*HEADER    RNA                                     27-JUL-01   1JO7              
*TITLE     SOLUTION STRUCTURE OF INFLUENZA A VIRUS PROMOTER                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INFLUENZA A VIRUS PROMOTER RNA;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: T7 IN VITRO TRANSCRIPTION                             
*KEYWDS    RNA PANHANDLE, AAU AC MISMATCH, BENDING, INTERNAL LOOP, UUCG          
*EXPDTA    NMR, 32 STRUCTURES                                                    
*AUTHOR    S.-H.BAE, H.-K.CHEONG, J.-H.LEE, C.CHEONG, M.KAINOSHO, B.-            
*AUTHOR   2 S.CHOI                                                               
*REVDAT   1   19-SEP-01 1JO7    0                                                

  set echo=off message=off end

!-i- intra-residue NOEs

!-i- base-H1' ( 28 )

 assign (residue  2 and name H8   ) (residue  2 and name H1'  )  5.0  1.5  1.0
 assign (residue  4 and name H8   ) (residue  4 and name H1'  )  5.0  1.5  1.0
 assign (residue  5 and name H8   ) (residue  5 and name H1'  )  5.0  1.5  1.0
 assign (residue  6 and name H8   ) (residue  6 and name H1'  )  5.0  1.5  1.0
 assign (residue  7 and name H8   ) (residue  7 and name H1'  )  5.0  1.5  1.0
 assign (residue  8 and name H8   ) (residue  8 and name H1'  )  5.0  1.5  1.0
 assign (residue  9 and name H6   ) (residue  9 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H8   ) (residue 10 and name H1'  )  5.0  1.5  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H1'  )  5.0  1.5  1.0
 assign (residue 12 and name H8   ) (residue 12 and name H1'  )  5.0  1.5  1.0
 assign (residue 13 and name H8   ) (residue 13 and name H1'  )  3.5  1.0  1.0
 assign (residue 14 and name H6   ) (residue 14 and name H1'  )  3.5  1.0  1.0
 assign (residue 15 and name H6   ) (residue 15 and name H1'  )  3.5  1.0  1.0
 assign (residue 16 and name H6   ) (residue 16 and name H1'  )  3.5  1.0  1.0
 assign (residue 17 and name H6   ) (residue 17 and name H1'  )  3.5  1.0  1.0
 assign (residue 18 and name H8   ) (residue 18 and name H1'  )  3.5  1.0  1.0
 assign (residue 19 and name H8   ) (residue 19 and name H1'  )  3.5  1.0  1.0
 assign (residue 20 and name H6   ) (residue 20 and name H1'  )  3.5  1.0  1.0
 assign (residue 20 and name H5   ) (residue 20 and name H1'  )  5.0  1.5  1.0
 assign (residue 22 and name H6   ) (residue 22 and name H1'  )  3.5  1.0  1.0
 assign (residue 23 and name H8   ) (residue 23 and name H1'  )  5.0  1.5  1.0
 assign (residue 24 and name H6   ) (residue 24 and name H1'  )  5.0  1.5  1.0
 assign (residue 25 and name H6   ) (residue 25 and name H1'  )  5.0  1.5  1.0
 assign (residue 26 and name H6   ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue 27 and name H6   ) (residue 27 and name H1'  )  5.0  1.5  1.0
 assign (residue 29 and name H8   ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 30 and name H1'  )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 31 and name H1'  )  3.5  1.0  1.0

!-i- base-H2' ( 26 )

 assign (residue  2 and name H8   ) (residue  2 and name H2'  )  5.0  1.5  1.0
 assign (residue  3 and name H6   ) (residue  3 and name H2'  )  5.0  1.5  1.0
 assign (residue  4 and name H8   ) (residue  4 and name H2'  )  3.5  1.0  1.0
 assign (residue  5 and name H8   ) (residue  5 and name H2'  )  5.0  1.5  1.0
 assign (residue  6 and name H8   ) (residue  6 and name H2'  )  3.5  1.0  1.0
 assign (residue  7 and name H8   ) (residue  7 and name H2'  )  5.0  1.5  1.0
 assign (residue  9 and name H6   ) (residue  9 and name H2'  )  5.0  1.5  1.0
 assign (residue 10 and name H8   ) (residue 10 and name H2'  )  3.5  1.0  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H2'  )  3.5  1.0  1.0
 assign (residue 12 and name H8   ) (residue 12 and name H2'  )  5.0  1.5  1.0
 assign (residue 15 and name H6   ) (residue 15 and name H2'  )  5.0  1.5  1.0
 assign (residue 16 and name H6   ) (residue 16 and name H2'  )  2.6  0.8  0.8
!assign (residue 16 and name H5   ) (residue 16 and name H2'  )  3.5  1.0  1.0
 assign (residue 17 and name H6   ) (residue 17 and name H2'  )  2.6  0.8  0.8
 assign (residue 18 and name H8   ) (residue 18 and name H2'  )  5.0  1.5  1.0
 assign (residue 20 and name H6   ) (residue 20 and name H2'  )  3.5  1.0  1.0
 assign (residue 21 and name H6   ) (residue 21 and name H2'  )  3.0  1.0  1.0
 assign (residue 22 and name H6   ) (residue 22 and name H2'  )  5.0  1.5  1.0
 assign (residue 24 and name H6   ) (residue 24 and name H2'  )  5.0  1.5  1.0
 assign (residue 25 and name H6   ) (residue 25 and name H2'  )  3.5  1.0  1.0
 assign (residue 26 and name H6   ) (residue 26 and name H2'  )  3.5  1.0  1.0
 assign (residue 27 and name H6   ) (residue 27 and name H2'  )  3.5  1.0  1.0
 assign (residue 28 and name H6   ) (residue 28 and name H2'  )  3.5  1.0  1.0
 assign (residue 29 and name H8   ) (residue 29 and name H2'  )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 30 and name H2'  )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 31 and name H2'  )  3.5  1.0  1.0

!-i- base-H3' ( 20 )

 assign (residue  2 and name H8   ) (residue  2 and name H3'  )  5.0  1.5  1.0
 assign (residue  3 and name H6   ) (residue  3 and name H3'  )  3.5  1.0  1.0
 assign (residue  7 and name H8   ) (residue  7 and name H3'  )  5.0  1.5  1.0
 assign (residue  9 and name H6   ) (residue  9 and name H3'  )  3.5  1.0  1.0
 assign (residue 10 and name H8   ) (residue 10 and name H3'  )  5.0  1.5  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H3'  )  5.0  1.5  1.0
 assign (residue 12 and name H8   ) (residue 12 and name H3'  )  3.5  1.0  1.0
 assign (residue 13 and name H8   ) (residue 13 and name H3'  )  2.6  0.8  0.8
 assign (residue 14 and name H6   ) (residue 14 and name H3'  )  3.5  1.0  1.0
 assign (residue 16 and name H6   ) (residue 16 and name H3'  )  3.5  1.0  1.0
 assign (residue 19 and name H8   ) (residue 19 and name H3'  )  3.5  1.0  1.0
 assign (residue 20 and name H6   ) (residue 20 and name H3'  )  3.5  1.0  1.0
 assign (residue 22 and name H6   ) (residue 22 and name H3'  )  3.5  1.0  1.0
 assign (residue 26 and name H6   ) (residue 26 and name H3'  )  3.5  1.0  1.0
 assign (residue 27 and name H6   ) (residue 27 and name H3'  )  3.5  1.0  1.0
 assign (residue 28 and name H6   ) (residue 28 and name H3'  )  3.5  1.0  1.0
 assign (residue 29 and name H8   ) (residue 29 and name H3'  )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 30 and name H3'  )  3.5  1.0  1.0
 assign (residue 31 and name H6   ) (residue 31 and name H3'  )  2.6  0.8  0.8

!-i- base-H4' ( 14 )

 assign (residue  4 and name H8   ) (residue  4 and name H4'  )  5.0  1.5  1.0
 assign (residue  5 and name H8   ) (residue  5 and name H4'  )  5.0  1.5  1.0
 assign (residue  9 and name H6   ) (residue  9 and name H4'  )  5.0  1.5  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H4'  )  5.0  1.5  1.0
 assign (residue 12 and name H8   ) (residue 12 and name H4'  )  5.0  1.5  1.0
 assign (residue 16 and name H6   ) (residue 16 and name H4'  )  5.0  1.5  1.0
 assign (residue 22 and name H6   ) (residue 22 and name H4'  )  5.0  1.5  1.0
 assign (residue 26 and name H6   ) (residue 26 and name H4'  )  3.5  1.0  1.0
 assign (residue 27 and name H6   ) (residue 27 and name H4'  )  5.0  1.5  1.0
 assign (residue 28 and name H6   ) (residue 28 and name H4'  )  3.5  1.0  1.0
 assign (residue 29 and name H8   ) (residue 29 and name H4'  )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 30 and name H4'  )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 31 and name H4'  )  3.5  1.0  1.0

!-i- base-H5' ( 14 )

 assign (residue  1 and name H8   ) (residue  1 and name H5'  )  5.0  1.5  1.0
 assign (residue  2 and name H8   ) (residue  2 and name H5'  )  5.0  1.5  1.0
 assign (residue  5 and name H8   ) (residue  5 and name H5'  )  3.5  1.0  1.0
 assign (residue  5 and name H8   ) (residue  5 and name H5'' )  3.5  1.0  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H5'  )  3.5  1.0  1.0
 assign (residue 11 and name H8   ) (residue 11 and name H5'' )  3.5  1.0  1.0
 assign (residue 12 and name H8   ) (residue 12 and name H5'  )  3.5  1.0  1.0
 assign (residue 13 and name H8   ) (residue 13 and name H5'  )  3.5  1.0  1.0
 assign (residue 14 and name H6   ) (residue 14 and name H5'  )  3.5  1.0  1.0
 assign (residue 16 and name H6   ) (residue 16 and name H5'' )  5.0  1.5  1.0
 assign (residue 17 and name H5'' ) (residue 17 and name H6   )  3.5  1.0  1.0
 assign (residue 17 and name H6   ) (residue 17 and name H5'  )  3.5  1.0  1.0
 assign (residue 30 and name H6   ) (residue 30 and name H5'  )  3.5  1.0  1.0
 assign (residue 31 and name H6   ) (residue 31 and name H5'  )  3.5  1.0  1.0

!-i- H6-H5 ( 16 )

 assign (residue  9 and name H6   ) (residue  9 and name H5   )  2.6  0.8  0.8
 assign (residue 14 and name H6   ) (residue 14 and name H5   )  2.6  0.8  0.8
 assign (residue 15 and name H6   ) (residue 15 and name H5   )  2.6  0.8  0.8
 assign (residue 16 and name H6   ) (residue 16 and name H5   )  2.6  0.8  0.8
 assign (residue 17 and name H6   ) (residue 17 and name H5   )  2.6  0.8  0.8
 assign (residue 20 and name H6   ) (residue 20 and name H5   )  2.6  0.8  0.8
 assign (residue 21 and name H6   ) (residue 21 and name H5   )  2.6  0.8  0.8
 assign (residue 22 and name H6   ) (residue 22 and name H5   )  2.6  0.8  0.8
 assign (residue 24 and name H6   ) (residue 24 and name H5   )  2.6  0.8  0.8
 assign (residue 25 and name H6   ) (residue 25 and name H5   )  2.6  0.8  0.8
 assign (residue 26 and name H6   ) (residue 26 and name H5   )  2.6  0.8  0.8
 assign (residue 27 and name H6   ) (residue 27 and name H5   )  2.6  0.8  0.8
 assign (residue 28 and name H6   ) (residue 28 and name H5   )  2.6  0.8  0.8
 assign (residue 30 and name H6   ) (residue 30 and name H5   )  2.6  0.8  0.8
 assign (residue 31 and name H6   ) (residue 31 and name H5   )  2.6  0.8  0.8

!-i- H1'-H2' ( 28 )

 assign (residue  2 and name H2'  ) (residue  2 and name H1'  )  2.6  0.8  0.8
 assign (residue  3 and name H2'  ) (residue  3 and name H1'  )  2.6  0.8  0.8
 assign (residue  4 and name H2'  ) (residue  4 and name H1'  )  2.6  0.8  0.8
 assign (residue  5 and name H2'  ) (residue  5 and name H1'  )  2.6  0.8  0.8
 assign (residue  6 and name H2'  ) (residue  6 and name H1'  )  2.6  0.8  0.8
 assign (residue  7 and name H2'  ) (residue  7 and name H1'  )  2.6  0.8  0.8
!assign (residue  8 and name H2'  ) (residue  8 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H2'  ) (residue 10 and name H1'  )  2.6  0.8  0.8
 assign (residue 11 and name H2'  ) (residue 11 and name H1'  )  2.6  0.8  0.8
 assign (residue 12 and name H2'  ) (residue 12 and name H1'  )  2.6  0.8  0.8
 assign (residue 13 and name H2'  ) (residue 13 and name H1'  )  2.6  0.8  0.8
 assign (residue 14 and name H2'  ) (residue 14 and name H1'  )  2.6  0.8  0.8
 assign (residue 15 and name H2'  ) (residue 15 and name H1'  )  2.6  0.8  0.8
 assign (residue 16 and name H2'  ) (residue 16 and name H1'  )  3.5  1.0  1.0
 assign (residue 17 and name H2'  ) (residue 17 and name H1'  )  2.6  0.8  0.8
 assign (residue 18 and name H2'  ) (residue 18 and name H1'  )  2.6  0.8  0.8
 assign (residue 20 and name H2'  ) (residue 20 and name H1'  )  2.6  0.8  0.8
 assign (residue 21 and name H2'  ) (residue 21 and name H1'  )  2.6  0.8  0.8
 assign (residue 22 and name H2'  ) (residue 22 and name H1'  )  2.6  0.8  0.8
 assign (residue 23 and name H2'  ) (residue 23 and name H1'  )  3.5  1.0  1.0
!assign (residue 24 and name H2'  ) (residue 24 and name H1'  )  5.0  1.5  1.0
 assign (residue 25 and name H2'  ) (residue 25 and name H1'  )  2.6  0.8  0.8
 assign (residue 26 and name H2'  ) (residue 26 and name H1'  )  2.6  0.8  0.8
!assign (residue 27 and name H2'  ) (residue 27 and name H1'  )  5.0  1.5  1.0
 assign (residue 28 and name H2'  ) (residue 28 and name H1'  )  2.6  0.8  0.8
 assign (residue 29 and name H2'  ) (residue 29 and name H1'  )  2.6  0.8  0.8
 assign (residue 30 and name H2'  ) (residue 30 and name H1'  )  2.6  0.8  0.8
 assign (residue 31 and name H2'  ) (residue 31 and name H1'  )  2.6  0.8  0.8

!-i- H1'-H3' ( 25 )

 assign (residue  2 and name H3'  ) (residue  2 and name H1'  )  3.5  1.0  1.0
 assign (residue  3 and name H3'  ) (residue  3 and name H1'  )  3.5  1.0  1.0
 assign (residue  4 and name H3'  ) (residue  4 and name H1'  )  3.5  1.0  1.0
 assign (residue  5 and name H3'  ) (residue  5 and name H1'  )  3.5  1.0  1.0
 assign (residue  6 and name H3'  ) (residue  6 and name H1'  )  5.0  1.5  1.0
 assign (residue  9 and name H3'  ) (residue  9 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H3'  ) (residue 10 and name H1'  )  5.0  1.5  1.0
 assign (residue 11 and name H3'  ) (residue 11 and name H1'  )  3.5  1.0  1.0
 assign (residue 12 and name H3'  ) (residue 12 and name H1'  )  5.0  1.5  1.0
 assign (residue 13 and name H3'  ) (residue 13 and name H1'  )  3.5  1.0  1.0
 assign (residue 14 and name H3'  ) (residue 14 and name H1'  )  3.5  1.0  1.0
 assign (residue 15 and name H3'  ) (residue 15 and name H1'  )  3.5  1.0  1.0
 assign (residue 16 and name H3'  ) (residue 16 and name H1'  )  5.0  1.5  1.0
 assign (residue 17 and name H3'  ) (residue 17 and name H1'  )  5.0  1.5  1.0
 assign (residue 18 and name H3'  ) (residue 18 and name H1'  )  3.5  1.0  1.0
 assign (residue 20 and name H3'  ) (residue 20 and name H1'  )  3.5  1.0  1.0
 assign (residue 22 and name H3'  ) (residue 22 and name H1'  )  5.0  1.5  1.0
 assign (residue 23 and name H3'  ) (residue 23 and name H1'  )  5.0  1.5  1.0
 assign (residue 24 and name H3'  ) (residue 24 and name H1'  )  5.0  1.5  1.0
 assign (residue 25 and name H3'  ) (residue 25 and name H1'  )  5.0  1.5  1.0
 assign (residue 26 and name H3'  ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue 27 and name H3'  ) (residue 27 and name H1'  )  5.0  1.5  1.0
 assign (residue 28 and name H3'  ) (residue 28 and name H1'  )  3.5  1.0  1.0
 assign (residue 29 and name H3'  ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 30 and name H3'  ) (residue 30 and name H1'  )  3.5  1.0  1.0
 assign (residue 31 and name H3'  ) (residue 31 and name H1'  )  3.5  1.0  1.0

!-i- H1'-H4' ( 16 )

 assign (residue  5 and name H4'  ) (residue  5 and name H1'  )  5.0  1.5  1.0
 assign (residue  9 and name H4'  ) (residue  9 and name H1'  )  3.5  1.0  1.0
 assign (residue 10 and name H4'  ) (residue 10 and name H1'  )  3.5  1.0  1.0
 assign (residue 11 and name H4'  ) (residue 11 and name H1'  )  5.0  1.5  1.0
 assign (residue 12 and name H4'  ) (residue 12 and name H1'  )  5.0  1.5  1.0
 assign (residue 15 and name H4'  ) (residue 15 and name H1'  )  3.5  1.0  1.0
 assign (residue 16 and name H4'  ) (residue 16 and name H1'  )  3.5  1.0  1.0
 assign (residue 17 and name H4'  ) (residue 17 and name H1'  )  3.5  1.0  1.0
 assign (residue 18 and name H4'  ) (residue 18 and name H1'  )  3.5  1.0  1.0
 assign (residue 22 and name H4'  ) (residue 22 and name H1'  )  5.0  1.5  1.0
 assign (residue 26 and name H4'  ) (residue 26 and name H1'  )  3.5  1.0  1.0
 assign (residue 27 and name H4'  ) (residue 27 and name H1'  )  3.5  1.0  1.0
 assign (residue 28 and name H4'  ) (residue 28 and name H1'  )  3.5  1.0  1.0
 assign (residue 29 and name H4'  ) (residue 29 and name H1'  )  3.5  1.0  1.0
 assign (residue 30 and name H4'  ) (residue 30 and name H1'  )  3.5  1.0  1.0
 assign (residue 31 and name H4'  ) (residue 31 and name H1'  )  3.5  1.0  1.0

!-i- H1'-H5' ( 9 )

 assign (residue  1 and name H5'' ) (residue  1 and name H1'  )  5.0  1.5  1.0
 assign (residue  2 and name H5'' ) (residue  2 and name H1'  )  5.0  1.5  1.0
 assign (residue  5 and name H5'  ) (residue  5 and name H1'  )  5.0  1.5  1.0
 assign (residue  5 and name H5'' ) (residue  5 and name H1'  )  5.0  1.5  1.0
 assign (residue 12 and name H5'  ) (residue 12 and name H1'  )  5.0  1.5  1.0
 assign (residue 18 and name H5'' ) (residue 18 and name H1'  )  5.0  1.5  1.0
 assign (residue 29 and name H5'  ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 29 and name H5'' ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 30 and name H5'  ) (residue 30 and name H1'  )  5.0  1.5  1.0
 assign (residue 31 and name H5'  ) (residue 31 and name H1'  )  5.0  1.5  1.0

!-i- others ( 43 )

 assign (residue  1 and name H4'  ) (residue  1 and name H2'  )  5.0  1.5  1.0
 assign (residue  1 and name H5'  ) (residue  1 and name H2'  )  5.0  1.5  1.0
 assign (residue  1 and name H5'' ) (residue  1 and name H2'  )  5.0  1.5  1.0
 assign (residue  1 and name H5'' ) (residue  1 and name H3'  )  3.5  1.0  1.0
 assign (residue  1 and name H5'' ) (residue  1 and name H4'  )  2.6  0.8  0.8
 assign (residue  3 and name H2'  ) (residue  3 and name H3'  )  2.6  0.8  0.8
 assign (residue  4 and name H2'  ) (residue  4 and name H3'  )  3.5  1.0  1.0
 assign (residue  4 and name H2'  ) (residue  4 and name H4'  )  5.0  1.5  1.0
 assign (residue  4 and name H4'  ) (residue  4 and name H2'  )  3.5  1.0  1.0
 assign (residue  6 and name H2   ) (residue  6 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H2   ) (residue 10 and name H1'  )  6.0  2.0  1.0
 assign (residue 11 and name H2   ) (residue 11 and name H1'  )  6.0  2.0  1.0
 assign (residue 11 and name H2'  ) (residue 11 and name H3'  )  2.6  0.8  0.8
 assign (residue 11 and name H2'  ) (residue 11 and name H4'  )  3.5  1.0  1.0
 assign (residue 14 and name H2'  ) (residue 14 and name H5   )  5.0  1.5  1.0
 assign (residue 14 and name H5   ) (residue 14 and name H1'  )  5.0  1.5  1.0
 assign (residue 14 and name H5'  ) (residue 14 and name H5   )  6.0  2.0  1.0
 assign (residue 15 and name H2'  ) (residue 15 and name H3'  )  2.6  0.8  0.8
 assign (residue 15 and name H3'  ) (residue 15 and name H5   )  3.5  1.0  1.0
 assign (residue 16 and name H3'  ) (residue 16 and name H2'  )  2.6  0.8  0.8
 assign (residue 16 and name H5   ) (residue 16 and name H1'  )  5.0  1.5  1.0
 assign (residue 17 and name H2'  ) (residue 17 and name H5   )  5.0  1.5  1.0
 assign (residue 17 and name H4'  ) (residue 17 and name H2'  )  5.0  1.5  1.0
 assign (residue 17 and name H4'  ) (residue 17 and name H3'  )  2.6  0.8  0.8
 assign (residue 17 and name H5'  ) (residue 17 and name H2'  )  5.0  1.5  1.0
 assign (residue 17 and name H5'  ) (residue 17 and name H3'  )  3.5  1.0  1.0
 assign (residue 17 and name H5'  ) (residue 17 and name H5   )  5.0  1.5  1.0
 assign (residue 17 and name H5'' ) (residue 17 and name H2'  )  5.0  1.5  1.0
 assign (residue 17 and name H5'' ) (residue 17 and name H3'  )  3.5  1.0  1.0
 assign (residue 17 and name H5'' ) (residue 17 and name H4'  )  2.6  0.8  0.8
 assign (residue 17 and name H5'' ) (residue 17 and name H5   )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 17 and name H5'  )  2.6  0.8  0.8
 assign (residue 18 and name H2'  ) (residue 18 and name H3'  )  2.6  0.8  0.8
 assign (residue 18 and name H4'  ) (residue 18 and name H3'  )  2.6  0.8  0.8
 assign (residue 18 and name H5'' ) (residue 18 and name H3'  )  3.5  1.0  1.0
 assign (residue 20 and name H5   ) (residue 20 and name H2'  )  5.0  1.5  1.0
 assign (residue 20 and name H5   ) (residue 20 and name H3'  )  5.0  1.5  1.0
 assign (residue 27 and name H2'  ) (residue 27 and name H5   )  5.0  1.5  1.0
 assign (residue 27 and name H3'  ) (residue 27 and name H5   )  3.5  1.0  1.0
 assign (residue 29 and name H2'  ) (residue 29 and name H3'  )  2.6  0.8  0.8
 assign (residue 30 and name H3'  ) (residue 30 and name H5   )  5.0  1.5  1.0
 assign (residue 30 and name H5   ) (residue 30 and name H1'  )  5.0  1.5  1.0
 assign (residue 31 and name H3'  ) (residue 31 and name H5   )  5.0  1.5  1.0
 assign (residue 31 and name H5   ) (residue 31 and name H1'  )  5.0  1.5  1.0

!-s- sequential NOEs

!-s- base-H1' ( 39 )

 assign (residue  2 and name H8   ) (residue  1 and name H1'  )  5.0  1.5  1.0
 assign (residue  2 and name H1'  ) (residue  3 and name H5   )  5.0  1.5  1.0
 assign (residue  3 and name H6   ) (residue  2 and name H1'  )  5.0  1.5  1.0
 assign (residue  4 and name H8   ) (residue  3 and name H1'  )  5.0  1.5  1.0
 assign (residue  4 and name H2   ) (residue  5 and name H1'  )  3.5  1.0  1.0
 assign (residue  5 and name H8   ) (residue  4 and name H1'  )  5.0  1.5  1.0
 assign (residue  6 and name H8   ) (residue  5 and name H1'  )  5.0  1.5  1.0
 assign (residue  6 and name H2   ) (residue  7 and name H1'  )  3.5  1.0  1.0
 assign (residue  7 and name H8   ) (residue  6 and name H1'  )  5.0  1.5  1.0
 assign (residue  8 and name H8   ) (residue  7 and name H1'  )  5.0  1.5  1.0
 assign (residue  8 and name H2   ) (residue  9 and name H1'  )  3.5  1.0  1.0
 assign (residue  9 and name H6   ) (residue  8 and name H1'  )  6.0  2.0  1.0
 assign (residue 10 and name H8   ) (residue  9 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H2   ) (residue 11 and name H1'  )  6.0  2.0  1.0
 assign (residue 11 and name H8   ) (residue 10 and name H1'  )  5.0  1.5  1.0
 assign (residue 11 and name H2   ) (residue 12 and name H1'  )  3.5  1.0  1.0
 assign (residue 12 and name H8   ) (residue 11 and name H1'  )  5.0  1.5  1.0
 assign (residue 13 and name H8   ) (residue 12 and name H1'  )  3.5  1.0  1.0
 assign (residue 14 and name H5   ) (residue 13 and name H1'  )  5.0  1.5  1.0
 assign (residue 14 and name H6   ) (residue 13 and name H1'  )  3.5  1.0  1.0
 assign (residue 15 and name H6   ) (residue 14 and name H1'  )  5.0  1.5  1.0
 assign (residue 16 and name H6   ) (residue 15 and name H1'  )  6.0  2.0  1.0 
 assign (residue 17 and name H6   ) (residue 16 and name H1'  )  6.0  2.0  1.0
 assign (residue 19 and name H8   ) (residue 18 and name H1'  )  6.0  2.0  1.0
!assign (residue 20 and name H6   ) (residue 19 and name H1'  )  5.0  1.5  1.0
 assign (residue 21 and name H6   ) (residue 20 and name H1'  )  3.5  1.0  1.0
 assign (residue 22 and name H6   ) (residue 21 and name H1'  )  5.0  1.5  1.0
!assign (residue 23 and name H8   ) (residue 22 and name H1'  )  5.0  1.5  1.0
 assign (residue 24 and name H6   ) (residue 23 and name H1'  )  5.0  1.5  1.0
 assign (residue 25 and name H1'  ) (residue 26 and name H5   )  5.0  1.5  1.0
 assign (residue 25 and name H6   ) (residue 24 and name H1'  )  5.0  1.5  1.0
 assign (residue 26 and name H6   ) (residue 25 and name H1'  )  3.5  1.0  1.0
 assign (residue 27 and name H6   ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue 27 and name H5   ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue 27 and name H1'  ) (residue 28 and name H5   )  5.0  1.5  1.0
 assign (residue 28 and name H6   ) (residue 27 and name H1'  )  5.0  1.5  1.0
 assign (residue 29 and name H8   ) (residue 28 and name H1'  )  5.0  1.5  1.0
 assign (residue 30 and name H5   ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 29 and name H1'  )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 30 and name H1'  )  5.0  1.5  1.0

!-s- base-H2' ( 30 )

 assign (residue  3 and name H6   ) (residue  2 and name H2'  )  2.6  0.8  0.8
 assign (residue  4 and name H8   ) (residue  3 and name H2'  )  2.6  0.8  0.8
 assign (residue  5 and name H8   ) (residue  4 and name H2'  )  3.5  1.0  1.0
 assign (residue  6 and name H8   ) (residue  5 and name H2'  )  2.6  0.8  0.8
 assign (residue  7 and name H8   ) (residue  6 and name H2'  )  2.6  0.8  0.8
 assign (residue  9 and name H6   ) (residue  8 and name H2'  )  2.6  0.8  0.8
 assign (residue 10 and name H8   ) (residue  9 and name H2'  )  2.6  0.8  0.8
 assign (residue 11 and name H8   ) (residue 10 and name H2'  )  3.5  1.0  1.0
 assign (residue 12 and name H8   ) (residue 11 and name H2'  )  2.6  0.8  0.8
 assign (residue 13 and name H8   ) (residue 12 and name H2'  )  2.6  0.8  0.8
 assign (residue 13 and name H2'  ) (residue 14 and name H5   )  3.5  1.0  1.0
 assign (residue 14 and name H6   ) (residue 13 and name H2'  )  2.6  0.8  0.8
 assign (residue 14 and name H2'  ) (residue 15 and name H5   )  3.5  1.0  1.0
 assign (residue 16 and name H6   ) (residue 15 and name H2'  )  5.0  1.5  1.0
 assign (residue 16 and name H2'  ) (residue 17 and name H5   )  3.5  1.0  1.0
 assign (residue 17 and name H6   ) (residue 16 and name H2'  )  3.5  1.0  1.0
 assign (residue 19 and name H8   ) (residue 18 and name H2'  )  5.0  1.5  1.0
 assign (residue 19 and name H2'  ) (residue 20 and name H5   )  3.5  1.0  1.0
 assign (residue 20 and name H6   ) (residue 19 and name H2'  )  2.6  0.8  0.8
 assign (residue 21 and name H6   ) (residue 20 and name H2'  )  2.6  0.8  0.8
 assign (residue 22 and name H6   ) (residue 21 and name H2'  )  2.6  0.8  0.8
 assign (residue 24 and name H6   ) (residue 23 and name H2'  )  3.5  1.0  1.0
 assign (residue 26 and name H6   ) (residue 25 and name H2'  )  2.6  0.8  0.8
 assign (residue 26 and name H2'  ) (residue 27 and name H5   )  3.5  1.0  1.0
 assign (residue 27 and name H6   ) (residue 26 and name H2'  )  2.6  0.8  0.8
 assign (residue 27 and name H2'  ) (residue 28 and name H5   )  3.5  1.0  1.0
 assign (residue 29 and name H8   ) (residue 28 and name H2'  )  3.5  1.0  1.0
 assign (residue 29 and name H2'  ) (residue 30 and name H5   )  3.5  1.0  1.0
 assign (residue 30 and name H6   ) (residue 29 and name H2'  )  2.6  0.8  0.8
 assign (residue 30 and name H2'  ) (residue 31 and name H5   )  3.5  1.0  1.0
 assign (residue 31 and name H6   ) (residue 30 and name H2'  )  2.6  0.8  0.8

