38    H3*    A   4           H3*        A   4  -3.714 -23.150  -7.633
   39    H2*    A   4           H2*        A   4  -4.298 -23.774  -5.495
   40   2HO*    A   4          2HO*        A   4  -5.604 -26.086  -6.536
   41    H1*    A   4           H1*        A   4  -3.553 -26.465  -5.501
   42    H8     A   4           H8         A   4  -0.622 -24.394  -6.644
   43   1H6     A   4          1H6         A   4   0.261 -22.857  -0.712
   44   2H6     A   4          2H6         A   4   0.932 -22.810  -2.326
   45    H2     A   4           H2         A   4  -3.692 -24.941  -1.036
   46   1H5*    C   5          1H5*        C   5  -8.615 -24.294  -6.884
   47   2H5*    C   5          2H5*        C   5  -9.060 -22.576  -6.938
   48    H4*    C   5           H4*        C   5  -9.835 -24.009  -4.876
   49    H3*    C   5           H3*        C   5  -8.738 -21.218  -5.072
   50    H2*    C   5           H2*        C   5  -8.242 -20.983  -2.841
   51   2HO*    C   5          2HO*        C   5 -10.364 -21.516  -2.140
   52    H1*    C   5           H1*        C   5  -7.693 -23.598  -2.093
   53   1H4     C   5          1H4         C   5  -2.073 -20.657  -2.418
   54   2H4     C   5          2H4         C   5  -2.224 -20.448  -4.148
   55    H5     C   5           H5         C   5  -4.175 -21.130  -5.393
   56    H6     C   5           H6         C   5  -6.396 -22.156  -5.244
   57   1H5*    U   6          1H5*        U   6 -12.305 -18.108  -2.599
   58   2H5*    U   6          2H5*        U   6 -10.691 -18.354  -3.295
   59    H4*    U   6           H4*        U   6 -11.738 -20.111  -1.040
   60    H3*    U   6           H3*        U   6 -10.741 -17.274  -0.988
   61    H2*    U   6           H2*        U   6  -8.935 -17.666   0.336
   62   2HO*    U   6          2HO*        U   6 -10.217 -19.885   1.569
   63    H1*    U   6           H1*        U   6  -8.749 -20.527   0.135
   64    H3     U   6           H3         U   6  -4.461 -19.092  -0.010
   65    H5     U   6           H5         U   6  -6.172 -17.538  -3.536
   66    H6     U   6           H6         U   6  -8.323 -18.362  -2.773
   67   1H5*    A   7          1H5*        A   7 -11.499 -18.967   3.114
   68   2H5*    A   7          2H5*        A   7 -12.563 -17.805   3.932
   69    H4*    A   7           H4*        A   7 -10.979 -18.358   5.604
   70    H3*    A   7           H3*        A   7 -10.548 -15.798   4.118
   71    H2*    A   7           H2*        A   7  -8.333 -15.569   4.555
   72   2HO*    A   7          2HO*        A   7  -7.600 -15.598   6.608
   73    H1*    A   7           H1*        A   7  -7.843 -18.176   5.770
   74    H8     A   7           H8         A   7  -7.894 -18.578   2.110
   75   1H6     A   7          1H6         A   7  -2.237 -16.083   1.896
   76   2H6     A   7          2H6         A   7  -3.454 -16.970   1.006
   77    H2     A   7           H2         A   7  -3.934 -15.338   5.978
   78   1H5*    U   8          1H5*        U   8  -8.315 -16.893   8.474
   79   2H5*    U   8          2H5*        U   8  -8.950 -16.453  10.073
   80    H4*    U   8           H4*        U   8  -6.796 -15.238   9.314
   81    H3*    U   8           H3*        U   8  -9.304 -14.234  10.510
   82    H2*    U   8           H2*        U   8  -9.253 -12.110   9.703
   83   2HO*    U   8          2HO*        U   8  -7.286 -10.900   9.796
   84    H1*    U   8           H1*        U   8  -6.987 -12.327   7.891
   85    H3     U   8           H3         U   8 -10.494  -9.312   6.837
   86    H5     U   8           H5         U   8 -10.998 -12.905   4.688
   87    H6     U   8           H6         U   8  -9.323 -13.919   6.122
   88   1H5*    C   9          1H5*        C   9  -4.969 -10.476  11.783
   89   2H5*    C   9          2H5*        C   9  -5.468 -11.195  10.237
   90    H4*    C   9           H4*        C   9  -2.880 -11.906  11.693
   91    H3*    C   9           H3*        C   9  -3.698  -9.725   9.831
   92    H2*    C   9           H2*        C   9  -2.208 -10.211   8.149
   93   2HO*    C   9          2HO*        C   9  -0.200 -11.487   8.843
   94    H1*    C   9           H1*        C   9  -1.632 -12.927   8.718
   95   1H4     C   9          1H4         C   9  -4.561 -12.229   3.024
   96   2H4     C   9          2H4         C   9  -5.932 -13.017   3.770
   97    H5     C   9           H5         C   9  -6.063 -13.489   6.123
   98    H6     C   9           H6         C   9  -4.912 -13.314   8.277
   99   1H5*    G  10          1H5*        G  10  -0.552  -8.905   9.799
  100   2H5*    G  10          2H5*        G  10   1.212  -9.045   9.652
  101    H4*    G  10           H4*        G  10   1.569  -7.077  10.996
  102    H3*    G  10           H3*        G  10  -0.667  -7.870  12.403
  103    H2*    G  10           H2*        G  10  -2.388  -7.283  10.987
  104   2HO*    G  10          2HO*        G  10  -2.107  -5.537  12.764
  105    H1*    G  10           H1*        G  10  -1.194  -4.921   9.697
  106    H8     G  10           H8         G  10  -0.755  -7.843   7.528
  107    H1     G  10           H1         G  10  -6.850  -5.843   7.506
  108   1H2     G  10          1H2         G  10  -7.198  -4.456   9.184
  109   2H2     G  10          2H2         G  10  -5.939  -4.010  10.312
  110   1H5*    A  11          1H5*        A  11   3.219  -5.678  11.650
  111   2H5*    A  11          2H5*        A  11   3.162  -3.915  11.445
  112    H4*    A  11           H4*        A  11   4.570  -5.534   9.782
  113    H3*    A  11           H3*        A  11   3.396  -2.827   9.627
  114    H2*    A  11           H2*        A  11   2.649  -2.914   7.487
  115   2HO*    A  11          2HO*        A  11   4.498  -4.106   6.065
  116    H1*    A  11           H1*        A  11   3.532  -5.627   6.791
  117    H8     A  11           H8         A  11   0.354  -3.777   8.159
  118   1H6     A  11          1H6         A  11  -2.331  -5.853   2.984
  119   2H6     A  11          2H6         A  11  -2.556  -4.921   4.448
  120    H2     A  11           H2         A  11   1.907  -7.303   3.036
  121   1H5*    C  12          1H5*        C  12   8.772  -3.803   7.527
  122   2H5*    C  12          2H5*        C  12   8.410  -2.124   7.080
  123    H4*    C  12           H4*        C  12   9.588  -3.946   5.389
  124    H3*    C  12           H3*        C  12   8.134  -1.350   5.083
  125    H2*    C  12           H2*        C  12   7.518  -1.689   2.905
  126   2HO*    C  12          2HO*        C  12  10.032  -2.816   2.821
  127    H1*    C  12           H1*        C  12   7.598  -4.501   2.712
  128   1H4     C  12          1H4         C  12   1.531  -2.820   1.932
  129   2H4     C  12          2H4         C  12   1.459  -2.149   3.545
  130    H5     C  12           H5         C  12   3.352  -2.071   5.030
  131    H6     C  12           H6         C  12   5.728  -2.618   5.286
  132   1H5*    A  13          1H5*        A  13   9.661   1.923   2.381
  133   2H5*    A  13          2H5*        A  13   8.336   0.905   2.978
  134    H4*    A  13           H4*        A  13   9.519   0.360   0.247
  135    H3*    A  13           H3*        A  13   7.956   2.746   1.133
  136    H2*    A  13           H2*        A  13   6.177   2.390  -0.251
  137   2HO*    A  13          2HO*        A  13   7.619   2.612  -2.083
  138    H1*    A  13           H1*        A  13   6.571  -0.367  -0.925
  139    H8     A  13           H8         A  13   5.684   0.685   2.675
  140   1H6     A  13          1H6         A  13  -0.212  -0.002   0.953
  141   2H6     A  13          2H6         A  13   0.873   0.301   2.290
  142    H2     A  13           H2         A  13   2.359  -0.466  -2.691
  143   1H5*    U  14          1H5*        U  14   9.435   2.722  -3.105
  144   2H5*    U  14          2H5*        U  14   9.738   4.317  -3.825
  145    H4*    U  14           H4*        U  14   8.258   2.766  -5.217
  146    H3*    U  14           H3*        U  14   7.759   5.573  -4.357
  147    H2*    U  14           H2*        U  14   5.508   5.585  -4.706
  148   2HO*    U  14          2HO*        U  14   6.229   3.971  -6.902
  149    H1*    U  14           H1*        U  14   4.950   2.785  -4.828
  150    H3     U  14           H3         U  14   1.663   4.728  -2.366
  151    H5     U  14           H5         U  14   5.056   4.836   0.132
  152    H6     U  14           H6         U  14   6.377   4.031  -1.740
  153   1H5*    U  15          1H5*        U  15   6.112   8.707  -6.791
  154   2H5*    U  15          2H5*        U  15   6.722   8.003  -5.279
  155    H4*    U  15           H4*        U  15   3.887   7.484  -6.246
  156    H3*    U  15           H3*        U  15   5.077   9.984  -5.229
  157    H2*    U  15           H2*        U  15   4.339   9.864  -3.086
  158   2HO*    U  15          2HO*        U  15   2.220  10.095  -2.780
  159    H1*    U  15           H1*        U  15   2.791   7.366  -3.271
  160    H3     U  15           H3         U  15   3.744   8.177   1.158
  161    H5     U  15           H5         U  15   7.329   6.778  -0.564
  162    H6     U  15           H6         U  15   6.274   6.952  -2.742
  163   1H5*    U  16          1H5*        U  16   3.101   9.368  -9.939
  164   2H5*    U  16          2H5*        U  16   2.389  10.975 -10.194
  165    H4*    U  16           H4*        U  16   1.101   9.101 -11.306
  166    H3*    U  16           H3*        U  16   0.181  11.314  -9.758
  167    H2*    U  16           H2*        U  16  -1.098  10.296  -8.174
  168   2HO*    U  16          2HO*        U  16  -2.880   8.896  -9.313
  169    H1*    U  16           H1*        U  16  -1.303   7.599  -9.311
  170    H3     U  16           H3         U  16  -2.162   6.495  -5.065
  171    H5     U  16           H5         U  16   1.430   8.680  -4.758
  172    H6     U  16           H6         U  16   1.290   9.114  -7.142
  173   1H5*    G  17          1H5*        G  17  -1.820  14.576 -10.819
  174   2H5*    G  17          2H5*        G  17  -1.007  14.235  -9.279
  175    H4*    G  17           H4*        G  17  -3.326  12.644 -10.471
  176    H3*    G  17           H3*        G  17  -3.045  14.920  -8.539
  177    H2*    G  17           H2*        G  17  -4.074  13.892  -6.776
  178   2HO*    G  17          2HO*        G  17  -5.545  11.925  -7.678
  179    H1*    G  17           H1*        G  17  -3.813  11.162  -7.487
  180    H8     G  17           H8         G  17  -0.361  12.324  -7.070
  181    H1     G  17           H1         G  17  -3.496  12.296  -1.473
  182   1H2     G  17          1H2         G  17  -5.664  12.107  -1.820
  183   2H2     G  17          2H2         G  17  -6.353  11.985  -3.424
  184   1H5*    A  18          1H5*        A  18  -7.397  15.624 -10.561
  185   2H5*    A  18          2H5*        A  18  -7.663  17.367 -10.366
  186    H4*    A  18           H4*        A  18  -9.266  15.878  -9.048
  187    H3*    A  18           H3*        A  18  -7.561  18.124  -8.028
  188    H2*    A  18           H2*        A  18  -7.862  17.661  -5.798
  189   2HO*    A  18          2HO*        A  18 -10.351  16.836  -6.710
  190    H1*    A  18           H1*        A  18  -8.293  14.904  -5.859
  191    H8     A  18           H8         A  18  -5.211  16.503  -7.607
  192   1H6     A  18          1H6         A  18  -2.300  15.565  -2.230
  193   2H6     A  18          2H6         A  18  -2.129  16.106  -3.886
  194    H2     A  18           H2         A  18  -6.597  14.398  -1.708
  195   1H5*    U  19          1H5*        U  19 -11.632  18.791  -5.693
  196   2H5*    U  19          2H5*        U  19 -11.674  20.553  -5.897
  197    H4*    U  19           H4*        U  19 -11.837  19.783  -3.483
  198    H3*    U  19           H3*        U  19  -9.729  21.638  -4.611
  199    H2*    U  19           H2*        U  19  -8.567  21.745  -2.614
  200   2HO*    U  19          2HO*        U  19 -10.831  20.683  -1.244
  201    H1*    U  19           H1*        U  19  -9.102  19.189  -1.619
  202    H3     U  19           H3         U  19  -4.633  19.014  -1.903
  203    H5     U  19           H5         U  19  -5.795  19.839  -5.872
  204    H6     U  19           H6         U  19  -8.096  19.940  -5.107
  205   1H5*    A  20          1H5*        A  20  -9.462  26.176  -2.999