!-s- base-H3' ( 21 )

 assign (residue  3 and name H6   ) (residue  2 and name H3'  )  3.5  1.0  1.0
 assign (residue  4 and name H8   ) (residue  3 and name H3'  )  3.5  1.0  1.0
 assign (residue  6 and name H8   ) (residue  5 and name H3'  )  3.5  1.0  1.0
 assign (residue 10 and name H8   ) (residue  9 and name H3'  )  3.5  1.0  1.0
 assign (residue 11 and name H8   ) (residue 10 and name H3'  )  3.5  1.0  1.0
 assign (residue 12 and name H8   ) (residue 11 and name H3'  )  3.5  1.0  1.0
 assign (residue 13 and name H8   ) (residue 12 and name H3'  )  3.5  1.0  1.0
 assign (residue 13 and name H3'  ) (residue 14 and name H5   )  5.0  1.5  1.0
 assign (residue 15 and name H6   ) (residue 14 and name H3'  )  3.5  1.0  1.0
 assign (residue 16 and name H6   ) (residue 15 and name H3'  )  6.0  2.0  1.0
 assign (residue 16 and name H3'  ) (residue 17 and name H5   )  2.6  0.8  0.8
 assign (residue 17 and name H6   ) (residue 16 and name H3'  )  2.6  0.8  0.8
 assign (residue 19 and name H8   ) (residue 18 and name H3'  )  3.5  1.0  1.0
 assign (residue 20 and name H6   ) (residue 19 and name H3'  )  3.5  1.0  1.0
 assign (residue 20 and name H5   ) (residue 19 and name H3'  )  3.5  1.0  1.0
 assign (residue 21 and name H6   ) (residue 20 and name H3'  )  3.5  1.0  1.0
 assign (residue 24 and name H6   ) (residue 23 and name H3'  )  5.0  1.5  1.0
 assign (residue 27 and name H6   ) (residue 26 and name H3'  )  3.5  1.0  1.0
 assign (residue 29 and name H8   ) (residue 28 and name H3'  )  3.5  1.0  1.0
 assign (residue 29 and name H3'  ) (residue 30 and name H5   )  3.5  1.0  1.0
 assign (residue 30 and name H6   ) (residue 29 and name H3'  )  3.5  1.0  1.0

!-s- base-H4' ( 2 )

 assign (residue 16 and name H4'  ) (residue 17 and name H5   )  3.5  1.0  1.0

!-s- H1'-H2' ( 15 )

 assign (residue  2 and name H2'  ) (residue  3 and name H1'  )  3.5  1.0  1.0
 assign (residue  3 and name H2'  ) (residue  4 and name H1'  )  5.0  1.5  1.0
 assign (residue  4 and name H2'  ) (residue  5 and name H1'  )  3.5  1.0  1.0
 assign (residue  5 and name H2'  ) (residue  6 and name H1'  )  5.0  1.5  1.0
 assign (residue  6 and name H2'  ) (residue  7 and name H1'  )  5.0  1.5  1.0
 assign (residue  9 and name H2'  ) (residue 10 and name H1'  )  5.0  1.5  1.0
 assign (residue 10 and name H2'  ) (residue 11 and name H1'  )  5.0  1.5  1.0
 assign (residue 11 and name H2'  ) (residue 12 and name H1'  )  5.0  1.5  1.0
 assign (residue 12 and name H2'  ) (residue 13 and name H1'  )  5.0  1.5  1.0
 assign (residue 18 and name H2'  ) (residue 19 and name H1'  )  2.6  0.8  0.8
!assign (residue 19 and name H2'  ) (residue 20 and name H1'  )  2.6  0.8  0.8
 assign (residue 20 and name H2'  ) (residue 21 and name H1'  )  3.5  1.0  1.0
!assign (residue 21 and name H2'  ) (residue 22 and name H1'  )  2.6  0.8  0.8
 assign (residue 26 and name H2'  ) (residue 27 and name H1'  )  5.0  1.5  1.0
 assign (residue 28 and name H2'  ) (residue 29 and name H1'  )  3.5  1.0  1.0
 assign (residue 29 and name H2'  ) (residue 30 and name H1'  )  3.5  1.0  1.0

!-s- H1'-others ( 15 )

 assign (residue  5 and name H1'  ) (residue  4 and name H1'  )  6.0  2.0  1.0
 assign (residue 11 and name H1'  ) (residue 12 and name H1'  )  6.0  2.0  1.0
 assign (residue 13 and name H1'  ) (residue 12 and name H1'  )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 18 and name H1'  )  5.0  1.5  1.0
 assign (residue 23 and name H1'  ) (residue 22 and name H1'  )  6.0  2.0  1.0
 assign (residue 25 and name H1'  ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue 28 and name H1'  ) (residue 29 and name H1'  )  6.0  2.0  1.0

!-s- base-base ( 27 )

 assign (residue  4 and name H8   ) (residue  3 and name H6   )  6.0  2.0  1.0
 assign (residue  7 and name H8   ) (residue  6 and name H2   )  6.0  2.0  1.0
 assign (residue  8 and name H8   ) (residue  7 and name H8   )  6.0  2.0  1.0
 assign (residue 11 and name H8   ) (residue 12 and name H8   )  6.0  2.0  1.0
 assign (residue 14 and name H5   ) (residue 15 and name H5   )  3.5  1.0  1.0
!assign (residue 14 and name H6   ) (residue 15 and name H5   )  5.0  1.5  1.0
 assign (residue 15 and name H6   ) (residue 14 and name H5   )  6.0  2.0  1.0
 assign (residue 15 and name H6   ) (residue 14 and name H6   )  5.0  1.5  1.0
 assign (residue 16 and name H6   ) (residue 17 and name H5   )  5.0  1.5  1.0
 assign (residue 16 and name H6   ) (residue 17 and name H6   )  5.0  1.5  1.0
 assign (residue 19 and name H8   ) (residue 20 and name H5   )  6.0  2.0  1.0
 assign (residue 19 and name H8   ) (residue 20 and name H6   )  6.0  2.0  1.0
 assign (residue 20 and name H5   ) (residue 21 and name H5   )  5.0  1.5  1.0
 assign (residue 22 and name H6   ) (residue 21 and name H6   )  5.0  1.5  1.0
 assign (residue 24 and name H6   ) (residue 25 and name H5   )  6.0  2.0  1.0
 assign (residue 26 and name H6   ) (residue 27 and name H5   )  5.0  1.5  1.0
!assign (residue 27 and name H6   ) (residue 26 and name H6   )  6.0  2.0  1.0
 assign (residue 27 and name H6   ) (residue 28 and name H5   )  5.0  1.5  1.0
 assign (residue 28 and name H6   ) (residue 29 and name H8   )  5.0  1.5  1.0
 assign (residue 30 and name H5   ) (residue 29 and name H8   )  5.0  1.5  1.0
 assign (residue 30 and name H5   ) (residue 31 and name H5   )  5.0  1.5  1.0
 assign (residue 30 and name H6   ) (residue 31 and name H5   )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 30 and name H5   )  5.0  1.5  1.0
 assign (residue 31 and name H6   ) (residue 30 and name H6   )  5.0  1.5  1.0

!-s- sequential others ( 16 )

 assign (residue 15 and name H2'  ) (residue 16 and name H2'  )  3.5  1.0  1.0
 assign (residue 15 and name H2'  ) (residue 16 and name H3'  )  3.5  1.0  1.0
 assign (residue 17 and name H5'  ) (residue 16 and name H5'' )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 16 and name H2'  )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 16 and name H3'  )  5.0  1.5  1.0
 assign (residue 17 and name H4'  ) (residue 18 and name H3'  )  3.5  1.0  1.0
 assign (residue 17 and name H4'  ) (residue 18 and name H5'  )  2.6  0.8  0.8
 assign (residue 17 and name H4'  ) (residue 18 and name H5'' )  3.5  1.0  1.0
 assign (residue 17 and name H5'  ) (residue 18 and name H1'  )  5.0  1.5  1.0
 assign (residue 17 and name H5'  ) (residue 18 and name H3'  )  6.0  2.0  1.0
 assign (residue 17 and name H5'  ) (residue 18 and name H4'  )  5.0  1.5  1.0
 assign (residue 17 and name H5'  ) (residue 18 and name H5'' )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 18 and name H3'  )  6.0  2.0  1.0
 assign (residue 17 and name H5'' ) (residue 18 and name H4'  )  5.0  1.5  1.0
!assign (residue 17 and name H5'' ) (residue 18 and name H5'' )  6.0  2.0  1.0

!-l- i+2/i-2 NOEs ( 11 )

 assign (residue 15 and name H1'  ) (residue 17 and name H5   )  5.0  1.5  1.0
 assign (residue 15 and name H2'  ) (residue 17 and name H5   )  2.6  0.8  0.8
 assign (residue 15 and name H3'  ) (residue 17 and name H5   )  5.0  1.5  1.0
 assign (residue 15 and name H6   ) (residue 17 and name H5   )  6.0  2.0  1.0
 assign (residue 17 and name H6   ) (residue 15 and name H2'  )  3.5  1.0  1.0
 assign (residue 17 and name H5   ) (residue 16 and name H5'' )  3.5  1.0  1.0

!-o- interstrand or long-range  NOEs ( 11 )

 assign (residue  6 and name H2   ) (residue 27 and name H1'  )  2.6  0.8  0.8
 assign (residue  6 and name H2   ) (residue 27 and name H2'  )  6.0  2.0  1.0
 assign (residue  7 and name H2   ) (residue 26 and name H1'  )  5.0  1.5  1.0
 assign (residue  8 and name H2   ) (residue 25 and name H1'  )  2.6  0.8  0.8
 assign (residue 10 and name H2   ) (residue 23 and name H1'  )  5.0  1.5  1.0
 assign (residue 11 and name H2   ) (residue 23 and name H1'  )  3.5  1.0  1.0

!-ie- ex_base-base ( 41 )

 assign (residue  6 and name H2   ) (residue  6 and name H62  )  5.4  1.6  1.6
 assign (residue  6 and name H61  ) (residue  6 and name H2   )  5.4  1.6  1.6
 assign (residue  6 and name H61  ) (residue  6 and name H62  )  2.6  0.8  0.8
 assign (residue  6 and name H8   ) (residue  6 and name H62  )  5.4  1.6  1.6
 assign (residue  9 and name H41  ) (residue  9 and name H42  )  2.6  0.8  0.8
 assign (residue  9 and name H41  ) (residue  9 and name H6   )  5.4  1.6  1.6
 assign (residue  9 and name H5   ) (residue  9 and name H41  )  2.6  0.8  0.8
 assign (residue  9 and name H5   ) (residue  9 and name H42  )  5.4  1.6  1.6
 assign (residue  9 and name H6   ) (residue  9 and name H42  )  5.4  1.6  1.6
 assign (residue 14 and name H41  ) (residue 14 and name H42  )  2.6  0.8  0.8
 assign (residue 14 and name H41  ) (residue 14 and name H6   )  5.4  1.6  1.6
 assign (residue 14 and name H5   ) (residue 14 and name H41  )  2.6  0.8  0.8
 assign (residue 14 and name H5   ) (residue 14 and name H42  )  3.4  1.6  1.6
 assign (residue 14 and name H6   ) (residue 14 and name H42  )  5.4  1.6  1.6
 assign (residue 17 and name H41  ) (residue 17 and name H6   )  5.4  1.6  1.6
 assign (residue 17 and name H42  ) (residue 17 and name H41  )  2.6  0.8  0.8
 assign (residue 17 and name H42  ) (residue 17 and name H6   )  5.4  1.6  1.6
 assign (residue 17 and name H5   ) (residue 17 and name H41  )  2.6  0.8  0.8
 assign (residue 17 and name H5   ) (residue 17 and name H42  )  3.4  1.6  1.6
 assign (residue 19 and name H21  ) (residue 19 and name H1   )  2.6  0.8  0.8
 assign (residue 19 and name H21  ) (residue 19 and name H22  )  2.6  0.8  0.8
 assign (residue 19 and name H22  ) (residue 19 and name H1   )  2.6  0.8  0.8
 assign (residue 20 and name H41  ) (residue 20 and name H42  )  2.6  0.8  0.8
 assign (residue 20 and name H41  ) (residue 20 and name H6   )  5.4  1.6  1.6
 assign (residue 20 and name H5   ) (residue 20 and name H41  )  2.6  0.8  0.8
 assign (residue 20 and name H5   ) (residue 20 and name H42  )  3.4  1.6  1.6
 assign (residue 20 and name H6   ) (residue 20 and name H42  )  5.4  1.6  1.6
 assign (residue 21 and name H41  ) (residue 21 and name H42  )  2.6  0.8  0.8
 assign (residue 21 and name H5   ) (residue 21 and name H41  )  2.6  0.8  0.8
 assign (residue 21 and name H5   ) (residue 21 and name H42  )  3.4  1.6  1.6
 assign (residue 21 and name H6   ) (residue 21 and name H42  )  5.4  1.6  1.6
 assign (residue 24 and name H41  ) (residue 24 and name H42  )  2.6  0.8  0.8
 assign (residue 25 and name H3   ) (residue 25 and name H6   )  5.4  1.6  1.6
 assign (residue 27 and name H5   ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue 29 and name H22  ) (residue 29 and name H1   )  2.6  0.8  0.8
 assign (residue 30 and name H41  ) (residue 30 and name H42  )  2.6  0.8  0.8
 assign (residue 30 and name H41  ) (residue 30 and name H6   )  5.4  1.6  1.6
 assign (residue 30 and name H5   ) (residue 30 and name H41  )  2.6  0.8  0.8
 assign (residue 30 and name H5   ) (residue 30 and name H42  )  3.4  1.6  1.6
 assign (residue 30 and name H6   ) (residue 30 and name H42  )  5.4  1.6  1.6

!-ie- ex_base-sugar ( 3 )

 assign (residue  9 and name H3'  ) (residue  9 and name H42  )  5.4  1.6  1.6
 assign (residue 26 and name H1'  ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue 27 and name H2'  ) (residue 27 and name H3   )  5.4  1.6  1.6

!-i- others ( 8 )

 assign (residue  6 and name H2'  ) (residue  6 and name HO2' )  2.6  0.8  0.8
 assign (residue  7 and name H1'  ) (residue  7 and name HO2' )  2.6  0.8  0.8
 assign (residue  7 and name H2'  ) (residue  7 and name HO2' )  2.6  0.8  0.8
 assign (residue 15 and name H1'  ) (residue 15 and name HO2' )  2.6  0.8  0.8
 assign (residue 15 and name H2'  ) (residue 15 and name HO2' )  2.6  0.8  0.8
 assign (residue 15 and name H3'  ) (residue 15 and name HO2' )  3.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 15 and name H6   )  5.4  1.6  1.6

!-s- sequential NOEs

!-s- base-H2' ( 4 )

 assign (residue  7 and name HO2' ) (residue  8 and name H8   )  5.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 16 and name H6   )  3.4  1.6  1.6
 assign (residue 16 and name H5   ) (residue 15 and name HO2' )  5.4  1.6  1.6

!-se- ex_base-base ( 27 )

 assign (residue  5 and name H22  ) (residue  4 and name H2   )  5.4  1.6  1.6
 assign (residue  6 and name H2   ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue  6 and name H62  ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue  6 and name H8   ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue 12 and name H1   ) (residue 13 and name H1   )  5.4  1.6  1.6
 assign (residue 14 and name H41  ) (residue 13 and name H1   )  5.4  1.6  1.6
 assign (residue 14 and name H42  ) (residue 13 and name H1   )  5.4  1.6  1.6
 assign (residue 15 and name H5   ) (residue 14 and name H42  )  5.4  1.6  1.6
 assign (residue 17 and name H5   ) (residue 18 and name H1   )  5.4  1.6  1.6
 assign (residue 17 and name H6   ) (residue 18 and name H1   )  5.4  1.6  1.6
 assign (residue 18 and name H1   ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 19 and name H8   ) (residue 18 and name H1   )  5.4  1.6  1.6
 assign (residue 20 and name H42  ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 20 and name H5   ) (residue 21 and name H42  )  5.4  1.6  1.6
 assign (residue 21 and name H42  ) (residue 20 and name H42  )  5.4  1.6  1.6
 assign (residue 21 and name H5   ) (residue 20 and name H42  )  5.4  1.6  1.6
 assign (residue 24 and name H42  ) (residue 25 and name H3   )  5.4  1.6  1.6
 assign (residue 25 and name H3   ) (residue 24 and name H6   )  5.4  1.6  1.6
 assign (residue 26 and name H5   ) (residue 25 and name H3   )  5.4  1.6  1.6
 assign (residue 26 and name H3   ) (residue 25 and name H3   )  5.4  1.6  1.6
 assign (residue 27 and name H3   ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue 27 and name H5   ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue 27 and name H6   ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue 27 and name H3   ) (residue 28 and name H3   )  5.4  1.6  1.6
 assign (residue 28 and name H6   ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue 30 and name H41  ) (residue 29 and name H1   )  5.4  1.6  1.6
 assign (residue 30 and name H42  ) (residue 29 and name H1   )  5.4  1.6  1.6

!-se- ex_base-sugar ( 17 )

 assign (residue  6 and name H1'  ) (residue  5 and name H1   )  3.4  1.6  1.6
 assign (residue  6 and name H2'  ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue  8 and name H1'  ) (residue  9 and name H42  )  5.4  1.6  1.6
 assign (residue 13 and name H1'  ) (residue 12 and name H1   )  5.4  1.6  1.6
 assign (residue 16 and name H3'  ) (residue 17 and name H41  )  5.4  1.6  1.6
 assign (residue 16 and name H3'  ) (residue 17 and name H42  )  5.4  1.6  1.6
 assign (residue 17 and name H1'  ) (residue 18 and name H1   )  3.4  1.6  1.6
 assign (residue 17 and name H5'  ) (residue 18 and name H1   )  5.4  1.6  1.6
!assign (residue 19 and name H5'  ) (residue 18 and name H1   )  3.4  1.6  1.6
 assign (residue 19 and name H5'  ) (residue 20 and name H42  )  5.4  1.6  1.6
 assign (residue 24 and name H1'  ) (residue 23 and name H1   )  5.4  1.6  1.6
 assign (residue 27 and name H1'  ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue 28 and name H1'  ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue 30 and name H1'  ) (residue 29 and name H1   )  3.4  1.6  1.6
 assign (residue 30 and name H1'  ) (residue 29 and name H22  )  5.4  1.6  1.6

!-s- sequential others ( 2 )

 assign (residue 16 and name H3'  ) (residue 15 and name HO2' )  5.4  1.6  1.6

!-l- i+2/i-2 NOEs ( 10 )

 assign (residue 15 and name H2'  ) (residue 17 and name H42  )  5.4  1.6  1.6
 assign (residue 15 and name H3'  ) (residue 17 and name H41  )  2.6  0.8  0.8
 assign (residue 15 and name H3'  ) (residue 17 and name H42  )  5.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 17 and name H41  )  5.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 17 and name H6   )  5.4  1.6  1.6
 assign (residue 16 and name H3'  ) (residue 18 and name H1   )  5.4  1.6  1.6
 assign (residue 17 and name H41  ) (residue 15 and name H6   )  5.4  1.6  1.6
 assign (residue 17 and name H42  ) (residue 15 and name H6   )  5.4  1.6  1.6
 assign (residue 17 and name H5   ) (residue 15 and name HO2' )  3.4  1.6  1.6

!-l- i+3/i-3 NOEs ( 3 )

 assign (residue 15 and name H2'  ) (residue 18 and name H1   )  3.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 18 and name H1   )  3.4  1.6  1.6

!-l- i+4/i-4 NOEs ( 7 )

 assign (residue 15 and name H1'  ) (residue 19 and name H21  )  5.4  1.6  1.6
 assign (residue 15 and name H1'  ) (residue 19 and name H22  )  5.4  1.6  1.6
 assign (residue 15 and name H2'  ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 15 and name H3'  ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 15 and name H3'  ) (residue 19 and name H22  )  5.4  1.6  1.6
 assign (residue 15 and name HO2' ) (residue 19 and name H1   )  5.4  1.6  1.6

!-o- interstrand or long-range  NOEs ( 61 )

 assign (residue  4 and name H1'  ) (residue 29 and name H1   )  3.4  1.6  1.6
 assign (residue  4 and name H2   ) (residue 29 and name H1   )  5.4  1.6  1.6
 assign (residue  4 and name H2'  ) (residue 29 and name H1   )  5.4  1.6  1.6
 assign (residue  4 and name H8   ) (residue 29 and name H1   )  5.4  1.6  1.6
 assign (residue  5 and name H1   ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue  5 and name H1   ) (residue 27 and name H3   )  2.6  0.8  0.8
 assign (residue  5 and name H22  ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue  5 and name H1   ) (residue 28 and name H3   )  5.4  1.6  1.6
 assign (residue  5 and name H22  ) (residue 28 and name H1'  )  5.4  1.6  1.6
 assign (residue  6 and name H2   ) (residue 26 and name H3   )  2.6  0.8  0.8
 assign (residue  6 and name H61  ) (residue 26 and name H3   )  3.4  1.6  1.6
 assign (residue  6 and name H62  ) (residue 26 and name H3   )  3.4  1.6  1.6
 assign (residue  6 and name H2   ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue  6 and name H61  ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue  6 and name H62  ) (residue 27 and name H3   )  5.4  1.6  1.6
 assign (residue  7 and name H2   ) (residue 25 and name H3   )  2.6  0.8  0.8
 assign (residue  7 and name H1'  ) (residue 26 and name H3   )  5.4  1.6  1.6
 assign (residue  7 and name H2   ) (residue 26 and name H3   )  3.4  1.6  1.6
 assign (residue  9 and name H41  ) (residue 23 and name H1   )  3.4  1.6  1.6
 assign (residue  9 and name H42  ) (residue 23 and name H1   )  3.4  1.6  1.6
 assign (residue  9 and name H6   ) (residue 24 and name H42  )  5.4  1.6  1.6
 assign (residue 10 and name H1'  ) (residue 23 and name H1   )  5.4  1.6  1.6
 assign (residue 13 and name H1   ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 14 and name H1'  ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 14 and name H1'  ) (residue 19 and name H21  )  5.4  1.6  1.6
 assign (residue 14 and name H1'  ) (residue 19 and name H22  )  5.4  1.6  1.6
 assign (residue 14 and name H41  ) (residue 19 and name H1   )  3.4  1.6  1.6
 assign (residue 14 and name H42  ) (residue 19 and name H1   )  2.6  0.8  0.8
 assign (residue 14 and name H5   ) (residue 19 and name H1   )  5.4  1.6  1.6
 assign (residue 14 and name H42  ) (residue 20 and name H42  )  5.4  1.6  1.6
!assign (residue 19 and name H5'  ) (residue 13 and name H1   )  5.4  1.6  1.6
!assign (residue 19 and name H21  ) (residue 14 and name H42  )  5.4  1.6  1.6
 assign (residue 20 and name H41  ) (residue 13 and name H1   )  3.4  1.6  1.6
 assign (residue 20 and name H42  ) (residue 13 and name H1   )  2.6  0.8  0.8
 assign (residue 20 and name H5   ) (residue 13 and name H1   )  5.4  1.6  1.6
!assign (residue 20 and name H41  ) (residue 14 and name H6   )  5.4  1.6  1.6
 assign (residue 21 and name H41  ) (residue 12 and name H1   )  3.4  1.6  1.6
 assign (residue 21 and name H42  ) (residue 12 and name H1   )  3.4  1.6  1.6
 assign (residue 21 and name H5   ) (residue 12 and name H1   )  5.4  1.6  1.6
 assign (residue 21 and name H42  ) (residue 13 and name H1   )  5.4  1.6  1.6
 assign (residue 21 and name H5   ) (residue 13 and name H1   )  3.4  1.6  1.6
 assign (residue 22 and name H1'  ) (residue 12 and name H1   )  5.4  1.6  1.6
 assign (residue 25 and name H3   ) (residue  6 and name H2   )  5.4  1.6  1.6
 assign (residue 25 and name H3   ) (residue  8 and name H2   )  5.4  1.6  1.6
 assign (residue 27 and name H1'  ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue 27 and name H2'  ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue 27 and name H3'  ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue 28 and name H1'  ) (residue  5 and name H1   )  3.4  1.6  1.6
 assign (residue 28 and name H6   ) (residue  5 and name H1   )  5.4  1.6  1.6
 assign (residue 29 and name H1   ) (residue  2 and name H1   )  5.4  1.6  1.6
 assign (residue 29 and name H1   ) (residue  3 and name H3   )  2.6  0.8  0.8
 assign (residue 29 and name H22  ) (residue  3 and name H3   )  5.4  1.6  1.6
 assign (residue 29 and name H22  ) (residue  4 and name H1'  )  3.4  1.6  1.6
 assign (residue 30 and name H1'  ) (residue  2 and name H1   )  5.4  1.6  1.6
 assign (residue 30 and name H41  ) (residue  2 and name H1   )  3.4  1.6  1.6
 assign (residue 30 and name H42  ) (residue  2 and name H1   )  3.4  1.6  1.6
 assign (residue 30 and name H5   ) (residue  2 and name H1   )  5.4  1.6  1.6
 assign (residue 30 and name H1'  ) (residue  3 and name H3   )  5.4  1.6  1.6
 assign (residue 30 and name H42  ) (residue  3 and name H3   )  5.4  1.6  1.6

 set echo=on message=on end
set message=off echo=off end

!Watson-Crick AU and GC base pair : InsightII

!A1-U31 WC
assign ( resid  1 and name N1 ) ( resid 31 and name N3 ) 2.95 0.2 0.2
assign ( resid  1 and name N6 ) ( resid 31 and name O4 ) 2.83 0.2 0.2
assign ( resid  1 and name H62) ( resid 31 and name O4 ) 1.82 0.2 0.2
assign ( resid  1 and name N1 ) ( resid 31 and name H3 ) 1.93 0.2 0.2
assign ( resid  1 and name N6 ) ( resid 31 and name N3 ) 3.67 0.2 0.2
assign ( resid  1 and name N1 ) ( resid 31 and name O4 ) 3.67 0.2 0.2
assign ( resid  1 and name N1 ) ( resid 31 and name O2 ) 3.72 0.2 0.2
!C30-G2 WC
assign ( resid 30 and name N3 ) ( resid  2 and name N1 ) 2.91 0.2 0.2
assign ( resid 30 and name N4 ) ( resid  2 and name O6 ) 2.72 0.2 0.2
assign ( resid 30 and name O2 ) ( resid  2 and name N2 ) 3.08 0.2 0.2
assign ( resid 30 and name H42) ( resid  2 and name O6 ) 1.71 0.2 0.2
assign ( resid 30 and name N3 ) ( resid  2 and name H1 ) 1.89 0.2 0.2
assign ( resid 30 and name O2 ) ( resid  2 and name H22) 2.08 0.2 0.2
assign ( resid 30 and name O2 ) ( resid  2 and name N1 ) 3.77 0.2 0.2
assign ( resid 30 and name N3 ) ( resid  2 and name O6 ) 3.52 0.2 0.2
!U3-G29 wobble 
!assign ( resid  3 and name O2 ) ( resid 29 and name N1 ) 3.00 0.2 0.2
!assign ( resid  3 and name N3 ) ( resid 29 and name O6 ) 3.00 0.2 0.2
!assign ( resid  3 and name H3 ) ( resid 29 and name O6 ) 1.90 0.2 0.2
!assign ( resid  3 and name O2 ) ( resid 29 and name H1 ) 2.00 0.2 0.2
!A4-U28 WC
assign ( resid  4 and name N1 ) ( resid 28 and name N3 ) 2.95 0.2 0.2
assign ( resid  4 and name N6 ) ( resid 28 and name O4 ) 2.83 0.2 0.2
assign ( resid  4 and name H62) ( resid 28 and name O4 ) 1.82 0.2 0.2
assign ( resid  4 and name N1 ) ( resid 28 and name H3 ) 1.93 0.2 0.2
assign ( resid  4 and name N6 ) ( resid 28 and name N3 ) 3.67 0.2 0.2
assign ( resid  4 and name N1 ) ( resid 28 and name O4 ) 3.67 0.2 0.2
assign ( resid  4 and name N1 ) ( resid 28 and name O2 ) 3.72 0.2 0.2
!U27-G5 wobble
!assign ( resid 27 and name O2 ) ( resid  5 and name N1 ) 3.00 0.2 0.2
!assign ( resid 27 and name N3 ) ( resid  5 and name O6 ) 3.00 0.2 0.2
!assign ( resid 27 and name H3 ) ( resid  5 and name O6 ) 1.90 0.2 0.2
!assign ( resid 27 and name O2 ) ( resid  5 and name H1 ) 2.00 0.2 0.2
!A6-U26 WC
assign ( resid  6 and name N1 ) ( resid 26 and name N3 ) 2.95 0.2 0.2
assign ( resid  6 and name N6 ) ( resid 26 and name O4 ) 2.83 0.2 0.2
assign ( resid  6 and name H62) ( resid 26 and name O4 ) 1.82 0.2 0.2
assign ( resid  6 and name N1 ) ( resid 26 and name H3 ) 1.93 0.2 0.2
assign ( resid  6 and name N6 ) ( resid 26 and name N3 ) 3.67 0.2 0.2
assign ( resid  6 and name N1 ) ( resid 26 and name O4 ) 3.67 0.2 0.2
assign ( resid  6 and name N1 ) ( resid 26 and name O2 ) 3.72 0.2 0.2
!A7-U25 WC
assign ( resid  7 and name N1 ) ( resid 25 and name N3 ) 2.95 0.2 0.2
assign ( resid  7 and name N6 ) ( resid 25 and name O4 ) 2.83 0.2 0.2
assign ( resid  7 and name H62) ( resid 25 and name O4 ) 1.82 0.2 0.2
assign ( resid  7 and name N1 ) ( resid 25 and name H3 ) 1.93 0.2 0.2
assign ( resid  7 and name N6 ) ( resid 25 and name N3 ) 3.67 0.2 0.2
assign ( resid  7 and name N1 ) ( resid 25 and name O4 ) 3.67 0.2 0.2
assign ( resid  7 and name N1 ) ( resid 25 and name O2 ) 3.72 0.2 0.2
!C9-G23 WC
assign ( resid 9 and name N3 ) ( resid  23 and name N1 ) 2.91 0.2 0.2
assign ( resid 9 and name N4 ) ( resid  23 and name O6 ) 2.72 0.2 0.2
assign ( resid 9 and name O2 ) ( resid  23 and name N2 ) 3.08 0.2 0.2
assign ( resid 9 and name H42) ( resid  23 and name O6 ) 1.71 0.2 0.2
assign ( resid 9 and name N3 ) ( resid  23 and name H1 ) 1.89 0.2 0.2
assign ( resid 9 and name O2 ) ( resid  23 and name H22) 2.08 0.2 0.2
assign ( resid 9 and name O2 ) ( resid  23 and name N1 ) 3.77 0.2 0.2
assign ( resid 9 and name N3 ) ( resid  23 and name O6 ) 3.52 0.2 0.2
!C21-G12 WC
assign ( resid 21 and name N3 ) ( resid 12 and name N1 ) 2.91 0.2 0.2
assign ( resid 21 and name N4 ) ( resid 12 and name O6 ) 2.72 0.2 0.2
assign ( resid 21 and name O2 ) ( resid 12 and name N2 ) 3.08 0.2 0.2
assign ( resid 21 and name H42) ( resid 12 and name O6 ) 1.71 0.2 0.2
assign ( resid 21 and name N3 ) ( resid 12 and name H1 ) 1.89 0.2 0.2
assign ( resid 21 and name O2 ) ( resid 12 and name H22) 2.08 0.2 0.2
assign ( resid 21 and name O2 ) ( resid 12 and name N1 ) 3.77 0.2 0.2
assign ( resid 21 and name N3 ) ( resid 12 and name O6 ) 3.52 0.2 0.2
!C20-G13 WC
assign ( resid 20 and name N3 ) ( resid 13 and name N1 ) 2.91 0.2 0.2
assign ( resid 20 and name N4 ) ( resid 13 and name O6 ) 2.72 0.2 0.2
assign ( resid 20 and name O2 ) ( resid 13 and name N2 ) 3.08 0.2 0.2
assign ( resid 20 and name H42) ( resid 13 and name O6 ) 1.71 0.2 0.2
assign ( resid 20 and name N3 ) ( resid 13 and name H1 ) 1.89 0.2 0.2
assign ( resid 20 and name O2 ) ( resid 13 and name H22) 2.08 0.2 0.2
assign ( resid 20 and name O2 ) ( resid 13 and name N1 ) 3.77 0.2 0.2
assign ( resid 20 and name N3 ) ( resid 13 and name O6 ) 3.52 0.2 0.2
!C14-G19 WC
assign ( resid 14 and name N3 ) ( resid 19 and name N1 ) 2.91 0.2 0.2
assign ( resid 14 and name N4 ) ( resid 19 and name O6 ) 2.72 0.2 0.2
assign ( resid 14 and name O2 ) ( resid 19 and name N2 ) 3.08 0.2 0.2
assign ( resid 14 and name H42) ( resid 19 and name O6 ) 1.71 0.2 0.2
assign ( resid 14 and name N3 ) ( resid 19 and name H1 ) 1.89 0.2 0.2
assign ( resid 14 and name O2 ) ( resid 19 and name H22) 2.08 0.2 0.2
assign ( resid 14 and name O2 ) ( resid 19 and name N1 ) 3.77 0.2 0.2
assign ( resid 14 and name N3 ) ( resid 19 and name O6 ) 3.52 0.2 0.2

set message=on echo=on end
set echo=off message=off end
! a1 beta is unconstrained

! a1 gamma is unconstrained

! a1 delta is unconstrained

! a1 epsilon
assign (resid 1 and name C4') (resid 1 and name C3')
       (resid 1 and name O3') (resid 2 and name P  )
       1 -153 15 2

! a1 zeta
assign (resid 1 and name C3') (resid 1 and name O3')
       (resid 2 and name P  ) (resid 2 and name O5')
       1 -71 15 2

! a1 chi
assign (resid 1 and name O4') (resid 1 and name C1')
       (resid 1 and name N9 ) (resid 1 and name C4 )
       1 -158 15 2

! g2 alpha
assign (resid 1 and name O3') (resid 2 and name P  )
       (resid 2 and name O5') (resid 2 and name C5')
       1 -68 15 2

! g2 beta
assign (resid 2 and name P  ) (resid 2 and name O5')
       (resid 2 and name C5') (resid 2 and name C4')
       1 178 15 2

! g2 gamma
assign (resid 2 and name O5') (resid 2 and name C5')
       (resid 2 and name C4') (resid 2 and name C3')
       1 54 15 2

! g2 delta
assign (resid 2 and name C5') (resid 2 and name C4')
       (resid 2 and name C3') (resid 2 and name O3')
       1 85 15 2

! g2 epsilon
assign (resid 2 and name C4') (resid 2 and name C3')
       (resid 2 and name O3') (resid 3 and name P  )
       1 -153 15 2

! g2 zeta
assign (resid 2 and name C3') (resid 2 and name O3')
       (resid 3 and name P  ) (resid 3 and name O5')
       1 -71 15 2

! g2 chi
assign (resid 2 and name O4') (resid 2 and name C1')
       (resid 2 and name N9 ) (resid 2 and name C4 )
       1 -158 15 2

! u3 alpha
assign (resid 2 and name O3') (resid 3 and name P  )
       (resid 3 and name O5') (resid 3 and name C5')
       1 -68 15 2

! u3 beta
assign (resid 3 and name P  ) (resid 3 and name O5')
       (resid 3 and name C5') (resid 3 and name C4')
       1 178 15 2

! u3 gamma
assign (resid 3 and name O5') (resid 3 and name C5')
       (resid 3 and name C4') (resid 3 and name C3')
       1 54 15 2

! u3 delta
assign (resid 3 and name C5') (resid 3 and name C4')
       (resid 3 and name C3') (resid 3 and name O3')
       1 85 15 2

! u3 epsilon
assign (resid 3 and name C4') (resid 3 and name C3')
       (resid 3 and name O3') (resid 4 and name P  )
       1 -153 15 2

! u3 zeta
assign (resid 3 and name C3') (resid 3 and name O3')
       (resid 4 and name P  ) (resid 4 and name O5')
       1 -71 15 2

! u3 chi
assign (resid 3 and name O4') (resid 3 and name C1')
       (resid 3 and name N1 ) (resid 3 and name C2 )
       1 -158 15 2

! a4 alpha
assign (resid 3 and name O3') (resid 4 and name P  )
       (resid 4 and name O5') (resid 4 and name C5')
       1 -68 15 2

! a4 beta
assign (resid 4 and name P  ) (resid 4 and name O5')
       (resid 4 and name C5') (resid 4 and name C4')
       1 178 15 2

! a4 gamma
assign (resid 4 and name O5') (resid 4 and name C5')
       (resid 4 and name C4') (resid 4 and name C3')
       1 54 15 2

! a4 delta is unconstrained

! a4 epsilon
assign (resid 4 and name C4') (resid 4 and name C3')
       (resid 4 and name O3') (resid 5 and name P  )
       1 -100 15 2

! a4 zeta
assign (resid 4 and name C3') (resid 4 and name O3')
       (resid 5 and name P  ) (resid 5 and name O5')
       1 -71 15 2

! a4 chi
assign (resid 4 and name O4') (resid 4 and name C1')
       (resid 4 and name N9 ) (resid 4 and name C4 )
       1 -158 15 2

! g5 alpha
assign (resid 4 and name O3') (resid 5 and name P  )
       (resid 5 and name O5') (resid 5 and name C5')
       1 -68 15 2

! g5 beta
assign (resid 5 and name P  ) (resid 5 and name O5')
       (resid 5 and name C5') (resid 5 and name C4')
       1 178 15 2

! g5 gamma
assign (resid 5 and name O5') (resid 5 and name C5')
       (resid 5 and name C4') (resid 5 and name C3')
       1 54 15 2

! g5 delta
assign (resid 5 and name C5') (resid 5 and name C4')
       (resid 5 and name C3') (resid 5 and name O3')
       1 85 15 2

! g5 epsilon
assign (resid 5 and name C4') (resid 5 and name C3')
       (resid 5 and name O3') (resid 6 and name P  )
       1 -153 15 2

! g5 zeta
assign (resid 5 and name C3') (resid 5 and name O3')
       (resid 6 and name P  ) (resid 6 and name O5')
       1 -71 15 2

! g5 chi
assign (resid 5 and name O4') (resid 5 and name C1')
       (resid 5 and name N9 ) (resid 5 and name C4 )
       1 -158 15 2

! a6 alpha
assign (resid 5 and name O3') (resid 6 and name P  )
       (resid 6 and name O5') (resid 6 and name C5')
       1 -68 15 2

! a6 beta
assign (resid 6 and name P  ) (resid 6 and name O5')
       (resid 6 and name C5') (resid 6 and name C4')
       1 178 15 2

! a6 gamma
assign (resid 6 and name O5') (resid 6 and name C5')
       (resid 6 and name C4') (resid 6 and name C3')
       1 54 15 2

! a6 delta
assign (resid 6 and name C5') (resid 6 and name C4')
       (resid 6 and name C3') (resid 6 and name O3')
       1 160 15 2

! a6 epsilon
assign (resid 6 and name C4') (resid 6 and name C3')
       (resid 6 and name O3') (resid 7 and name P  )
       1 -153 15 2

! a6 zeta
assign (resid 6 and name C3') (resid 6 and name O3')
       (resid 7 and name P  ) (resid 7 and name O5')
       1 -71 15 2

! a6 chi
assign (resid 6 and name O4') (resid 6 and name C1')
       (resid 6 and name N9 ) (resid 6 and name C4 )
       1 -158 15 2

! a7 alpha
assign (resid 6 and name O3') (resid 7 and name P  )
       (resid 7 and name O5') (resid 7 and name C5')
       1 -68 15 2

! a7 beta
assign (resid 7 and name P  ) (resid 7 and name O5')
       (resid 7 and name C5') (resid 7 and name C4')
       1 178 15 2

! a7 gamma
assign (resid 7 and name O5') (resid 7 and name C5')
       (resid 7 and name C4') (resid 7 and name C3')
       1 54 15 2

! a7 delta
assign (resid 7 and name C5') (resid 7 and name C4')
       (resid 7 and name C3') (resid 7 and name O3')
       1 85 15 2

! a7 epsilon
assign (resid 7 and name C4') (resid 7 and name C3')
       (resid 7 and name O3') (resid 8 and name P  )
       1 -153 15 2

! a7 zeta
assign (resid 7 and name C3') (resid 7 and name O3')
       (resid 8 and name P  ) (resid 8 and name O5')
       1 -71 15 2

! a7 chi
assign (resid 7 and name O4') (resid 7 and name C1')
       (resid 7 and name N9 ) (resid 7 and name C4 )
       1 -158 15 2

! a8 alpha is unconstrained

! a8 beta
assign (resid 8 and name P  ) (resid 8 and name O5')
       (resid 8 and name C5') (resid 8 and name C4')
       1 178 15 2

! a8 gamma is unconstrained

! a8 delta
assign (resid 8 and name C5') (resid 8 and name C4')
       (resid 8 and name C3') (resid 8 and name O3')
       1 85 15 2

! a8 epsilon is unconstrained

! a8 zeta is unconstrained

! a8 chi
assign (resid 8 and name O4') (resid 8 and name C1')
       (resid 8 and name N9 ) (resid 8 and name C4 )
       1 -158 15 2

! c9 alpha is unconstrained

! c9 beta
assign (resid 9 and name P  ) (resid 9 and name O5')
       (resid 9 and name C5') (resid 9 and name C4')
       1 178 15 2

! c9 gamma is unconstrained

! c9 delta
assign (resid 9 and name C5') (resid 9 and name C4')
       (resid 9 and name C3') (resid 9 and name O3')
       1 85 15 2

! c9 epsilon is unconstrained

! c9 zeta is unconstrained

! c9 chi
assign (resid 9 and name O4') (resid 9 and name C1')
       (resid 9 and name N1 ) (resid 9 and name C2 )
       1 -158 15 2

! a10 alpha is unconstrained

! a10 beta
assign (resid 10 and name P  ) (resid 10 and name O5')
       (resid 10 and name C5') (resid 10 and name C4')
       1 178 15 2

! a10 gamma is unconstrained

! a10 delta is unconstrained

! a10 epsilon
assign (resid 10 and name C4') (resid 10 and name C3')
       (resid 10 and name O3') (resid 11 and name P  )
       1 -153 15 2

! a10 zeta is unconstrained

! a10 chi
assign (resid 10 and name O4') (resid 10 and name C1')
       (resid 10 and name N9 ) (resid 10 and name C4 )
       1 -158 15 2

! a11 alpha is unconstrained

! a11 beta
assign (resid 11 and name P  ) (resid 11 and name O5')
       (resid 11 and name C5') (resid 11 and name C4')
       1 178 15 2

! a11 gamma is unconstrained

! a11 delta is unconstrained

! a11 epsilon
assign (resid 11 and name C4') (resid 11 and name C3')
       (resid 11 and name O3') (resid 12 and name P  )
       1 -153 15 2

! a11 zeta is unconstrained

! a11 chi
assign (resid 11 and name O4') (resid 11 and name C1')
       (resid 11 and name N9 ) (resid 11 and name C4 )
       1 -158 15 2

! g12 alpha
assign (resid 11 and name O3') (resid 12 and name P  )
       (resid 12 and name O5') (resid 12 and name C5')
       1 -68 15 2

! g12 beta
assign (resid 12 and name P  ) (resid 12 and name O5')
       (resid 12 and name C5') (resid 12 and name C4')
       1 178 15 2

! g12 gamma
assign (resid 12 and name O5') (resid 12 and name C5')
       (resid 12 and name C4') (resid 12 and name C3')
       1 54 15 2

! g12 delta
assign (resid 12 and name C5') (resid 12 and name C4')
       (resid 12 and name C3') (resid 12 and name O3')
       1 85 15 2

! g12 epsilon
assign (resid 12 and name C4') (resid 12 and name C3')
       (resid 12 and name O3') (resid 13 and name P  )
       1 -153 15 2

! g12 zeta
assign (resid 12 and name C3') (resid 12 and name O3')
       (resid 13 and name P  ) (resid 13 and name O5')
       1 -71 15 2

! g12 chi
assign (resid 12 and name O4') (resid 12 and name C1')
       (resid 12 and name N9 ) (resid 12 and name C4 )
       1 -158 15 2

! g13 alpha
assign (resid 12 and name O3') (resid 13 and name P  )
       (resid 13 and name O5') (resid 13 and name C5')
       1 -68 15 2

! g13 beta
assign (resid 13 and name P  ) (resid 13 and name O5')
       (resid 13 and name C5') (resid 13 and name C4')
       1 178 15 2

! g13 gamma
assign (resid 13 and name O5') (resid 13 and name C5')
       (resid 13 and name C4') (resid 13 and name C3')
       1 54 15 2

! g13 delta
assign (resid 13 and name C5') (resid 13 and name C4')
       (resid 13 and name C3') (resid 13 and name O3')
       1 85 15 2

! g13 epsilon
assign (resid 13 and name C4') (resid 13 and name C3')
       (resid 13 and name O3') (resid 14 and name P  )
       1 -153 15 2

! g13 zeta
assign (resid 13 and name C3') (resid 13 and name O3')
       (resid 14 and name P  ) (resid 14 and name O5')
       1 -71 30 2

! g13 chi
assign (resid 13 and name O4') (resid 13 and name C1')
       (resid 13 and name N9 ) (resid 13 and name C4 )
       1 -158 15 2

! c14 alpha
assign (resid 13 and name O3') (resid 14 and name P  )
       (resid 14 and name O5') (resid 14 and name C5')
       1 -68 30 2

! c14 beta
assign (resid 14 and name P  ) (resid 14 and name O5')
       (resid 14 and name C5') (resid 14 and name C4')
       1 178 15 2

! c14 gamma
assign (resid 14 and name O5') (resid 14 and name C5')
       (resid 14 and name C4') (resid 14 and name C3')
       1 54 15 2

! c14 delta
assign (resid 14 and name C5') (resid 14 and name C4')
       (resid 14 and name C3') (resid 14 and name O3')
       1 85 15 2

! c14 epsilon
assign (resid 14 and name C4') (resid 14 and name C3')
       (resid 14 and name O3') (resid 15 and name P  )
       1 -153 30 2

! c14 zeta
assign (resid 14 and name C3') (resid 14 and name O3')
       (resid 15 and name P  ) (resid 15 and name O5')
       1 -71 30 2

! c14 chi
assign (resid 14 and name O4') (resid 14 and name C1')
       (resid 14 and name N1 ) (resid 14 and name C2 )
       1 -158 15 2

! u15 alpha
assign (resid 14 and name O3') (resid 15 and name P  )
       (resid 15 and name O5') (resid 15 and name C5')
       1 -68 30 2

! u15 beta
assign (resid 15 and name P  ) (resid 15 and name O5')
       (resid 15 and name C5') (resid 15 and name C4')
       1 178 30 2

! u15 gamma is unconstrained

! u15 delta
assign (resid 15 and name C5') (resid 15 and name C4')
       (resid 15 and name C3') (resid 15 and name O3')
       1 85 15 2

! u15 epsilon
assign (resid 15 and name C4') (resid 15 and name C3')
       (resid 15 and name O3') (resid 16 and name P  )
       1 -153 30 2

! u15 zeta
assign (resid 15 and name C3') (resid 15 and name O3')
       (resid 16 and name P  ) (resid 16 and name O5')
       1 -71 30 2

! u15 chi
assign (resid 15 and name O4') (resid 15 and name C1')
       (resid 15 and name N1 ) (resid 15 and name C2 )
       1 -158 15 2

! u16 alpha is unconstrained

! u16 beta
assign (resid 16 and name P  ) (resid 16 and name O5')
       (resid 16 and name C5') (resid 16 and name C4')
       1 178 30 2

! u16 gamma is unconstrained

! u16 delta
assign (resid 16 and name C5') (resid 16 and name C4')
       (resid 16 and name C3') (resid 16 and name O3')
       1 160 15 2

! u16 epsilon
assign (resid 16 and name C4') (resid 16 and name C3')
       (resid 16 and name O3') (resid 17 and name P  )
       1 -153 30 2

! u16 zeta
assign (resid 16 and name C3') (resid 16 and name O3')
       (resid 17 and name P  ) (resid 17 and name O5')
       1 -71 30 2

! u16 chi
assign (resid 16 and name O4') (resid 16 and name C1')
       (resid 16 and name N1 ) (resid 16 and name C2 )
       1 -158 15 2

! c17 alpha
assign (resid 16 and name O3') (resid 17 and name P  )
       (resid 17 and name O5') (resid 17 and name C5')
       1 -68 30 2

! c17 beta
assign (resid 17 and name P  ) (resid 17 and name O5')
       (resid 17 and name C5') (resid 17 and name C4')
       1 178 30 2

! c17 gamma is unconstrained

! c17 delta
assign (resid 17 and name C5') (resid 17 and name C4')
       (resid 17 and name C3') (resid 17 and name O3')
       1 160 15 2

! c17 epsilon
assign (resid 17 and name C4') (resid 17 and name C3')
       (resid 17 and name O3') (resid 18 and name P  )
       1 -153 30 2

! c17 zeta is unconstrained

! c17 chi
assign (resid 17 and name O4') (resid 17 and name C1')
       (resid 17 and name N1 ) (resid 17 and name C2 )
       1 -158 15 2

! g18 alpha
assign (resid 17 and name O3') (resid 18 and name P  )
       (resid 18 and name O5') (resid 18 and name C5')
       1 -68 30 2

! g18 beta is unconstrained

! g18 gamma is unconstrained

! g18 delta
assign (resid 18 and name C5') (resid 18 and name C4')
       (resid 18 and name C3') (resid 18 and name O3')
       1 85 15 2

! g18 epsilon
assign (resid 18 and name C4') (resid 18 and name C3')
       (resid 18 and name O3') (resid 19 and name P  )
       1 -153 30 2

! g18 zeta is unconstrained

! g18 chi is unconstrained

! g19 alpha is unconstrained

! g19 beta
assign (resid 19 and name P  ) (resid 19 and name O5')
       (resid 19 and name C5') (resid 19 and name C4')
       1 178 30 2

! g19 gamma is unconstrained

! g19 delta
assign (resid 19 and name C5') (resid 19 and name C4')
       (resid 19 and name C3') (resid 19 and name O3')
       1 85 15 2

! g19 epsilon
assign (resid 19 and name C4') (resid 19 and name C3')
       (resid 19 and name O3') (resid 20 and name P  )
       1 -153 15 2

! g19 zeta
assign (resid 19 and name C3') (resid 19 and name O3')
       (resid 20 and name P  ) (resid 20 and name O5')
       1 -71 15 2

! g19 chi
assign (resid 19 and name O4') (resid 19 and name C1')
       (resid 19 and name N9 ) (resid 19 and name C4 )
       1 -158 15 2

! c20 alpha
assign (resid 19 and name O3') (resid 20 and name P  )
       (resid 20 and name O5') (resid 20 and name C5')
       1 -68 15 2

! c20 beta
assign (resid 20 and name P  ) (resid 20 and name O5')
       (resid 20 and name C5') (resid 20 and name C4')
       1 178 15 2

! c20 gamma
assign (resid 20 and name O5') (resid 20 and name C5')
       (resid 20 and name C4') (resid 20 and name C3')
       1 54 15 2

! c20 delta
assign (resid 20 and name C5') (resid 20 and name C4')
       (resid 20 and name C3') (resid 20 and name O3')
       1 85 15 2

! c20 epsilon
assign (resid 20 and name C4') (resid 20 and name C3')
       (resid 20 and name O3') (resid 21 and name P  )
       1 -153 15 2

! c20 zeta
assign (resid 20 and name C3') (resid 20 and name O3')
       (resid 21 and name P  ) (resid 21 and name O5')
       1 -71 15 2

! c20 chi
assign (resid 20 and name O4') (resid 20 and name C1')
       (resid 20 and name N1 ) (resid 20 and name C2 )
       1 -158 15 2

! c21 alpha
assign (resid 20 and name O3') (resid 21 and name P  )
       (resid 21 and name O5') (resid 21 and name C5')
       1 -68 15 2

! c21 beta
assign (resid 21 and name P  ) (resid 21 and name O5')
       (resid 21 and name C5') (resid 21 and name C4')
       1 178 15 2

! c21 gamma
assign (resid 21 and name O5') (resid 21 and name C5')
       (resid 21 and name C4') (resid 21 and name C3')
       1 54 15 2

! c21 delta
assign (resid 21 and name C5') (resid 21 and name C4')
       (resid 21 and name C3') (resid 21 and name O3')
       1 85 15 2

! c21 epsilon
assign (resid 21 and name C4') (resid 21 and name C3')
       (resid 21 and name O3') (resid 22 and name P  )
       1 -153 15 2

! c21 zeta
assign (resid 21 and name C3') (resid 21 and name O3')
       (resid 22 and name P  ) (resid 22 and name O5')
       1 -71 15 2

! c21 chi
assign (resid 21 and name O4') (resid 21 and name C1')
       (resid 21 and name N1 ) (resid 21 and name C2 )
       1 -158 15 2

! u22 alpha is unconstrained

! u22 beta
assign (resid 22 and name P  ) (resid 22 and name O5')
       (resid 22 and name C5') (resid 22 and name C4')
       1 178 15 2

! u22 gamma is unconstrained

! u22 delta
assign (resid 22 and name C5') (resid 22 and name C4')
       (resid 22 and name C3') (resid 22 and name O3')
       1 85 15 2

! u22 epsilon is unconstrained

! u22 zeta is unconstrained

! u22 chi
assign (resid 22 and name O4') (resid 22 and name C1')
       (resid 22 and name N1 ) (resid 22 and name C2 )
       1 -158 15 2

! g23 alpha is unconstrained

! g23 beta
assign (resid 23 and name P  ) (resid 23 and name O5')
       (resid 23 and name C5') (resid 23 and name C4')
       1 178 15 2

! g23 gamma is unconstrained

! g23 delta is unconstrained

! g23 epsilon
assign (resid 23 and name C4') (resid 23 and name C3')
       (resid 23 and name O3') (resid 24 and name P  )
       1 -153 15 2

! g23 zeta is unconstrained

! g23 chi
assign (resid 23 and name O4') (resid 23 and name C1')
       (resid 23 and name N9 ) (resid 23 and name C4 )
       1 -158 15 2

! c24 alpha is unconstrained

! c24 beta
assign (resid 24 and name P  ) (resid 24 and name O5')
       (resid 24 and name C5') (resid 24 and name C4')
       1 178 15 2

! c24 gamma is unconstrained

! c24 delta
assign (resid 24 and name C5') (resid 24 and name C4')
       (resid 24 and name C3') (resid 24 and name O3')
       1 85 15 2

! c24 epsilon is unconstrained

! c24 zeta is unconstrained

! c24 chi
assign (resid 24 and name O4') (resid 24 and name C1')
       (resid 24 and name N1 ) (resid 24 and name C2 )
       1 -158 15 2

! u25 alpha
assign (resid 24 and name O3') (resid 25 and name P  )
       (resid 25 and name O5') (resid 25 and name C5')
       1 -68 15 2

! u25 beta
assign (resid 25 and name P  ) (resid 25 and name O5')
       (resid 25 and name C5') (resid 25 and name C4')
       1 178 15 2

! u25 gamma
assign (resid 25 and name O5') (resid 25 and name C5')
       (resid 25 and name C4') (resid 25 and name C3')
       1 54 15 2

! u25 delta
assign (resid 25 and name C5') (resid 25 and name C4')
       (resid 25 and name C3') (resid 25 and name O3')
       1 85 15 2

! u25 epsilon
assign (resid 25 and name C4') (resid 25 and name C3')
       (resid 25 and name O3') (resid 26 and name P  )
       1 -153 15 2

! u25 zeta
assign (resid 25 and name C3') (resid 25 and name O3')
       (resid 26 and name P  ) (resid 26 and name O5')
       1 -71 15 2

! u25 chi
assign (resid 25 and name O4') (resid 25 and name C1')
       (resid 25 and name N1 ) (resid 25 and name C2 )
       1 -158 15 2

! u26 alpha
assign (resid 25 and name O3') (resid 26 and name P  )
       (resid 26 and name O5') (resid 26 and name C5')
       1 -68 15 2

! u26 beta
assign (resid 26 and name P  ) (resid 26 and name O5')
       (resid 26 and name C5') (resid 26 and name C4')
       1 178 15 2

! u26 gamma
assign (resid 26 and name O5') (resid 26 and name C5')
       (resid 26 and name C4') (resid 26 and name C3')
       1 54 15 2

! u26 delta
assign (resid 26 and name C5') (resid 26 and name C4')
       (resid 26 and name C3') (resid 26 and name O3')
       1 85 15 2

! u26 epsilon
assign (resid 26 and name C4') (resid 26 and name C3')
       (resid 26 and name O3') (resid 27 and name P  )
       1 -153 15 2

! u26 zeta
assign (resid 26 and name C3') (resid 26 and name O3')
       (resid 27 and name P  ) (resid 27 and name O5')
       1 -71 15 2

! u26 chi
assign (resid 26 and name O4') (resid 26 and name C1')
       (resid 26 and name N1 ) (resid 26 and name C2 )
       1 -158 15 2

! u27 alpha
assign (resid 26 and name O3') (resid 27 and name P  )
       (resid 27 and name O5') (resid 27 and name C5')
       1 -68 15 2

! u27 beta
assign (resid 27 and name P  ) (resid 27 and name O5')
       (resid 27 and name C5') (resid 27 and name C4')
       1 178 15 2

! u27 gamma
assign (resid 27 and name O5') (resid 27 and name C5')
       (resid 27 and name C4') (resid 27 and name C3')
       1 54 15 2

! u27 delta
assign (resid 27 and name C5') (resid 27 and name C4')
       (resid 27 and name C3') (resid 27 and name O3')
       1 85 15 2

! u27 epsilon
assign (resid 27 and name C4') (resid 27 and name C3')
       (resid 27 and name O3') (resid 28 and name P  )
       1 -153 15 2

! u27 zeta
assign (resid 27 and name C3') (resid 27 and name O3')
       (resid 28 and name P  ) (resid 28 and name O5')
       1 -71 15 2

! u27 chi
assign (resid 27 and name O4') (resid 27 and name C1')
       (resid 27 and name N1 ) (resid 27 and name C2 )
       1 -158 15 2

! u28 alpha
assign (resid 27 and name O3') (resid 28 and name P  )
       (resid 28 and name O5') (resid 28 and name C5')
       1 -68 15 2

! u28 beta
assign (resid 28 and name P  ) (resid 28 and name O5')
       (resid 28 and name C5') (resid 28 and name C4')
       1 178 15 2

! u28 gamma
assign (resid 28 and name O5') (resid 28 and name C5')
       (resid 28 and name C4') (resid 28 and name C3')
       1 54 15 2

! u28 delta is unconstrained

! u28 epsilon
assign (resid 28 and name C4') (resid 28 and name C3')
       (resid 28 and name O3') (resid 29 and name P  )
       1 -100 15 2

! u28 zeta
assign (resid 28 and name C3') (resid 28 and name O3')
       (resid 29 and name P  ) (resid 29 and name O5')
       1 -71 15 2

! u28 chi
assign (resid 28 and name O4') (resid 28 and name C1')
       (resid 28 and name N1 ) (resid 28 and name C2 )
       1 -158 15 2

! g29 alpha
assign (resid 28 and name O3') (resid 29 and name P  )
       (resid 29 and name O5') (resid 29 and name C5')
       1 -68 15 2

! g29 beta
assign (resid 29 and name P  ) (resid 29 and name O5')
       (resid 29 and name C5') (resid 29 and name C4')
       1 178 15 2

! g29 gamma
assign (resid 29 and name O5') (resid 29 and name C5')
       (resid 29 and name C4') (resid 29 and name C3')
       1 54 15 2

! g29 delta
assign (resid 29 and name C5') (resid 29 and name C4')
       (resid 29 and name C3') (resid 29 and name O3')
       1 85 15 2

! g29 epsilon
assign (resid 29 and name C4') (resid 29 and name C3')
       (resid 29 and name O3') (resid 30 and name P  )
       1 -153 15 2

! g29 zeta
assign (resid 29 and name C3') (resid 29 and name O3')
       (resid 30 and name P  ) (resid 30 and name O5')
       1 -71 15 2

! g29 chi
assign (resid 29 and name O4') (resid 29 and name C1')
       (resid 29 and name N9 ) (resid 29 and name C4 )
       1 -158 15 2

! c30 alpha
assign (resid 29 and name O3') (resid 30 and name P  )
       (resid 30 and name O5') (resid 30 and name C5')
       1 -68 15 2

! c30 beta
assign (resid 30 and name P  ) (resid 30 and name O5')
       (resid 30 and name C5') (resid 30 and name C4')
       1 178 15 2

! c30 gamma
assign (resid 30 and name O5') (resid 30 and name C5')
       (resid 30 and name C4') (resid 30 and name C3')
       1 54 15 2

! c30 delta
assign (resid 30 and name C5') (resid 30 and name C4')
       (resid 30 and name C3') (resid 30 and name O3')
       1 85 15 2

! c30 epsilon
assign (resid 30 and name C4') (resid 30 and name C3')
       (resid 30 and name O3') (resid 31 and name P  )
       1 -153 15 2

! c30 zeta
assign (resid 30 and name C3') (resid 30 and name O3')
       (resid 31 and name P  ) (resid 31 and name O5')
       1 -71 15 2

! c30 chi
assign (resid 30 and name O4') (resid 30 and name C1')
       (resid 30 and name N1 ) (resid 30 and name C2 )
       1 -158 15 2

! u31 alpha
assign (resid 30 and name O3') (resid 31 and name P  )
       (resid 31 and name O5') (resid 31 and name C5')
       1 -68 15 2

! u31 beta
assign (resid 31 and name P  ) (resid 31 and name O5')
       (resid 31 and name C5') (resid 31 and name C4')
       1 178 15 2

! u31 gamma
assign (resid 31 and name O5') (resid 31 and name C5')
       (resid 31 and name C4') (resid 31 and name C3')
       1 54 15 2

! u31 delta is unconstrained

! u31 chi
assign (resid 31 and name O4') (resid 31 and name C1')
       (resid 31 and name N1 ) (resid 31 and name C2 )
       1 -158 15 2

set echo=on message=on end
! planar restraints to maintain base planarity
! shbae 24/4/2001
!
! 5'-AGUAGAAACAAGGC UU
! 3'-UCGUUUUCG UCCG GC
!    ^^ ^ ^^ ^  ^^^
!
! A1-U31 WC
!--------------------------------------------------------------------
group
selection=     ((resid  1 and name N1) or (resid  1 and name N3) or
                (resid  1 and name C5) or (resid 31 and name N1) or
                (resid 31 and name N3) or (resid 31 and name C5))
weight = $pscale end

! G2-C15 WC
!--------------------------------------------------------------------
group
selection=     ((resid  2 and name N1) or (resid  2 and name N3) or
                (resid  2 and name C5) or (resid 30 and name N1) or
                (resid 30 and name N3) or (resid 30 and name C5))
weight = $pscale end

! A4-U28 WC
!--------------------------------------------------------------------
group
selection=     ((resid  4 and name N1) or (resid  4 and name N3) or
                (resid  4 and name C5) or (resid 28 and name N1) or
                (resid 28 and name N3) or (resid 28 and name C5))
weight = $pscale end

! A6-U26 WC
!--------------------------------------------------------------------
group
selection=     ((resid  6 and name N1) or (resid  6 and name N3) or
                (resid  6 and name C5) or (resid 26 and name N1) or
                (resid 26 and name N3) or (resid 26 and name C5))
weight = $pscale end