  206   2H5*    A  20          2H5*        A  20  -8.712  24.681  -3.592
  207    H4*    A  20           H4*        A  20  -9.078  25.044  -0.613
  208    H3*    A  20           H3*        A  20  -7.459  26.774  -2.381
  209    H2*    A  20           H2*        A  20  -5.421  25.906  -1.885
  210   2HO*    A  20          2HO*        A  20  -5.326  25.454   0.673
  211    H1*    A  20           H1*        A  20  -6.274  23.850   0.038
  212    H8     A  20           H8         A  20  -6.207  22.944  -3.647
  213   1H6     A  20          1H6         A  20  -0.308  21.283  -2.743
  214   2H6     A  20          2H6         A  20  -1.654  21.248  -3.859
  215    H2     A  20           H2         A  20  -1.728  23.434   0.918
  216   1H5*    C  21          1H5*        C  21  -5.423  30.097   1.773
  217   2H5*    C  21          2H5*        C  21  -4.910  28.889   0.575
  218    H4*    C  21           H4*        C  21  -5.647  28.092   3.414
  219    H3*    C  21           H3*        C  21  -3.256  29.541   2.392
  220    H2*    C  21           H2*        C  21  -1.705  27.933   2.868
  221   2HO*    C  21          2HO*        C  21  -3.398  26.959   4.945
  222    H1*    C  21           H1*        C  21  -3.322  25.619   3.105
  223   1H4     C  21          1H4         C  21   0.973  25.128  -1.639
  224   2H4     C  21          2H4         C  21  -0.331  25.460  -2.758
  225    H5     C  21           H5         C  21  -2.542  26.118  -2.049
  226    H6     C  21           H6         C  21  -3.971  26.603  -0.115
  227   1H5*    A  22          1H5*        A  22  -1.190  32.737   3.840
  228   2H5*    A  22          2H5*        A  22  -1.739  31.458   2.734
  229    H4*    A  22           H4*        A  22   0.499  30.928   4.718
  230    H3*    A  22           H3*        A  22   0.518  32.649   2.257
  231    H2*    A  22           H2*        A  22   2.123  31.456   1.134
  232   2HO*    A  22          2HO*        A  22   3.040  30.455   3.647
  233    H1*    A  22           H1*        A  22   1.850  28.913   2.290
  234    H8     A  22           H8         A  22  -1.444  29.145   0.965
  235   1H6     A  22          1H6         A  22   0.748  29.427  -4.817
  236   2H6     A  22          2H6         A  22  -0.672  29.169  -3.827
  237    H2     A  22           H2         A  22   4.148  30.188  -2.001
  238   1H5*    C  23          1H5*        C  23   4.384  31.847   1.955
  239   2H5*    C  23          2H5*        C  23   5.184  33.318   2.540
  240    H4*    C  23           H4*        C  23   6.186  32.824   0.409
  241    H3*    C  23           H3*        C  23   4.666  35.223   0.870
  242    H2*    C  23           H2*        C  23   3.101  35.038  -0.789
  243   2HO*    C  23          2HO*        C  23   3.873  36.146  -2.399
  244    H1*    C  23           H1*        C  23   4.563  33.104  -2.508
  245   1H4     C  23          1H4         C  23  -1.463  31.936  -4.056
  246   2H4     C  23          2H4         C  23  -2.011  32.263  -2.427
  247    H5     C  23           H5         C  23  -0.533  32.889  -0.635
  248    H6     C  23           H6         C  23   1.796  33.336  -0.014
  249   1H5*    U  24          1H5*        U  24   9.590  36.844  -1.331
  250   2H5*    U  24          2H5*        U  24   8.886  35.316  -0.758
  251    H4*    U  24           H4*        U  24  11.133  36.370   0.334
  252    H3*    U  24           H3*        U  24   9.385  34.289   0.951
  253    H2*    U  24           H2*        U  24   8.088  35.306   2.583
  254   2HO*    U  24          2HO*        U  24   9.148  33.963   3.947
  255    H1*    U  24           H1*        U  24  10.205  37.164   3.566
  256    H3     U  24           H3         U  24   7.172  39.647   5.696
  257    H5     U  24           H5         U  24   5.012  38.252   2.355
  258    H6     U  24           H6         U  24   7.005  37.058   1.647
  259   1H5*    A  25          1H5*        A  25  12.188  31.968  -0.735
  260   2H5*    A  25          2H5*        A  25  11.403  33.506  -1.143
  261    H4*    A  25           H4*        A  25  10.873  31.303  -2.553
  262    H3*    A  25           H3*        A  25   9.639  33.770  -2.226
  263    H2*    A  25           H2*        A  25   8.100  33.238  -0.566
  264   2HO*    A  25          2HO*        A  25   6.653  31.899  -2.608
  265    H1*    A  25           H1*        A  25   7.593  30.455  -1.539
  266    H8     A  25           H8         A  25   9.137  32.175   1.633
  267   1H6     A  25          1H6         A  25   4.570  29.323   4.677
  268   2H6     A  25          2H6         A  25   5.976  30.353   4.823
  269    H2     A  25           H2         A  25   4.128  28.390   0.316
  270   1H5*    U  26          1H5*        U  26   9.531  28.969  -1.726
  271   2H5*    U  26          2H5*        U  26  10.157  28.713  -3.368
  272    H4*    U  26           H4*        U  26   8.419  26.994  -2.001
  273    H3*    U  26           H3*        U  26   9.917  26.844  -4.274
  274    H2*    U  26           H2*        U  26   8.582  28.024  -5.769
  275   2HO*    U  26          2HO*        U  26   6.743  26.244  -6.303
  276    H1*    U  26           H1*        U  26   5.938  27.164  -4.740
  277    H3     U  26           H3         U  26   6.043  30.516  -8.140
  278    H5     U  26           H5         U  26   5.721  32.297  -4.333
  279    H6     U  26           H6         U  26   6.258  30.145  -3.353
  280   1H5*    U  27          1H5*        U  27   9.991  23.403  -0.360
  281   2H5*    U  27          2H5*        U  27   8.516  23.485  -1.341
  282    H4*    U  27           H4*        U  27   9.643  25.721   0.408
  283    H3*    U  27           H3*        U  27   7.578  23.567   0.719
  284    H2*    U  27           H2*        U  27   5.858  24.984   1.278
  285   2HO*    U  27          2HO*        U  27   6.145  26.759   2.537
  286    H1*    U  27           H1*        U  27   6.742  27.403   0.120
  287    H3     U  27           H3         U  27   2.384  25.661  -0.640
  288    H5     U  27           H5         U  27   4.785  25.057  -4.052
  289    H6     U  27           H6         U  27   6.719  25.655  -2.715
  290   1H5*    U  28          1H5*        U  28   6.831  20.699   3.076
  291   2H5*    U  28          2H5*        U  28   6.647  21.997   1.878
  292    H4*    U  28           H4*        U  28   5.633  22.638   4.611
  293    H3*    U  28           H3*        U  28   4.634  20.297   2.960
  294    H2*    U  28           H2*        U  28   2.422  20.965   3.137
  295   2HO*    U  28          2HO*        U  28   2.721  22.980   5.008
  296    H1*    U  28           H1*        U  28   2.770  23.726   3.160
  297    H3     U  28           H3         U  28   0.154  22.301  -0.350
  298    H5     U  28           H5         U  28   4.141  21.837  -1.636
  299    H6     U  28           H6         U  28   4.861  22.350   0.623
  300   1H5*    A  29          1H5*        A  29   2.246  20.754   5.891
  301   2H5*    A  29          2H5*        A  29   1.970  19.401   7.004
  302    H4*    A  29           H4*        A  29  -0.211  20.218   6.410
  303    H3*    A  29           H3*        A  29   0.687  17.677   5.009
  304    H2*    A  29           H2*        A  29  -1.134  17.678   3.614
  305   2HO*    A  29          2HO*        A  29  -3.081  19.017   4.536
  306    H1*    A  29           H1*        A  29  -1.871  20.459   3.917
  307    H8     A  29           H8         A  29   1.340  19.510   2.026
  308   1H6     A  29          1H6         A  29  -2.240  19.151  -3.004
  309   2H6     A  29          2H6         A  29  -0.601  19.105  -2.396
  310    H2     A  29           H2         A  29  -4.897  19.787   0.552
  311   1H5*    U  30          1H5*        U  30  -3.409  17.882   7.050
  312   2H5*    U  30          2H5*        U  30  -3.951  16.260   7.526
  313    H4*    U  30           H4*        U  30  -5.661  17.716   6.251
  314    H3*    U  30           H3*        U  30  -4.813  14.889   5.733
  315    H2*    U  30           H2*        U  30  -5.791  14.738   3.669
  316   2HO*    U  30          2HO*        U  30  -7.598  16.858   4.093
  317    H1*    U  30           H1*        U  30  -6.003  17.507   3.008
  318    H3     U  30           H3         U  30  -4.405  15.489  -0.711
  319    H5     U  30           H5         U  30  -1.241  15.173   2.056
  320    H6     U  30           H6         U  30  -2.716  16.098   3.749
  321   1H5*    C  31          1H5*        C  31  -7.016  11.217   6.814
  322   2H5*    C  31          2H5*        C  31  -5.851  12.296   6.024
  323    H4*    C  31           H4*        C  31  -8.607  11.803   4.837
  324    H3*    C  31           H3*        C  31  -6.160  10.048   4.899
  325    H2*    C  31           H2*        C  31  -5.984   9.854   2.622
  326   2HO*    C  31          2HO*        C  31  -7.697   9.464   1.413
  327    H1*    C  31           H1*        C  31  -7.335  12.202   1.794
  328   1H4     C  31          1H4         C  31  -1.278  12.709  -0.058
  329   2H4     C  31          2H4         C  31  -0.736  12.816   1.601
  330    H5     C  31           H5         C  31  -2.220  12.626   3.489
  331    H6     C  31           H6         C  31  -4.543  12.284   4.192
  332   1H5*    A  32          1H5*        A  32  -7.125   5.972   2.246
  333   2H5*    A  32          2H5*        A  32  -6.292   7.536   2.365
  334    H4*    A  32           H4*        A  32  -8.691   7.383   0.557
  335    H3*    A  32           H3*        A  32  -6.140   5.812   0.217
  336    H2*    A  32           H2*        A  32  -5.662   6.680  -1.849
  337   2HO*    A  32          2HO*        A  32  -8.267   7.585  -2.383
  338    H1*    A  32           H1*        A  32  -7.100   9.122  -1.725
  339    H8     A  32           H8         A  32  -4.625   9.500   0.923
  340   1H6     A  32          1H6         A  32  -0.190   9.972  -3.369
  341   2H6     A  32          2H6         A  32  -0.591  10.201  -1.682
  342    H2     A  32           H2         A  32  -3.892   8.413  -5.356
  343   1H5*    A  33          1H5*        A  33  -7.931   5.348  -2.831
  344   2H5*    A  33          2H5*        A  33  -8.881   3.931  -3.324
  345    H4*    A  33           H4*        A  33  -7.766   4.429  -5.321
  346    H3*    A  33           H3*        A  33  -6.433   2.341  -3.637
  347    H2*    A  33           H2*        A  33  -4.356   2.452  -4.618
  348   2HO*    A  33          2HO*        A  33  -4.761   3.834  -6.891
  349    H1*    A  33           H1*        A  33  -4.243   5.077  -5.493
  350    H8     A  33           H8         A  33  -5.394   4.555  -1.855
  351   1H6     A  33          1H6         A  33   0.614   4.614  -0.395
  352   2H6     A  33          2H6         A  33  -1.020   4.585   0.227
  353    H2     A  33           H2         A  33   0.273   4.659  -4.865
  354   1H5*    U  34          1H5*        U  34  -5.945   0.263  -7.428
  355   2H5*    U  34          2H5*        U  34  -5.488  -1.386  -6.955
  356    H4*    U  34           H4*        U  34  -3.693   0.603  -7.641
  357    H3*    U  34           H3*        U  34  -3.530  -1.988  -6.077
  358    H2*    U  34           H2*        U  34  -1.538  -1.452  -5.090
  359   2HO*    U  34          2HO*        U  34  -0.945  -0.781  -7.569
  360    H1*    U  34           H1*        U  34  -1.614   1.396  -5.382
  361    H3     U  34           H3         U  34  -0.130  -0.209  -1.264
  362    H5     U  34           H5         U  34  -4.308   0.296  -0.999
  363    H6     U  34           H6         U  34  -4.353   0.623  -3.405
  364   1H5*    G  35          1H5*        G  35  -1.909  -5.876  -8.058
  365   2H5*    G  35          2H5*        G  35  -2.014  -4.817  -6.636
  366    H4*    G  35           H4*        G  35   0.556  -5.362  -8.197
  367    H3*    G  35           H3*        G  35  -0.839  -6.754  -5.933
  368    H2*    G  35           H2*        G  35   0.854  -6.546  -4.413
  369   2HO*    G  35          2HO*        G  35   2.266  -7.735  -5.873
  370    H1*    G  35           H1*        G  35   2.327  -4.389  -5.516
  371    H8     G  35           H8         G  35  -1.279  -3.639  -4.492
  372    H1     G  35           H1         G  35   2.934  -3.484   0.343
  373   1H2     G  35          1H2         G  35   4.883  -4.264  -0.323
  374   2H2     G  35          2H2         G  35   5.163  -4.822  -1.958
  375   1H5*    G  36          1H5*        G  36  -0.301 -10.118  -3.974
  376   2H5*    G  36          2H5*        G  36  -0.472  -8.404  -4.402
  377    H4*    G  36           H4*        G  36   2.116  -8.310  -3.755
  378    H3*    G  36           H3*        G  36   1.433 -11.044  -3.094
  379    H2*    G  36           H2*        G  36   1.134 -10.972  -0.844
  380   2HO*    G  36          2HO*        G  36   2.652  -9.297   0.286
  381    H1*    G  36           H1*        G  36   1.052  -8.248  -0.185
  382    H8     G  36           H8         G  36  -1.735  -9.104  -2.564
  383    H1     G  36           H1         G  36  -2.790 -11.244   3.390
  384   1H2     G  36          1H2         G  36  -0.969 -11.049   4.606
  385   2H2     G  36          2H2         G  36   0.524 -10.396   3.968
  386   1H5*    A  37          1H5*        A  37   4.052 -14.083  -2.876
  387   2H5*    A  37          2H5*        A  37   2.304 -14.395  -2.868
  388    H4*    A  37           H4*        A  37   3.784 -12.500  -0.987
  389    H3*    A  37           H3*        A  37   3.426 -15.358  -0.937
  390    H2*    A  37           H2*        A  37   1.328 -15.505  -0.043
  391   2HO*    A  37          2HO*        A  37   1.224 -14.865   2.215
  392    H1*    A  37           H1*        A  37   1.141 -12.756   1.049
  393    H8     A  37           H8         A  37  -0.377 -13.902  -2.298
  394   1H6     A  37          1H6         A  37  -5.696 -14.398   0.820
  395   2H6     A  37          2H6         A  37  -4.941 -14.444  -0.758
  396    H2     A  37           H2         A  37  -2.423 -13.593   3.774
  397   1H5*    U  38          1H5*        U  38   5.722 -14.730   3.816
  398   2H5*    U  38          2H5*        U  38   5.943 -16.492   3.815
  399    H4*    U  38           H4*        U  38   4.717 -16.521   5.732
  400    H3*    U  38           H3*        U  38   2.913 -16.476   3.520
  401    H2*    U  38           H2*        U  38   1.426 -14.840   4.045
  402   2HO*    U  38          2HO*        U  38   0.564 -14.800   6.244
  403    H1*    U  38           H1*        U  38   2.449 -13.657   6.397
  404    H3     U  38           H3         U  38   2.174  -9.707   4.372
  405    H5     U  38           H5         U  38   3.570 -12.209   1.281
  406    H6     U  38           H6         U  38   3.540 -14.058   2.856
  407   1H5*    G  39          1H5*        G  39   0.909 -19.860   7.289
  408   2H5*    G  39          2H5*        G  39   0.763 -19.090   5.697
  409    H4*    G  39           H4*        G  39  -1.326 -18.752   7.895
  410    H3*    G  39           H3*        G  39  -0.746 -20.998   6.020
  411    H2*    G  39           H2*        G  39  -2.721 -20.948   4.853
  412   2HO*    G  39          2HO*        G  39  -3.858 -19.719   7.167
  413    H1*    G  39           H1*        G  39  -3.500 -18.290   5.096
  414    H8     G  39           H8         G  39  -0.377 -17.513   3.671
  415    H1     G  39           H1         G  39  -3.410 -21.531  -0.300
  416   1H2     G  39          1H2         G  39  -5.080 -22.515   0.740
  417   2H2     G  39          2H2         G  39  -5.461 -22.202   2.418
  418   1H5*    U  40          1H5*        U  40  -3.333 -23.853   8.430
  419   2H5*    U  40          2H5*        U  40  -2.371 -25.290   8.033
  420    H4*    U  40           H4*        U  40  -4.747 -24.835   6.872
  421    H3*    U  40           H3*        U  40  -2.183 -26.095   5.898
  422    H2*    U  40           H2*        U  40  -2.859 -26.157   3.703
  423   2HO*    U  40          2HO*        U  40  -5.518 -26.091   4.731
  424    H1*    U  40           H1*        U  40  -4.632 -23.968   3.668
  425    H3     U  40           H3         U  40  -1.446 -23.731   0.346
  426    H5     U  40           H5         U  40   0.320 -22.064   3.791
  427    H6     U  40           H6         U  40  -1.578 -22.869   5.071
  428   1H5*    C  41          1H5*        C  41  -3.961 -30.674   6.309
  429   2H5*    C  41          2H5*        C  41  -2.254 -31.145   6.183
  430    H4*    C  41           H4*        C  41  -4.103 -31.668   4.237
  431    H3*    C  41           H3*        C  41  -1.099 -31.272   4.260
  432    H2*    C  41           H2*        C  41  -0.974 -31.185   1.948
  433   2HO*    C  41          2HO*        C  41  -3.596 -31.942   1.394
  434    H1*    C  41           H1*        C  41  -3.363 -29.899   1.390
  435   1H4     C  41          1H4         C  41   1.583 -25.881   0.838
  436   2H4     C  41          2H4         C  41   1.463 -25.495   2.540
  437    H5     C  41           H5         C  41  -0.071 -26.606   4.040
  438    H6     C  41           H6         C  41  -1.804 -28.334   4.227
  439   1H5*    U  42          1H5*        U  42  -1.184 -34.795   1.821
  440   2H5*    U  42          2H5*        U  42   0.526 -35.224   1.652
  441    H4*    U  42           H4*        U  42  -0.907 -33.744  -0.190
  442    H3*    U  42           H3*        U  42   2.026 -34.128   0.441
  443    H2*    U  42           H2*        U  42   2.670 -32.297  -0.773
  444   2HO*    U  42          2HO*        U  42   1.064 -31.545  -2.508
  445    H1*    U  42           H1*        U  42   0.204 -30.849  -0.780
  446    H3     U  42           H3         U  42   3.909 -28.198   0.050
  447    H5     U  42           H5         U  42   2.638 -29.736   3.765
  448    H6     U  42           H6         U  42   1.160 -31.238   2.561
  449   1H5*    C  43          1H5*        C  43   4.213 -37.208  -0.429
  450   2H5*    C  43          2H5*        C  43   3.641 -35.576  -0.024
  451    H4*    C  43           H4*        C  43   5.348 -35.949  -2.487
  452    H3*    C  43           H3*        C  43   6.136 -36.378   0.367
  453    H2*    C  43           H2*        C  43   7.602 -34.664   0.522
  454   2HO*    C  43          2HO*        C  43   8.231 -35.086  -2.230
  455    H1*    C  43           H1*        C  43   6.936 -33.231  -1.904
  456   1H4     C  43          1H4         C  43   6.727 -28.892   2.729
  457   2H4     C  43          2H4         C  43   5.527 -29.816   3.607
  458    H5     C  43           H5         C  43   4.722 -31.963   2.878
  459    H6     C  43           H6         C  43   4.890 -33.695   1.152
  460    H3T    C  43           H3T        C  43   7.206 -36.926  -2.210
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  11.042 -22.822  -0.046
    2   2H5*    G   1          2H5*        G   1  12.800 -22.862  -0.275
    3    H4*    G   1           H4*        G   1  12.579 -24.513  -2.071
    4    H3*    G   1           H3*        G   1   9.749 -23.563  -1.953
    5    H2*    G   1           H2*        G   1   8.789 -25.565  -1.496
    6   2HO*    G   1          2HO*        G   1   9.428 -26.031  -3.787
    7    H1*    G   1           H1*        G   1  11.233 -27.171  -1.243
    8    H8     G   1           H8         G   1  10.095 -25.256   1.816
    9    H1     G   1           H1         G   1   7.053 -30.847   1.011
   10   1H2     G   1          1H2         G   1   7.512 -31.681  -0.977
   11   2H2     G   1          2H2         G   1   8.564 -30.870  -2.115
   12    H5T    G   1           H5T        G   1  13.108 -20.631   0.291
   13   1H5*    A   2          1H5*        A   2   9.807 -26.447  -6.507
   14   2H5*    A   2          2H5*        A   2   8.697 -25.153  -7.002
   15    H4*    A   2           H4*        A   2   7.766 -27.431  -7.466
   16    H3*    A   2           H3*        A   2   6.487 -25.413  -5.640
   17    H2*    A   2           H2*        A   2   4.945 -26.878  -4.794
   18   2HO*    A   2          2HO*        A   2   5.140 -28.660  -6.981
   19    H1*    A   2           H1*        A   2   6.247 -29.356  -5.369
   20    H8     A   2           H8         A   2   8.157 -27.186  -2.928
   21   1H6     A   2          1H6         A   2   4.377 -29.348   1.468
   22   2H6     A   2          2H6         A   2   5.829 -28.428   1.139
   23    H2     A   2           H2         A   2   2.773 -30.649  -2.512
   24   1H5*    G   3          1H5*        G   3   3.353 -26.963  -9.386
   25   2H5*    G   3          2H5*        G   3   1.884 -26.109  -8.876
   26    H4*    G   3           H4*        G   3   2.059 -28.842  -9.099
   27    H3*    G   3           H3*        G   3   0.294 -26.924  -7.577
   28    H2*    G   3           H2*        G   3  -0.536 -28.549  -6.153
   29   2HO*    G   3          2HO*        G   3   0.461 -30.558  -7.919
   30    H1*    G   3           H1*        G   3   1.672 -30.181  -5.878
   31    H8     G   3           H8         G   3   2.818 -26.609  -5.493
   32    H1     G   3           H1         G   3  -0.448 -28.732  -0.398
   33   1H2     G   3          1H2         G   3  -1.405 -30.657  -0.853
   34   2H2     G   3          2H2         G   3  -1.252 -31.442  -2.410
   35   1H5*    A   4          1H5*        A   4  -3.657 -28.410 -10.041
   36   2H5*    A   4          2H5*        A   4  -4.283 -26.764  -9.812
   37    H4*    A   4           H4*        A   4  -5.446 -28.885  -8.636
   38    H3*    A   4           H3*        A   4  -5.097 -26.001  -7.851
   39    H2*    A   4           H2*        A   4  -5.686 -26.322  -5.649
   40   2HO*    A   4          2HO*        A   4  -7.207 -27.730  -5.035
   41    H1*    A   4           H1*        A   4  -4.860 -28.963  -5.257
   42    H8     A   4           H8         A   4  -1.992 -26.957  -6.664
   43   1H6     A   4          1H6         A   4  -1.216 -24.612  -0.988
   44   2H6     A   4          2H6         A   4  -0.534 -24.753  -2.592
   45    H2     A   4           H2         A   4  -5.081 -26.876  -1.042
   46   1H5*    C   5          1H5*        C   5 -10.027 -27.003  -7.185
   47   2H5*    C   5          2H5*        C   5 -10.464 -25.295  -7.410
   48    H4*    C   5           H4*        C   5 -11.270 -26.540  -5.231
   49    H3*    C   5           H3*        C   5 -10.228 -23.768  -5.704
   50    H2*    C   5           H2*        C   5  -9.751 -23.285  -3.509
   51   2HO*    C   5          2HO*        C   5 -10.946 -24.032  -1.834
   52    H1*    C   5           H1*        C   5  -9.163 -25.789  -2.475
   53   1H4     C   5          1H4         C   5  -3.591 -22.805  -3.103
   54   2H4     C   5          2H4         C   5  -3.735 -22.795  -4.847
   55    H5     C   5           H5         C   5  -5.664 -23.649  -6.015
   56    H6     C   5           H6         C   5  -7.870 -24.689  -5.763
   57   1H5*    U   6          1H5*        U   6 -14.278 -21.054  -2.739
   58   2H5*    U   6          2H5*        U   6 -12.868 -20.649  -3.736
   59    H4*    U   6           H4*        U   6 -12.844 -22.488  -1.294
   60    H3*    U   6           H3*        U   6 -12.817 -19.620  -1.534
   61    H2*    U   6           H2*        U   6 -10.599 -19.251  -1.898
   62   2HO*    U   6          2HO*        U   6  -9.360 -20.299   0.134
   63    H1*    U   6           H1*        U   6  -9.566 -21.902  -1.068
   64    H3     U   6           H3         U   6  -5.989 -20.050  -3.158
   65    H5     U   6           H5         U   6  -8.929 -20.316  -6.169
   66    H6     U   6           H6         U   6 -10.507 -21.032  -4.471
   67   1H5*    A   7          1H5*        A   7 -11.145 -17.808   3.214
   68   2H5*    A   7          2H5*        A   7 -10.670 -17.939   1.509
   69    H4*    A   7           H4*        A   7  -9.437 -19.723   3.641
   70    H3*    A   7           H3*        A   7  -9.008 -16.822   3.058
   71    H2*    A   7           H2*        A   7  -6.796 -17.001   2.525
   72   2HO*    A   7          2HO*        A   7  -6.846 -18.569   4.711
   73    H1*    A   7           H1*        A   7  -6.606 -19.761   1.879
   74    H8     A   7           H8         A   7  -8.752 -18.571  -0.773
   75   1H6     A   7          1H6         A   7  -4.037 -15.340  -3.138
   76   2H6     A   7          2H6         A   7  -5.639 -15.974  -3.435
   77    H2     A   7           H2         A   7  -2.929 -16.577   1.026
   78   1H5*    U   8          1H5*        U   8  -6.599 -17.620   6.648
   79   2H5*    U   8          2H5*        U   8  -6.739 -16.302   7.829
   80    H4*    U   8           H4*        U   8  -4.364 -16.739   7.043
   81    H3*    U   8           H3*        U   8  -5.877 -14.187   7.068