! A7-U25 WC
!--------------------------------------------------------------------
group
selection=     ((resid  7 and name N1) or (resid  7 and name N3) or
                (resid  7 and name C5) or (resid 25 and name N1) or
                (resid 25 and name N3) or (resid 25 and name C5))
weight = $pscale end

! C9-G23 WC
!--------------------------------------------------------------------
group
selection=     ((resid  9 and name N1) or (resid  9 and name N3) or
                (resid  9 and name C5) or (resid 23 and name N1) or
                (resid 23 and name N3) or (resid 23 and name C5))
weight = $pscale end

! G12-C21 WC
!--------------------------------------------------------------------
group
selection=     ((resid 12 and name N1) or (resid 12 and name N3) or
                (resid 12 and name C5) or (resid 21 and name N1) or
                (resid 21 and name N3) or (resid 21 and name C5))
weight = $pscale end

! G13-C20 WC
!--------------------------------------------------------------------
group
selection=     ((resid 13 and name N1) or (resid 13 and name N3) or
                (resid 13 and name C5) or (resid 20 and name N1) or
                (resid 20 and name N3) or (resid 20 and name C5))
weight = $pscale end

! C14-G19 WC
!--------------------------------------------------------------------
group
selection=     ((resid 14 and name N1) or (resid 14 and name N3) or
                (resid 14 and name C5) or (resid 19 and name N1) or
                (resid 19 and name N3) or (resid 19 and name C5))
weight = $pscale end