   82    H2*    U   8           H2*        U   8  -4.631 -13.058   5.519
   83   2HO*    U   8          2HO*        U   8  -2.364 -13.400   5.342
   84    H1*    U   8           H1*        U   8  -3.335 -15.153   4.139
   85    H3     U   8           H3         U   8  -5.102 -12.569   0.878
   86    H5     U   8           H5         U   8  -8.450 -14.386   2.684
   87    H6     U   8           H6         U   8  -6.966 -15.275   4.386
   88   1H5*    C   9          1H5*        C   9  -3.943 -11.367  10.634
   89   2H5*    C   9          2H5*        C   9  -3.958 -10.411   9.139
   90    H4*    C   9           H4*        C   9  -2.022 -12.614   9.939
   91    H3*    C   9           H3*        C   9  -1.962  -9.840  10.184
   92    H2*    C   9           H2*        C   9  -1.758  -9.166   7.987
   93   2HO*    C   9          2HO*        C   9   0.436  -9.328   7.238
   94    H1*    C   9           H1*        C   9  -0.455 -11.587   6.891
   95   1H4     C   9          1H4         C   9  -3.530  -8.930   1.978
   96   2H4     C   9          2H4         C   9  -5.056  -9.442   2.662
   97    H5     C   9           H5         C   9  -5.253 -10.483   4.820
   98    H6     C   9           H6         C   9  -4.036 -11.259   6.797
   99   1H5*    G  10          1H5*        G  10   0.347  -7.561  12.041
  100   2H5*    G  10          2H5*        G  10  -1.178  -7.420  11.143
  101    H4*    G  10           H4*        G  10   1.468  -6.051  10.491
  102    H3*    G  10           H3*        G  10  -0.758  -5.345  12.139
  103    H2*    G  10           H2*        G  10  -2.234  -4.600  10.556
  104   2HO*    G  10          2HO*        G  10  -1.880  -2.499   9.978
  105    H1*    G  10           H1*        G  10  -0.256  -4.084   8.396
  106    H8     G  10           H8         G  10  -1.651  -6.984   7.145
  107    H1     G  10           H1         G  10  -6.379  -2.669   7.537
  108   1H2     G  10          1H2         G  10  -5.799  -1.026   8.886
  109   2H2     G  10          2H2         G  10  -4.246  -0.978   9.694
  110   1H5*    A  11          1H5*        A  11   3.785  -2.004  11.975
  111   2H5*    A  11          2H5*        A  11   2.325  -2.346  11.025
  112    H4*    A  11           H4*        A  11   5.147  -3.072  10.115
  113    H3*    A  11           H3*        A  11   3.600  -0.533  10.064
  114    H2*    A  11           H2*        A  11   3.241  -0.428   7.824
  115   2HO*    A  11          2HO*        A  11   5.318   0.139   7.348
  116    H1*    A  11           H1*        A  11   4.280  -3.027   7.031
  117    H8     A  11           H8         A  11   0.936  -1.517   8.426
  118   1H6     A  11          1H6         A  11  -1.398  -3.212   2.952
  119   2H6     A  11          2H6         A  11  -1.743  -2.453   4.490
  120    H2     A  11           H2         A  11   2.923  -4.395   3.052
  121   1H5*    C  12          1H5*        C  12   9.252  -0.354   8.888
  122   2H5*    C  12          2H5*        C  12   8.739   1.180   8.157
  123    H4*    C  12           H4*        C  12  10.528  -0.552   6.992
  124    H3*    C  12           H3*        C  12   8.798   1.707   6.067
  125    H2*    C  12           H2*        C  12   8.696   1.052   3.872
  126   2HO*    C  12          2HO*        C  12  10.761   1.007   3.255
  127    H1*    C  12           H1*        C  12   9.108  -1.707   4.045
  128   1H4     C  12          1H4         C  12   3.043  -0.964   2.354
  129   2H4     C  12          2H4         C  12   2.684  -0.088   3.826
  130    H5     C  12           H5         C  12   4.344   0.435   5.490
  131    H6     C  12           H6         C  12   6.709   0.231   6.101
  132   1H5*    A  13          1H5*        A  13  12.159   5.054   3.400
  133   2H5*    A  13          2H5*        A  13  10.492   4.568   3.763
  134    H4*    A  13           H4*        A  13  12.375   2.940   2.000
  135    H3*    A  13           H3*        A  13  11.267   5.470   1.408
  136    H2*    A  13           H2*        A  13   9.054   4.901   1.144
  137   2HO*    A  13          2HO*        A  13   9.393   3.289  -1.030
  138    H1*    A  13           H1*        A  13   9.461   2.040   0.433
  139    H8     A  13           H8         A  13   8.213   3.722   3.716
  140   1H6     A  13          1H6         A  13   2.616   1.747   1.987
  141   2H6     A  13          2H6         A  13   3.543   2.542   3.242
  142    H2     A  13           H2         A  13   5.513   0.750  -1.288
  143   1H5*    U  14          1H5*        U  14  11.880   6.680  -3.649
  144   2H5*    U  14          2H5*        U  14  10.877   6.784  -2.189
  145    H4*    U  14           H4*        U  14  10.413   4.690  -4.355
  146    H3*    U  14           H3*        U  14   9.973   7.566  -4.471
  147    H2*    U  14           H2*        U  14   7.862   7.677  -3.629
  148   2HO*    U  14          2HO*        U  14   7.398   7.301  -5.911
  149    H1*    U  14           H1*        U  14   7.229   4.781  -3.686
  150    H3     U  14           H3         U  14   3.953   6.557  -1.086
  151    H5     U  14           H5         U  14   7.495   7.159   1.118
  152    H6     U  14           H6         U  14   8.748   6.363  -0.802
  153   1H5*    U  15          1H5*        U  15   8.090   9.977  -7.588
  154   2H5*    U  15          2H5*        U  15   8.860   9.551  -6.045
  155    H4*    U  15           H4*        U  15   5.923   8.954  -6.537
  156    H3*    U  15           H3*        U  15   7.155  11.598  -6.425
  157    H2*    U  15           H2*        U  15   7.024  11.964  -4.182
  158   2HO*    U  15          2HO*        U  15   4.452  11.437  -3.660
  159    H1*    U  15           H1*        U  15   5.255   9.687  -3.488
  160    H3     U  15           H3         U  15   6.743  10.762   0.631
  161    H5     U  15           H5         U  15  10.274   9.951  -1.524
  162    H6     U  15           H6         U  15   8.920   9.716  -3.524
  163   1H5*    U  16          1H5*        U  16   2.612  10.762 -10.065
  164   2H5*    U  16          2H5*        U  16   2.550  11.970  -8.765
  165    H4*    U  16           H4*        U  16   0.321  10.856  -9.275
  166    H3*    U  16           H3*        U  16   1.699  11.154  -6.651
  167    H2*    U  16           H2*        U  16   0.692   9.439  -5.540
  168   2HO*    U  16          2HO*        U  16  -1.605   9.870  -7.181
  169    H1*    U  16           H1*        U  16  -0.405   7.900  -7.651
  170    H3     U  16           H3         U  16   1.796   4.387  -6.039
  171    H5     U  16           H5         U  16   4.558   7.519  -5.460
  172    H6     U  16           H6         U  16   2.959   9.031  -6.489
  173   1H5*    G  17          1H5*        G  17  -1.521  12.219  -9.594
  174   2H5*    G  17          2H5*        G  17  -2.478  13.659 -10.000
  175    H4*    G  17           H4*        G  17  -3.937  11.836  -9.155
  176    H3*    G  17           H3*        G  17  -3.577  14.464  -7.721
  177    H2*    G  17           H2*        G  17  -4.537  13.786  -5.762
  178   2HO*    G  17          2HO*        G  17  -6.479  12.987  -5.859
  179    H1*    G  17           H1*        G  17  -4.337  10.951  -6.040
  180    H8     G  17           H8         G  17  -0.883  12.166  -5.758
  181    H1     G  17           H1         G  17  -4.070  12.887  -0.239
  182   1H2     G  17          1H2         G  17  -6.235  12.645  -0.575
  183   2H2     G  17          2H2         G  17  -6.907  12.302  -2.153
  184   1H5*    A  18          1H5*        A  18  -8.054  14.857  -9.583
  185   2H5*    A  18          2H5*        A  18  -8.310  16.613  -9.586
  186    H4*    A  18           H4*        A  18  -9.833  15.240  -8.021
  187    H3*    A  18           H3*        A  18  -8.192  17.681  -7.416
  188    H2*    A  18           H2*        A  18  -8.422  17.553  -5.135
  189   2HO*    A  18          2HO*        A  18 -10.625  15.785  -5.253
  190    H1*    A  18           H1*        A  18  -8.792  14.796  -4.784
  191    H8     A  18           H8         A  18  -5.757  16.272  -6.720
  192   1H6     A  18          1H6         A  18  -2.834  16.085  -1.272
  193   2H6     A  18          2H6         A  18  -2.678  16.432  -2.979
  194    H2     A  18           H2         A  18  -7.085  14.825  -0.615
  195   1H5*    U  19          1H5*        U  19 -12.478  18.711  -5.163
  196   2H5*    U  19          2H5*        U  19 -12.319  20.426  -5.590
  197    H4*    U  19           H4*        U  19 -12.596  19.862  -3.075
  198    H3*    U  19           H3*        U  19 -10.518  21.624  -4.394
  199    H2*    U  19           H2*        U  19  -9.374  21.974  -2.415
  200   2HO*    U  19          2HO*        U  19 -10.351  22.067  -0.483
  201    H1*    U  19           H1*        U  19  -9.873  19.533  -1.145
  202    H3     U  19           H3         U  19  -5.399  19.418  -1.360
  203    H5     U  19           H5         U  19  -6.524  19.777  -5.407
  204    H6     U  19           H6         U  19  -8.835  19.915  -4.684
  205   1H5*    A  20          1H5*        A  20 -10.265  26.257  -3.203
  206   2H5*    A  20          2H5*        A  20  -9.490  24.713  -3.613
  207    H4*    A  20           H4*        A  20  -9.903  25.393  -0.698
  208    H3*    A  20           H3*        A  20  -8.312  26.980  -2.614
  209    H2*    A  20           H2*        A  20  -6.259  26.200  -2.041
  210   2HO*    A  20          2HO*        A  20  -6.258  26.027   0.598
  211    H1*    A  20           H1*        A  20  -7.073  24.349   0.101
  212    H8     A  20           H8         A  20  -6.951  23.051  -3.466
  213   1H6     A  20          1H6         A  20  -1.027  21.627  -2.342
  214   2H6     A  20          2H6         A  20  -2.361  21.442  -3.458
  215    H2     A  20           H2         A  20  -2.529  24.129   1.054
  216   1H5*    C  21          1H5*        C  21  -6.498  30.836   1.195
  217   2H5*    C  21          2H5*        C  21  -5.904  29.583   0.086
  218    H4*    C  21           H4*        C  21  -6.563  28.975   2.996
  219    H3*    C  21           H3*        C  21  -4.286  30.446   1.791
  220    H2*    C  21           H2*        C  21  -2.637  28.958   2.313
  221   2HO*    C  21          2HO*        C  21  -4.214  28.499   4.630
  222    H1*    C  21           H1*        C  21  -4.144  26.609   2.876
  223   1H4     C  21          1H4         C  21   0.069  25.710  -1.881
  224   2H4     C  21          2H4         C  21  -1.262  25.896  -3.003
  225    H5     C  21           H5         C  21  -3.475  26.579  -2.325
  226    H6     C  21           H6         C  21  -4.882  27.232  -0.425
  227   1H5*    A  22          1H5*        A  22  -1.893  33.414   2.842
  228   2H5*    A  22          2H5*        A  22  -2.886  32.237   1.961
  229    H4*    A  22           H4*        A  22  -0.799  31.181   3.862
  230    H3*    A  22           H3*        A  22  -0.289  32.777   1.347
  231    H2*    A  22           H2*        A  22   0.969  31.146   0.330
  232   2HO*    A  22          2HO*        A  22   1.604  29.449   2.328
  233    H1*    A  22           H1*        A  22  -0.046  28.841   1.598
  234    H8     A  22           H8         A  22  -3.074  29.726   0.054
  235   1H6     A  22          1H6         A  22  -0.590  29.301  -5.600
  236   2H6     A  22          2H6         A  22  -2.079  29.386  -4.685
  237    H2     A  22           H2         A  22   2.753  29.451  -2.619
  238   1H5*    C  23          1H5*        C  23   1.640  33.206   0.212
  239   2H5*    C  23          2H5*        C  23   2.872  32.142   0.916
  240    H4*    C  23           H4*        C  23   4.656  33.596  -0.084
  241    H3*    C  23           H3*        C  23   2.233  35.225  -0.705
  242    H2*    C  23           H2*        C  23   2.536  35.333  -2.960
  243   2HO*    C  23          2HO*        C  23   4.329  36.216  -3.610
  244    H1*    C  23           H1*        C  23   4.474  33.255  -3.348
  245   1H4     C  23          1H4         C  23  -0.437  32.051  -7.195
  246   2H4     C  23          2H4         C  23  -1.474  31.725  -5.824
  247    H5     C  23           H5         C  23  -0.766  31.983  -3.541
  248    H6     C  23           H6         C  23   1.094  32.611  -2.071
  249   1H5*    U  24          1H5*        U  24   6.933  36.224  -2.589
  250   2H5*    U  24          2H5*        U  24   6.029  35.570  -1.208
  251    H4*    U  24           H4*        U  24   8.559  37.226  -1.215
  252    H3*    U  24           H3*        U  24   7.933  34.530  -0.729
  253    H2*    U  24           H2*        U  24   6.829  34.734   1.298
  254   2HO*    U  24          2HO*        U  24   8.552  35.034   3.048
  255    H1*    U  24           H1*        U  24   8.356  37.135   2.219
  256    H3     U  24           H3         U  24   5.408  37.887   5.481
  257    H5     U  24           H5         U  24   2.990  36.249   2.440
  258    H6     U  24           H6         U  24   4.978  36.043   1.061
  259   1H5*    A  25          1H5*        A  25  11.109  32.839  -2.577
  260   2H5*    A  25          2H5*        A  25   9.856  34.065  -2.861
  261    H4*    A  25           H4*        A  25   9.818  31.549  -3.973
  262    H3*    A  25           H3*        A  25   8.204  33.782  -3.971
  263    H2*    A  25           H2*        A  25   6.786  33.301  -2.200
  264   2HO*    A  25          2HO*        A  25   5.734  32.590  -4.476
  265    H1*    A  25           H1*        A  25   6.794  30.342  -2.586
  266    H8     A  25           H8         A  25   8.384  32.598   0.172
  267   1H6     A  25          1H6         A  25   3.973  30.281   3.836
  268   2H6     A  25          2H6         A  25   5.395  31.298   3.757
  269    H2     A  25           H2         A  25   3.272  28.753  -0.318
  270   1H5*    U  26          1H5*        U  26   8.735  28.867  -2.817
  271   2H5*    U  26          2H5*        U  26   9.021  28.326  -4.486
  272    H4*    U  26           H4*        U  26   7.341  27.094  -2.530
  273    H3*    U  26           H3*        U  26   8.662  26.275  -4.775
  274    H2*    U  26           H2*        U  26   7.337  27.219  -6.437
  275   2HO*    U  26          2HO*        U  26   7.051  24.905  -6.573
  276    H1*    U  26           H1*        U  26   4.704  26.846  -5.122
  277    H3     U  26           H3         U  26   4.891  29.332  -9.209
  278    H5     U  26           H5         U  26   4.844  31.930  -5.889
  279    H6     U  26           H6         U  26   5.282  30.015  -4.467
  280   1H5*    U  27          1H5*        U  27   9.578  24.546  -1.189
  281   2H5*    U  27          2H5*        U  27   8.708  23.510  -0.041
  282    H4*    U  27           H4*        U  27   8.755  26.200   0.210
  283    H3*    U  27           H3*        U  27   6.753  24.061   0.908
  284    H2*    U  27           H2*        U  27   5.000  25.521   1.179
  285   2HO*    U  27          2HO*        U  27   5.388  27.028   2.585
  286    H1*    U  27           H1*        U  27   5.898  27.704  -0.396
  287    H3     U  27           H3         U  27   1.502  25.940  -0.796
  288    H5     U  27           H5         U  27   3.860  24.663  -4.048
  289    H6     U  27           H6         U  27   5.819  25.460  -2.856
  290   1H5*    U  28          1H5*        U  28   6.013  21.661   3.683
  291   2H5*    U  28          2H5*        U  28   5.808  22.759   2.302
  292    H4*    U  28           H4*        U  28   4.759  23.741   4.929
  293    H3*    U  28           H3*        U  28   3.815  21.230   3.523
  294    H2*    U  28           H2*        U  28   1.597  21.892   3.551
  295   2HO*    U  28          2HO*        U  28   1.796  24.089   5.210
  296    H1*    U  28           H1*        U  28   1.926  24.650   3.317
  297    H3     U  28           H3         U  28  -0.614  22.837  -0.077
  298    H5     U  28           H5         U  28   3.402  22.348  -1.257
  299    H6     U  28           H6         U  28   4.073  23.082   0.956
  300   1H5*    A  29          1H5*        A  29   1.341  22.011   6.313
  301   2H5*    A  29          2H5*        A  29   1.052  20.799   7.575
  302    H4*    A  29           H4*        A  29  -1.124  21.509   6.854
  303    H3*    A  29           H3*        A  29  -0.173  18.837   5.757
  304    H2*    A  29           H2*        A  29  -1.954  18.669   4.323
  305   2HO*    A  29          2HO*        A  29  -3.352  20.104   6.343
  306    H1*    A  29           H1*        A  29  -2.741  21.457   4.334
  307    H8     A  29           H8         A  29   0.506  20.376   2.581
  308   1H6     A  29          1H6         A  29  -3.006  19.441  -2.422
  309   2H6     A  29          2H6         A  29  -1.374  19.489  -1.796
  310    H2     A  29           H2         A  29  -5.717  20.384   1.023
  311   1H5*    U  30          1H5*        U  30  -4.371  19.138   7.776
  312   2H5*    U  30          2H5*        U  30  -4.837  17.523   8.344
  313    H4*    U  30           H4*        U  30  -6.606  18.803   6.975
  314    H3*    U  30           H3*        U  30  -5.598  16.008   6.616
  315    H2*    U  30           H2*        U  30  -6.550  15.692   4.557
  316   2HO*    U  30          2HO*        U  30  -8.452  17.750   5.049
  317    H1*    U  30           H1*        U  30  -6.845  18.385   3.702
  318    H3     U  30           H3         U  30  -4.968  16.241   0.201
  319    H5     U  30           H5         U  30  -1.949  16.196   3.141
  320    H6     U  30           H6         U  30  -3.543  17.162   4.697
  321   1H5*    C  31          1H5*        C  31  -7.662  12.306   8.099
  322   2H5*    C  31          2H5*        C  31  -6.516  13.356   7.242
  323    H4*    C  31           H4*        C  31  -9.244  12.678   6.073
  324    H3*    C  31           H3*        C  31  -6.736  11.041   6.284
  325    H2*    C  31           H2*        C  31  -6.483  10.722   4.032
  326   2HO*    C  31          2HO*        C  31  -8.238   9.710   3.370
  327    H1*    C  31           H1*        C  31  -7.985  12.916   3.022
  328   1H4     C  31          1H4         C  31  -1.959  13.585   1.097
  329   2H4     C  31          2H4         C  31  -1.439  13.929   2.731
  330    H5     C  31           H5         C  31  -2.919  13.859   4.631
  331    H6     C  31           H6         C  31  -5.218  13.435   5.374
  332   1H5*    A  32          1H5*        A  32  -6.739   6.732   4.585
  333   2H5*    A  32          2H5*        A  32  -6.015   8.338   4.813
  334    H4*    A  32           H4*        A  32  -7.538   7.747   2.266
  335    H3*    A  32           H3*        A  32  -4.912   6.597   3.182
  336    H2*    A  32           H2*        A  32  -3.682   7.426   1.451
  337   2HO*    A  32          2HO*        A  32  -5.277   7.877  -0.577
  338    H1*    A  32           H1*        A  32  -5.505   9.439   0.494
  339    H8     A  32           H8         A  32  -4.114  10.437   3.804
  340   1H6     A  32          1H6         A  32   1.071  12.114   0.872
  341   2H6     A  32          2H6         A  32   0.181  12.186   2.376
  342    H2     A  32           H2         A  32  -1.448   9.760  -1.990
  343   1H5*    A  33          1H5*        A  33  -6.138   5.914  -1.170
  344   2H5*    A  33          2H5*        A  33  -6.301   4.146  -1.195
  345    H4*    A  33           H4*        A  33  -5.456   4.861  -3.368
  346    H3*    A  33           H3*        A  33  -3.757   3.302  -1.463
  347    H2*    A  33           H2*        A  33  -1.749   3.695  -2.510
  348   2HO*    A  33          2HO*        A  33  -1.902   4.474  -4.852
  349    H1*    A  33           H1*        A  33  -2.201   6.154  -3.735
  350    H8     A  33           H8         A  33  -3.111   6.243  -0.051
  351   1H6     A  33          1H6         A  33   2.916   7.019   1.092
  352   2H6     A  33          2H6         A  33   1.306   7.025   1.777
  353    H2     A  33           H2         A  33   2.443   6.039  -3.257
  354   1H5*    U  34          1H5*        U  34  -3.396   1.547  -5.308
  355   2H5*    U  34          2H5*        U  34  -2.807  -0.124  -5.388
  356    H4*    U  34           H4*        U  34  -1.220   1.880  -6.114
  357    H3*    U  34           H3*        U  34  -0.695  -0.691  -4.640
  358    H2*    U  34           H2*        U  34   1.395  -0.081  -3.923
  359   2HO*    U  34          2HO*        U  34   1.871   2.040  -5.637
  360    H1*    U  34           H1*        U  34   1.166   2.736  -3.947
  361    H3     U  34           H3         U  34   2.880   0.964  -0.027
  362    H5     U  34           H5         U  34  -1.312   1.037   0.406
  363    H6     U  34           H6         U  34  -1.479   1.576  -1.955
  364   1H5*    G  35          1H5*        G  35   2.068  -2.360  -8.352
  365   2H5*    G  35          2H5*        G  35   1.389  -3.958  -7.979
  366    H4*    G  35           H4*        G  35   3.978  -3.587  -7.697
  367    H3*    G  35           H3*        G  35   1.972  -5.034  -5.989
  368    H2*    G  35           H2*        G  35   3.274  -5.140  -4.113
  369   2HO*    G  35          2HO*        G  35   5.591  -5.236  -4.278
  370    H1*    G  35           H1*        G  35   5.099  -3.027  -4.592
  371    H8     G  35           H8         G  35   1.239  -2.634  -4.248
  372    H1     G  35           H1         G  35   4.629  -1.750   1.125
  373   1H2     G  35          1H2         G  35   6.754  -2.194   0.762
  374   2H2     G  35          2H2         G  35   7.356  -2.705  -0.799
  375   1H5*    G  36          1H5*        G  36   2.646  -9.465  -5.509
  376   2H5*    G  36          2H5*        G  36   1.614  -8.832  -4.212
  377    H4*    G  36           H4*        G  36   4.568  -8.155  -4.614
  378    H3*    G  36           H3*        G  36   3.256 -10.410  -3.403
  379    H2*    G  36           H2*        G  36   3.003  -9.828  -1.225
  380   2HO*    G  36          2HO*        G  36   5.181  -8.382  -0.647
  381    H1*    G  36           H1*        G  36   3.812  -7.138  -1.060
  382    H8     G  36           H8         G  36   0.843  -6.950  -3.162
  383    H1     G  36           H1         G  36  -0.699  -9.005   2.714
  384   1H2     G  36          1H2         G  36   1.110  -9.594   3.817
  385   2H2     G  36          2H2         G  36   2.712  -9.493   3.121
  386   1H5*    A  37          1H5*        A  37   6.046 -10.526  -0.384
  387   2H5*    A  37          2H5*        A  37   7.104 -11.880  -0.826
  388    H4*    A  37           H4*        A  37   6.285 -12.066   1.527
  389    H3*    A  37           H3*        A  37   6.400 -14.044  -0.457
  390    H2*    A  37           H2*        A  37   4.173 -14.409  -0.896
  391   2HO*    A  37          2HO*        A  37   4.886 -16.098   0.715
  392    H1*    A  37           H1*        A  37   3.042 -13.537   1.691
  393    H8     A  37           H8         A  37   3.349 -12.213  -1.989
  394   1H6     A  37          1H6         A  37  -2.836 -12.255  -1.905
  395   2H6     A  37          2H6         A  37  -1.409 -11.889  -2.849
  396    H2     A  37           H2         A  37  -1.381 -13.772   2.055
  397   1H5*    U  38          1H5*        U  38   4.168 -16.047   4.298
  398   2H5*    U  38          2H5*        U  38   3.916 -16.576   2.621
  399    H4*    U  38           H4*        U  38   1.889 -15.024   4.302
  400    H3*    U  38           H3*        U  38   2.586 -17.813   4.269
  401    H2*    U  38           H2*        U  38   1.383 -18.536   2.463
  402   2HO*    U  38          2HO*        U  38  -0.969 -17.542   3.685
  403    H1*    U  38           H1*        U  38  -0.455 -16.221   2.239
  404    H3     U  38           H3         U  38  -1.136 -18.524  -1.626
  405    H5     U  38           H5         U  38   2.763 -16.953  -1.959
  406    H6     U  38           H6         U  38   2.613 -16.268   0.366
  407   1H5*    G  39          1H5*        G  39  -0.674 -20.598   6.472
  408   2H5*    G  39          2H5*        G  39  -0.887 -19.999   4.816
  409    H4*    G  39           H4*        G  39  -3.021 -19.653   6.969
  410    H3*    G  39           H3*        G  39  -2.212 -22.039   5.355
  411    H2*    G  39           H2*        G  39  -4.202 -22.326   4.245
  412   2HO*    G  39          2HO*        G  39  -5.186 -21.648   6.667
  413    H1*    G  39           H1*        G  39  -5.218 -19.743   4.171
  414    H8     G  39           H8         G  39  -2.089 -18.968   2.657
  415    H1     G  39           H1         G  39  -5.034 -23.440  -0.869
  416   1H2     G  39          1H2         G  39  -6.675 -24.356   0.274