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C1' )
       ( resid 19   and name H1' )  2.41  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C1' )
       ( resid 16   and name H1' )  1.42  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C3' )
       ( resid 18   and name H3' )  1.38  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C4' )
       ( resid 17   and name H4' )  0.99  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C6  )
       ( resid 16   and name H6  )  -0.59  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C6  )
       ( resid 27   and name H6  )  -8.08  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C6  )
       ( resid 21   and name H6  )  1.76  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C6  )
       ( resid 20   and name H6  )  1.21  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name C6  )
       ( resid 14   and name H6  )  -0.37  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C1' )
       ( resid 18   and name H1' )  -0.59  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C1' )
       ( resid 2    and name H1' )  1.51  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C1' )
       ( resid 22   and name H1' )  0.82  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C1' )
       ( resid 21   and name H1' )  -0.50  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C1' )
       ( resid 12   and name H1' )  0.51  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C1' )
       ( resid 25   and name H1' )  -1.29  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C1' )
       ( resid 4    and name H1' )  4.35  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name C1' )
       ( resid 6    and name H1' )  -2.38  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C1' )
       ( resid 8    and name H1' )  6.26  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C1' )
       ( resid 13   and name H1' )  1.17  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name C1' )
       ( resid 7    and name H1' )  1.46  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C1' )
       ( resid 17   and name H1' )  1.55  1.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C1' )
       ( resid 29   and name H1' )  -6.13  1.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    A   1          1H5*        A   1  -4.001 -11.253   7.957
    2   2H5*    A   1          2H5*        A   1  -4.351 -12.980   7.760
    3    H4*    A   1           H4*        A   1  -1.676 -11.750   8.410
    4    H3*    A   1           H3*        A   1  -2.814 -12.730   5.820
    5    H2*    A   1           H2*        A   1  -0.715 -13.783   5.276
    6   2HO*    A   1          2HO*        A   1   0.201 -11.937   7.069
    7    H1*    A   1           H1*        A   1  -0.334 -14.973   7.745
    8    H8     A   1           H8         A   1  -3.936 -15.264   7.663
    9   1H6     A   1          H61         A   1  -3.424 -19.814   3.495
   10   2H6     A   1          H62         A   1  -4.500 -19.006   4.615
   11    H2     A   1           H2         A   1   0.540 -17.737   3.782
   12    H5T    A   1           H5T        A   1  -3.389 -13.119   9.992
   13   1H5*    G   2          1H5*        G   2   0.765 -10.458   4.610
   14   2H5*    G   2          2H5*        G   2   0.244  -9.372   3.307
   15    H4*    G   2           H4*        G   2   2.265 -10.719   2.792
   16    H3*    G   2           H3*        G   2  -0.140 -10.825   1.005
   17    H2*    G   2           H2*        G   2   0.954 -12.461  -0.380
   18   2HO*    G   2          2HO*        G   2   3.046 -11.492  -0.313
   19    H1*    G   2           H1*        G   2   1.966 -14.003   1.719
   20    H8     G   2           H8         G   2  -1.225 -13.209   3.187
   21    H1     G   2           H1         G   2  -1.901 -17.179  -1.805
   22   1H2     G   2          H21         G   2   1.346 -16.268  -2.592
   23   2H2     G   2          H22         G   2  -0.063 -17.220  -3.005
   24   1H5*    U   3          1H5*        U   3   3.200  -9.436  -1.833
   25   2H5*    U   3          2H5*        U   3   2.359  -8.218  -2.812
   26    H4*    U   3           H4*        U   3   3.464  -9.858  -4.210
   27    H3*    U   3           H3*        U   3   0.457  -9.824  -4.339
   28    H2*    U   3           H2*        U   3   0.591 -11.553  -6.025
   29   2HO*    U   3          2HO*        U   3   2.444 -10.796  -7.133
   30    H1*    U   3           H1*        U   3   2.445 -13.096  -4.624
   31    H3     U   3           H3         U   3  -1.445 -15.353  -4.111
   32    H5     U   3           H5         U   3  -1.694 -12.182  -1.368
   33    H6     U   3           H6         U   3   0.321 -11.289  -2.334
   34   1H5*    A   4          1H5*        A   4   1.456  -8.669  -8.646
   35   2H5*    A   4          2H5*        A   4   0.348  -7.306  -8.894
   36    H4*    A   4           H4*        A   4   0.151  -8.981 -10.651
   37    H3*    A   4           H3*        A   4  -2.250  -8.433  -8.946
   38    H2*    A   4           H2*        A   4  -3.489 -10.130 -10.164
   39   2HO*    A   4          2HO*        A   4  -2.883 -10.427 -12.186
   40    H1*    A   4           H1*        A   4  -1.578 -12.074  -9.870
   41    H8     A   4           H8         A   4  -0.829 -10.152  -6.862
   42   1H6     A   4          H61         A   4  -5.808 -12.617  -4.141
   43   2H6     A   4          H62         A   4  -4.328 -11.721  -3.887
   44    H2     A   4           H2         A   4  -6.064 -13.462  -8.542
   45   1H5*    G   5          1H5*        G   5  -4.286  -6.867 -12.475
   46   2H5*    G   5          2H5*        G   5  -5.010  -5.357 -11.888
   47    H4*    G   5           H4*        G   5  -6.650  -7.073 -12.593
   48    H3*    G   5           H3*        G   5  -6.760  -6.026  -9.772
   49    H2*    G   5           H2*        G   5  -8.700  -7.429  -9.415
   50   2HO*    G   5          2HO*        G   5  -9.738  -8.422 -11.102
   51    H1*    G   5           H1*        G   5  -7.560  -9.697 -10.566
   52    H8     G   5           H8         G   5  -4.614  -8.282  -8.980
   53    H1     G   5           H1         G   5  -8.793 -10.536  -4.663
   54   1H2     G   5          H21         G   5 -11.030 -10.584  -7.290
   55   2H2     G   5          H22         G   5 -10.734 -10.893  -5.593
   56   1H5*    A   6          1H5*        A   6 -10.492  -6.574 -10.747
   57   2H5*    A   6          2H5*        A   6 -11.344  -5.019 -10.770
   58    H4*    A   6           H4*        A   6 -12.548  -6.834  -9.592
   59    H3*    A   6           H3*        A   6 -12.593  -4.229  -8.872
   60    H2*    A   6           H2*        A   6 -10.863  -4.312  -7.191
   61   2HO*    A   6          2HO*        A   6 -13.160  -5.326  -5.825
   62    H1*    A   6           H1*        A   6 -11.935  -7.043  -6.288
   63    H8     A   6           H8         A   6  -8.475  -6.046  -7.619
   64   1H6     A   6          H61         A   6  -6.461  -6.984  -1.839
   65   2H6     A   6          H62         A   6  -5.994  -6.618  -3.489
   66    H2     A   6           H2         A   6 -10.922  -7.498  -1.863
   67   1H5*    A   7          1H5*        A   7 -15.201  -5.910  -5.366
   68   2H5*    A   7          2H5*        A   7 -16.536  -4.745  -5.275
   69    H4*    A   7           H4*        A   7 -15.707  -4.869  -3.104
   70    H3*    A   7           H3*        A   7 -14.624  -2.396  -4.438
   71    H2*    A   7           H2*        A   7 -13.294  -1.961  -2.533
   72   2HO*    A   7          2HO*        A   7 -15.431  -3.298  -1.273
   73    H1*    A   7           H1*        A   7 -13.286  -4.776  -1.631
   74    H8     A   7           H8         A   7 -11.451  -3.785  -4.822
   75   1H6     A   7          H61         A   7  -6.404  -3.443  -1.245
   76   2H6     A   7          H62         A   7  -7.000  -3.400  -2.891
   77    H2     A   7           H2         A   7  -9.963  -4.021   1.416
   78   1H5*    A   8          1H5*        A   8 -17.453   0.276  -0.824
   79   2H5*    A   8          2H5*        A   8 -16.291   1.534  -1.287
   80    H4*    A   8           H4*        A   8 -16.566   0.305   1.202
   81    H3*    A   8           H3*        A   8 -14.502   2.178   0.074
   82    H2*    A   8           H2*        A   8 -13.110   1.749   1.976
   83   2HO*    A   8          2HO*        A   8 -15.282   0.283   3.108
   84    H1*    A   8           H1*        A   8 -13.675  -1.015   2.135
   85    H8     A   8           H8         A   8 -13.060   0.174  -1.410
   86   1H6     A   8          H61         A   8  -7.088  -1.085  -0.357
   87   2H6     A   8          H62         A   8  -8.269  -0.645  -1.569
   88    H2     A   8           H2         A   8  -9.294  -1.437   3.534
   89   1H5*    C   9          1H5*        C   9 -15.506   4.025   4.906
   90   2H5*    C   9          2H5*        C   9 -14.707   5.487   4.293
   91    H4*    C   9           H4*        C   9 -13.823   4.072   6.391
   92    H3*    C   9           H3*        C   9 -12.338   5.832   4.484
   93    H2*    C   9           H2*        C   9 -10.227   5.079   5.360
   94   2HO*    C   9          2HO*        C   9 -11.581   3.453   7.251
   95    H1*    C   9           H1*        C   9 -10.846   2.377   5.410
   96   1H4     C   9          H41         C   9 -10.023   3.703  -1.005
   97   2H4     C   9          H42         C   9  -8.498   3.047  -0.425
   98    H5     C   9           H5         C   9 -11.897   4.167   0.478
   99    H6     C   9           H6         C   9 -12.672   4.080   2.784
  100   1H5*    A  10          1H5*        A  10  -9.720   9.316   7.333
  101   2H5*    A  10          2H5*        A  10  -9.519   8.789   5.650
  102    H4*    A  10           H4*        A  10  -8.054   7.906   8.109
  103    H3*    A  10           H3*        A  10  -7.218   9.129   5.503
  104    H2*    A  10           H2*        A  10  -5.207   7.823   5.514
  105   2HO*    A  10          2HO*        A  10  -4.508   7.917   7.593
  106    H1*    A  10           H1*        A  10  -6.378   5.443   6.443
  107    H8     A  10           H8         A  10  -8.912   6.489   4.070
  108   1H6     A  10          H61         A  10  -5.218   4.662  -0.549
  109   2H6     A  10          H62         A  10  -6.841   5.148  -0.116
  110    H2     A  10           H2         A  10  -2.775   4.815   3.209
  111   1H5*    A  11          1H5*        A  11  -3.192  12.239   6.512
  112   2H5*    A  11          2H5*        A  11  -3.637  11.580   4.925
  113    H4*    A  11           H4*        A  11  -1.477  10.748   6.809
  114    H3*    A  11           H3*        A  11  -1.578  11.523   3.925
  115    H2*    A  11           H2*        A  11   0.073   9.886   3.352
  116   2HO*    A  11          2HO*        A  11   0.473   9.799   6.173
  117    H1*    A  11           H1*        A  11  -0.879   7.828   4.990
  118    H8     A  11           H8         A  11  -4.039   9.136   3.761
  119   1H6     A  11          H61         A  11  -2.980   6.327  -1.653
  120   2H6     A  11          H62         A  11  -4.176   7.133  -0.663
  121    H2     A  11           H2         A  11   0.841   6.306   0.695
  122   1H5*    G  12          1H5*        G  12   2.815  11.581   4.684
  123   2H5*    G  12          2H5*        G  12   3.173  13.270   4.276
  124    H4*    G  12           H4*        G  12   4.731  11.795   3.186
  125    H3*    G  12           H3*        G  12   2.885  13.374   1.448
  126    H2*    G  12           H2*        G  12   3.717  12.270  -0.523
  127   2HO*    G  12          2HO*        G  12   5.591  11.139  -0.514
  128    H1*    G  12           H1*        G  12   3.599   9.710   0.468
  129    H8     G  12           H8         G  12   0.909  11.943   1.967
  130    H1     G  12           H1         G  12  -0.742   8.991  -3.483
  131   1H2     G  12          H21         G  12   2.583   8.045  -3.630
  132   2H2     G  12          H22         G  12   0.999   7.993  -4.370
  133   1H5*    G  13          1H5*        G  13   6.581  12.893  -0.609
  134   2H5*    G  13          2H5*        G  13   7.150  14.543  -0.931
  135    H4*    G  13           H4*        G  13   7.369  13.268  -2.926
  136    H3*    G  13           H3*        G  13   5.188  15.328  -3.029
  137    H2*    G  13           H2*        G  13   4.686  14.631  -5.285
  138   2HO*    G  13          2HO*        G  13   7.254  13.877  -5.229
  139    H1*    G  13           H1*        G  13   4.745  11.905  -4.737
  140    H8     G  13           H8         G  13   3.382  13.781  -1.768
  141    H1     G  13           H1         G  13  -0.975  12.354  -6.259
  142   1H2     G  13          H21         G  13   1.739  11.461  -8.196
  143   2H2     G  13          H22         G  13   0.001  11.621  -8.068
  144   1H5*    C  14          1H5*        C  14   6.889  16.404  -6.749
  145   2H5*    C  14          2H5*        C  14   7.507  18.034  -6.420
  146    H4*    C  14           H4*        C  14   6.280  18.335  -8.343
  147    H3*    C  14           H3*        C  14   4.484  19.049  -6.029
  148    H2*    C  14           H2*        C  14   2.791  19.618  -7.654
  149   2HO*    C  14          2HO*        C  14   3.965  18.953  -9.959
  150    H1*    C  14           H1*        C  14   3.223  17.332  -9.229
  151   1H4     C  14          H41         C  14  -0.371  15.348  -4.065
  152   2H4     C  14          H42         C  14  -1.535  15.955  -5.232
  153    H5     C  14           H5         C  14   2.014  15.521  -4.391
  154    H6     C  14           H6         C  14   3.773  16.317  -5.879
  155   1H5*    U  15          1H5*        U  15   3.352  22.595  -8.199
  156   2H5*    U  15          2H5*        U  15   3.556  23.770  -6.886
  157    H4*    U  15           H4*        U  15   1.260  23.657  -7.784
  158    H3*    U  15           H3*        U  15   1.737  23.130  -4.868
  159    H2*    U  15           H2*        U  15  -0.629  22.759  -4.576
  160   2HO*    U  15          2HO*        U  15  -1.448  22.935  -7.154
  161    H1*    U  15           H1*        U  15  -0.900  21.069  -6.741
  162    H3     U  15           H3         U  15  -0.790  18.357  -3.086
  163    H5     U  15           H5         U  15   3.233  19.097  -4.028
  164    H6     U  15           H6         U  15   2.480  20.734  -5.623
  165   1H5*    U  16          1H5*        U  16  -0.722  27.710  -3.352
  166   2H5*    U  16          2H5*        U  16  -1.053  26.471  -2.125
  167    H4*    U  16           H4*        U  16  -3.097  27.561  -2.640
  168    H3*    U  16           H3*        U  16  -3.124  24.945  -2.570
  169    H2*    U  16           H2*        U  16  -2.374  24.497  -4.827
  170   2HO*    U  16          2HO*        U  16  -4.383  24.130  -6.075
  171    H1*    U  16           H1*        U  16  -4.300  26.561  -5.975
  172    H3     U  16           H3         U  16  -2.222  25.212  -9.795
  173    H5     U  16           H5         U  16   0.745  27.163  -7.551
  174    H6     U  16           H6         U  16  -0.806  27.230  -5.707
  175   1H5*    C  17          1H5*        C  17  -6.309  23.304  -4.024
  176   2H5*    C  17          2H5*        C  17  -7.235  22.789  -2.601
  177    H4*    C  17           H4*        C  17  -6.245  21.002  -4.166
  178    H3*    C  17           H3*        C  17  -6.929  20.688  -1.541
  179    H2*    C  17           H2*        C  17  -4.732  21.244  -0.656
  180   2HO*    C  17          2HO*        C  17  -3.881  18.686  -1.133
  181    H1*    C  17           H1*        C  17  -3.605  19.566  -2.985
  182   1H4     C  17          H41         C  17   1.553  23.247  -1.360
  183   2H4     C  17          H42         C  17   1.898  21.700  -0.597
  184    H5     C  17           H5         C  17  -0.571  23.794  -2.341
  185    H6     C  17           H6         C  17  -2.771  22.933  -2.928
  186   1H5*    G  18          1H5*        G  18  -8.502  20.725  -3.105
  187   2H5*    G  18          2H5*        G  18  -9.932  20.192  -2.200
  188    H4*    G  18           H4*        G  18 -11.173  20.541  -3.987
  189    H3*    G  18           H3*        G  18  -9.581  18.269  -5.058
  190    H2*    G  18           H2*        G  18  -9.696  18.994  -7.263
  191   2HO*    G  18          2HO*        G  18 -12.311  19.908  -6.537
  192    H1*    G  18           H1*        G  18 -10.920  21.654  -6.547
  193    H8     G  18           H8         G  18 -10.243  22.581  -8.855
  194    H1     G  18           H1         G  18  -4.111  21.027  -7.756
  195   1H2     G  18          H21         G  18  -5.339  19.337  -5.009
  196   2H2     G  18          H22         G  18  -3.947  19.787  -5.967
  197   1H5*    G  19          1H5*        G  19  -9.590  14.579  -5.368
  198   2H5*    G  19          2H5*        G  19  -9.047  16.259  -5.217
  199    H4*    G  19           H4*        G  19 -10.142  15.526  -7.840
  200    H3*    G  19           H3*        G  19  -7.944  13.890  -6.756
  201    H2*    G  19           H2*        G  19  -6.366  14.462  -8.439
  202   2HO*    G  19          2HO*        G  19  -8.637  15.455  -9.861
  203    H1*    G  19           H1*        G  19  -7.004  17.135  -8.810
  204    H8     G  19           H8         G  19  -7.209  16.048  -5.167
  205    H1     G  19           H1         G  19  -1.447  18.126  -7.053
  206   1H2     G  19          H21         G  19  -2.773  18.076 -10.230
  207   2H2     G  19          H22         G  19  -1.380  18.384  -9.205
  208   1H5*    C  20          1H5*        C  20  -8.508  11.979 -10.735
  209   2H5*    C  20          2H5*        C  20  -8.530  10.232 -10.423
  210    H4*    C  20           H4*        C  20  -6.816  10.910 -12.050
  211    H3*    C  20           H3*        C  20  -6.038   9.474  -9.548
  212    H2*    C  20           H2*        C  20  -3.700   9.698 -10.087
  213   2HO*    C  20          2HO*        C  20  -4.363   9.480 -12.488
  214    H1*    C  20           H1*        C  20  -3.790  12.367 -10.775
  215   1H4     C  20          H41         C  20  -4.571  12.562  -4.251
  216   2H4     C  20          H42         C  20  -2.839  12.497  -4.484
  217    H5     C  20           H5         C  20  -6.149  12.332  -6.034
  218    H6     C  20           H6         C  20  -6.430  12.029  -8.419
  219   1H5*    C  21          1H5*        C  21  -3.230   8.111 -11.731
  220   2H5*    C  21          2H5*        C  21  -3.463   6.371 -11.986
  221    H4*    C  21           H4*        C  21  -1.231   6.694 -11.269
  222    H3*    C  21           H3*        C  21  -2.996   5.463  -9.176
  223    H2*    C  21           H2*        C  21  -1.178   5.464  -7.628
  224   2HO*    C  21          2HO*        C  21   0.309   5.627 -10.016
  225    H1*    C  21           H1*        C  21  -0.026   7.919  -8.501
  226   1H4     C  21          H41         C  21  -4.500   9.478  -3.910
  227   2H4     C  21          H42         C  21  -3.061   9.046  -3.000
  228    H5     C  21           H5         C  21  -4.662   9.209  -6.311
  229    H6     C  21           H6         C  21  -3.477   8.483  -8.322
  230   1H5*    U  22          1H5*        U  22   0.338   3.691  -8.731
  231   2H5*    U  22          2H5*        U  22   0.248   1.941  -8.456
  232    H4*    U  22           H4*        U  22   1.226   3.435  -6.614
  233    H3*    U  22           H3*        U  22  -0.697   1.183  -6.207
  234    H2*    U  22           H2*        U  22  -0.893   1.707  -3.869
  235   2HO*    U  22          2HO*        U  22   0.842   3.893  -3.994
  236    H1*    U  22           H1*        U  22  -1.182   4.442  -4.173
  237    H3     U  22           H3         U  22  -5.414   3.149  -3.342
  238    H5     U  22           H5         U  22  -4.790   2.095  -7.358
  239    H6     U  22           H6         U  22  -2.476   2.691  -7.076
  240   1H5*    G  23          1H5*        G  23   0.428  -1.515  -2.501
  241   2H5*    G  23          2H5*        G  23  -0.912  -0.491  -3.055
  242    H4*    G  23           H4*        G  23   0.990   0.269  -0.846
  243    H3*    G  23           H3*        G  23  -1.559  -1.297  -0.645
  244    H2*    G  23           H2*        G  23  -2.200  -0.006   1.284
  245   2HO*    G  23          2HO*        G  23   0.000   0.069   2.143
  246    H1*    G  23           H1*        G  23  -1.502   2.470   0.220
  247    H8     G  23           H8         G  23  -2.751   0.925  -2.798
  248    H1     G  23           H1         G  23  -7.493   2.087   1.360
  249   1H2     G  23          H21         G  23  -4.966   2.505   3.679
  250   2H2     G  23          H22         G  23  -6.684   2.505   3.348
  251   1H5*    C  24          1H5*        C  24  -2.264  -3.134   3.652
  252   2H5*    C  24          2H5*        C  24  -2.650  -1.568   2.914
  253    H4*    C  24           H4*        C  24  -0.697  -1.296   5.027
  254    H3*    C  24           H3*        C  24  -3.206  -2.775   5.770
  255    H2*    C  24           H2*        C  24  -3.386  -1.404   7.741
  256   2HO*    C  24          2HO*        C  24  -0.744  -1.292   7.474
  257    H1*    C  24           H1*        C  24  -2.779   1.004   6.447
  258   1H4     C  24          H41         C  24  -9.052  -0.147   4.830
  259   2H4     C  24          H42         C  24  -9.124   0.607   6.412
  260    H5     C  24           H5         C  24  -6.972  -0.803   3.783
  261    H6     C  24           H6         C  24  -4.546  -0.864   4.033
  262   1H5*    U  25          1H5*        U  25  -3.417  -4.160   8.080
  263   2H5*    U  25          2H5*        U  25  -3.544  -5.926   7.985
  264    H4*    U  25           H4*        U  25  -5.713  -4.764   8.236
  265    H3*    U  25           H3*        U  25  -5.281  -6.514   5.823
  266    H2*    U  25           H2*        U  25  -7.573  -6.050   5.201
  267   2HO*    U  25          2HO*        U  25  -7.714  -5.390   7.877
  268    H1*    U  25           H1*        U  25  -7.381  -3.309   5.669
  269    H3     U  25           H3         U  25  -7.403  -3.699   1.150
  270    H5     U  25           H5         U  25  -3.450  -4.543   2.281
  271    H6     U  25           H6         U  25  -4.183  -4.528   4.576
  272   1H5*    U  26          1H5*        U  26  -8.869  -8.419   7.449
  273   2H5*    U  26          2H5*        U  26  -8.643 -10.141   7.087
  274    H4*    U  26           H4*        U  26 -10.669  -9.131   6.071
  275    H3*    U  26           H3*        U  26  -8.618 -10.393   4.256
  276    H2*    U  26           H2*        U  26 -10.083  -9.913   2.412
  277   2HO*    U  26          2HO*        U  26 -12.158 -10.100   2.831
  278    H1*    U  26           H1*        U  26 -10.850  -7.355   3.380
  279    H3     U  26           H3         U  26  -8.557  -6.898  -0.564
  280    H5     U  26           H5         U  26  -5.661  -6.955   2.476
  281    H6     U  26           H6         U  26  -7.395  -7.613   4.009
  282   1H5*    U  27          1H5*        U  27 -12.515 -12.368   3.413
  283   2H5*    U  27          2H5*        U  27 -12.123 -14.044   2.986
  284    H4*    U  27           H4*        U  27 -13.487 -12.838   1.300
  285    H3*    U  27           H3*        U  27 -10.852 -14.046   0.508
  286    H2*    U  27           H2*        U  27 -11.246 -13.276  -1.754
  287   2HO*    U  27          2HO*        U  27 -13.334 -11.916  -1.898
  288    H1*    U  27           H1*        U  27 -11.927 -10.698  -1.004
  289    H3     U  27           H3         U  27  -7.640 -10.481  -2.491
  290    H5     U  27           H5         U  27  -7.339 -11.740   1.505
  291    H6     U  27           H6         U  27  -9.729 -12.023   1.511
  292   1H5*    U  28          1H5*        U  28 -13.871 -16.273  -2.177
  293   2H5*    U  28          2H5*        U  28 -13.173 -17.903  -2.248
  294    H4*    U  28           H4*        U  28 -13.630 -16.918  -4.461
  295    H3*    U  28           H3*        U  28 -10.796 -17.690  -3.802
  296    H2*    U  28           H2*        U  28 -10.194 -17.032  -6.057
  297   2HO*    U  28          2HO*        U  28 -12.891 -17.370  -6.424
  298    H1*    U  28           H1*        U  28 -11.513 -14.594  -5.918
  299    H3     U  28           H3         U  28  -7.040 -13.812  -5.367
  300    H5     U  28           H5         U  28  -8.541 -14.619  -1.528
  301    H6     U  28           H6         U  28 -10.603 -15.305  -2.562
  302   1H5*    G  29          1H5*        G  29 -11.004 -20.961  -6.638
  303   2H5*    G  29          2H5*        G  29 -10.321 -22.330  -5.739
  304    H4*    G  29           H4*        G  29  -8.975 -21.669  -7.693
  305    H3*    G  29           H3*        G  29  -7.675 -21.505  -4.978
  306    H2*    G  29           H2*        G  29  -5.681 -20.733  -6.033
  307   2HO*    G  29          2HO*        G  29  -5.137 -21.631  -7.876
  308    H1*    G  29           H1*        G  29  -7.043 -19.345  -8.173
  309    H8     G  29           H8         G  29  -8.330 -18.134  -4.921
  310    H1     G  29           H1         G  29  -2.650 -15.599  -6.485
  311   1H2     G  29          H21         G  29  -2.551 -18.064  -8.910
  312   2H2     G  29          H22         G  29  -1.757 -16.698  -8.161
  313   1H5*    C  30          1H5*        C  30  -4.671 -23.583  -7.198
  314   2H5*    C  30          2H5*        C  30  -4.188 -24.915  -6.130
  315    H4*    C  30           H4*        C  30  -2.273 -23.588  -6.768
  316    H3*    C  30           H3*        C  30  -3.022 -23.539  -3.859
  317    H2*    C  30           H2*        C  30  -1.181 -22.047  -3.437
  318   2HO*    C  30          2HO*        C  30  -0.427 -22.257  -6.171
  319    H1*    C  30           H1*        C  30  -1.619 -20.418  -5.673
  320   1H4     C  30          H41         C  30  -6.120 -18.557  -1.219
  321   2H4     C  30          H42         C  30  -4.795 -17.412  -1.089
  322    H5     C  30           H5         C  30  -6.041 -20.498  -2.655
  323    H6     C  30           H6         C  30  -4.685 -21.742  -4.256
  324   1H5*    U  31          1H5*        U  31   1.035 -23.653  -4.299
  325   2H5*    U  31          2H5*        U  31   1.789 -24.850  -3.228
  326    H4*    U  31           H4*        U  31   2.771 -22.575  -3.090
  327    H3*    U  31           H3*        U  31   1.661 -23.875  -0.616
  328    H2*    U  31           H2*        U  31   2.307 -21.933   0.644
  329   2HO*    U  31          2HO*        U  31   4.125 -21.738  -1.341
  330    H1*    U  31           H1*        U  31   1.448 -20.071  -1.284
  331    H3     U  31           H3         U  31  -1.406 -19.663   2.230
  332    H5     U  31           H5         U  31  -2.827 -22.948   0.032
  333    H6     U  31           H6         U  31  -0.818 -22.836  -1.288
  334    H3T    U  31           H3T        U  31   3.801 -24.141  -0.216
  Start of MODEL    2
    1   1H5*    A   1          1H5*        A   1  -3.934 -10.718   7.582
    2   2H5*    A   1          2H5*        A   1  -4.367 -12.377   7.128
    3    H4*    A   1           H4*        A   1  -1.721 -11.420   8.209
    4    H3*    A   1           H3*        A   1  -2.580 -12.161   5.429
    5    H2*    A   1           H2*        A   1  -0.440 -13.229   5.084
    6   2HO*    A   1          2HO*        A   1   0.501 -12.769   7.654
    7    H1*    A   1           H1*        A   1  -0.433 -14.599   7.496
    8    H8     A   1           H8         A   1  -4.012 -14.631   6.675
    9   1H6     A   1          H61         A   1  -2.891 -19.214   2.665
   10   2H6     A   1          H62         A   1  -4.134 -18.325   3.518
   11    H2     A   1           H2         A   1   1.042 -17.442   3.889
   12    H5T    A   1           H5T        A   1  -3.439 -12.559   9.553
   13   1H5*    G   2          1H5*        G   2   1.039  -9.943   4.433
   14   2H5*    G   2          2H5*        G   2   0.605  -8.925   3.046
   15    H4*    G   2           H4*        G   2   2.507 -10.474   2.650
   16    H3*    G   2           H3*        G   2   0.096 -10.557   0.861
   17    H2*    G   2           H2*        G   2   1.101 -12.354  -0.380
   18   2HO*    G   2          2HO*        G   2   3.443 -12.159   1.210
   19    H1*    G   2           H1*        G   2   2.072 -13.743   1.863
   20    H8     G   2           H8         G   2  -1.180 -12.749   3.113
   21    H1     G   2           H1         G   2  -1.669 -17.277  -1.401
   22   1H2     G   2          H21         G   2   1.619 -16.476  -2.139
   23   2H2     G   2          H22         G   2   0.221 -17.463  -2.506
   24   1H5*    U   3          1H5*        U   3   3.340  -9.439  -2.148
   25   2H5*    U   3          2H5*        U   3   2.512  -8.239  -3.159
   26    H4*    U   3           H4*        U   3   3.412 -10.003  -4.526
   27    H3*    U   3           H3*        U   3   0.400  -9.935  -4.406
   28    H2*    U   3           H2*        U   3   0.410 -11.751  -6.010
   29   2HO*    U   3          2HO*        U   3   2.109 -12.086  -7.270
   30    H1*    U   3           H1*        U   3   2.372 -13.213  -4.659
   31    H3     U   3           H3         U   3  -1.454 -15.472  -3.796
   32    H5     U   3           H5         U   3  -1.587 -12.155  -1.224
   33    H6     U   3           H6         U   3   0.367 -11.306  -2.342
   34   1H5*    A   4          1H5*        A   4   0.881  -9.049  -8.775
   35   2H5*    A   4          2H5*        A   4  -0.478  -7.962  -9.120
   36    H4*    A   4           H4*        A   4  -0.464 -10.072 -10.434
   37    H3*    A   4           H3*        A   4  -2.863  -9.397  -8.746
   38    H2*    A   4           H2*        A   4  -3.911 -11.428  -9.583
   39   2HO*    A   4          2HO*        A   4  -1.818 -11.220 -11.431
   40    H1*    A   4           H1*        A   4  -1.724 -13.023  -9.025
   41    H8     A   4           H8         A   4  -1.352 -10.618  -6.314
   42   1H6     A   4          H61         A   4  -6.031 -13.367  -3.343
   43   2H6     A   4          H62         A   4  -4.690 -12.252  -3.195
   44    H2     A   4           H2         A   4  -6.047 -14.803  -7.595
   45   1H5*    G   5          1H5*        G   5  -5.144  -8.742 -12.428
   46   2H5*    G   5          2H5*        G   5  -6.019  -7.235 -12.099
   47    H4*    G   5           H4*        G   5  -7.484  -9.191 -12.427
   48    H3*    G   5           H3*        G   5  -7.634  -7.733  -9.795
   49    H2*    G   5           H2*        G   5  -9.427  -9.241  -9.176
   50   2HO*    G   5          2HO*        G   5  -9.246  -9.977 -11.921
   51    H1*    G   5           H1*        G   5  -8.075 -11.535 -10.000
   52    H8     G   5           H8         G   5  -5.278  -9.583  -8.729
   53    H1     G   5           H1         G   5  -9.108 -11.636  -4.007
   54   1H2     G   5          H21         G   5 -11.377 -12.282  -6.525
   55   2H2     G   5          H22         G   5 -11.020 -12.297  -4.811
   56   1H5*    A   6          1H5*        A   6 -11.329  -8.667 -10.611
   57   2H5*    A   6          2H5*        A   6 -12.316  -7.205 -10.796
   58    H4*    A   6           H4*        A   6 -13.353  -8.929  -9.375
   59    H3*    A   6           H3*        A   6 -13.536  -6.268  -8.914
   60    H2*    A   6           H2*        A   6 -11.752  -6.090  -7.298
   61   2HO*    A   6          2HO*        A   6 -13.453  -7.136  -5.380
   62    H1*    A   6           H1*        A   6 -12.645  -8.777  -6.107
   63    H8     A   6           H8         A   6  -9.275  -7.684  -7.598
   64   1H6     A   6          H61         A   6  -7.105  -8.020  -1.810
   65   2H6     A   6          H62         A   6  -6.690  -7.762  -3.495
   66    H2     A   6           H2         A   6 -11.520  -8.816  -1.690
   67   1H5*    A   7          1H5*        A   7 -15.942  -7.882  -5.193
   68   2H5*    A   7          2H5*        A   7 -17.299  -6.747  -5.063
   69    H4*    A   7           H4*        A   7 -16.339  -6.812  -2.936
   70    H3*    A   7           H3*        A   7 -15.455  -4.316  -4.369
   71    H2*    A   7           H2*        A   7 -14.036  -3.788  -2.554
   72   2HO*    A   7          2HO*        A   7 -14.709  -5.283  -0.536
   73    H1*    A   7           H1*        A   7 -13.844  -6.581  -1.611
   74    H8     A   7           H8         A   7 -12.246  -5.531  -4.917
   75   1H6     A   7          H61         A   7  -7.021  -4.951  -1.642
   76   2H6     A   7          H62         A   7  -7.713  -4.945  -3.250
   77    H2     A   7           H2         A   7 -10.390  -5.674   1.223
   78   1H5*    A   8          1H5*        A   8 -17.758  -0.939  -1.000
   79   2H5*    A   8          2H5*        A   8 -16.255  -0.274  -1.669
   80    H4*    A   8           H4*        A   8 -16.875  -1.216   1.027
   81    H3*    A   8           H3*        A   8 -14.908   0.724  -0.150
   82    H2*    A   8           H2*        A   8 -13.504   0.443   1.786
   83   2HO*    A   8          2HO*        A   8 -14.649  -1.338   3.291
   84    H1*    A   8           H1*        A   8 -13.723  -2.336   1.895
   85    H8     A   8           H8         A   8 -13.652  -1.401  -1.725
   86   1H6     A   8          H61         A   8  -7.477  -1.327  -1.274
   87   2H6     A   8          H62         A   8  -8.835  -1.280  -2.374
   88    H2     A   8           H2         A   8  -9.172  -1.612   2.869
   89   1H5*    C   9          1H5*        C   9 -15.652   3.276   4.243
   90   2H5*    C   9          2H5*        C   9 -15.209   4.661   3.227
   91    H4*    C   9           H4*        C   9 -13.802   3.936   5.354
   92    H3*    C   9           H3*        C   9 -12.874   5.240   2.828
   93    H2*    C   9           H2*        C   9 -10.575   4.957   3.478
   94   2HO*    C   9          2HO*        C   9 -10.456   3.738   5.705
   95    H1*    C   9           H1*        C   9 -10.807   2.329   4.339
   96   1H4     C   9          H41         C   9 -11.043   1.839  -2.230
   97   2H4     C   9          H42         C   9  -9.342   1.726  -1.805
   98    H5     C   9           H5         C   9 -12.778   2.338  -0.603
   99    H6     C   9           H6         C   9 -13.223   2.818   1.744
  100   1H5*    A  10          1H5*        A  10 -10.683   7.245   6.094
  101   2H5*    A  10          2H5*        A  10 -10.279   8.869   5.502
  102    H4*    A  10           H4*        A  10  -8.421   7.093   6.065
  103    H3*    A  10           H3*        A  10  -8.412   9.225   3.982
  104    H2*    A  10           H2*        A  10  -6.466   8.327   2.921
  105   2HO*    A  10          2HO*        A  10  -5.029   7.242   4.065
  106    H1*    A  10           H1*        A  10  -7.187   5.650   3.023
  107    H8     A  10           H8         A  10 -10.482   6.987   2.366
  108   1H6     A  10          H61         A  10  -8.803   8.069  -3.493
  109   2H6     A  10          H62         A  10 -10.151   7.960  -2.383
  110    H2     A  10           H2         A  10  -5.094   7.234  -1.115
  111   1H5*    A  11          1H5*        A  11  -3.866  11.940   5.498
  112   2H5*    A  11          2H5*        A  11  -4.101  11.212   3.898
  113    H4*    A  11           H4*        A  11  -2.228  10.398   6.094
  114    H3*    A  11           H3*        A  11  -1.846  11.373   3.294
  115    H2*    A  11           H2*        A  11  -0.045   9.833   2.940
  116   2HO*    A  11          2HO*        A  11   0.392  10.233   5.473
  117    H1*    A  11           H1*        A  11  -1.210   7.637   4.223
  118    H8     A  11           H8         A  11  -4.137   8.945   2.522
  119   1H6     A  11          H61         A  11  -1.979   6.616  -2.791
  120   2H6     A  11          H62         A  11  -3.372   7.304  -1.986
  121    H2     A  11           H2         A  11   1.343   6.521   0.219
  122   1H5*    G  12          1H5*        G  12   2.189  11.436   4.445
  123   2H5*    G  12          2H5*        G  12   2.709  13.108   4.154
  124    H4*    G  12           H4*        G  12   4.153  11.491   3.043
  125    H3*    G  12           H3*        G  12   2.667  13.485   1.386
  126    H2*    G  12           H2*        G  12   3.486  12.473  -0.641
  127   2HO*    G  12          2HO*        G  12   5.544  11.864   0.803
  128    H1*    G  12           H1*        G  12   2.948   9.872   0.065
  129    H8     G  12           H8         G  12   0.480  12.326   1.610
  130    H1     G  12           H1         G  12  -1.141  10.121  -4.191