  417   2H2     G  39          2H2         G  39  -7.058 -23.884   1.914
  418   1H5*    U  40          1H5*        U  40  -4.510 -24.761   8.234
  419   2H5*    U  40          2H5*        U  40  -3.520 -26.199   7.926
  420    H4*    U  40           H4*        U  40  -5.981 -25.942   6.880
  421    H3*    U  40           H3*        U  40  -3.443 -27.254   5.916
  422    H2*    U  40           H2*        U  40  -4.217 -27.568   3.774
  423   2HO*    U  40          2HO*        U  40  -6.832 -27.394   4.902
  424    H1*    U  40           H1*        U  40  -5.997 -25.413   3.546
  425    H3     U  40           H3         U  40  -2.833 -25.494   0.191
  426    H5     U  40           H5         U  40  -1.078 -23.429   3.419
  427    H6     U  40           H6         U  40  -2.954 -24.118   4.795
  428   1H5*    C  41          1H5*        C  41  -5.193 -31.746   6.897
  429   2H5*    C  41          2H5*        C  41  -3.494 -32.257   6.809
  430    H4*    C  41           H4*        C  41  -5.355 -32.992   4.960
  431    H3*    C  41           H3*        C  41  -2.357 -32.581   4.896
  432    H2*    C  41           H2*        C  41  -2.256 -32.734   2.589
  433   2HO*    C  41          2HO*        C  41  -3.395 -34.633   2.288
  434    H1*    C  41           H1*        C  41  -4.657 -31.531   1.918
  435   1H4     C  41          1H4         C  41   0.263 -27.563   0.928
  436   2H4     C  41          2H4         C  41   0.130 -26.985   2.574
  437    H5     C  41           H5         C  41  -1.404 -27.932   4.184
  438    H6     C  41           H6         C  41  -3.122 -29.645   4.558
  439   1H5*    U  42          1H5*        U  42  -2.430 -36.360   2.880
  440   2H5*    U  42          2H5*        U  42  -0.718 -36.797   2.756
  441    H4*    U  42           H4*        U  42  -2.161 -35.538   0.764
  442    H3*    U  42           H3*        U  42   0.776 -35.827   1.432
  443    H2*    U  42           H2*        U  42   1.405 -34.141   0.014
  444   2HO*    U  42          2HO*        U  42  -0.385 -33.636  -1.738
  445    H1*    U  42           H1*        U  42  -1.070 -32.721  -0.147
  446    H3     U  42           H3         U  42   2.637 -29.989   0.374
  447    H5     U  42           H5         U  42   1.340 -31.067   4.237
  448    H6     U  42           H6         U  42  -0.130 -32.705   3.212
  449   1H5*    C  43          1H5*        C  43   2.988 -38.966   0.922
  450   2H5*    C  43          2H5*        C  43   2.404 -37.302   1.136
  451    H4*    C  43           H4*        C  43   4.122 -37.948  -1.266
  452    H3*    C  43           H3*        C  43   4.901 -38.038   1.621
  453    H2*    C  43           H2*        C  43   6.347 -36.302   1.586
  454   2HO*    C  43          2HO*        C  43   7.114 -37.561  -0.770
  455    H1*    C  43           H1*        C  43   5.687 -35.161  -0.991
  456   1H4     C  43          1H4         C  43   5.395 -30.321   3.110
  457   2H4     C  43          2H4         C  43   4.208 -31.157   4.088
  458    H5     C  43           H5         C  43   3.434 -33.384   3.608
  459    H6     C  43           H6         C  43   3.631 -35.300   2.091
  460    H3T    C  43           H3T        C  43   6.022 -38.842  -0.870
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  15.124 -21.112  -0.112
    2   2H5*    G   1          2H5*        G   1  13.520 -20.393  -0.362
    3    H4*    G   1           H4*        G   1  14.375 -22.742  -1.535
    4    H3*    G   1           H3*        G   1  11.745 -21.424  -0.978
    5    H2*    G   1           H2*        G   1  10.531 -23.339  -0.850
    6   2HO*    G   1          2HO*        G   1  11.901 -23.764  -3.198
    7    H1*    G   1           H1*        G   1  12.728 -25.263  -0.901
    8    H8     G   1           H8         G   1  11.828 -23.420   2.333
    9    H1     G   1           H1         G   1   8.476 -28.792   1.314
   10   1H2     G   1          1H2         G   1   8.873 -29.562  -0.713
   11   2H2     G   1          2H2         G   1   9.954 -28.759  -1.827
   12    H5T    G   1           H5T        G   1  16.033 -23.187   3.046
   13   1H5*    A   2          1H5*        A   2  11.343 -23.504  -5.977
   14   2H5*    A   2          2H5*        A   2  10.110 -22.240  -6.137
   15    H4*    A   2           H4*        A   2   9.392 -24.598  -6.850
   16    H3*    A   2           H3*        A   2   7.968 -22.760  -4.919
   17    H2*    A   2           H2*        A   2   6.522 -24.368  -4.180
   18   2HO*    A   2          2HO*        A   2   6.604 -25.076  -6.870
   19    H1*    A   2           H1*        A   2   7.967 -26.713  -5.005
   20    H8     A   2           H8         A   2   9.712 -24.831  -2.255
   21   1H6     A   2          1H6         A   2   5.830 -27.564   1.712
   22   2H6     A   2          2H6         A   2   7.279 -26.595   1.548
   23    H2     A   2           H2         A   2   4.370 -28.377  -2.449
   24   1H5*    G   3          1H5*        G   3   5.084 -24.088  -9.075
   25   2H5*    G   3          2H5*        G   3   3.560 -23.364  -8.524
   26    H4*    G   3           H4*        G   3   3.741 -25.969  -9.250
   27    H3*    G   3           H3*        G   3   1.977 -24.419  -7.370
   28    H2*    G   3           H2*        G   3   1.220 -26.258  -6.192
   29   2HO*    G   3          2HO*        G   3   0.574 -27.870  -7.378
   30    H1*    G   3           H1*        G   3   3.429 -27.888  -6.223
   31    H8     G   3           H8         G   3   4.634 -24.405  -5.433
   32    H1     G   3           H1         G   3   1.538 -27.135  -0.523
   33   1H2     G   3          1H2         G   3   0.538 -28.978  -1.181
   34   2H2     G   3          2H2         G   3   0.621 -29.559  -2.829
   35   1H5*    A   4          1H5*        A   4  -2.079 -25.704  -9.853
   36   2H5*    A   4          2H5*        A   4  -2.673 -24.093  -9.400
   37    H4*    A   4           H4*        A   4  -3.843 -26.328  -8.475
   38    H3*    A   4           H3*        A   4  -3.435 -23.573  -7.348
   39    H2*    A   4           H2*        A   4  -3.945 -24.157  -5.179
   40   2HO*    A   4          2HO*        A   4  -5.768 -25.186  -5.001
   41    H1*    A   4           H1*        A   4  -3.131 -26.821  -5.126
   42    H8     A   4           H8         A   4  -0.312 -24.684  -6.448
   43   1H6     A   4          1H6         A   4   0.776 -23.004  -0.590
   44   2H6     A   4          2H6         A   4   1.374 -22.965  -2.234
   45    H2     A   4           H2         A   4  -3.108 -25.234  -0.699
   46   1H5*    C   5          1H5*        C   5  -8.403 -24.615  -6.486
   47   2H5*    C   5          2H5*        C   5  -8.734 -22.871  -6.501
   48    H4*    C   5           H4*        C   5  -9.469 -24.332  -4.411
   49    H3*    C   5           H3*        C   5  -8.385 -21.543  -4.679
   50    H2*    C   5           H2*        C   5  -7.778 -21.287  -2.476
   51   2HO*    C   5          2HO*        C   5  -8.760 -22.583  -0.803
   52    H1*    C   5           H1*        C   5  -7.167 -23.885  -1.738
   53   1H4     C   5          1H4         C   5  -1.596 -20.923  -2.470
   54   2H4     C   5          2H4         C   5  -1.859 -20.745  -4.189
   55    H5     C   5           H5         C   5  -3.880 -21.458  -5.296
   56    H6     C   5           H6         C   5  -6.082 -22.491  -4.989
   57   1H5*    U   6          1H5*        U   6 -12.672 -21.843  -2.242
   58   2H5*    U   6          2H5*        U   6 -13.093 -20.188  -1.761
   59    H4*    U   6           H4*        U   6 -13.004 -22.060   0.087
   60    H3*    U   6           H3*        U   6 -12.145 -19.200   0.065
   61    H2*    U   6           H2*        U   6 -10.717 -19.321   1.839
   62   2HO*    U   6          2HO*        U   6 -11.745 -19.950   3.566
   63    H1*    U   6           H1*        U   6 -10.079 -22.060   1.927
   64    H3     U   6           H3         U   6  -5.980 -20.246   1.821
   65    H5     U   6           H5         U   6  -7.752 -18.788  -1.715
   66    H6     U   6           H6         U   6  -9.811 -19.890  -1.056
   67   1H5*    A   7          1H5*        A   7 -13.611 -16.071   2.292
   68   2H5*    A   7          2H5*        A   7 -12.170 -15.867   1.275
   69    H4*    A   7           H4*        A   7 -12.455 -17.867   3.566
   70    H3*    A   7           H3*        A   7 -11.619 -15.038   3.373
   71    H2*    A   7           H2*        A   7  -9.419 -15.282   3.921
   72   2HO*    A   7          2HO*        A   7  -8.724 -16.812   5.441
   73    H1*    A   7           H1*        A   7  -8.899 -17.973   3.355
   74    H8     A   7           H8         A   7  -9.871 -16.884   0.055
   75   1H6     A   7          1H6         A   7  -4.849 -13.280  -0.242
   76   2H6     A   7          2H6         A   7  -6.147 -14.021  -1.153
   77    H2     A   7           H2         A   7  -5.429 -14.515   4.029
   78   1H5*    U   8          1H5*        U   8  -8.997 -14.967   6.149
   79   2H5*    U   8          2H5*        U   8  -9.975 -14.505   7.557
   80    H4*    U   8           H4*        U   8  -7.932 -13.047   7.213
   81    H3*    U   8           H3*        U   8 -10.635 -12.357   7.838
   82    H2*    U   8           H2*        U   8 -11.119 -10.905   6.139
   83   2HO*    U   8          2HO*        U   8  -9.280  -9.023   6.404
   84    H1*    U   8           H1*        U   8  -8.344 -10.325   5.269
   85    H3     U   8           H3         U   8 -10.794  -8.604   1.859
   86    H5     U   8           H5         U   8 -11.510 -12.757   1.699
   87    H6     U   8           H6         U   8 -10.323 -12.974   3.803
   88   1H5*    C   9          1H5*        C   9  -5.587 -11.372   9.741
   89   2H5*    C   9          2H5*        C   9  -6.314 -11.019   8.159
   90    H4*    C   9           H4*        C   9  -4.383 -13.330   8.658
   91    H3*    C   9           H3*        C   9  -3.914 -10.467   8.415
   92    H2*    C   9           H2*        C   9  -3.502 -10.315   6.178
   93   2HO*    C   9          2HO*        C   9  -1.409 -11.488   7.189
   94    H1*    C   9           H1*        C   9  -3.459 -13.198   5.541
   95   1H4     C   9          1H4         C   9  -5.809  -9.829   0.580
   96   2H4     C   9          2H4         C   9  -7.380 -10.394   1.099
   97    H5     C   9           H5         C   9  -7.744 -11.570   3.164
   98    H6     C   9           H6         C   9  -6.684 -12.461   5.183
   99   1H5*    G  10          1H5*        G  10  -0.288  -9.826   7.582
  100   2H5*    G  10          2H5*        G  10   0.491  -9.724   9.174
  101    H4*    G  10           H4*        G  10   0.929  -7.573   8.440
  102    H3*    G  10           H3*        G  10  -1.371  -7.802  10.157
  103    H2*    G  10           H2*        G  10  -2.955  -6.786   8.864
  104   2HO*    G  10          2HO*        G  10  -1.906  -4.980  10.154
  105    H1*    G  10           H1*        G  10  -1.105  -5.427   6.977
  106    H8     G  10           H8         G  10  -2.152  -8.058   4.968
  107    H1     G  10           H1         G  10  -7.343  -4.567   6.383
  108   1H2     G  10          1H2         G  10  -6.938  -3.277   8.125
  109   2H2     G  10          2H2         G  10  -5.393  -3.263   8.944
  110   1H5*    A  11          1H5*        A  11   3.636  -4.952  11.120
  111   2H5*    A  11          2H5*        A  11   2.059  -4.516  10.432
  112    H4*    A  11           H4*        A  11   4.258  -5.943   8.869
  113    H3*    A  11           H3*        A  11   3.945  -3.115   9.626
  114    H2*    A  11           H2*        A  11   3.113  -2.320   7.671
  115   2HO*    A  11          2HO*        A  11   5.400  -3.686   6.756
  116    H1*    A  11           H1*        A  11   3.119  -4.792   6.091
  117    H8     A  11           H8         A  11   0.716  -2.695   8.379
  118   1H6     A  11          1H6         A  11  -2.753  -2.243   3.274
  119   2H6     A  11          2H6         A  11  -2.607  -1.791   4.958
  120    H2     A  11           H2         A  11   0.848  -4.723   2.298
  121   1H5*    C  12          1H5*        C  12   7.144  -0.516   7.673
  122   2H5*    C  12          2H5*        C  12   5.835  -1.686   7.406
  123    H4*    C  12           H4*        C  12   8.454  -2.216   6.029
  124    H3*    C  12           H3*        C  12   6.764   0.233   5.615
  125    H2*    C  12           H2*        C  12   6.327  -0.164   3.401
  126   2HO*    C  12          2HO*        C  12   8.201  -1.995   2.703
  127    H1*    C  12           H1*        C  12   6.644  -2.956   3.250
  128   1H4     C  12          1H4         C  12   0.490  -1.826   2.216
  129   2H4     C  12          2H4         C  12   0.303  -1.101   3.798
  130    H5     C  12           H5         C  12   2.129  -0.813   5.342
  131    H6     C  12           H6         C  12   4.528  -1.157   5.701
  132   1H5*    A  13          1H5*        A  13  10.006   0.433   2.702
  133   2H5*    A  13          2H5*        A  13  10.457   2.122   2.398
  134    H4*    A  13           H4*        A  13   9.611   0.836   0.355
  135    H3*    A  13           H3*        A  13   8.731   3.483   1.415
  136    H2*    A  13           H2*        A  13   6.694   3.522   0.407
  137   2HO*    A  13          2HO*        A  13   6.576   2.539  -1.825
  138    H1*    A  13           H1*        A  13   6.588   0.791  -0.588
  139    H8     A  13           H8         A  13   5.985   2.145   3.019
  140   1H6     A  13          1H6         A  13  -0.018   1.552   1.670
  141   2H6     A  13          2H6         A  13   1.149   1.960   2.908
  142    H2     A  13           H2         A  13   2.338   0.517  -2.002
  143   1H5*    U  14          1H5*        U  14   9.311   3.010  -3.144
  144   2H5*    U  14          2H5*        U  14   9.907   4.529  -3.840
  145    H4*    U  14           H4*        U  14   8.044   3.466  -5.180
  146    H3*    U  14           H3*        U  14   8.097   6.227  -4.035
  147    H2*    U  14           H2*        U  14   5.860   6.621  -4.149
  148   2HO*    U  14          2HO*        U  14   5.978   5.061  -6.533
  149    H1*    U  14           H1*        U  14   4.888   3.944  -4.611
  150    H3     U  14           H3         U  14   1.830   5.760  -1.832
  151    H5     U  14           H5         U  14   5.344   5.629   0.492
  152    H6     U  14           H6         U  14   6.543   4.883  -1.484
  153   1H5*    U  15          1H5*        U  15   6.077   9.353  -7.682
  154   2H5*    U  15          2H5*        U  15   6.473   9.092  -5.971
  155    H4*    U  15           H4*        U  15   4.076   7.772  -7.309
  156    H3*    U  15           H3*        U  15   4.481  10.588  -6.714
  157    H2*    U  15           H2*        U  15   3.728  10.632  -4.564
  158   2HO*    U  15          2HO*        U  15   1.711  11.117  -4.940
  159    H1*    U  15           H1*        U  15   2.463   7.950  -4.508
  160    H3     U  15           H3         U  15   2.565   8.812  -0.085
  161    H5     U  15           H5         U  15   6.607   9.096  -1.247
  162    H6     U  15           H6         U  15   5.897   8.810  -3.549
  163   1H5*    U  16          1H5*        U  16   1.352   7.822 -11.377
  164   2H5*    U  16          2H5*        U  16   1.607   9.571 -11.210
  165    H4*    U  16           H4*        U  16  -0.755   9.355 -11.285
  166    H3*    U  16           H3*        U  16   0.545   9.977  -8.737
  167    H2*    U  16           H2*        U  16  -0.774   8.880  -7.249
  168   2HO*    U  16          2HO*        U  16  -2.933   9.619  -8.962
  169    H1*    U  16           H1*        U  16  -2.387   7.198  -8.824
  170    H3     U  16           H3         U  16  -0.905   3.816  -6.348
  171    H5     U  16           H5         U  16   2.596   6.081  -6.955
  172    H6     U  16           H6         U  16   1.280   7.639  -8.276
  173   1H5*    G  17          1H5*        G  17  -2.778  12.289 -10.481
  174   2H5*    G  17          2H5*        G  17  -3.302  13.962 -10.200
  175    H4*    G  17           H4*        G  17  -4.904  12.065  -9.428
  176    H3*    G  17           H3*        G  17  -3.984  14.538  -7.989
  177    H2*    G  17           H2*        G  17  -4.650  13.870  -5.908
  178   2HO*    G  17          2HO*        G  17  -6.582  12.107  -7.028
  179    H1*    G  17           H1*        G  17  -4.810  11.053  -6.271
  180    H8     G  17           H8         G  17  -1.263  11.998  -6.726
  181    H1     G  17           H1         G  17  -3.122  12.554  -0.612
  182   1H2     G  17          1H2         G  17  -5.320  12.468  -0.477
  183   2H2     G  17          2H2         G  17  -6.341  12.271  -1.884
  184   1H5*    A  18          1H5*        A  18  -8.703  15.255  -9.076
  185   2H5*    A  18          2H5*        A  18  -8.912  17.014  -8.957
  186    H4*    A  18           H4*        A  18 -10.351  15.622  -7.355
  187    H3*    A  18           H3*        A  18  -8.530  17.929  -6.717
  188    H2*    A  18           H2*        A  18  -8.575  17.636  -4.436
  189   2HO*    A  18          2HO*        A  18 -10.342  16.408  -3.445
  190    H1*    A  18           H1*        A  18  -8.975  14.887  -4.245
  191    H8     A  18           H8         A  18  -6.175  16.431  -6.469
  192   1H6     A  18          1H6         A  18  -2.557  15.746  -1.499
  193   2H6     A  18          2H6         A  18  -2.619  16.226  -3.181
  194    H2     A  18           H2         A  18  -6.721  14.532  -0.368
  195   1H5*    U  19          1H5*        U  19 -12.462  19.303  -4.199
  196   2H5*    U  19          2H5*        U  19 -12.124  21.026  -4.450
  197    H4*    U  19           H4*        U  19 -12.259  20.161  -1.994
  198    H3*    U  19           H3*        U  19 -10.161  21.922  -3.283
  199    H2*    U  19           H2*        U  19  -8.828  21.923  -1.396
  200   2HO*    U  19          2HO*        U  19  -9.732  21.343   0.692
  201    H1*    U  19           H1*        U  19  -9.457  19.391  -0.371
  202    H3     U  19           H3         U  19  -5.005  19.109  -0.915
  203    H5     U  19           H5         U  19  -6.414  19.728  -4.840
  204    H6     U  19           H6         U  19  -8.650  19.960  -3.929
  205   1H5*    A  20          1H5*        A  20  -8.730  25.555  -3.394
  206   2H5*    A  20          2H5*        A  20  -8.581  23.822  -3.044
  207    H4*    A  20           H4*        A  20  -9.247  25.471  -0.667
  208    H3*    A  20           H3*        A  20  -6.972  26.312  -2.403
  209    H2*    A  20           H2*        A  20  -5.357  25.966  -0.807
  210   2HO*    A  20          2HO*        A  20  -7.367  26.078   1.213
  211    H1*    A  20           H1*        A  20  -6.440  23.949   0.756
  212    H8     A  20           H8         A  20  -6.522  22.958  -2.905
  213   1H6     A  20          1H6         A  20  -0.576  21.362  -2.218
  214   2H6     A  20          2H6         A  20  -1.968  21.288  -3.273
  215    H2     A  20           H2         A  20  -1.854  23.593   1.449
  216   1H5*    C  21          1H5*        C  21  -4.889  30.304   0.660
  217   2H5*    C  21          2H5*        C  21  -4.657  29.135  -0.656
  218    H4*    C  21           H4*        C  21  -5.229  28.164   2.158
  219    H3*    C  21           H3*        C  21  -2.794  29.541   1.126
  220    H2*    C  21           H2*        C  21  -1.342  27.796   1.389
  221   2HO*    C  21          2HO*        C  21  -1.238  26.823   3.263
  222    H1*    C  21           H1*        C  21  -3.114  25.588   1.490
  223   1H4     C  21          1H4         C  21   0.894  25.200  -3.496
  224   2H4     C  21          2H4         C  21  -0.389  25.831  -4.505
  225    H5     C  21           H5         C  21  -2.478  26.654  -3.621
  226    H6     C  21           H6         C  21  -3.781  27.048  -1.580
  227   1H5*    A  22          1H5*        A  22  -1.540  32.971   2.075
  228   2H5*    A  22          2H5*        A  22  -1.517  32.044   0.561
  229    H4*    A  22           H4*        A  22  -0.683  30.952   3.290
  230    H3*    A  22           H3*        A  22   0.707  32.549   1.244
  231    H2*    A  22           H2*        A  22   2.153  30.990   0.423
  232   2HO*    A  22          2HO*        A  22   2.273  29.195   2.486
  233    H1*    A  22           H1*        A  22   1.003  28.552   1.156
  234    H8     A  22           H8         A  22  -1.700  29.803  -0.848
  235   1H6     A  22          1H6         A  22   1.879  29.668  -5.897
  236   2H6     A  22          2H6         A  22   0.241  29.804  -5.298
  237    H2     A  22           H2         A  22   4.524  29.250  -2.305
  238   1H5*    C  23          1H5*        C  23   4.272  30.904   1.214
  239   2H5*    C  23          2H5*        C  23   5.131  31.940   2.371
  240    H4*    C  23           H4*        C  23   6.435  32.415   0.532
  241    H3*    C  23           H3*        C  23   4.041  34.223   0.589
  242    H2*    C  23           H2*        C  23   4.111  34.808  -1.622
  243   2HO*    C  23          2HO*        C  23   6.685  34.160  -2.290
  244    H1*    C  23           H1*        C  23   5.575  32.665  -2.734
  245   1H4     C  23          1H4         C  23  -0.172  32.125  -5.331
  246   2H4     C  23          2H4         C  23  -0.962  32.354  -3.787
  247    H5     C  23           H5         C  23   0.236  32.711  -1.731
  248    H6     C  23           H6         C  23   2.453  32.926  -0.708
  249   1H5*    U  24          1H5*        U  24   8.497  36.005  -1.278
  250   2H5*    U  24          2H5*        U  24   7.967  34.902   0.011
  251    H4*    U  24           H4*        U  24  10.337  36.772  -0.046
  252    H3*    U  24           H3*        U  24  10.032  34.012  -0.193
  253    H2*    U  24           H2*        U  24   9.153  33.588   1.921
  254   2HO*    U  24          2HO*        U  24  11.426  32.819   1.854
  255    H1*    U  24           H1*        U  24  10.683  35.722   3.336
  256    H3     U  24           H3         U  24   8.033  35.375   6.909
  257    H5     U  24           H5         U  24   5.396  34.493   3.740
  258    H6     U  24           H6         U  24   7.249  34.797   2.200
  259   1H5*    A  25          1H5*        A  25  10.980  32.015  -0.040
  260   2H5*    A  25          2H5*        A  25  12.455  31.580  -0.929
  261    H4*    A  25           H4*        A  25  11.257  30.675  -2.722
  262    H3*    A  25           H3*        A  25   9.856  33.079  -2.520
  263    H2*    A  25           H2*        A  25   8.253  32.512  -0.941
  264   2HO*    A  25          2HO*        A  25   7.296  32.350  -3.315
  265    H1*    A  25           H1*        A  25   8.011  29.655  -1.783
  266    H8     A  25           H8         A  25   9.473  31.377   1.406
  267   1H6     A  25          1H6         A  25   4.616  28.874   4.304
  268   2H6     A  25          2H6         A  25   6.090  29.797   4.495
  269    H2     A  25           H2         A  25   4.240  27.976  -0.071
  270   1H5*    U  26          1H5*        U  26   9.789  28.038  -2.060
  271   2H5*    U  26          2H5*        U  26  10.315  27.780  -3.737
  272    H4*    U  26           H4*        U  26   8.368  26.281  -2.326
  273    H3*    U  26           H3*        U  26   9.895  25.906  -4.555
  274    H2*    U  26           H2*        U  26   8.761  27.223  -6.100
  275   2HO*    U  26          2HO*        U  26   7.350  24.771  -5.944
  276    H1*    U  26           H1*        U  26   6.004  26.713  -5.128
  277    H3     U  26           H3         U  26   6.623  29.958  -8.586
  278    H5     U  26           H5         U  26   6.379  31.837  -4.819
  279    H6     U  26           H6         U  26   6.626  29.657  -3.788
  280   1H5*    U  27          1H5*        U  27  10.275  22.280  -1.123
  281   2H5*    U  27          2H5*        U  27   8.636  22.420  -1.786
  282    H4*    U  27           H4*        U  27  10.162  24.612  -0.305
  283    H3*    U  27           H3*        U  27   8.225  22.476   0.449
  284    H2*    U  27           H2*        U  27   6.558  23.852   1.169
  285   2HO*    U  27          2HO*        U  27   7.036  25.089   2.801
  286    H1*    U  27           H1*        U  27   7.515  26.386   0.157
  287    H3     U  27           H3         U  27   2.868  25.601   0.252
  288    H5     U  27           H5         U  27   4.338  24.631  -3.579
  289    H6     U  27           H6         U  27   6.587  24.785  -2.680
  290   1H5*    U  28          1H5*        U  28   7.045  21.191   3.744
  291   2H5*    U  28          2H5*        U  28   6.437  21.835   2.204
  292    H4*    U  28           H4*        U  28   5.604  23.004   4.892