  131   1H2     G  12          H21         G  12   2.025   8.726  -4.218
  132   2H2     G  12          H22         G  12   0.509   8.965  -5.058
  133   1H5*    G  13          1H5*        G  13   6.478  12.790  -0.563
  134   2H5*    G  13          2H5*        G  13   7.160  14.420  -0.726
  135    H4*    G  13           H4*        G  13   7.291  13.268  -2.827
  136    H3*    G  13           H3*        G  13   5.385  15.588  -2.748
  137    H2*    G  13           H2*        G  13   4.849  15.177  -5.065
  138   2HO*    G  13          2HO*        G  13   6.991  14.631  -5.739
  139    H1*    G  13           H1*        G  13   4.575  12.420  -4.787
  140    H8     G  13           H8         G  13   3.347  14.169  -1.683
  141    H1     G  13           H1         G  13  -0.997  13.689  -6.381
  142   1H2     G  13          H21         G  13   1.653  12.645  -8.330
  143   2H2     G  13          H22         G  13  -0.057  13.003  -8.228
  144   1H5*    C  14          1H5*        C  14   7.475  16.918  -6.351
  145   2H5*    C  14          2H5*        C  14   8.120  18.463  -5.764
  146    H4*    C  14           H4*        C  14   7.017  18.975  -7.755
  147    H3*    C  14           H3*        C  14   5.255  19.711  -5.422
  148    H2*    C  14           H2*        C  14   3.666  20.567  -7.023
  149   2HO*    C  14          2HO*        C  14   5.849  20.230  -8.823
  150    H1*    C  14           H1*        C  14   3.919  18.379  -8.777
  151   1H4     C  14          H41         C  14  -0.081  16.383  -3.929
  152   2H4     C  14          H42         C  14  -1.120  17.237  -5.059
  153    H5     C  14           H5         C  14   2.319  16.291  -4.178
  154    H6     C  14           H6         C  14   4.214  17.011  -5.532
  155   1H5*    U  15          1H5*        U  15   4.691  23.641  -7.221
  156   2H5*    U  15          2H5*        U  15   4.981  24.607  -5.762
  157    H4*    U  15           H4*        U  15   2.733  24.906  -6.751
  158    H3*    U  15           H3*        U  15   3.010  24.007  -3.901
  159    H2*    U  15           H2*        U  15   0.603  23.925  -3.722
  160   2HO*    U  15          2HO*        U  15   0.678  25.098  -6.327
  161    H1*    U  15           H1*        U  15   0.217  22.519  -6.064
  162    H3     U  15           H3         U  15  -0.147  19.473  -2.687
  163    H5     U  15           H5         U  15   3.959  19.730  -3.516
  164    H6     U  15           H6         U  15   3.478  21.608  -4.944
  165   1H5*    U  16          1H5*        U  16   1.113  28.653  -1.870
  166   2H5*    U  16          2H5*        U  16   0.555  27.305  -0.860
  167    H4*    U  16           H4*        U  16  -1.284  28.767  -1.280
  168    H3*    U  16           H3*        U  16  -1.678  26.191  -1.525
  169    H2*    U  16           H2*        U  16  -0.908  25.900  -3.799
  170   2HO*    U  16          2HO*        U  16  -2.750  25.139  -4.533
  171    H1*    U  16           H1*        U  16  -2.466  28.341  -4.745
  172    H3     U  16           H3         U  16  -0.433  27.154  -8.638
  173    H5     U  16           H5         U  16   2.682  28.365  -6.094
  174    H6     U  16           H6         U  16   1.077  28.452  -4.300
  175   1H5*    C  17          1H5*        C  17  -4.978  25.165  -3.259
  176   2H5*    C  17          2H5*        C  17  -6.024  24.644  -1.924
  177    H4*    C  17           H4*        C  17  -5.225  22.903  -3.644
  178    H3*    C  17           H3*        C  17  -6.057  22.425  -1.088
  179    H2*    C  17           H2*        C  17  -3.845  22.578  -0.085
  180   2HO*    C  17          2HO*        C  17  -3.870  19.889  -1.043
  181    H1*    C  17           H1*        C  17  -2.854  20.998  -2.540
  182   1H4     C  17          H41         C  17   2.676  23.762  -0.415
  183   2H4     C  17          H42         C  17   2.780  22.120   0.206
  184    H5     C  17           H5         C  17   0.689  24.685  -1.395
  185    H6     C  17           H6         C  17  -1.581  24.193  -2.126
  186   1H5*    G  18          1H5*        G  18  -7.522  22.718  -2.752
  187   2H5*    G  18          2H5*        G  18  -9.044  22.386  -1.903
  188    H4*    G  18           H4*        G  18 -10.187  22.912  -3.712
  189    H3*    G  18           H3*        G  18  -8.791  20.556  -4.866
  190    H2*    G  18           H2*        G  18  -8.718  21.424  -7.020
  191   2HO*    G  18          2HO*        G  18 -11.343  21.926  -6.283
  192    H1*    G  18           H1*        G  18  -9.706  24.147  -6.184
  193    H8     G  18           H8         G  18  -8.842  25.126  -8.404
  194    H1     G  18           H1         G  18  -2.939  22.935  -7.154
  195   1H2     G  18          H21         G  18  -4.444  21.225  -4.558
  196   2H2     G  18          H22         G  18  -2.972  21.592  -5.429
  197   1H5*    G  19          1H5*        G  19  -9.196  16.920  -5.498
  198   2H5*    G  19          2H5*        G  19  -8.482  18.516  -5.205
  199    H4*    G  19           H4*        G  19  -9.568  18.129  -7.897
  200    H3*    G  19           H3*        G  19  -7.629  16.139  -6.918
  201    H2*    G  19           H2*        G  19  -5.939  16.644  -8.514
  202   2HO*    G  19          2HO*        G  19  -6.428  17.465 -10.465
  203    H1*    G  19           H1*        G  19  -6.215  19.403  -8.643
  204    H8     G  19           H8         G  19  -6.691  17.977  -5.139
  205    H1     G  19           H1         G  19  -0.674  19.608  -6.619
  206   1H2     G  19          H21         G  19  -1.869  20.034  -9.820
  207   2H2     G  19          H22         G  19  -0.494  20.080  -8.727
  208   1H5*    C  20          1H5*        C  20  -8.284  14.730 -11.061
  209   2H5*    C  20          2H5*        C  20  -8.637  12.995 -10.939
  210    H4*    C  20           H4*        C  20  -6.785  13.453 -12.458
  211    H3*    C  20           H3*        C  20  -6.295  11.769 -10.038
  212    H2*    C  20           H2*        C  20  -3.944  11.633 -10.562
  213   2HO*    C  20          2HO*        C  20  -3.730  13.229 -12.690
  214    H1*    C  20           H1*        C  20  -3.587  14.319 -11.053
  215   1H4     C  20          H41         C  20  -4.515  14.156  -4.541
  216   2H4     C  20          H42         C  20  -2.802  13.876  -4.753
  217    H5     C  20           H5         C  20  -6.065  14.276  -6.359
  218    H6     C  20           H6         C  20  -6.321  14.201  -8.765
  219   1H5*    C  21          1H5*        C  21  -3.698   9.847 -12.506
  220   2H5*    C  21          2H5*        C  21  -4.312   8.186 -12.614
  221    H4*    C  21           H4*        C  21  -1.978   8.198 -11.986
  222    H3*    C  21           H3*        C  21  -3.906   7.183  -9.916
  223    H2*    C  21           H2*        C  21  -2.076   6.812  -8.417
  224   2HO*    C  21          2HO*        C  21  -0.138   6.332  -9.182
  225    H1*    C  21           H1*        C  21  -0.627   9.142  -9.141
  226   1H4     C  21          H41         C  21  -4.927  11.090  -4.548
  227   2H4     C  21          H42         C  21  -3.609  10.370  -3.638
  228    H5     C  21           H5         C  21  -5.054  11.001  -6.963
  229    H6     C  21           H6         C  21  -3.943  10.219  -8.992
  230   1H5*    U  22          1H5*        U  22  -1.172   4.749  -9.411
  231   2H5*    U  22          2H5*        U  22  -1.669   3.051  -9.275
  232    H4*    U  22           H4*        U  22  -0.578   4.246  -7.254
  233    H3*    U  22           H3*        U  22  -2.852   2.315  -7.193
  234    H2*    U  22           H2*        U  22  -3.244   2.730  -4.863
  235   2HO*    U  22          2HO*        U  22  -1.754   4.080  -3.686
  236    H1*    U  22           H1*        U  22  -3.045   5.489  -4.962
  237    H3     U  22           H3         U  22  -7.432   4.017  -4.654
  238    H5     U  22           H5         U  22  -6.655   4.857  -8.695
  239    H6     U  22           H6         U  22  -4.322   5.030  -8.131
  240   1H5*    G  23          1H5*        G  23   1.205   0.785  -3.772
  241   2H5*    G  23          2H5*        G  23   0.077  -0.521  -3.359
  242    H4*    G  23           H4*        G  23   1.183   1.234  -1.592
  243    H3*    G  23           H3*        G  23  -1.205  -0.553  -1.398
  244    H2*    G  23           H2*        G  23  -1.927   0.558   0.614
  245   2HO*    G  23          2HO*        G  23   0.090   2.451   0.664
  246    H1*    G  23           H1*        G  23  -1.593   3.135  -0.319
  247    H8     G  23           H8         G  23  -2.480   1.147  -3.335
  248    H1     G  23           H1         G  23  -7.541   2.575   0.336
  249   1H2     G  23          H21         G  23  -5.190   3.534   2.687
  250   2H2     G  23          H22         G  23  -6.881   3.357   2.275
  251   1H5*    C  24          1H5*        C  24   1.020  -1.593   3.102
  252   2H5*    C  24          2H5*        C  24   0.302  -3.204   2.911
  253    H4*    C  24           H4*        C  24  -0.197  -1.841   5.040
  254    H3*    C  24           H3*        C  24  -2.228  -3.393   3.466
  255    H2*    C  24           H2*        C  24  -3.947  -2.634   4.976
  256   2HO*    C  24          2HO*        C  24  -1.703  -1.797   6.513
  257    H1*    C  24           H1*        C  24  -3.107   0.027   5.036
  258   1H4     C  24          H41         C  24  -6.128  -0.724  -0.786
  259   2H4     C  24          H42         C  24  -7.325  -0.044   0.303
  260    H5     C  24           H5         C  24  -3.920  -1.393  -0.061
  261    H6     C  24           H6         C  24  -2.407  -1.542   1.848
  262   1H5*    U  25          1H5*        U  25  -3.631  -4.265   7.246
  263   2H5*    U  25          2H5*        U  25  -3.693  -6.036   7.312
  264    H4*    U  25           H4*        U  25  -5.838  -4.942   7.846
  265    H3*    U  25           H3*        U  25  -5.689  -6.882   5.562
  266    H2*    U  25           H2*        U  25  -8.045  -6.512   5.136
  267   2HO*    U  25          2HO*        U  25  -8.247  -4.576   7.156
  268    H1*    U  25           H1*        U  25  -7.879  -3.761   5.194
  269    H3     U  25           H3         U  25  -7.945  -4.837   0.780
  270    H5     U  25           H5         U  25  -3.929  -5.224   1.937
  271    H6     U  25           H6         U  25  -4.637  -4.924   4.218
  272   1H5*    U  26          1H5*        U  26  -8.893  -8.938   7.664
  273   2H5*    U  26          2H5*        U  26  -8.505 -10.655   7.442
  274    H4*    U  26           H4*        U  26 -10.673  -9.957   6.462
  275    H3*    U  26           H3*        U  26  -8.588 -11.172   4.656
  276    H2*    U  26           H2*        U  26 -10.177 -11.015   2.856
  277   2HO*    U  26          2HO*        U  26 -12.354 -10.075   3.577
  278    H1*    U  26           H1*        U  26 -11.122  -8.452   3.593
  279    H3     U  26           H3         U  26  -8.916  -8.295  -0.441
  280    H5     U  26           H5         U  26  -6.032  -7.609   2.533
  281    H6     U  26           H6         U  26  -7.675  -8.253   4.168
  282   1H5*    U  27          1H5*        U  27 -12.313 -13.415   4.166
  283   2H5*    U  27          2H5*        U  27 -11.891 -15.103   3.818
  284    H4*    U  27           H4*        U  27 -13.374 -14.037   2.138
  285    H3*    U  27           H3*        U  27 -10.750 -15.228   1.290
  286    H2*    U  27           H2*        U  27 -11.251 -14.589  -0.991
  287   2HO*    U  27          2HO*        U  27 -13.329 -14.583  -1.474
  288    H1*    U  27           H1*        U  27 -11.950 -11.987  -0.361
  289    H3     U  27           H3         U  27  -7.706 -11.723  -1.962
  290    H5     U  27           H5         U  27  -7.273 -12.813   2.069
  291    H6     U  27           H6         U  27  -9.652 -13.163   2.149
  292   1H5*    U  28          1H5*        U  28 -13.656 -17.875  -1.051
  293   2H5*    U  28          2H5*        U  28 -12.810 -19.433  -1.120
  294    H4*    U  28           H4*        U  28 -13.375 -18.464  -3.332
  295    H3*    U  28           H3*        U  28 -10.498 -19.081  -2.693
  296    H2*    U  28           H2*        U  28  -9.938 -18.374  -4.938
  297   2HO*    U  28          2HO*        U  28 -12.211 -17.464  -5.913
  298    H1*    U  28           H1*        U  28 -11.454 -16.040  -4.818
  299    H3     U  28           H3         U  28  -7.079 -14.816  -4.392
  300    H5     U  28           H5         U  28  -8.354 -15.806  -0.515
  301    H6     U  28           H6         U  28 -10.377 -16.677  -1.485
  302   1H5*    G  29          1H5*        G  29 -10.518 -22.323  -5.548
  303   2H5*    G  29          2H5*        G  29  -9.735 -23.650  -4.668
  304    H4*    G  29           H4*        G  29  -8.444 -22.867  -6.615
  305    H3*    G  29           H3*        G  29  -7.165 -22.671  -3.896
  306    H2*    G  29           H2*        G  29  -5.251 -21.672  -4.891
  307   2HO*    G  29          2HO*        G  29  -4.626 -22.184  -6.906
  308    H1*    G  29           H1*        G  29  -6.702 -20.427  -7.077
  309    H8     G  29           H8         G  29  -8.008 -19.346  -3.760
  310    H1     G  29           H1         G  29  -2.745 -16.181  -5.608
  311   1H2     G  29          H21         G  29  -2.495 -18.616  -8.052
  312   2H2     G  29          H22         G  29  -1.826 -17.167  -7.336
  313   1H5*    C  30          1H5*        C  30  -4.027 -24.094  -6.354
  314   2H5*    C  30          2H5*        C  30  -3.356 -25.479  -5.471
  315    H4*    C  30           H4*        C  30  -1.609 -23.916  -6.001
  316    H3*    C  30           H3*        C  30  -2.264 -24.158  -3.076
  317    H2*    C  30           H2*        C  30  -0.544 -22.548  -2.600
  318   2HO*    C  30          2HO*        C  30   0.176 -22.468  -5.342
  319    H1*    C  30           H1*        C  30  -1.149 -20.851  -4.772
  320   1H4     C  30          H41         C  30  -5.424 -19.360   0.033
  321   2H4     C  30          H42         C  30  -4.183 -18.121   0.071
  322    H5     C  30           H5         C  30  -5.323 -21.278  -1.430
  323    H6     C  30           H6         C  30  -4.014 -22.408  -3.150
  324   1H5*    U  31          1H5*        U  31   2.004 -24.217  -3.099
  325   2H5*    U  31          2H5*        U  31   2.391 -25.782  -2.357
  326    H4*    U  31           H4*        U  31   3.724 -24.203  -1.257
  327    H3*    U  31           H3*        U  31   1.375 -25.019   0.429
  328    H2*    U  31           H2*        U  31   2.134 -23.531   2.155
  329   2HO*    U  31          2HO*        U  31   4.370 -22.618   0.788
  330    H1*    U  31           H1*        U  31   2.814 -21.425   0.416
  331    H3     U  31           H3         U  31  -0.814 -19.669   2.389
  332    H5     U  31           H5         U  31  -2.378 -22.761   0.017
  333    H6     U  31           H6         U  31  -0.117 -23.414  -0.489
  334    H3T    U  31           H3T        U  31   3.953 -25.449   1.184
  Start of MODEL    3
    1   1H5*    A   1          1H5*        A   1  -1.981 -14.797   9.585
    2   2H5*    A   1          2H5*        A   1  -2.614 -13.984   8.142
    3    H4*    A   1           H4*        A   1  -0.119 -13.836   8.586
    4    H3*    A   1           H3*        A   1  -1.344 -14.487   5.943
    5    H2*    A   1           H2*        A   1   0.823 -14.930   4.985
    6   2HO*    A   1          2HO*        A   1   1.805 -13.930   7.479
    7    H1*    A   1           H1*        A   1   1.743 -16.530   7.028
    8    H8     A   1           H8         A   1  -1.741 -17.447   7.333
    9   1H6     A   1          H61         A   1  -1.252 -20.875   2.204
   10   2H6     A   1          H62         A   1  -2.236 -20.520   3.606
   11    H2     A   1           H2         A   1   2.359 -18.224   2.455
   12    H5T    A   1           H5T        A   1  -2.648 -16.610   8.802
   13   1H5*    G   2          1H5*        G   2   1.542 -11.789   4.938
   14   2H5*    G   2          2H5*        G   2   1.024 -10.595   3.733
   15    H4*    G   2           H4*        G   2   2.958 -11.996   3.049
   16    H3*    G   2           H3*        G   2   0.488 -11.878   1.350
   17    H2*    G   2           H2*        G   2   1.479 -13.450  -0.184
   18   2HO*    G   2          2HO*        G   2   3.768 -12.477   0.960
   19    H1*    G   2           H1*        G   2   2.445 -15.187   1.773
   20    H8     G   2           H8         G   2  -0.651 -14.330   3.401
   21    H1     G   2           H1         G   2  -1.694 -17.857  -1.853
   22   1H2     G   2          H21         G   2   1.578 -17.073  -2.670
   23   2H2     G   2          H22         G   2   0.105 -17.909  -3.111
   24   1H5*    U   3          1H5*        U   3   3.587 -10.366  -1.626
   25   2H5*    U   3          2H5*        U   3   2.748  -8.973  -2.336
   26    H4*    U   3           H4*        U   3   3.510 -10.449  -4.071
   27    H3*    U   3           H3*        U   3   0.527 -10.285  -3.746
   28    H2*    U   3           H2*        U   3   0.296 -11.830  -5.593
   29   2HO*    U   3          2HO*        U   3   2.208 -12.546  -6.698
   30    H1*    U   3           H1*        U   3   2.183 -13.626  -4.643
   31    H3     U   3           H3         U   3  -1.788 -15.563  -3.619
   32    H5     U   3           H5         U   3  -1.208 -12.684  -0.620
   33    H6     U   3           H6         U   3   0.695 -11.886  -1.858
   34   1H5*    A   4          1H5*        A   4   1.127  -8.655  -8.000
   35   2H5*    A   4          2H5*        A   4  -0.136  -7.417  -8.125
   36    H4*    A   4           H4*        A   4  -0.181  -9.150  -9.907
   37    H3*    A   4           H3*        A   4  -2.614  -8.638  -8.227
   38    H2*    A   4           H2*        A   4  -3.781 -10.388  -9.446
   39   2HO*    A   4          2HO*        A   4  -2.995 -10.217 -11.513
   40    H1*    A   4           H1*        A   4  -1.796 -12.259  -9.120
   41    H8     A   4           H8         A   4  -1.206 -10.349  -6.073
   42   1H6     A   4          H61         A   4  -6.206 -12.968  -3.545
   43   2H6     A   4          H62         A   4  -4.758 -12.037  -3.232
   44    H2     A   4           H2         A   4  -6.294 -13.777  -7.957
   45   1H5*    G   5          1H5*        G   5  -4.626  -7.152 -11.829
   46   2H5*    G   5          2H5*        G   5  -5.399  -5.655 -11.274
   47    H4*    G   5           H4*        G   5  -6.981  -7.409 -12.011
   48    H3*    G   5           H3*        G   5  -7.186  -6.334  -9.208
   49    H2*    G   5           H2*        G   5  -9.094  -7.782  -8.868
   50   2HO*    G   5          2HO*        G   5  -8.932  -7.951 -11.678
   51    H1*    G   5           H1*        G   5  -7.881 -10.037  -9.961
   52    H8     G   5           H8         G   5  -4.987  -8.534  -8.368
   53    H1     G   5           H1         G   5  -9.162 -10.809  -4.058
   54   1H2     G   5          H21         G   5 -11.377 -10.920  -6.698
   55   2H2     G   5          H22         G   5 -11.089 -11.185  -4.991
   56   1H5*    A   6          1H5*        A   6 -10.859  -6.891 -10.315
   57   2H5*    A   6          2H5*        A   6 -11.775  -5.372 -10.327
   58    H4*    A   6           H4*        A   6 -12.924  -7.256  -9.204
   59    H3*    A   6           H3*        A   6 -13.095  -4.671  -8.440
   60    H2*    A   6           H2*        A   6 -11.385  -4.708  -6.737
   61   2HO*    A   6          2HO*        A   6 -13.103  -5.911  -4.970
   62    H1*    A   6           H1*        A   6 -12.356  -7.492  -5.886
   63    H8     A   6           H8         A   6  -8.926  -6.329  -7.156
   64   1H6     A   6          H61         A   6  -6.940  -7.274  -1.370
   65   2H6     A   6          H62         A   6  -6.471  -6.861  -3.009
   66    H2     A   6           H2         A   6 -11.375  -7.974  -1.454
   67   1H5*    A   7          1H5*        A   7 -15.527  -6.571  -4.986
   68   2H5*    A   7          2H5*        A   7 -16.965  -5.541  -4.846
   69    H4*    A   7           H4*        A   7 -16.154  -5.587  -2.691
   70    H3*    A   7           H3*        A   7 -15.105  -3.082  -3.989
   71    H2*    A   7           H2*        A   7 -13.794  -2.643  -2.074
   72   2HO*    A   7          2HO*        A   7 -15.171  -4.447  -0.425
   73    H1*    A   7           H1*        A   7 -13.760  -5.462  -1.186
   74    H8     A   7           H8         A   7 -11.890  -4.395  -4.340
   75   1H6     A   7          H61         A   7  -6.904  -4.061  -0.678
   76   2H6     A   7          H62         A   7  -7.473  -3.996  -2.333
   77    H2     A   7           H2         A   7 -10.493  -4.735   1.914
   78   1H5*    A   8          1H5*        A   8 -17.373   0.571  -0.968
   79   2H5*    A   8          2H5*        A   8 -15.655   0.810  -1.340
   80    H4*    A   8           H4*        A   8 -16.993   0.162   1.213
   81    H3*    A   8           H3*        A   8 -14.685   1.889   0.396
   82    H2*    A   8           H2*        A   8 -13.655   1.552   2.549
   83   2HO*    A   8          2HO*        A   8 -15.314   1.564   3.989
   84    H1*    A   8           H1*        A   8 -14.034  -1.189   2.631
   85    H8     A   8           H8         A   8 -13.492  -0.017  -0.939
   86   1H6     A   8          H61         A   8  -7.451  -0.878   0.118
   87   2H6     A   8          H62         A   8  -8.660  -0.523  -1.095
   88    H2     A   8           H2         A   8  -9.629  -1.351   4.012
   89   1H5*    C   9          1H5*        C   9 -15.589   4.567   4.628
   90   2H5*    C   9          2H5*        C   9 -14.820   5.828   3.644
   91    H4*    C   9           H4*        C   9 -13.752   4.835   5.890
   92    H3*    C   9           H3*        C   9 -12.425   6.057   3.501
   93    H2*    C   9           H2*        C   9 -10.263   5.417   4.342
   94   2HO*    C   9          2HO*        C   9  -9.964   4.824   6.440
   95    H1*    C   9           H1*        C   9 -10.964   2.829   5.063
   96   1H4     C   9          H41         C   9 -10.619   2.589  -1.517
   97   2H4     C   9          H42         C   9  -9.010   2.183  -0.938
   98    H5     C   9           H5         C   9 -12.409   3.312  -0.039
   99    H6     C   9           H6         C   9 -13.006   3.787   2.275
  100   1H5*    A  10          1H5*        A  10  -9.857  10.020   6.520
  101   2H5*    A  10          2H5*        A  10  -9.164   9.401   5.010
  102    H4*    A  10           H4*        A  10  -8.408   8.855   7.836
  103    H3*    A  10           H3*        A  10  -6.977   9.803   5.429
  104    H2*    A  10           H2*        A  10  -5.100   8.352   5.723
  105   2HO*    A  10          2HO*        A  10  -6.075   8.332   8.338
  106    H1*    A  10           H1*        A  10  -6.444   6.045   6.383
  107    H8     A  10           H8         A  10  -8.975   7.310   4.137
  108   1H6     A  10          H61         A  10  -5.388   5.813  -0.680
  109   2H6     A  10          H62         A  10  -6.998   6.281  -0.182
  110    H2     A  10           H2         A  10  -2.879   5.629   3.031
  111   1H5*    A  11          1H5*        A  11  -3.229  12.798   6.255
  112   2H5*    A  11          2H5*        A  11  -3.663  11.897   4.790
  113    H4*    A  11           H4*        A  11  -1.513  11.336   6.799
  114    H3*    A  11           H3*        A  11  -1.533  11.932   3.873
  115    H2*    A  11           H2*        A  11   0.196  10.323   3.461
  116   2HO*    A  11          2HO*        A  11   1.148  11.022   5.679
  117    H1*    A  11           H1*        A  11  -0.796   8.316   5.118
  118    H8     A  11           H8         A  11  -3.961   9.480   3.821
  119   1H6     A  11          H61         A  11  -2.699   6.712  -1.572
  120   2H6     A  11          H62         A  11  -3.947   7.463  -0.602
  121    H2     A  11           H2         A  11   1.086   6.881   0.823
  122   1H5*    G  12          1H5*        G  12   2.730  12.115   4.771
  123   2H5*    G  12          2H5*        G  12   3.094  13.822   4.449
  124    H4*    G  12           H4*        G  12   4.771  12.417   3.456
  125    H3*    G  12           H3*        G  12   3.041  13.995   1.599
  126    H2*    G  12           H2*        G  12   4.081  12.964  -0.316
  127   2HO*    G  12          2HO*        G  12   6.164  12.826   1.190
  128    H1*    G  12           H1*        G  12   3.928  10.378   0.598
  129    H8     G  12           H8         G  12   1.066  12.510   1.917
  130    H1     G  12           H1         G  12  -0.032   9.685  -3.736
  131   1H2     G  12          H21         G  12   3.316   8.815  -3.612
  132   2H2     G  12          H22         G  12   1.807   8.751  -4.494
  133   1H5*    G  13          1H5*        G  13   6.908  13.800  -0.263
  134   2H5*    G  13          2H5*        G  13   7.311  15.493  -0.609
  135    H4*    G  13           H4*        G  13   7.596  14.152  -2.585
  136    H3*    G  13           H3*        G  13   5.356  16.150  -2.693
  137    H2*    G  13           H2*        G  13   4.874  15.422  -4.940
  138   2HO*    G  13          2HO*        G  13   6.533  14.779  -6.101
  139    H1*    G  13           H1*        G  13   5.094  12.691  -4.388
  140    H8     G  13           H8         G  13   3.506  14.496  -1.491
  141    H1     G  13           H1         G  13  -0.576  12.835  -6.157
  142   1H2     G  13          H21         G  13   2.262  12.081  -7.971
  143   2H2     G  13          H22         G  13   0.514  12.148  -7.920
  144   1H5*    C  14          1H5*        C  14   7.322  17.311  -6.461
  145   2H5*    C  14          2H5*        C  14   7.749  18.988  -6.071
  146    H4*    C  14           H4*        C  14   6.684  19.127  -8.129
  147    H3*    C  14           H3*        C  14   4.715  19.846  -5.964
  148    H2*    C  14           H2*        C  14   3.099  20.274  -7.705
  149   2HO*    C  14          2HO*        C  14   3.712  20.335  -9.867
  150    H1*    C  14           H1*        C  14   3.722  17.957  -9.166
  151   1H4     C  14          H41         C  14  -0.055  15.947  -4.148
  152   2H4     C  14          H42         C  14  -1.182  16.503  -5.377
  153    H5     C  14           H5         C  14   2.337  16.182  -4.375
  154    H6     C  14           H6         C  14   4.135  17.022  -5.793
  155   1H5*    U  15          1H5*        U  15   3.538  23.215  -8.352
  156   2H5*    U  15          2H5*        U  15   3.630  24.466  -7.097
  157    H4*    U  15           H4*        U  15   1.387  24.218  -8.082
  158    H3*    U  15           H3*        U  15   1.746  23.831  -5.128
  159    H2*    U  15           H2*        U  15  -0.607  23.345  -4.922
  160   2HO*    U  15          2HO*        U  15  -1.702  23.328  -7.196
  161    H1*    U  15           H1*        U  15  -0.706  21.571  -7.035
  162    H3     U  15           H3         U  15  -0.633  18.974  -3.301
  163    H5     U  15           H5         U  15   3.388  19.921  -4.049
  164    H6     U  15           H6         U  15   2.632  21.461  -5.738
  165   1H5*    U  16          1H5*        U  16  -1.066  28.341  -4.032
  166   2H5*    U  16          2H5*        U  16  -1.356  27.197  -2.708
  167    H4*    U  16           H4*        U  16  -3.460  28.034  -3.352
  168    H3*    U  16           H3*        U  16  -3.274  25.430  -3.188
  169    H2*    U  16           H2*        U  16  -2.391  24.974  -5.394
  170   2HO*    U  16          2HO*        U  16  -5.076  25.062  -6.217
  171    H1*    U  16           H1*        U  16  -4.431  26.825  -6.697
  172    H3     U  16           H3         U  16  -2.076  25.524 -10.369
  173    H5     U  16           H5         U  16   0.611  27.803  -8.082
  174    H6     U  16           H6         U  16  -1.023  27.802  -6.309
  175   1H5*    C  17          1H5*        C  17  -6.348  23.616  -4.555
  176   2H5*    C  17          2H5*        C  17  -7.291  23.057  -3.160
  177    H4*    C  17           H4*        C  17  -6.129  21.320  -4.666
  178    H3*    C  17           H3*        C  17  -6.881  20.993  -2.058
  179    H2*    C  17           H2*        C  17  -4.755  21.706  -1.114
  180   2HO*    C  17          2HO*        C  17  -3.747  19.801  -0.469
  181    H1*    C  17           H1*        C  17  -3.449  20.073  -3.382
  182   1H4     C  17          H41         C  17   1.408  24.101  -1.640
  183   2H4     C  17          H42         C  17   1.814  22.593  -0.828
  184    H5     C  17           H5         C  17  -0.702  24.485  -2.729
  185    H6     C  17           H6         C  17  -2.824  23.475  -3.368
  186   1H5*    G  18          1H5*        G  18  -8.416  21.005  -3.643
  187   2H5*    G  18          2H5*        G  18  -9.830  20.340  -2.803
  188    H4*    G  18           H4*        G  18 -11.027  20.725  -4.615
  189    H3*    G  18           H3*        G  18  -9.351  18.502  -5.659
  190    H2*    G  18           H2*        G  18  -9.424  19.235  -7.859
  191   2HO*    G  18          2HO*        G  18 -11.889  18.865  -7.443
  192    H1*    G  18           H1*        G  18 -10.740  21.858  -7.168
  193    H8     G  18           H8         G  18 -10.030  22.810  -9.453
  194    H1     G  18           H1         G  18  -3.888  21.418  -8.202
  195   1H2     G  18          H21         G  18  -5.139  19.687  -5.494
  196   2H2     G  18          H22         G  18  -3.734  20.176  -6.415
  197   1H5*    G  19          1H5*        G  19  -9.247  14.806  -5.935
  198   2H5*    G  19          2H5*        G  19  -8.746  16.494  -5.739
  199    H4*    G  19           H4*        G  19  -9.682  15.750  -8.423
  200    H3*    G  19           H3*        G  19  -7.485  14.195  -7.223
  201    H2*    G  19           H2*        G  19  -5.851  14.820  -8.835
  202   2HO*    G  19          2HO*        G  19  -8.016  14.860 -10.409
  203    H1*    G  19           H1*        G  19  -6.573  17.471  -9.237
  204    H8     G  19           H8         G  19  -6.908  16.431  -5.601
  205    H1     G  19           H1         G  19  -1.102  18.581  -7.259
  206   1H2     G  19          H21         G  19  -2.273  18.430 -10.494
  207   2H2     G  19          H22         G  19  -0.934  18.785  -9.414
  208   1H5*    C  20          1H5*        C  20  -7.751  12.242 -11.212
  209   2H5*    C  20          2H5*        C  20  -7.753  10.500 -10.872
  210    H4*    C  20           H4*        C  20  -5.958  11.181 -12.401
  211    H3*    C  20           H3*        C  20  -5.290   9.839  -9.815
  212    H2*    C  20           H2*        C  20  -2.931  10.102 -10.243
  213   2HO*    C  20          2HO*        C  20  -3.864  10.828 -12.830
  214    H1*    C  20           H1*        C  20  -3.052  12.751 -10.998
  215   1H4     C  20          H41         C  20  -4.198  13.059  -4.530
  216   2H4     C  20          H42         C  20  -2.455  13.037  -4.669
  217    H5     C  20           H5         C  20  -5.667  12.749  -6.390
  218    H6     C  20           H6         C  20  -5.810  12.383  -8.777
  219   1H5*    C  21          1H5*        C  21  -2.357   8.473 -11.817
  220   2H5*    C  21          2H5*        C  21  -2.535   6.720 -12.028
  221    H4*    C  21           H4*        C  21  -0.351   7.108 -11.220
  222    H3*    C  21           H3*        C  21  -2.177   5.958  -9.125
  223    H2*    C  21           H2*        C  21  -0.366   6.008  -7.557
  224   2HO*    C  21          2HO*        C  21   1.784   6.631  -8.418
  225    H1*    C  21           H1*        C  21   0.699   8.487  -8.435
  226   1H4     C  21          H41         C  21  -4.059   9.974  -4.113
  227   2H4     C  21          H42         C  21  -2.656   9.603  -3.125
  228    H5     C  21           H5         C  21  -4.084   9.659  -6.518
  229    H6     C  21           H6         C  21  -2.776   8.937  -8.450
  230   1H5*    U  22          1H5*        U  22   0.405   3.905  -8.153
  231   2H5*    U  22          2H5*        U  22   0.057   2.180  -7.929
  232    H4*    U  22           H4*        U  22   0.597   3.524  -5.857
  233    H3*    U  22           H3*        U  22  -1.724   1.666  -6.104
  234    H2*    U  22           H2*        U  22  -2.590   2.337  -3.969
  235   2HO*    U  22          2HO*        U  22  -0.204   2.563  -3.236
  236    H1*    U  22           H1*        U  22  -2.250   5.062  -4.300
  237    H3     U  22           H3         U  22  -6.665   3.754  -4.828
  238    H5     U  22           H5         U  22  -4.981   4.082  -8.661
  239    H6     U  22           H6         U  22  -2.822   4.269  -7.612
  240   1H5*    G  23          1H5*        G  23   1.608   0.507  -2.115
  241   2H5*    G  23          2H5*        G  23   0.602  -0.876  -1.642
  242    H4*    G  23           H4*        G  23   1.421   1.005   0.069
  243    H3*    G  23           H3*        G  23  -1.038  -0.705   0.146
  244    H2*    G  23           H2*        G  23  -1.864   0.552   2.029
  245   2HO*    G  23          2HO*        G  23  -0.558   1.829   3.222
  246    H1*    G  23           H1*        G  23  -1.318   3.056   0.971
  247    H8     G  23           H8         G  23  -2.170   1.172  -2.055
  248    H1     G  23           H1         G  23  -7.323   2.469   1.541
  249   1H2     G  23          H21         G  23  -5.029   3.287   3.995
  250   2H2     G  23          H22         G  23  -6.711   3.149   3.533
  251   1H5*    C  24          1H5*        C  24  -2.132  -2.759   3.926
  252   2H5*    C  24          2H5*        C  24  -2.670  -1.165   3.363
  253    H4*    C  24           H4*        C  24  -1.114  -1.150   5.858
  254    H3*    C  24           H3*        C  24  -3.723  -2.645   5.765
  255    H2*    C  24           H2*        C  24  -4.352  -1.597   7.834
  256   2HO*    C  24          2HO*        C  24  -2.651  -1.462   9.144
  257    H1*    C  24           H1*        C  24  -3.379   0.956   7.147
  258   1H4     C  24          H41         C  24  -9.248   0.566   4.194
  259   2H4     C  24          H42         C  24  -9.595   1.075   5.838
  260    H5     C  24           H5         C  24  -7.030  -0.076   3.465
  261    H6     C  24           H6         C  24  -4.709  -0.368   4.159
  262   1H5*    U  25          1H5*        U  25  -4.214  -4.271   8.550
  263   2H5*    U  25          2H5*        U  25  -4.196  -6.029   8.313
  264    H4*    U  25           H4*        U  25  -6.429  -5.075   8.821
  265    H3*    U  25           H3*        U  25  -6.004  -6.680   6.319
  266    H2*    U  25           H2*        U  25  -8.334  -6.336   5.752
  267   2HO*    U  25          2HO*        U  25  -9.506  -6.319   7.572
  268    H1*    U  25           H1*        U  25  -8.296  -3.614   6.193
  269    H3     U  25           H3         U  25  -7.982  -4.057   1.683
  270    H5     U  25           H5         U  25  -4.055  -4.503   3.092
  271    H6     U  25           H6         U  25  -4.944  -4.556   5.330
  272   1H5*    U  26          1H5*        U  26  -9.475  -8.808   7.881
  273   2H5*    U  26          2H5*        U  26  -9.133 -10.509   7.514
  274    H4*    U  26           H4*        U  26 -11.219  -9.625   6.494
  275    H3*    U  26           H3*        U  26  -9.087 -10.779   4.703
  276    H2*    U  26           H2*        U  26 -10.555 -10.387   2.838
  277   2HO*    U  26          2HO*        U  26 -12.725  -9.927   3.140
  278    H1*    U  26           H1*        U  26 -11.452  -7.862   3.763
  279    H3     U  26           H3         U  26  -9.053  -7.370  -0.125
  280    H5     U  26           H5         U  26  -6.279  -7.162   3.021
  281    H6     U  26           H6         U  26  -8.025  -7.892   4.507
  282   1H5*    U  27          1H5*        U  27 -12.871 -12.931   3.832
  283   2H5*    U  27          2H5*        U  27 -12.414 -14.590   3.399
  284    H4*    U  27           H4*        U  27 -13.808 -13.422   1.708
  285    H3*    U  27           H3*        U  27 -11.133 -14.554   0.948
  286    H2*    U  27           H2*        U  27 -11.482 -13.762  -1.313
  287   2HO*    U  27          2HO*        U  27 -13.581 -13.902  -1.815
  288    H1*    U  27           H1*        U  27 -12.220 -11.206  -0.561
  289    H3     U  27           H3         U  27  -7.873 -10.880  -1.835
  290    H5     U  27           H5         U  27  -7.732 -12.232   2.137
  291    H6     U  27           H6         U  27 -10.114 -12.550   2.030