  293    H3*    U  28           H3*        U  28   4.650  20.566   3.361
  294    H2*    U  28           H2*        U  28   2.418  21.161   3.551
  295   2HO*    U  28          2HO*        U  28   3.054  23.082   5.556
  296    H1*    U  28           H1*        U  28   2.683  23.940   3.501
  297    H3     U  28           H3         U  28  -0.027  22.397   0.121
  298    H5     U  28           H5         U  28   3.918  21.917  -1.285
  299    H6     U  28           H6         U  28   4.710  22.506   0.932
  300   1H5*    A  29          1H5*        A  29   2.322  21.147   6.363
  301   2H5*    A  29          2H5*        A  29   2.108  19.844   7.547
  302    H4*    A  29           H4*        A  29  -0.104  20.620   7.034
  303    H3*    A  29           H3*        A  29   0.729  18.027   5.688
  304    H2*    A  29           H2*        A  29  -1.150  17.981   4.375
  305   2HO*    A  29          2HO*        A  29  -2.726  19.640   5.986
  306    H1*    A  29           H1*        A  29  -1.892  20.769   4.639
  307    H8     A  29           H8         A  29   1.205  19.768   2.590
  308   1H6     A  29          1H6         A  29  -2.663  19.261  -2.209
  309   2H6     A  29          2H6         A  29  -0.991  19.232  -1.696
  310    H2     A  29           H2         A  29  -5.107  19.999   1.476
  311   1H5*    U  30          1H5*        U  30  -3.398  18.137   7.994
  312   2H5*    U  30          2H5*        U  30  -3.750  16.455   8.437
  313    H4*    U  30           H4*        U  30  -5.654  17.766   7.285
  314    H3*    U  30           H3*        U  30  -4.544  15.061   6.628
  315    H2*    U  30           H2*        U  30  -5.613  14.868   4.611
  316   2HO*    U  30          2HO*        U  30  -7.657  15.881   4.243
  317    H1*    U  30           H1*        U  30  -6.113  17.618   4.047
  318    H3     U  30           H3         U  30  -4.459  15.967   0.190
  319    H5     U  30           H5         U  30  -1.213  15.691   2.864
  320    H6     U  30           H6         U  30  -2.700  16.420   4.641
  321   1H5*    C  31          1H5*        C  31  -4.889  11.565   8.338
  322   2H5*    C  31          2H5*        C  31  -3.701  12.128   7.147
  323    H4*    C  31           H4*        C  31  -6.732  12.048   6.786
  324    H3*    C  31           H3*        C  31  -4.409  10.316   6.059
  325    H2*    C  31           H2*        C  31  -4.808  10.283   3.806
  326   2HO*    C  31          2HO*        C  31  -6.840  10.167   2.972
  327    H1*    C  31           H1*        C  31  -6.346  12.638   3.479
  328   1H4     C  31          1H4         C  31  -0.910  13.243   0.217
  329   2H4     C  31          2H4         C  31  -0.024  13.519   1.700
  330    H5     C  31           H5         C  31  -1.033  13.385   3.884
  331    H6     C  31           H6         C  31  -3.108  12.953   5.116
  332   1H5*    A  32          1H5*        A  32  -5.606   6.392   3.752
  333   2H5*    A  32          2H5*        A  32  -4.370   7.407   2.980
  334    H4*    A  32           H4*        A  32  -7.378   7.939   2.943
  335    H3*    A  32           H3*        A  32  -5.491   6.395   1.216
  336    H2*    A  32           H2*        A  32  -5.797   7.597  -0.714
  337   2HO*    A  32          2HO*        A  32  -8.200   8.815   0.069
  338    H1*    A  32           H1*        A  32  -6.554  10.098   0.232
  339    H8     A  32           H8         A  32  -3.497  10.083   1.996
  340   1H6     A  32          1H6         A  32  -0.260   9.689  -3.265
  341   2H6     A  32          2H6         A  32  -0.189  10.052  -1.555
  342    H2     A  32           H2         A  32  -4.517   8.621  -4.166
  343   1H5*    A  33          1H5*        A  33  -7.796   6.884  -1.825
  344   2H5*    A  33          2H5*        A  33  -8.688   5.360  -1.996
  345    H4*    A  33           H4*        A  33  -7.784   5.787  -4.168
  346    H3*    A  33           H3*        A  33  -6.498   3.670  -2.469
  347    H2*    A  33           H2*        A  33  -4.512   3.520  -3.627
  348   2HO*    A  33          2HO*        A  33  -4.578   3.378  -5.722
  349    H1*    A  33           H1*        A  33  -4.202   6.068  -4.628
  350    H8     A  33           H8         A  33  -5.208   5.613  -0.910
  351   1H6     A  33          1H6         A  33   0.869   5.611   0.234
  352   2H6     A  33          2H6         A  33  -0.731   5.585   0.941
  353    H2     A  33           H2         A  33   0.293   5.720  -4.211
  354   1H5*    U  34          1H5*        U  34  -6.338   1.445  -6.192
  355   2H5*    U  34          2H5*        U  34  -5.875  -0.191  -5.683
  356    H4*    U  34           H4*        U  34  -4.106   1.766  -6.549
  357    H3*    U  34           H3*        U  34  -3.851  -0.805  -4.947
  358    H2*    U  34           H2*        U  34  -1.763  -0.274  -4.168
  359   2HO*    U  34          2HO*        U  34  -0.867  -0.102  -6.268
  360    H1*    U  34           H1*        U  34  -1.863   2.568  -4.466
  361    H3     U  34           H3         U  34  -0.064   0.997  -0.466
  362    H5     U  34           H5         U  34  -4.211   1.483   0.120
  363    H6     U  34           H6         U  34  -4.444   1.800  -2.277
  364   1H5*    G  35          1H5*        G  35  -1.677  -3.245  -8.625
  365   2H5*    G  35          2H5*        G  35  -2.347  -4.688  -7.838
  366    H4*    G  35           H4*        G  35   0.309  -4.206  -7.912
  367    H3*    G  35           H3*        G  35  -1.522  -5.548  -5.921
  368    H2*    G  35           H2*        G  35  -0.031  -5.501  -4.182
  369   2HO*    G  35          2HO*        G  35   2.278  -5.191  -5.738
  370    H1*    G  35           H1*        G  35   1.692  -3.412  -5.067
  371    H8     G  35           H8         G  35  -2.022  -2.711  -4.296
  372    H1     G  35           H1         G  35   1.926  -2.287   0.741
  373   1H2     G  35          1H2         G  35   3.941  -2.985   0.187
  374   2H2     G  35          2H2         G  35   4.329  -3.555  -1.420
  375   1H5*    G  36          1H5*        G  36   1.727  -9.430  -6.490
  376   2H5*    G  36          2H5*        G  36   0.577  -8.226  -5.876
  377    H4*    G  36           H4*        G  36   3.314  -8.353  -4.608
  378    H3*    G  36           H3*        G  36   1.267 -10.540  -4.598
  379    H2*    G  36           H2*        G  36   0.889 -10.535  -2.344
  380   2HO*    G  36          2HO*        G  36   2.549 -10.053  -0.855
  381    H1*    G  36           H1*        G  36   1.787  -7.945  -1.626
  382    H8     G  36           H8         G  36  -1.047  -7.496  -3.958
  383    H1     G  36           H1         G  36  -2.987  -9.860   1.678
  384   1H2     G  36          1H2         G  36  -1.260 -10.536   2.860
  385   2H2     G  36          2H2         G  36   0.384 -10.417   2.275
  386   1H5*    A  37          1H5*        A  37   1.400 -14.280  -3.514
  387   2H5*    A  37          2H5*        A  37   1.230 -12.512  -3.461
  388    H4*    A  37           H4*        A  37   2.727 -12.624  -1.337
  389    H3*    A  37           H3*        A  37   2.933 -15.323  -2.113
  390    H2*    A  37           H2*        A  37   0.880 -16.141  -1.472
  391   2HO*    A  37          2HO*        A  37   0.994 -15.984   1.145
  392    H1*    A  37           H1*        A  37   0.288 -14.200   0.684
  393    H8     A  37           H8         A  37  -1.349 -13.646  -2.673
  394   1H6     A  37          1H6         A  37  -6.007 -17.153  -0.610
  395   2H6     A  37          2H6         A  37  -5.473 -16.060  -1.868
  396    H2     A  37           H2         A  37  -2.592 -17.545   2.267
  397   1H5*    U  38          1H5*        U  38   2.652 -15.484   1.789
  398   2H5*    U  38          2H5*        U  38   4.116 -15.422   2.792
  399    H4*    U  38           H4*        U  38   2.286 -16.717   3.897
  400    H3*    U  38           H3*        U  38   4.976 -17.370   3.707
  401    H2*    U  38           H2*        U  38   4.990 -19.017   2.098
  402   2HO*    U  38          2HO*        U  38   5.159 -20.141   4.201
  403    H1*    U  38           H1*        U  38   2.295 -20.129   2.487
  404    H3     U  38           H3         U  38   3.709 -21.877  -1.468
  405    H5     U  38           H5         U  38   3.073 -17.783  -2.248
  406    H6     U  38           H6         U  38   2.759 -17.446   0.136
  407   1H5*    G  39          1H5*        G  39   1.981 -19.638   7.209
  408   2H5*    G  39          2H5*        G  39   1.621 -19.391   5.490
  409    H4*    G  39           H4*        G  39  -0.276 -18.872   7.830
  410    H3*    G  39           H3*        G  39   0.244 -21.137   5.949
  411    H2*    G  39           H2*        G  39  -1.840 -21.235   4.992
  412   2HO*    G  39          2HO*        G  39  -3.646 -20.091   6.273
  413    H1*    G  39           H1*        G  39  -2.742 -18.626   5.212
  414    H8     G  39           H8         G  39   0.310 -17.810   3.571
  415    H1     G  39           H1         G  39  -3.002 -21.863  -0.135
  416   1H2     G  39          1H2         G  39  -4.599 -22.829   1.029
  417   2H2     G  39          2H2         G  39  -4.861 -22.496   2.726
  418   1H5*    U  40          1H5*        U  40  -2.115 -23.900   8.654
  419   2H5*    U  40          2H5*        U  40  -1.220 -25.383   8.271
  420    H4*    U  40           H4*        U  40  -3.669 -24.993   7.299
  421    H3*    U  40           H3*        U  40  -1.196 -26.282   6.165
  422    H2*    U  40           H2*        U  40  -2.019 -26.406   4.024
  423   2HO*    U  40          2HO*        U  40  -4.128 -26.762   3.573
  424    H1*    U  40           H1*        U  40  -3.776 -24.218   4.010
  425    H3     U  40           H3         U  40  -0.745 -24.024   0.554
  426    H5     U  40           H5         U  40   1.202 -22.354   3.899
  427    H6     U  40           H6         U  40  -0.646 -23.123   5.275
  428   1H5*    C  41          1H5*        C  41  -3.427 -30.670   6.392
  429   2H5*    C  41          2H5*        C  41  -1.798 -31.371   6.478
  430    H4*    C  41           H4*        C  41  -3.400 -31.867   4.390
  431    H3*    C  41           H3*        C  41  -0.418 -31.448   4.624
  432    H2*    C  41           H2*        C  41  -0.107 -31.414   2.336
  433   2HO*    C  41          2HO*        C  41  -1.086 -33.225   1.633
  434    H1*    C  41           H1*        C  41  -2.509 -30.239   1.545
  435   1H4     C  41          1H4         C  41   2.275 -26.059   0.937
  436   2H4     C  41          2H4         C  41   2.202 -25.694   2.646
  437    H5     C  41           H5         C  41   0.739 -26.851   4.181
  438    H6     C  41           H6         C  41  -0.956 -28.614   4.404
  439   1H5*    U  42          1H5*        U  42  -0.059 -35.357   2.560
  440   2H5*    U  42          2H5*        U  42   1.690 -35.598   2.709
  441    H4*    U  42           H4*        U  42   0.447 -34.612   0.456
  442    H3*    U  42           H3*        U  42   3.244 -34.518   1.583
  443    H2*    U  42           H2*        U  42   3.900 -32.797   0.228
  444   2HO*    U  42          2HO*        U  42   2.619 -34.291  -1.577
  445    H1*    U  42           H1*        U  42   1.340 -31.706  -0.438
  446    H3     U  42           H3         U  42   4.222 -28.285   0.498
  447    H5     U  42           H5         U  42   3.061 -29.833   4.245
  448    H6     U  42           H6         U  42   2.000 -31.678   3.075
  449   1H5*    C  43          1H5*        C  43   5.875 -37.435   1.867
  450   2H5*    C  43          2H5*        C  43   5.853 -35.890   2.743
  451    H4*    C  43           H4*        C  43   6.103 -36.296  -0.269
  452    H3*    C  43           H3*        C  43   7.910 -35.768   1.998
  453    H2*    C  43           H2*        C  43   8.620 -33.711   1.398
  454   2HO*    C  43          2HO*        C  43   8.326 -34.136  -1.368
  455    H1*    C  43           H1*        C  43   6.765 -33.058  -0.705
  456   1H4     C  43          1H4         C  43   6.918 -28.337   3.607
  457   2H4     C  43          2H4         C  43   5.724 -29.196   4.557
  458    H5     C  43           H5         C  43   4.959 -31.415   4.023
  459    H6     C  43           H6         C  43   5.172 -33.296   2.465
  460    H3T    C  43           H3T        C  43   9.352 -36.288   0.146