  292   1H5*    U  28          1H5*        U  28 -14.190 -16.689  -1.831
  293   2H5*    U  28          2H5*        U  28 -13.473 -18.304  -1.992
  294    H4*    U  28           H4*        U  28 -14.026 -17.217  -4.144
  295    H3*    U  28           H3*        U  28 -11.194 -18.070  -3.608
  296    H2*    U  28           H2*        U  28 -10.602 -17.274  -5.817
  297   2HO*    U  28          2HO*        U  28 -13.344 -17.462  -6.140
  298    H1*    U  28           H1*        U  28 -11.871 -14.828  -5.529
  299    H3     U  28           H3         U  28  -7.419 -14.070  -4.899
  300    H5     U  28           H5         U  28  -8.896 -15.243  -1.148
  301    H6     U  28           H6         U  28 -10.964 -15.826  -2.230
  302   1H5*    G  29          1H5*        G  29 -11.296 -21.014  -6.650
  303   2H5*    G  29          2H5*        G  29 -10.670 -22.469  -5.851
  304    H4*    G  29           H4*        G  29  -9.189 -21.647  -7.623
  305    H3*    G  29           H3*        G  29  -8.103 -21.706  -4.816
  306    H2*    G  29           H2*        G  29  -6.062 -20.778  -5.604
  307   2HO*    G  29          2HO*        G  29  -6.976 -21.707  -8.141
  308    H1*    G  29           H1*        G  29  -7.255 -19.282  -7.776
  309    H8     G  29           H8         G  29  -8.796 -18.342  -4.528
  310    H1     G  29           H1         G  29  -3.124 -15.535  -5.568
  311   1H2     G  29          H21         G  29  -2.813 -17.792  -8.172
  312   2H2     G  29          H22         G  29  -2.111 -16.465  -7.276
  313   1H5*    C  30          1H5*        C  30  -5.180 -23.544  -7.706
  314   2H5*    C  30          2H5*        C  30  -4.473 -24.893  -6.795
  315    H4*    C  30           H4*        C  30  -2.816 -23.361  -7.827
  316    H3*    C  30           H3*        C  30  -2.764 -23.887  -4.873
  317    H2*    C  30           H2*        C  30  -0.907 -22.368  -4.645
  318   2HO*    C  30          2HO*        C  30  -0.456 -23.103  -7.155
  319    H1*    C  30           H1*        C  30  -1.977 -20.362  -6.252
  320   1H4     C  30          H41         C  30  -5.389 -19.989  -0.623
  321   2H4     C  30          H42         C  30  -4.099 -18.811  -0.483
  322    H5     C  30           H5         C  30  -5.574 -21.527  -2.471
  323    H6     C  30           H6         C  30  -4.584 -22.233  -4.584
  324   1H5*    U  31          1H5*        U  31   1.194 -23.621  -6.374
  325   2H5*    U  31          2H5*        U  31   2.101 -25.013  -5.751
  326    H4*    U  31           H4*        U  31   3.228 -22.840  -5.406
  327    H3*    U  31           H3*        U  31   2.564 -24.535  -3.012
  328    H2*    U  31           H2*        U  31   3.581 -22.874  -1.609
  329   2HO*    U  31          2HO*        U  31   5.361 -22.130  -2.568
  330    H1*    U  31           H1*        U  31   2.510 -20.663  -3.000
  331    H3     U  31           H3         U  31   0.425 -20.582   1.019
  332    H5     U  31           H5         U  31  -1.544 -23.594  -1.149
  333    H6     U  31           H6         U  31   0.146 -23.372  -2.847
  334    H3T    U  31           H3T        U  31   4.381 -24.534  -4.874
  Start of MODEL    4
    1   1H5*    A   1          1H5*        A   1  -4.329  -9.844   6.654
    2   2H5*    A   1          2H5*        A   1  -4.259 -11.097   7.907
    3    H4*    A   1           H4*        A   1  -1.824  -9.494   7.689
    4    H3*    A   1           H3*        A   1  -2.768 -10.947   5.241
    5    H2*    A   1           H2*        A   1  -0.549 -11.849   4.939
    6   2HO*    A   1          2HO*        A   1   1.006 -10.523   5.553
    7    H1*    A   1           H1*        A   1  -0.199 -12.605   7.585
    8    H8     A   1           H8         A   1  -3.767 -13.259   7.273
    9   1H6     A   1          H61         A   1  -2.448 -18.385   4.061
   10   2H6     A   1          H62         A   1  -3.701 -17.507   4.909
   11    H2     A   1           H2         A   1   1.285 -15.918   4.337
   12    H5T    A   1           H5T        A   1  -3.737  -8.318   8.204
   13   1H5*    G   2          1H5*        G   2   0.470  -8.529   3.690
   14   2H5*    G   2          2H5*        G   2  -0.039  -7.803   2.153
   15    H4*    G   2           H4*        G   2   2.060  -9.126   2.035
   16    H3*    G   2           H3*        G   2  -0.256  -9.789   0.244
   17    H2*    G   2           H2*        G   2   1.007 -11.617  -0.690
   18   2HO*    G   2          2HO*        G   2   3.071 -10.063   0.099
   19    H1*    G   2           H1*        G   2   2.007 -12.549   1.756
   20    H8     G   2           H8         G   2  -1.320 -11.703   2.851
   21    H1     G   2           H1         G   2  -1.383 -16.793  -1.050
   22   1H2     G   2          H21         G   2   1.829 -15.817  -1.894
   23   2H2     G   2          H22         G   2   0.523 -16.957  -2.125
   24   1H5*    U   3          1H5*        U   3   2.931  -8.821  -2.850
   25   2H5*    U   3          2H5*        U   3   2.025  -7.839  -4.017
   26    H4*    U   3           H4*        U   3   3.097  -9.667  -5.145
   27    H3*    U   3           H3*        U   3   0.092  -9.879  -5.025
   28    H2*    U   3           H2*        U   3   0.296 -11.872  -6.392
   29   2HO*    U   3          2HO*        U   3   3.098 -11.744  -6.394
   30    H1*    U   3           H1*        U   3   2.339 -12.967  -4.842
   31    H3     U   3           H3         U   3  -1.345 -15.353  -3.711
   32    H5     U   3           H5         U   3  -1.693 -11.769  -1.550
   33    H6     U   3           H6         U   3   0.200 -10.934  -2.778
   34   1H5*    A   4          1H5*        A   4   0.653  -9.387  -9.530
   35   2H5*    A   4          2H5*        A   4  -0.691  -8.306  -9.946
   36    H4*    A   4           H4*        A   4  -0.671 -10.366 -11.274
   37    H3*    A   4           H3*        A   4  -3.060  -9.796  -9.550
   38    H2*    A   4           H2*        A   4  -4.059 -11.874 -10.325
   39   2HO*    A   4          2HO*        A   4  -3.469 -12.494 -12.277
   40    H1*    A   4           H1*        A   4  -1.844 -13.401  -9.760
   41    H8     A   4           H8         A   4  -1.371 -10.814  -7.235
   42   1H6     A   4          H61         A   4  -5.831 -13.413  -3.829
   43   2H6     A   4          H62         A   4  -4.511 -12.265  -3.834
   44    H2     A   4           H2         A   4  -6.029 -15.170  -7.954
   45   1H5*    G   5          1H5*        G   5  -5.476  -9.297 -13.135
   46   2H5*    G   5          2H5*        G   5  -6.380  -7.805 -12.812
   47    H4*    G   5           H4*        G   5  -7.798  -9.814 -13.010
   48    H3*    G   5           H3*        G   5  -7.874  -8.255 -10.435
   49    H2*    G   5           H2*        G   5  -9.570  -9.793  -9.652
   50   2HO*    G   5          2HO*        G   5 -10.057 -10.049 -12.241
   51    H1*    G   5           H1*        G   5  -8.200 -12.081 -10.467
   52    H8     G   5           H8         G   5  -5.395 -10.018  -9.422
   53    H1     G   5           H1         G   5  -8.929 -11.949  -4.426
   54   1H2     G   5          H21         G   5 -11.298 -12.770  -6.796
   55   2H2     G   5          H22         G   5 -10.856 -12.711  -5.104
   56   1H5*    A   6          1H5*        A   6 -11.538  -9.394 -10.961
   57   2H5*    A   6          2H5*        A   6 -12.615  -7.998 -11.146
   58    H4*    A   6           H4*        A   6 -13.423  -9.718  -9.558
   59    H3*    A   6           H3*        A   6 -13.808  -7.058  -9.280
   60    H2*    A   6           H2*        A   6 -11.952  -6.592  -7.814
   61   2HO*    A   6          2HO*        A   6 -14.191  -6.494  -6.682
   62    H1*    A   6           H1*        A   6 -12.485  -9.233  -6.346
   63    H8     A   6           H8         A   6  -9.381  -8.008  -8.244
   64   1H6     A   6          H61         A   6  -6.693  -7.534  -2.686
   65   2H6     A   6          H62         A   6  -6.458  -7.418  -4.420
   66    H2     A   6           H2         A   6 -10.980  -8.729  -2.066
   67   1H5*    A   7          1H5*        A   7 -15.835  -8.567  -5.294
   68   2H5*    A   7          2H5*        A   7 -17.273  -7.537  -5.155
   69    H4*    A   7           H4*        A   7 -16.154  -7.393  -3.097
   70    H3*    A   7           H3*        A   7 -15.680  -4.909  -4.731
   71    H2*    A   7           H2*        A   7 -14.206  -4.111  -3.068
   72   2HO*    A   7          2HO*        A   7 -15.071  -5.918  -1.106
   73    H1*    A   7           H1*        A   7 -13.632  -6.803  -1.985
   74    H8     A   7           H8         A   7 -12.365  -5.857  -5.444
   75   1H6     A   7          H61         A   7  -7.082  -4.338  -2.579
   76   2H6     A   7          H62         A   7  -7.852  -4.571  -4.135
   77    H2     A   7           H2         A   7 -10.178  -5.168   0.548
   78   1H5*    A   8          1H5*        A   8 -18.643  -2.640  -0.916
   79   2H5*    A   8          2H5*        A   8 -17.804  -1.165  -1.436
   80    H4*    A   8           H4*        A   8 -17.682  -2.371   1.059
   81    H3*    A   8           H3*        A   8 -16.110  -0.156  -0.205
   82    H2*    A   8           H2*        A   8 -14.471  -0.300   1.556
   83   2HO*    A   8          2HO*        A   8 -16.339  -0.886   3.099
   84    H1*    A   8           H1*        A   8 -14.239  -3.062   1.517
   85    H8     A   8           H8         A   8 -14.909  -2.109  -2.022
   86   1H6     A   8          H61         A   8  -8.859  -0.904  -2.558
   87   2H6     A   8          H62         A   8 -10.364  -1.111  -3.427
   88    H2     A   8           H2         A   8  -9.783  -1.485   1.792
   89   1H5*    C   9          1H5*        C   9 -16.622   2.365   4.406
   90   2H5*    C   9          2H5*        C   9 -16.180   3.645   3.259
   91    H4*    C   9           H4*        C   9 -14.650   2.754   5.351
   92    H3*    C   9           H3*        C   9 -13.994   4.395   2.938
   93    H2*    C   9           H2*        C   9 -11.639   4.127   3.351
   94   2HO*    C   9          2HO*        C   9 -10.976   3.860   5.355
   95    H1*    C   9           H1*        C   9 -11.717   1.405   3.872
   96   1H4     C   9          H41         C   9 -12.565   1.737  -2.657
   97   2H4     C   9          H42         C   9 -10.827   1.663  -2.407
   98    H5     C   9           H5         C   9 -14.153   1.934  -0.826
   99    H6     C   9           H6         C   9 -14.386   2.093   1.595
  100   1H5*    A  10          1H5*        A  10 -11.016   7.936   6.007
  101   2H5*    A  10          2H5*        A  10 -10.833   7.840   4.244
  102    H4*    A  10           H4*        A  10  -9.231   6.569   6.412
  103    H3*    A  10           H3*        A  10  -8.617   8.314   4.093
  104    H2*    A  10           H2*        A  10  -6.687   7.052   3.451
  105   2HO*    A  10          2HO*        A  10  -5.561   6.279   5.081
  106    H1*    A  10           H1*        A  10  -7.749   4.527   3.734
  107    H8     A  10           H8         A  10 -10.807   6.118   2.632
  108   1H6     A  10          H61         A  10  -8.542   6.344  -3.124
  109   2H6     A  10          H62         A  10  -9.979   6.503  -2.139
  110    H2     A  10           H2         A  10  -5.159   5.402  -0.335
  111   1H5*    A  11          1H5*        A  11  -4.127  10.854   5.869
  112   2H5*    A  11          2H5*        A  11  -4.583  10.584   4.176
  113    H4*    A  11           H4*        A  11  -2.546   9.175   5.852
  114    H3*    A  11           H3*        A  11  -2.463  10.666   3.264
  115    H2*    A  11           H2*        A  11  -0.897   9.106   2.335
  116   2HO*    A  11          2HO*        A  11   0.428   8.000   3.605
  117    H1*    A  11           H1*        A  11  -2.101   6.784   3.298
  118    H8     A  11           H8         A  11  -5.103   8.646   2.472
  119   1H6     A  11          H61         A  11  -4.069   7.486  -3.519
  120   2H6     A  11          H62         A  11  -5.238   8.052  -2.347
  121    H2     A  11           H2         A  11  -0.337   6.481  -1.245
  122   1H5*    G  12          1H5*        G  12   1.871  10.255   4.316
  123   2H5*    G  12          2H5*        G  12   2.469  11.907   4.066
  124    H4*    G  12           H4*        G  12   3.787  10.192   2.890
  125    H3*    G  12           H3*        G  12   2.509  12.423   1.359
  126    H2*    G  12           H2*        G  12   3.279  11.473  -0.718
  127   2HO*    G  12          2HO*        G  12   4.820   9.903  -0.777
  128    H1*    G  12           H1*        G  12   2.498   8.888  -0.180
  129    H8     G  12           H8         G  12   0.213  11.460   1.449
  130    H1     G  12           H1         G  12  -1.426   9.745  -4.511
  131   1H2     G  12          H21         G  12   1.606   8.080  -4.547
  132   2H2     G  12          H22         G  12   0.141   8.500  -5.406
  133   1H5*    G  13          1H5*        G  13   6.223  11.496  -0.588
  134   2H5*    G  13          2H5*        G  13   7.091  13.043  -0.625
  135    H4*    G  13           H4*        G  13   7.141  12.040  -2.800
  136    H3*    G  13           H3*        G  13   5.498  14.544  -2.581
  137    H2*    G  13           H2*        G  13   4.955  14.354  -4.924
  138   2HO*    G  13          2HO*        G  13   7.107  12.535  -4.848
  139    H1*    G  13           H1*        G  13   4.381  11.632  -4.849
  140    H8     G  13           H8         G  13   3.292  13.243  -1.626
  141    H1     G  13           H1         G  13  -0.982  13.649  -6.394
  142   1H2     G  13          H21         G  13   1.580  12.487  -8.397
  143   2H2     G  13          H22         G  13  -0.083  13.018  -8.285
  144   1H5*    C  14          1H5*        C  14   7.547  15.765  -6.043
  145   2H5*    C  14          2H5*        C  14   8.528  17.120  -5.452
  146    H4*    C  14           H4*        C  14   7.484  18.021  -7.293
  147    H3*    C  14           H3*        C  14   5.832  18.758  -4.882
  148    H2*    C  14           H2*        C  14   4.362  19.961  -6.366
  149   2HO*    C  14          2HO*        C  14   6.609  20.080  -7.860
  150    H1*    C  14           H1*        C  14   4.327  17.949  -8.337
  151   1H4     C  14          H41         C  14   0.109  16.003  -3.656
  152   2H4     C  14          H42         C  14  -0.827  17.039  -4.722
  153    H5     C  14           H5         C  14   2.491  15.691  -3.897
  154    H6     C  14           H6         C  14   4.461  16.299  -5.193
  155   1H5*    U  15          1H5*        U  15   5.605  22.768  -6.015
  156   2H5*    U  15          2H5*        U  15   5.716  23.515  -4.409
  157    H4*    U  15           H4*        U  15   3.486  23.603  -5.703
  158    H3*    U  15           H3*        U  15   3.762  22.999  -2.776
  159    H2*    U  15           H2*        U  15   1.365  22.709  -2.650
  160   2HO*    U  15          2HO*        U  15   1.266  24.396  -4.575
  161    H1*    U  15           H1*        U  15   1.214  21.022  -4.820
  162    H3     U  15           H3         U  15   1.116  18.443  -1.034
  163    H5     U  15           H5         U  15   5.166  18.828  -2.076
  164    H6     U  15           H6         U  15   4.515  20.495  -3.684
  165   1H5*    U  16          1H5*        U  16   2.145  27.668  -0.755
  166   2H5*    U  16          2H5*        U  16   1.483  26.321   0.192
  167    H4*    U  16           H4*        U  16  -0.213  27.973  -0.054
  168    H3*    U  16           H3*        U  16  -0.880  25.485  -0.481
  169    H2*    U  16           H2*        U  16  -0.179  25.277  -2.784
  170   2HO*    U  16          2HO*        U  16  -2.271  24.672  -3.043
  171    H1*    U  16           H1*        U  16  -1.474  27.920  -3.553
  172    H3     U  16           H3         U  16   0.491  26.706  -7.487
  173    H5     U  16           H5         U  16   3.656  27.628  -4.884
  174    H6     U  16           H6         U  16   2.044  27.752  -3.097
  175   1H5*    C  17          1H5*        C  17  -3.996  24.932  -2.287
  176   2H5*    C  17          2H5*        C  17  -5.253  24.455  -1.129
  177    H4*    C  17           H4*        C  17  -4.552  22.730  -2.842
  178    H3*    C  17           H3*        C  17  -5.495  22.195  -0.339
  179    H2*    C  17           H2*        C  17  -3.310  22.051   0.720
  180   2HO*    C  17          2HO*        C  17  -3.001  19.480  -0.114
  181    H1*    C  17           H1*        C  17  -2.415  20.533  -1.811
  182   1H4     C  17          H41         C  17   3.293  22.563   0.674
  183   2H4     C  17          H42         C  17   3.214  20.871   1.145
  184    H5     C  17           H5         C  17   1.440  23.759  -0.281
  185    H6     C  17           H6         C  17  -0.841  23.558  -1.113
  186   1H5*    G  18          1H5*        G  18  -6.830  22.788  -2.043
  187   2H5*    G  18          2H5*        G  18  -8.408  22.586  -1.260
  188    H4*    G  18           H4*        G  18  -9.434  23.341  -3.059
  189    H3*    G  18           H3*        G  18  -8.210  20.968  -4.366
  190    H2*    G  18           H2*        G  18  -7.981  22.003  -6.435
  191   2HO*    G  18          2HO*        G  18 -10.052  22.169  -7.038
  192    H1*    G  18           H1*        G  18  -8.735  24.728  -5.391
  193    H8     G  18           H8         G  18  -7.665  25.830  -7.465
  194    H1     G  18           H1         G  18  -2.109  22.843  -6.269
  195   1H2     G  18          H21         G  18  -3.904  21.085  -3.905
  196   2H2     G  18          H22         G  18  -2.365  21.357  -4.693
  197   1H5*    G  19          1H5*        G  19  -8.849  17.486  -5.308
  198   2H5*    G  19          2H5*        G  19  -8.050  19.013  -4.896
  199    H4*    G  19           H4*        G  19  -9.102  18.905  -7.619
  200    H3*    G  19           H3*        G  19  -7.368  16.679  -6.779
  201    H2*    G  19           H2*        G  19  -5.607  17.150  -8.305
  202   2HO*    G  19          2HO*        G  19  -7.427  17.638  -9.951
  203    H1*    G  19           H1*        G  19  -5.631  19.918  -8.234
  204    H8     G  19           H8         G  19  -6.298  18.272  -4.856
  205    H1     G  19           H1         G  19  -0.135  19.483  -6.130
  206   1H2     G  19          H21         G  19  -1.236  20.271  -9.298
  207   2H2     G  19          H22         G  19   0.124  20.113  -8.200
  208   1H5*    C  20          1H5*        C  20  -8.062  15.761 -10.983
  209   2H5*    C  20          2H5*        C  20  -8.546  14.059 -11.112
  210    H4*    C  20           H4*        C  20  -6.619  14.565 -12.510
  211    H3*    C  20           H3*        C  20  -6.330  12.549 -10.324
  212    H2*    C  20           H2*        C  20  -3.977  12.315 -10.782
  213   2HO*    C  20          2HO*        C  20  -4.636  13.841 -13.097
  214    H1*    C  20           H1*        C  20  -3.416  15.010 -10.952
  215   1H4     C  20          H41         C  20  -4.483  14.179  -4.516
  216   2H4     C  20          H42         C  20  -2.787  13.811  -4.742
  217    H5     C  20           H5         C  20  -5.988  14.605  -6.329
  218    H6     C  20           H6         C  20  -6.200  14.819  -8.733
  219   1H5*    C  21          1H5*        C  21  -3.771  11.007 -12.702
  220   2H5*    C  21          2H5*        C  21  -4.433   9.497 -13.360
  221    H4*    C  21           H4*        C  21  -2.272   8.977 -12.629
  222    H3*    C  21           H3*        C  21  -4.357   7.984 -10.709
  223    H2*    C  21           H2*        C  21  -2.625   7.136  -9.285
  224   2HO*    C  21          2HO*        C  21  -0.938   7.641 -11.535
  225    H1*    C  21           H1*        C  21  -0.863   9.319  -9.630
  226   1H4     C  21          H41         C  21  -5.107  11.197  -4.946
  227   2H4     C  21          H42         C  21  -3.875  10.275  -4.098
  228    H5     C  21           H5         C  21  -5.182  11.374  -7.362
  229    H6     C  21           H6         C  21  -4.090  10.708  -9.446
  230   1H5*    U  22          1H5*        U  22  -1.980   5.185 -10.736
  231   2H5*    U  22          2H5*        U  22  -2.626   3.533 -10.743
  232    H4*    U  22           H4*        U  22  -1.337   4.461  -8.672
  233    H3*    U  22           H3*        U  22  -3.699   2.632  -8.692
  234    H2*    U  22           H2*        U  22  -3.910   2.787  -6.303
  235   2HO*    U  22          2HO*        U  22  -2.298   3.761  -5.052
  236    H1*    U  22           H1*        U  22  -3.606   5.533  -6.124
  237    H3     U  22           H3         U  22  -8.042   4.376  -5.647
  238    H5     U  22           H5         U  22  -7.447   5.253  -9.711
  239    H6     U  22           H6         U  22  -5.080   5.280  -9.280
  240   1H5*    G  23          1H5*        G  23  -0.776  -0.666  -5.089
  241   2H5*    G  23          2H5*        G  23  -2.541  -0.512  -4.993
  242    H4*    G  23           H4*        G  23  -0.414   0.836  -3.384
  243    H3*    G  23           H3*        G  23  -2.773  -0.872  -2.739
  244    H2*    G  23           H2*        G  23  -3.292   0.444  -0.796
  245   2HO*    G  23          2HO*        G  23  -1.021   2.077  -1.282
  246    H1*    G  23           H1*        G  23  -3.019   2.920  -1.985
  247    H8     G  23           H8         G  23  -4.243   1.054  -4.858
  248    H1     G  23           H1         G  23  -8.849   1.968  -0.491
  249   1H2     G  23          H21         G  23  -6.257   2.833   1.632
  250   2H2     G  23          H22         G  23  -7.980   2.615   1.414
  251   1H5*    C  24          1H5*        C  24  -2.652  -2.499   1.789
  252   2H5*    C  24          2H5*        C  24  -3.356  -1.146   0.883
  253    H4*    C  24           H4*        C  24  -1.223  -0.313   2.675
  254    H3*    C  24           H3*        C  24  -3.493  -1.851   3.905
  255    H2*    C  24           H2*        C  24  -3.619  -0.188   5.646
  256   2HO*    C  24          2HO*        C  24  -1.778   0.734   6.182
  257    H1*    C  24           H1*        C  24  -3.457   1.999   3.922
  258   1H4     C  24          H41         C  24  -9.628  -0.108   3.088
  259   2H4     C  24          H42         C  24  -9.658   0.661   4.665
  260    H5     C  24           H5         C  24  -7.589  -0.469   1.842
  261    H6     C  24           H6         C  24  -5.169  -0.176   1.849
  262   1H5*    U  25          1H5*        U  25  -3.418  -2.668   6.383
  263   2H5*    U  25          2H5*        U  25  -3.450  -4.413   6.704
  264    H4*    U  25           H4*        U  25  -5.660  -3.293   6.845
  265    H3*    U  25           H3*        U  25  -5.287  -5.579   4.922
  266    H2*    U  25           H2*        U  25  -7.628  -5.367   4.350
  267   2HO*    U  25          2HO*        U  25  -9.021  -4.238   5.603
  268    H1*    U  25           H1*        U  25  -7.563  -2.585   4.128
  269    H3     U  25           H3         U  25  -7.851  -4.117  -0.135
  270    H5     U  25           H5         U  25  -3.769  -4.302   0.828
  271    H6     U  25           H6         U  25  -4.363  -3.813   3.109
  272   1H5*    U  26          1H5*        U  26  -8.561  -7.350   7.088
  273   2H5*    U  26          2H5*        U  26  -8.124  -9.067   7.194
  274    H4*    U  26           H4*        U  26 -10.223  -8.660   5.971
  275    H3*    U  26           H3*        U  26  -7.967  -9.977   4.463
  276    H2*    U  26           H2*        U  26  -9.461 -10.175   2.592
  277   2HO*    U  26          2HO*        U  26 -11.472  -9.426   4.481
  278    H1*    U  26           H1*        U  26 -10.654  -7.618   2.981
  279    H3     U  26           H3         U  26  -8.480  -7.744  -1.060
  280    H5     U  26           H5         U  26  -5.621  -6.574   1.785
  281    H6     U  26           H6         U  26  -7.212  -7.136   3.501
  282   1H5*    U  27          1H5*        U  27 -11.504 -12.606   4.313
  283   2H5*    U  27          2H5*        U  27 -10.948 -14.285   4.167
  284    H4*    U  27           H4*        U  27 -12.509 -13.551   2.382
  285    H3*    U  27           H3*        U  27  -9.791 -14.605   1.647
  286    H2*    U  27           H2*        U  27 -10.376 -14.312  -0.681
  287   2HO*    U  27          2HO*        U  27 -12.472 -13.749  -1.284
  288    H1*    U  27           H1*        U  27 -11.360 -11.734  -0.352
  289    H3     U  27           H3         U  27  -7.273 -11.197  -2.231
  290    H5     U  27           H5         U  27  -6.496 -11.798   1.851
  291    H6     U  27           H6         U  27  -8.812 -12.386   2.125
  292   1H5*    U  28          1H5*        U  28 -12.904 -17.418  -0.415
  293   2H5*    U  28          2H5*        U  28 -12.108 -18.990  -0.214
  294    H4*    U  28           H4*        U  28 -12.868 -18.625  -2.501
  295    H3*    U  28           H3*        U  28  -9.904 -18.920  -2.077
  296    H2*    U  28           H2*        U  28  -9.623 -18.737  -4.479
  297   2HO*    U  28          2HO*        U  28 -11.867 -19.818  -4.721
  298    H1*    U  28           H1*        U  28 -11.179 -16.461  -4.696
  299    H3     U  28           H3         U  28  -6.832 -15.080  -4.742
  300    H5     U  28           H5         U  28  -7.863 -15.380  -0.682
  301    H6     U  28           H6         U  28  -9.910 -16.449  -1.361
  302   1H5*    G  29          1H5*        G  29  -9.889 -22.682  -4.136
  303   2H5*    G  29          2H5*        G  29  -8.916 -23.724  -3.080
  304    H4*    G  29           H4*        G  29  -7.885 -23.269  -5.283
  305    H3*    G  29           H3*        G  29  -6.369 -22.442  -2.811
  306    H2*    G  29           H2*        G  29  -4.617 -21.649  -4.225
  307   2HO*    G  29          2HO*        G  29  -5.826 -23.439  -6.045
  308    H1*    G  29           H1*        G  29  -6.375 -20.826  -6.363
  309    H8     G  29           H8         G  29  -7.543 -19.232  -3.251
  310    H1     G  29           H1         G  29  -2.366 -16.367  -5.730
  311   1H2     G  29          H21         G  29  -2.125 -19.184  -7.721
  312   2H2     G  29          H22         G  29  -1.464 -17.625  -7.280
  313   1H5*    C  30          1H5*        C  30  -3.262 -24.298  -4.958
  314   2H5*    C  30          2H5*        C  30  -2.593 -25.471  -3.807
  315    H4*    C  30           H4*        C  30  -0.829 -24.087  -4.623
  316    H3*    C  30           H3*        C  30  -1.539 -23.669  -1.739
  317    H2*    C  30           H2*        C  30   0.120 -21.935  -1.581
  318   2HO*    C  30          2HO*        C  30   0.883 -22.668  -4.239
  319    H1*    C  30           H1*        C  30  -0.508 -20.699  -4.008
  320   1H4     C  30          H41         C  30  -5.237 -18.809   0.185
  321   2H4     C  30          H42         C  30  -4.065 -17.504   0.150
  322    H5     C  30           H5         C  30  -4.909 -20.904  -0.966
  323    H6     C  30           H6         C  30  -3.401 -22.180  -2.394
  324   1H5*    U  31          1H5*        U  31   2.636 -23.524  -1.676
  325   2H5*    U  31          2H5*        U  31   3.123 -24.936  -0.718
  326    H4*    U  31           H4*        U  31   4.388 -23.095   0.049
  327    H3*    U  31           H3*        U  31   2.220 -23.888   1.975
  328    H2*    U  31           H2*        U  31   2.945 -22.134   3.450
  329   2HO*    U  31          2HO*        U  31   5.288 -22.635   2.402
  330    H1*    U  31           H1*        U  31   3.307 -20.218   1.424
  331    H3     U  31           H3         U  31  -0.351 -18.579   3.445
  332    H5     U  31           H5         U  31  -1.743 -22.052   1.539
  333    H6     U  31           H6         U  31   0.537 -22.550   0.948
  334    H3T    U  31           H3T        U  31   3.897 -25.276   1.719
  Start of MODEL    5
    1   1H5*    A   1          1H5*        A   1  -3.067 -12.818   9.442
    2   2H5*    A   1          2H5*        A   1  -3.535 -12.259   7.826
    3    H4*    A   1           H4*        A   1  -1.075 -12.099   8.532
    4    H3*    A   1           H3*        A   1  -2.086 -13.011   5.876
    5    H2*    A   1           H2*        A   1   0.137 -13.641   5.180
    6   2HO*    A   1          2HO*        A   1   1.858 -12.760   6.102
    7    H1*    A   1           H1*        A   1   0.788 -15.037   7.458
    8    H8     A   1           H8         A   1  -2.759 -15.743   7.553
    9   1H6     A   1          H61         A   1  -2.041 -19.770   2.906
   10   2H6     A   1          H62         A   1  -3.118 -19.206   4.163
   11    H2     A   1           H2         A   1   1.685 -17.286   3.184
   12    H5T    A   1           H5T        A   1  -3.626 -14.764   8.915
   13   1H5*    G   2          1H5*        G   2   0.955 -10.477   4.758
   14   2H5*    G   2          2H5*        G   2   0.520  -9.461   3.370
   15    H4*    G   2           H4*        G   2   2.469 -10.957   3.000
   16    H3*    G   2           H3*        G   2   0.095 -11.076   1.165
   17    H2*    G   2           H2*        G   2   1.170 -12.836  -0.078
   18   2HO*    G   2          2HO*        G   2   3.308 -13.078  -0.043
   19    H1*    G   2           H1*        G   2   2.065 -14.259   2.160
   20    H8     G   2           H8         G   2  -1.166 -13.284   3.429
   21    H1     G   2           H1         G   2  -1.735 -17.585  -1.293
   22   1H2     G   2          H21         G   2   1.565 -16.820  -1.998
   23   2H2     G   2          H22         G   2   0.147 -17.761  -2.403
   24   1H5*    U   3          1H5*        U   3   3.387  -9.902  -1.767
   25   2H5*    U   3          2H5*        U   3   2.577  -8.662  -2.744
   26    H4*    U   3           H4*        U   3   3.498 -10.358  -4.170
   27    H3*    U   3           H3*        U   3   0.493 -10.265  -4.085
   28    H2*    U   3           H2*        U   3   0.462 -12.069  -5.701
   29   2HO*    U   3          2HO*        U   3   3.168 -11.321  -5.945
   30    H1*    U   3           H1*        U   3   2.337 -13.618  -4.361
   31    H3     U   3           H3         U   3  -1.599 -15.629  -3.382
   32    H5     U   3           H5         U   3  -1.472 -12.287  -0.847
   33    H6     U   3           H6         U   3   0.511 -11.575  -2.008
   34   1H5*    A   4          1H5*        A   4   1.106  -9.316  -8.454
   35   2H5*    A   4          2H5*        A   4  -0.196  -8.161  -8.800
   36    H4*    A   4           H4*        A   4  -0.219 -10.218 -10.196
   37    H3*    A   4           H3*        A   4  -2.643  -9.488  -8.574
   38    H2*    A   4           H2*        A   4  -3.753 -11.453  -9.478
   39   2HO*    A   4          2HO*        A   4  -2.416 -11.123 -11.561
   40    H1*    A   4           H1*        A   4  -1.653 -13.161  -8.919
   41    H8     A   4           H8         A   4  -1.212 -10.864  -6.141
   42   1H6     A   4          H61         A   4  -6.093 -13.401  -3.315
   43   2H6     A   4          H62         A   4  -4.694 -12.370  -3.119
   44    H2     A   4           H2         A   4  -6.114 -14.744  -7.599
   45   1H5*    G   5          1H5*        G   5  -4.757  -8.659 -12.317
   46   2H5*    G   5          2H5*        G   5  -5.569  -7.116 -11.993
   47    H4*    G   5           H4*        G   5  -7.113  -8.996 -12.404
   48    H3*    G   5           H3*        G   5  -7.286  -7.543  -9.773
   49    H2*    G   5           H2*        G   5  -9.149  -8.977  -9.196
   50   2HO*    G   5          2HO*        G   5 -10.041 -10.379 -10.729
   51    H1*    G   5           H1*        G   5  -7.892 -11.330 -10.005
   52    H8     G   5           H8         G   5  -5.033  -9.531  -8.658
   53    H1     G   5           H1         G   5  -9.082 -11.398  -4.042
   54   1H2     G   5          H21         G   5 -11.315 -11.910  -6.618
   55   2H2     G   5          H22         G   5 -11.004 -11.947  -4.895
   56   1H5*    A   6          1H5*        A   6 -10.974  -8.322 -10.704
   57   2H5*    A   6          2H5*        A   6 -11.928  -6.837 -10.881
   58    H4*    A   6           H4*        A   6 -12.996  -8.581  -9.486
   59    H3*    A   6           H3*        A   6 -13.198  -5.920  -9.054
   60    H2*    A   6           H2*        A   6 -11.433  -5.722  -7.415
   61   2HO*    A   6          2HO*        A   6 -13.574  -6.727  -5.819
   62    H1*    A   6           H1*        A   6 -12.357  -8.391  -6.207
   63    H8     A   6           H8         A   6  -8.949  -7.352  -7.638
   64   1H6     A   6          H61         A   6  -6.907  -7.632  -1.799
   65   2H6     A   6          H62         A   6  -6.451  -7.402  -3.477
   66    H2     A   6           H2         A   6 -11.337  -8.346  -1.761
   67   1H5*    A   7          1H5*        A   7 -15.589  -7.489  -5.335
   68   2H5*    A   7          2H5*        A   7 -16.992  -6.407  -5.258
   69    H4*    A   7           H4*        A   7 -16.088  -6.350  -3.117
   70    H3*    A   7           H3*        A   7 -15.197  -3.902  -4.626
   71    H2*    A   7           H2*        A   7 -13.837  -3.279  -2.793
   72   2HO*    A   7          2HO*        A   7 -14.387  -4.391  -0.674
   73    H1*    A   7           H1*        A   7 -13.614  -6.027  -1.742
   74    H8     A   7           H8         A   7 -11.978  -5.109  -5.063
   75   1H6     A   7          H61         A   7  -6.822  -4.260  -1.735
   76   2H6     A   7          H62         A   7  -7.487  -4.345  -3.351
   77    H2     A   7           H2         A   7 -10.228  -4.902   1.107
   78   1H5*    A   8          1H5*        A   8 -17.933  -0.832  -1.234
   79   2H5*    A   8          2H5*        A   8 -16.629   0.206  -1.844
   80    H4*    A   8           H4*        A   8 -17.037  -0.845   0.785
   81    H3*    A   8           H3*        A   8 -15.097   1.119  -0.408
   82    H2*    A   8           H2*        A   8 -13.731   0.898   1.560
   83   2HO*    A   8          2HO*        A   8 -14.817   0.622   3.368
   84    H1*    A   8           H1*        A   8 -13.968  -1.889   1.748
   85    H8     A   8           H8         A   8 -13.639  -0.737  -1.847
   86   1H6     A   8          H61         A   8  -7.519  -1.214  -1.023
   87   2H6     A   8          H62         A   8  -8.793  -0.955  -2.194
   88    H2     A   8           H2         A   8  -9.505  -1.738   2.964
   89   1H5*    C   9          1H5*        C   9 -16.006   2.923   4.222
   90   2H5*    C   9          2H5*        C   9 -15.620   4.539   3.598
   91    H4*    C   9           H4*        C   9 -14.276   3.505   5.585
   92    H3*    C   9           H3*        C   9 -13.233   5.220   3.370
   93    H2*    C   9           H2*        C   9 -10.970   4.868   4.094
   94   2HO*    C   9          2HO*        C   9 -10.860   3.386   6.110
   95    H1*    C   9           H1*        C   9 -11.194   2.132   4.560
   96   1H4     C   9          H41         C   9 -10.898   2.644  -2.012
   97   2H4     C   9          H42         C   9  -9.274   2.251  -1.466
   98    H5     C   9           H5         C   9 -12.730   3.098  -0.475
   99    H6     C   9           H6         C   9 -13.362   3.247   1.873
  100   1H5*    A  10          1H5*        A  10 -10.227   8.380   6.347
  101   2H5*    A  10          2H5*        A  10 -10.410   8.629   4.599
  102    H4*    A  10           H4*        A  10  -8.494   6.882   6.089
  103    H3*    A  10           H3*        A  10  -8.207   9.134   4.156
  104    H2*    A  10           H2*        A  10  -6.391   8.055   3.024
  105   2HO*    A  10          2HO*        A  10  -5.527   6.071   3.927
  106    H1*    A  10           H1*        A  10  -7.482   5.505   2.943
  107    H8     A  10           H8         A  10 -10.562   7.324   2.420
  108   1H6     A  10          H61         A  10  -8.768   8.581  -3.371
  109   2H6     A  10          H62         A  10 -10.112   8.582  -2.251
  110    H2     A  10           H2         A  10  -5.203   7.064  -1.108
  111   1H5*    A  11          1H5*        A  11  -3.667  11.584   5.614
  112   2H5*    A  11          2H5*        A  11  -3.980  10.790   4.059
  113    H4*    A  11           H4*        A  11  -2.059   9.972   6.223
  114    H3*    A  11           H3*        A  11  -1.689  11.051   3.459
  115    H2*    A  11           H2*        A  11   0.133   9.540   3.062
  116   2HO*    A  11          2HO*        A  11   1.359   9.194   4.767
  117    H1*    A  11           H1*        A  11  -1.048   7.290   4.216
  118    H8     A  11           H8         A  11  -3.998   8.624   2.613
  119   1H6     A  11          H61         A  11  -1.798   6.744  -2.860
  120   2H6     A  11          H62         A  11  -3.208   7.324  -2.003
  121    H2     A  11           H2         A  11   1.548   6.563   0.120
  122   1H5*    G  12          1H5*        G  12   2.416  11.519   4.757
  123   2H5*    G  12          2H5*        G  12   2.785  13.198   4.318
  124    H4*    G  12           H4*        G  12   4.334  11.549   3.340
  125    H3*    G  12           H3*        G  12   2.803  13.425   1.587
  126    H2*    G  12           H2*        G  12   3.703  12.369  -0.386
  127   2HO*    G  12          2HO*        G  12   5.169  10.531   1.176
  128    H1*    G  12           H1*        G  12   3.232   9.779   0.414
  129    H8     G  12           H8         G  12   0.651  12.185   1.831
  130    H1     G  12           H1         G  12  -0.761   9.787  -3.948
  131   1H2     G  12          H21         G  12   2.454   8.511  -3.876
  132   2H2     G  12          H22         G  12   0.949   8.676  -4.754
  133   1H5*    G  13          1H5*        G  13   6.271  12.636  -0.340
  134   2H5*    G  13          2H5*        G  13   7.164  14.159  -0.516
  135    H4*    G  13           H4*        G  13   7.196  13.115  -2.622
  136    H3*    G  13           H3*        G  13   5.274  15.420  -2.533
  137    H2*    G  13           H2*        G  13   4.714  14.991  -4.841
  138   2HO*    G  13          2HO*        G  13   5.889  13.190  -5.896
  139    H1*    G  13           H1*        G  13   4.479  12.230  -4.545
  140    H8     G  13           H8         G  13   3.242  14.011  -1.457
  141    H1     G  13           H1         G  13  -1.119  13.369  -6.123
  142   1H2     G  13          H21         G  13   1.542  12.348  -8.070
  143   2H2     G  13          H22         G  13  -0.174  12.675  -7.965
  144   1H5*    C  14          1H5*        C  14   7.679  17.014  -6.197
  145   2H5*    C  14          2H5*        C  14   7.925  18.619  -5.482
  146    H4*    C  14           H4*        C  14   6.932  18.800  -7.676
  147    H3*    C  14           H3*        C  14   5.130  19.643  -5.409
  148    H2*    C  14           H2*        C  14   3.519  20.299  -7.080
  149   2HO*    C  14          2HO*        C  14   4.492  19.705  -9.388
  150    H1*    C  14           H1*        C  14   3.905  17.997  -8.666
  151   1H4     C  14          H41         C  14  -0.151  16.169  -3.808
  152   2H4     C  14          H42         C  14  -1.182  16.975  -4.980
  153    H5     C  14           H5         C  14   2.251  16.096  -4.027
  154    H6     C  14           H6         C  14   4.155  16.806  -5.372
  155   1H5*    U  15          1H5*        U  15   4.600  23.555  -7.365
  156   2H5*    U  15          2H5*        U  15   4.770  24.551  -5.907
  157    H4*    U  15           H4*        U  15   2.576  24.754  -7.046
  158    H3*    U  15           H3*        U  15   2.706  23.937  -4.160
  159    H2*    U  15           H2*        U  15   0.295  23.792  -4.125
  160   2HO*    U  15          2HO*        U  15  -0.425  24.208  -6.621
  161    H1*    U  15           H1*        U  15   0.096  22.319  -6.451
  162    H3     U  15           H3         U  15  -0.418  19.390  -2.983
  163    H5     U  15           H5         U  15   3.723  19.697  -3.581
  164    H6     U  15           H6         U  15   3.294  21.514  -5.101
  165   1H5*    U  16          1H5*        U  16   0.528  28.488  -2.204
  166   2H5*    U  16          2H5*        U  16  -0.009  27.050  -1.313
  167    H4*    U  16           H4*        U  16  -1.869  28.528  -1.777
  168    H3*    U  16           H3*        U  16  -2.172  25.933  -1.983
  169    H2*    U  16           H2*        U  16  -1.349  25.626  -4.234
  170   2HO*    U  16          2HO*        U  16  -3.257  25.520  -5.595
  171    H1*    U  16           H1*        U  16  -2.952  28.010  -5.252
  172    H3     U  16           H3         U  16  -0.828  26.824  -9.090
  173    H5     U  16           H5         U  16   2.216  28.144  -6.513
  174    H6     U  16           H6         U  16   0.581  28.212  -4.745
  175   1H5*    C  17          1H5*        C  17  -5.393  24.684  -3.726
  176   2H5*    C  17          2H5*        C  17  -6.421  24.183  -2.369
  177    H4*    C  17           H4*        C  17  -5.516  22.400  -3.998
  178    H3*    C  17           H3*        C  17  -6.366  22.004  -1.433
  179    H2*    C  17           H2*        C  17  -4.177  22.314  -0.413
  180   2HO*    C  17          2HO*        C  17  -3.548  20.255   0.159
  181    H1*    C  17           H1*        C  17  -3.083  20.662  -2.776
  182   1H4     C  17          H41         C  17   2.286  23.772  -0.693
  183   2H4     C  17          H42         C  17   2.445  22.167   0.009
  184    H5     C  17           H5         C  17   0.281  24.552  -1.766
  185    H6     C  17           H6         C  17  -1.950  23.923  -2.510
  186   1H5*    G  18          1H5*        G  18  -7.997  22.277  -2.918
  187   2H5*    G  18          2H5*        G  18  -9.503  21.660  -2.211
  188    H4*    G  18           H4*        G  18 -10.541  22.384  -4.023
  189    H3*    G  18           H3*        G  18  -9.155  20.011  -5.161
  190    H2*    G  18           H2*        G  18  -9.051  20.881  -7.311
  191   2HO*    G  18          2HO*        G  18 -11.661  21.690  -6.579
  192    H1*    G  18           H1*        G  18 -10.012  23.614  -6.476
  193    H8     G  18           H8         G  18  -9.115  24.612  -8.665
  194    H1     G  18           H1         G  18  -3.253  22.314  -7.412
  195   1H2     G  18          H21         G  18  -4.805  20.570  -4.867
  196   2H2     G  18          H22         G  18  -3.321  20.931  -5.720
  197   1H5*    G  19          1H5*        G  19  -9.551  16.373  -5.696
  198   2H5*    G  19          2H5*        G  19  -8.837  17.964  -5.383
  199    H4*    G  19           H4*        G  19  -9.796  17.530  -8.124
  200    H3*    G  19           H3*        G  19  -7.863  15.602  -7.006
  201    H2*    G  19           H2*        G  19  -6.129  16.098  -8.563
  202   2HO*    G  19          2HO*        G  19  -7.530  17.897 -10.120
  203    H1*    G  19           H1*        G  19  -6.421  18.842  -8.727
  204    H8     G  19           H8         G  19  -7.078  17.507  -5.222
  205    H1     G  19           H1         G  19  -0.967  18.988  -6.448
  206   1H2     G  19          H21         G  19  -1.997  19.364  -9.711
  207   2H2     G  19          H22         G  19  -0.678  19.411  -8.551
  208   1H5*    C  20          1H5*        C  20  -8.372  14.019 -11.126
  209   2H5*    C  20          2H5*        C  20  -8.554  12.262 -10.961
  210    H4*    C  20           H4*        C  20  -6.694  12.903 -12.428
  211    H3*    C  20           H3*        C  20  -6.175  11.246  -9.995
  212    H2*    C  20           H2*        C  20  -3.800  11.313 -10.405
  213   2HO*    C  20          2HO*        C  20  -3.849  12.952 -12.605
  214    H1*    C  20           H1*        C  20  -3.647  14.022 -10.902
  215   1H4     C  20          H41         C  20  -4.766  13.851  -4.427
  216   2H4     C  20          H42         C  20  -3.027  13.732  -4.582
  217    H5     C  20           H5         C  20  -6.262  13.794  -6.290
  218    H6     C  20           H6         C  20  -6.435  13.682  -8.701
  219   1H5*    C  21          1H5*        C  21  -3.338   9.818 -12.148
  220   2H5*    C  21          2H5*        C  21  -3.738   8.144 -12.579
  221    H4*    C  21           H4*        C  21  -1.541   8.084 -11.772
  222    H3*    C  21           H3*        C  21  -3.486   7.075  -9.712
  223    H2*    C  21           H2*        C  21  -1.655   6.707  -8.208
  224   2HO*    C  21          2HO*        C  21   0.207   6.119  -9.043
  225    H1*    C  21           H1*        C  21  -0.255   9.068  -8.888
  226   1H4     C  21          H41         C  21  -4.800  10.772  -4.407
  227   2H4     C  21          H42         C  21  -3.435  10.183  -3.471
  228    H5     C  21           H5         C  21  -4.879  10.646  -6.828
  229    H6     C  21           H6         C  21  -3.670   9.925  -8.827
  230   1H5*    U  22          1H5*        U  22  -1.083   4.613  -9.024
  231   2H5*    U  22          2H5*        U  22  -1.687   2.974  -8.714
  232    H4*    U  22           H4*        U  22  -0.774   4.509  -6.787
  233    H3*    U  22           H3*        U  22  -2.919   2.453  -6.700
  234    H2*    U  22           H2*        U  22  -3.705   3.143  -4.562
  235   2HO*    U  22          2HO*        U  22  -2.250   5.125  -3.759
  236    H1*    U  22           H1*        U  22  -3.555   5.886  -4.962
  237    H3     U  22           H3         U  22  -7.903   4.281  -5.011
  238    H5     U  22           H5         U  22  -6.645   4.673  -8.998
  239    H6     U  22           H6         U  22  -4.406   5.004  -8.178
  240   1H5*    G  23          1H5*        G  23   1.624   3.215  -2.664
  241   2H5*    G  23          2H5*        G  23   1.446   1.450  -2.713
  242    H4*    G  23           H4*        G  23   1.261   2.653  -0.454
  243    H3*    G  23           H3*        G  23  -0.644   0.521  -1.386
  244    H2*    G  23           H2*        G  23  -1.860   0.771   0.674
  245   2HO*    G  23          2HO*        G  23  -0.083   0.991   2.084
  246    H1*    G  23           H1*        G  23  -1.773   3.578   0.700
  247    H8     G  23           H8         G  23  -2.306   2.447  -2.818
  248    H1     G  23           H1         G  23  -7.648   2.429   0.733
  249   1H2     G  23          H21         G  23  -5.513   2.898   3.415
  250   2H2     G  23          H22         G  23  -7.158   2.707   2.852
  251   1H5*    C  24          1H5*        C  24   1.378  -1.990   2.769
  252   2H5*    C  24          2H5*        C  24   0.246  -3.268   2.283
  253    H4*    C  24           H4*        C  24   0.211  -1.977   4.671
  254    H3*    C  24           H3*        C  24  -1.958  -3.462   3.220
  255    H2*    C  24           H2*        C  24  -3.541  -2.726   4.880
  256   2HO*    C  24          2HO*        C  24  -1.986  -1.158   6.428
  257    H1*    C  24           H1*        C  24  -2.653  -0.078   4.955
  258   1H4     C  24          H41         C  24  -6.168  -0.573  -0.609
  259   2H4     C  24          H42         C  24  -7.273   0.032   0.613
  260    H5     C  24           H5         C  24  -3.901  -1.251  -0.108
  261    H6     C  24           H6         C  24  -2.232  -1.481   1.657
  262   1H5*    U  25          1H5*        U  25  -3.098  -4.077   6.802
  263   2H5*    U  25          2H5*        U  25  -3.235  -5.811   7.151
  264    H4*    U  25           H4*        U  25  -5.307  -4.693   7.647
  265    H3*    U  25           H3*        U  25  -5.367  -6.644   5.369
  266    H2*    U  25           H2*        U  25  -7.712  -6.141   5.037
  267   2HO*    U  25          2HO*        U  25  -8.323  -5.891   7.222
  268    H1*    U  25           H1*        U  25  -7.397  -3.402   5.087
  269    H3     U  25           H3         U  25  -7.696  -4.374   0.669
  270    H5     U  25           H5         U  25  -3.700  -5.174   1.669
  271    H6     U  25           H6         U  25  -4.289  -4.837   3.978
  272   1H5*    U  26          1H5*        U  26  -8.712  -8.308   7.537
  273   2H5*    U  26          2H5*        U  26  -8.489 -10.061   7.385
  274    H4*    U  26           H4*        U  26 -10.608  -9.241   6.425
  275    H3*    U  26           H3*        U  26  -8.664 -10.639   4.596
  276    H2*    U  26           H2*        U  26 -10.276 -10.401   2.827
  277   2HO*    U  26          2HO*        U  26 -12.274 -10.690   3.541
  278    H1*    U  26           H1*        U  26 -11.011  -7.760   3.520
  279    H3     U  26           H3         U  26  -8.871  -7.777  -0.540
  280    H5     U  26           H5         U  26  -5.872  -7.391   2.375
  281    H6     U  26           H6         U  26  -7.536  -7.882   4.042
  282   1H5*    U  27          1H5*        U  27 -12.507 -12.728   4.217
  283   2H5*    U  27          2H5*        U  27 -12.147 -14.437   3.901
  284    H4*    U  27           H4*        U  27 -13.592 -13.353   2.200
  285    H3*    U  27           H3*        U  27 -11.013 -14.652   1.380
  286    H2*    U  27           H2*        U  27 -11.476 -14.035  -0.912
  287   2HO*    U  27          2HO*        U  27 -13.959 -14.204  -0.194
  288    H1*    U  27           H1*        U  27 -12.108 -11.402  -0.335
  289    H3     U  27           H3         U  27  -7.871 -11.263  -1.946
  290    H5     U  27           H5         U  27  -7.447 -12.348   2.088
  291    H6     U  27           H6         U  27  -9.835 -12.613   2.187
  292   1H5*    U  28          1H5*        U  28 -14.056 -17.140  -0.976
  293   2H5*    U  28          2H5*        U  28 -13.324 -18.757  -0.971
  294    H4*    U  28           H4*        U  28 -13.817 -17.866  -3.227
  295    H3*    U  28           H3*        U  28 -10.979 -18.613  -2.551
  296    H2*    U  28           H2*        U  28 -10.389 -18.060  -4.833
  297   2HO*    U  28          2HO*        U  28 -12.162 -18.763  -5.988
  298    H1*    U  28           H1*        U  28 -11.755 -15.633  -4.823
  299    H3     U  28           H3         U  28  -7.292 -14.711  -4.447
  300    H5     U  28           H5         U  28  -8.665 -15.336  -0.526
  301    H6     U  28           H6         U  28 -10.736 -16.130  -1.460
  302   1H5*    G  29          1H5*        G  29 -11.089 -21.937  -5.231
  303   2H5*    G  29          2H5*        G  29 -10.368 -23.254  -4.285
  304    H4*    G  29           H4*        G  29  -9.008 -22.573  -6.226
  305    H3*    G  29           H3*        G  29  -7.783 -22.324  -3.485
  306    H2*    G  29           H2*        G  29  -5.811 -21.439  -4.479
  307   2HO*    G  29          2HO*        G  29  -5.563 -21.675  -6.838
  308    H1*    G  29           H1*        G  29  -7.175 -20.183  -6.707
  309    H8     G  29           H8         G  29  -8.562 -18.983  -3.475
  310    H1     G  29           H1         G  29  -3.075 -16.103  -5.126
  311   1H2     G  29          H21         G  29  -2.831 -18.602  -7.508
  312   2H2     G  29          H22         G  29  -2.122 -17.171  -6.798
  313   1H5*    C  30          1H5*        C  30  -4.848 -24.147  -6.222
  314   2H5*    C  30          2H5*        C  30  -4.139 -25.466  -5.271
  315    H4*    C  30           H4*        C  30  -2.454 -23.991  -6.273
  316    H3*    C  30           H3*        C  30  -2.546 -24.246  -3.282
  317    H2*    C  30           H2*        C  30  -0.698 -22.711  -3.120
  318   2HO*    C  30          2HO*        C  30   0.630 -22.358  -4.792
  319    H1*    C  30           H1*        C  30  -1.676 -20.899  -5.014
  320   1H4     C  30          H41         C  30  -5.156 -19.771   0.477
  321   2H4     C  30          H42         C  30  -3.861 -18.588   0.470
  322    H5     C  30           H5         C  30  -5.339 -21.531  -1.164
  323    H6     C  30           H6         C  30  -4.325 -22.520  -3.148
  324   1H5*    U  31          1H5*        U  31   1.460 -24.175  -4.473
  325   2H5*    U  31          2H5*        U  31   2.319 -25.488  -3.644
  326    H4*    U  31           H4*        U  31   3.446 -23.357  -3.348
  327    H3*    U  31           H3*        U  31   2.310 -24.625  -0.866
  328    H2*    U  31           H2*        U  31   3.196 -22.797   0.410
  329   2HO*    U  31          2HO*        U  31   4.994 -22.780  -1.577
  330    H1*    U  31           H1*        U  31   2.523 -20.807  -1.490
  331    H3     U  31           H3         U  31  -0.212 -19.769   1.932
  332    H5     U  31           H5         U  31  -1.861 -23.290   0.342
  333    H6     U  31           H6         U  31   0.071 -23.461  -1.084
  334    H3T    U  31           H3T        U  31   4.905 -24.380  -0.918
  Start of MODEL    6
    1   1H5*    A   1          1H5*        A   1  -4.930 -12.443   8.760
    2   2H5*    A   1          2H5*        A   1  -4.651 -11.698   7.175
    3    H4*    A   1           H4*        A   1  -2.638 -12.558   8.498
    4    H3*    A   1           H3*        A   1  -3.103 -12.966   5.576
    5    H2*    A   1           H2*        A   1  -1.175 -14.410   5.423
    6   2HO*    A   1          2HO*        A   1  -0.426 -13.012   7.584
    7    H1*    A   1           H1*        A   1  -1.802 -15.977   7.593
    8    H8     A   1           H8         A   1  -5.210 -15.215   6.632
    9   1H6     A   1          H61         A   1  -4.691 -19.149   1.879
   10   2H6     A   1          H62         A   1  -5.804 -18.219   2.855
   11    H2     A   1           H2         A   1  -0.578 -18.345   3.476
   12    H5T    A   1           H5T        A   1  -6.009 -13.132   6.483
   13   1H5*    G   2          1H5*        G   2   1.042 -11.672   5.142
   14   2H5*    G   2          2H5*        G   2   0.879 -10.292   4.040
   15    H4*    G   2           H4*        G   2   2.483 -11.960   3.241
   16    H3*    G   2           H3*        G   2   0.070 -11.386   1.547
   17    H2*    G   2           H2*        G   2   0.841 -13.000  -0.055
   18   2HO*    G   2          2HO*        G   2   2.928 -13.494  -0.222
   19    H1*    G   2           H1*        G   2   1.707 -14.898   1.843
   20    H8     G   2           H8         G   2  -1.450 -13.880   3.301
   21    H1     G   2           H1         G   2  -2.330 -17.409  -1.980
   22   1H2     G   2          H21         G   2   1.027 -16.806  -2.588
   23   2H2     G   2          H22         G   2  -0.457 -17.567  -3.116
   24   1H5*    U   3          1H5*        U   3   3.609 -10.174  -1.148
   25   2H5*    U   3          2H5*        U   3   2.950  -8.789  -2.039
   26    H4*    U   3           H4*        U   3   3.843 -10.472  -3.542
   27    H3*    U   3           H3*        U   3   0.863 -10.038  -3.694
   28    H2*    U   3           H2*        U   3   0.841 -11.613  -5.530
   29   2HO*    U   3          2HO*        U   3   3.633 -11.979  -5.339
   30    H1*    U   3           H1*        U   3   2.529 -13.454  -4.250
   31    H3     U   3           H3         U   3  -1.499 -15.491  -4.122
   32    H5     U   3           H5         U   3  -1.740 -12.527  -1.158
   33    H6     U   3           H6         U   3   0.384 -11.695  -1.924
   34   1H5*    A   4          1H5*        A   4   2.022  -8.560  -7.819
   35   2H5*    A   4          2H5*        A   4   0.874  -7.237  -8.097
   36    H4*    A   4           H4*        A   4   0.810  -9.039  -9.801
   37    H3*    A   4           H3*        A   4  -1.683  -8.308  -8.296
   38    H2*    A   4           H2*        A   4  -2.883 -10.001  -9.561
   39   2HO*    A   4          2HO*        A   4  -1.414 -11.305 -11.038
   40    H1*    A   4           H1*        A   4  -1.039 -11.989  -9.073
   41    H8     A   4           H8         A   4  -0.596 -10.082  -5.998
   42   1H6     A   4          H61         A   4  -5.918 -12.417  -3.876
   43   2H6     A   4          H62         A   4  -4.452 -11.562  -3.449
   44    H2     A   4           H2         A   4  -5.692 -13.245  -8.281
   45   1H5*    G   5          1H5*        G   5  -3.371  -6.771 -12.024
   46   2H5*    G   5          2H5*        G   5  -4.069  -5.213 -11.543
   47    H4*    G   5           H4*        G   5  -5.733  -6.855 -12.329
   48    H3*    G   5           H3*        G   5  -6.000  -5.773  -9.531
   49    H2*    G   5           H2*        G   5  -8.030  -7.074  -9.314
   50   2HO*    G   5          2HO*        G   5  -9.051  -7.898 -11.051
   51    H1*    G   5           H1*        G   5  -6.918  -9.407 -10.359
   52    H8     G   5           H8         G   5  -4.046  -8.080  -8.555
   53    H1     G   5           H1         G   5  -8.606 -10.214  -4.574
   54   1H2     G   5          H21         G   5 -10.644 -10.166  -7.358
   55   2H2     G   5          H22         G   5 -10.487 -10.474  -5.643
   56   1H5*    A   6          1H5*        A   6  -9.668  -6.072 -10.806
   57   2H5*    A   6          2H5*        A   6 -10.457  -4.484 -10.825
   58    H4*    A   6           H4*        A   6 -11.792  -6.279  -9.766
   59    H3*    A   6           H3*        A   6 -11.770  -3.697  -8.964
   60    H2*    A   6           H2*        A   6 -10.119  -3.922  -7.211
   61   2HO*    A   6          2HO*        A   6 -12.735  -4.361  -6.309
   62    H1*    A   6           H1*        A   6 -11.402  -6.612  -6.464
   63    H8     A   6           H8         A   6  -7.803  -5.759  -7.498
   64   1H6     A   6          H61         A   6  -6.271  -7.076  -1.646
   65   2H6     A   6          H62         A   6  -5.664  -6.662  -3.239
   66    H2     A   6           H2         A   6 -10.738  -7.319  -2.003
   67   1H5*    A   7          1H5*        A   7 -14.437  -5.526  -5.669
   68   2H5*    A   7          2H5*        A   7 -15.812  -4.416  -5.510
   69    H4*    A   7           H4*        A   7 -15.073  -4.629  -3.340
   70    H3*    A   7           H3*        A   7 -13.830  -2.132  -4.472
   71    H2*    A   7           H2*        A   7 -12.557  -1.876  -2.497
   72   2HO*    A   7          2HO*        A   7 -14.174  -3.671  -1.042
   73    H1*    A   7           H1*        A   7 -12.722  -4.734  -1.765
   74    H8     A   7           H8         A   7 -10.696  -3.625  -4.803
   75   1H6     A   7          H61         A   7  -5.805  -3.799  -1.007
   76   2H6     A   7          H62         A   7  -6.326  -3.610  -2.667
   77    H2     A   7           H2         A   7  -9.504  -4.379   1.458
   78   1H5*    A   8          1H5*        A   8 -16.585   0.856  -0.982
   79   2H5*    A   8          2H5*        A   8 -15.089   1.756  -1.303
   80    H4*    A   8           H4*        A   8 -15.981   0.623   1.129
   81    H3*    A   8           H3*        A   8 -13.486   2.105   0.335
   82    H2*    A   8           H2*        A   8 -12.535   1.511   2.472
   83   2HO*    A   8          2HO*        A   8 -13.728   0.584   4.083
   84    H1*    A   8           H1*        A   8 -13.284  -1.160   2.302
   85    H8     A   8           H8         A   8 -12.462   0.019  -1.168
   86   1H6     A   8          H61         A   8  -6.549  -1.273   0.140
   87   2H6     A   8          H62         A   8  -7.677  -0.842  -1.126
   88    H2     A   8           H2         A   8  -8.908  -1.548   3.944
   89   1H5*    C   9          1H5*        C   9 -15.108   4.394   5.359
   90   2H5*    C   9          2H5*        C   9 -14.074   5.055   4.079
   91    H4*    C   9           H4*        C   9 -13.373   3.934   6.657
   92    H3*    C   9           H3*        C   9 -12.031   5.729   4.675
   93    H2*    C   9           H2*        C   9  -9.868   5.097   5.509
   94   2HO*    C   9          2HO*        C   9 -11.425   4.041   7.635
   95    H1*    C   9           H1*        C   9 -10.368   2.367   5.666
   96   1H4     C   9          H41         C   9  -9.651   3.481  -0.797
   97   2H4     C   9          H42         C   9  -8.099   2.895  -0.216
   98    H5     C   9           H5         C   9 -11.520   3.950   0.687
   99    H6     C   9           H6         C   9 -12.271   3.928   3.004
  100   1H5*    A  10          1H5*        A  10  -9.580   8.532   7.768
  101   2H5*    A  10          2H5*        A  10  -9.427   9.416   6.237
  102    H4*    A  10           H4*        A  10  -7.514   7.798   7.507
  103    H3*    A  10           H3*        A  10  -7.566   9.245   4.873
  104    H2*    A  10           H2*        A  10  -5.609   8.032   4.196
  105   2HO*    A  10          2HO*        A  10  -4.983   6.457   6.176
  106    H1*    A  10           H1*        A  10  -6.415   5.556   5.281
  107    H8     A  10           H8         A  10  -9.524   6.595   3.755
  108   1H6     A  10          H61         A  10  -7.174   5.220  -1.806
  109   2H6     A  10          H62         A  10  -8.635   5.588  -0.917
  110    H2     A  10           H2         A  10  -3.799   5.318   1.145
  111   1H5*    A  11          1H5*        A  11  -3.110  12.503   5.812
  112   2H5*    A  11          2H5*        A  11  -3.341  11.605   4.298
  113    H4*    A  11           H4*        A  11  -1.399  11.130   6.523
  114    H3*    A  11           H3*        A  11  -1.147  11.689   3.609
  115    H2*    A  11           H2*        A  11   0.608  10.080   3.339
  116   2HO*    A  11          2HO*        A  11   1.881  10.357   5.110
  117    H1*    A  11           H1*        A  11  -0.502   8.059   4.878
  118    H8     A  11           H8         A  11  -3.590   9.272   3.449
  119   1H6     A  11          H61         A  11  -2.079   6.620  -1.937
  120   2H6     A  11          H62         A  11  -3.367   7.358  -1.011
  121    H2     A  11           H2         A  11   1.583   6.697   0.652
  122   1H5*    G  12          1H5*        G  12   2.955  12.088   4.522
  123   2H5*    G  12          2H5*        G  12   3.334  13.777   4.133
  124    H4*    G  12           H4*        G  12   4.913  12.342   3.057
  125    H3*    G  12           H3*        G  12   3.045  13.838   1.271
  126    H2*    G  12           H2*        G  12   3.920  12.713  -0.671
  127   2HO*    G  12          2HO*        G  12   5.651  10.979   0.176
  128    H1*    G  12           H1*        G  12   3.861  10.171   0.378
  129    H8     G  12           H8         G  12   1.097  12.381   1.788
  130    H1     G  12           H1         G  12  -0.427   9.184  -3.561
  131   1H2     G  12          H21         G  12   2.924   8.331  -3.652
  132   2H2     G  12          H22         G  12   1.348   8.208  -4.400
  133   1H5*    G  13          1H5*        G  13   6.593  13.323  -0.794
  134   2H5*    G  13          2H5*        G  13   7.227  14.944  -1.136
  135    H4*    G  13           H4*        G  13   7.380  13.725  -3.140
  136    H3*    G  13           H3*        G  13   5.126  15.710  -3.186
  137    H2*    G  13           H2*        G  13   4.589  14.987  -5.427
  138   2HO*    G  13          2HO*        G  13   6.482  14.599  -6.437
  139    H1*    G  13           H1*        G  13   4.756  12.267  -4.871
  140    H8     G  13           H8         G  13   3.401  14.189  -1.909
  141    H1     G  13           H1         G  13  -1.004  12.401  -6.218
  142   1H2     G  13          H21         G  13   1.697  11.532  -8.183
  143   2H2     G  13          H22         G  13  -0.043  11.627  -8.019
  144   1H5*    C  14          1H5*        C  14   6.768  16.832  -6.964
  145   2H5*    C  14          2H5*        C  14   7.312  18.489  -6.642
  146    H4*    C  14           H4*        C  14   6.075  18.723  -8.569
  147    H3*    C  14           H3*        C  14   4.244  19.374  -6.262
  148    H2*    C  14           H2*        C  14   2.534  19.862  -7.899
  149   2HO*    C  14          2HO*        C  14   3.433  19.361 -10.224
  150    H1*    C  14           H1*        C  14   3.056  17.576  -9.440
  151   1H4     C  14          H41         C  14  -0.419  15.518  -4.223
  152   2H4     C  14          H42         C  14  -1.615  16.056  -5.394
  153    H5     C  14           H5         C  14   1.955  15.775  -4.573
  154    H6     C  14           H6         C  14   3.669  16.631  -6.079
  155   1H5*    U  15          1H5*        U  15   2.950  22.860  -8.416
  156   2H5*    U  15          2H5*        U  15   3.100  24.042  -7.102
  157    H4*    U  15           H4*        U  15   0.808  23.806  -7.996
  158    H3*    U  15           H3*        U  15   1.316  23.315  -5.076
  159    H2*    U  15           H2*        U  15  -1.038  22.859  -4.788
  160   2HO*    U  15          2HO*        U  15  -1.835  22.986  -7.381
  161    H1*    U  15           H1*        U  15  -1.226  21.141  -6.943
  162    H3     U  15           H3         U  15  -1.036  18.513  -3.216
  163    H5     U  15           H5         U  15   2.959  19.307  -4.231
  164    H6     U  15           H6         U  15   2.154  20.902  -5.843
  165   1H5*    U  16          1H5*        U  16  -1.270  27.852  -3.658
  166   2H5*    U  16          2H5*        U  16  -1.579  26.671  -2.370
  167    H4*    U  16           H4*        U  16  -3.652  27.652  -2.927
  168    H3*    U  16           H3*        U  16  -3.596  25.039  -2.819
  169    H2*    U  16           H2*        U  16  -2.807  24.586  -5.062
  170   2HO*    U  16          2HO*        U  16  -5.573  24.843  -5.637
  171    H1*    U  16           H1*        U  16  -4.793  26.566  -6.256
  172    H3     U  16           H3         U  16  -2.653  25.237 -10.044
  173    H5     U  16           H5         U  16   0.247  27.293  -7.805
  174    H6     U  16           H6         U  16  -1.317  27.341  -5.972
  175   1H5*    C  17          1H5*        C  17  -6.687  23.387  -4.266
  176   2H5*    C  17          2H5*        C  17  -7.689  22.852  -2.902
  177    H4*    C  17           H4*        C  17  -6.653  21.069  -4.408
  178    H3*    C  17           H3*        C  17  -7.354  20.766  -1.785
  179    H2*    C  17           H2*        C  17  -5.170  21.340  -0.882
  180   2HO*    C  17          2HO*        C  17  -5.064  18.556  -1.544
  181    H1*    C  17           H1*        C  17  -4.001  19.665  -3.192
  182   1H4     C  17          H41         C  17   1.088  23.442  -1.576
  183   2H4     C  17          H42         C  17   1.455  21.909  -0.796
  184    H5     C  17           H5         C  17  -1.039  23.945  -2.572
  185    H6     C  17           H6         C  17  -3.224  23.044  -3.157
  186   1H5*    G  18          1H5*        G  18  -8.869  20.679  -3.426
  187   2H5*    G  18          2H5*        G  18 -10.308  20.243  -2.484
  188    H4*    G  18           H4*        G  18 -11.564  20.390  -4.290
  189    H3*    G  18           H3*        G  18  -9.857  18.155  -5.245
  190    H2*    G  18           H2*        G  18  -9.954  18.788  -7.480
  191   2HO*    G  18          2HO*        G  18 -12.188  18.220  -7.507
  192    H1*    G  18           H1*        G  18 -11.320  21.412  -6.903
  193    H8     G  18           H8         G  18 -10.643  22.288  -9.223
  194    H1     G  18           H1         G  18  -4.470  21.040  -7.981
  195   1H2     G  18          H21         G  18  -5.669  19.404  -5.186
  196   2H2     G  18          H22         G  18  -4.281  19.877  -6.140
  197   1H5*    G  19          1H5*        G  19  -9.636  14.514  -5.432
  198   2H5*    G  19          2H5*        G  19  -9.223  16.236  -5.349
  199    H4*    G  19           H4*        G  19 -10.246  15.372  -7.945
  200    H3*    G  19           H3*        G  19  -7.996  13.833  -6.818
  201    H2*    G  19           H2*        G  19  -6.457  14.396  -8.546
  202   2HO*    G  19          2HO*        G  19  -7.435  15.629 -10.427
  203    H1*    G  19           H1*        G  19  -7.165  17.050  -8.948
  204    H8     G  19           H8         G  19  -7.329  16.029  -5.288
  205    H1     G  19           H1         G  19  -1.617  18.186  -7.237
  206   1H2     G  19          H21         G  19  -2.959  18.056 -10.406
  207   2H2     G  19          H22         G  19  -1.570  18.415  -9.393
  208   1H5*    C  20          1H5*        C  20  -8.488  11.890 -10.723
  209   2H5*    C  20          2H5*        C  20  -8.558  10.142 -10.423
  210    H4*    C  20           H4*        C  20  -6.824  10.731 -12.033
  211    H3*    C  20           H3*        C  20  -6.049   9.391  -9.477
  212    H2*    C  20           H2*        C  20  -3.712   9.583 -10.026
  213   2HO*    C  20          2HO*        C  20  -4.432   9.311 -12.434
  214    H1*    C  20           H1*        C  20  -3.789  12.223 -10.819
  215   1H4     C  20          H41         C  20  -4.562  12.659  -4.303
  216   2H4     C  20          H42         C  20  -2.831  12.592  -4.538
  217    H5     C  20           H5         C  20  -6.143  12.354  -6.070
  218    H6     C  20           H6         C  20  -6.431  11.983  -8.444
  219   1H5*    C  21          1H5*        C  21  -3.236   7.930 -11.600
  220   2H5*    C  21          2H5*        C  21  -3.515   6.192 -11.817
  221    H4*    C  21           H4*        C  21  -1.281   6.438 -11.114
  222    H3*    C  21           H3*        C  21  -3.062   5.409  -8.921
  223    H2*    C  21           H2*        C  21  -1.179   5.367  -7.441
  224   2HO*    C  21          2HO*        C  21   0.199   4.501  -9.232
  225    H1*    C  21           H1*        C  21  -0.003   7.767  -8.402
  226   1H4     C  21          H41         C  21  -4.388   9.615  -3.848
  227   2H4     C  21          H42         C  21  -2.948   9.186  -2.938
  228    H5     C  21           H5         C  21  -4.587   9.252  -6.235
  229    H6     C  21           H6         C  21  -3.444   8.424  -8.229
  230   1H5*    U  22          1H5*        U  22  -0.572   3.219  -8.065
  231   2H5*    U  22          2H5*        U  22  -1.017   1.531  -7.745
  232    H4*    U  22           H4*        U  22  -0.321   3.098  -5.794
  233    H3*    U  22           H3*        U  22  -2.462   1.017  -5.777
  234    H2*    U  22           H2*        U  22  -3.239   1.730  -3.620
  235   2HO*    U  22          2HO*        U  22  -0.749   2.336  -3.228
  236    H1*    U  22           H1*        U  22  -3.167   4.457  -4.116
  237    H3     U  22           H3         U  22  -7.490   2.821  -4.202
  238    H5     U  22           H5         U  22  -6.124   2.930  -8.172
  239    H6     U  22           H6         U  22  -3.914   3.353  -7.318
  240   1H5*    G  23          1H5*        G  23   1.164   1.349  -2.582
  241   2H5*    G  23          2H5*        G  23   1.331  -0.342  -2.073
  242    H4*    G  23           H4*        G  23   1.821   1.151  -0.244
  243    H3*    G  23           H3*        G  23  -0.542  -0.652   0.021
  244    H2*    G  23           H2*        G  23  -1.166   0.362   2.113
  245   2HO*    G  23          2HO*        G  23   0.241   1.546   3.277
  246    H1*    G  23           H1*        G  23  -0.903   2.982   1.293
  247    H8     G  23           H8         G  23  -1.895   1.231  -1.809
  248    H1     G  23           H1         G  23  -6.812   2.177   2.198
  249   1H2     G  23          H21         G  23  -4.386   2.970   4.526
  250   2H2     G  23          H22         G  23  -6.089   2.786   4.169
  251   1H5*    C  24          1H5*        C  24  -1.051  -3.139   3.631
  252   2H5*    C  24          2H5*        C  24  -1.789  -1.578   3.222
  253    H4*    C  24           H4*        C  24  -0.013  -1.650   5.590
  254    H3*    C  24           H3*        C  24  -2.627  -3.137   5.566
  255    H2*    C  24           H2*        C  24  -3.096  -2.245   7.752
  256   2HO*    C  24          2HO*        C  24  -0.383  -1.340   7.651
  257    H1*    C  24           H1*        C  24  -2.208   0.357   7.165
  258   1H4     C  24          H41         C  24  -8.232   0.109   4.545
  259   2H4     C  24          H42         C  24  -8.514   0.342   6.262
  260    H5     C  24           H5         C  24  -6.037  -0.316   3.622
  261    H6     C  24           H6         C  24  -3.672  -0.602   4.149
  262   1H5*    U  25          1H5*        U  25  -3.041  -4.572   8.065
  263   2H5*    U  25          2H5*        U  25  -3.133  -6.343   8.003
  264    H4*    U  25           H4*        U  25  -5.304  -5.303   8.426
  265    H3*    U  25           H3*        U  25  -4.977  -6.946   5.935
  266    H2*    U  25           H2*        U  25  -7.289  -6.486   5.379
  267   2HO*    U  25          2HO*        U  25  -7.334  -5.759   8.074
  268    H1*    U  25           H1*        U  25  -7.121  -3.766   5.836
  269    H3     U  25           H3         U  25  -6.915  -4.106   1.322
  270    H5     U  25           H5         U  25  -3.013  -4.928   2.634
  271    H6     U  25           H6         U  25  -3.858  -4.953   4.888
  272   1H5*    U  26          1H5*        U  26  -8.423  -8.897   7.556
  273   2H5*    U  26          2H5*        U  26  -8.270 -10.616   7.143
  274    H4*    U  26           H4*        U  26 -10.252  -9.483   6.162
  275    H3*    U  26           H3*        U  26  -8.268 -10.805   4.317
  276    H2*    U  26           H2*        U  26  -9.711 -10.215   2.486
  277   2HO*    U  26          2HO*        U  26 -11.586 -10.431   4.366
  278    H1*    U  26           H1*        U  26 -10.326  -7.637   3.490
  279    H3     U  26           H3         U  26  -7.961  -7.305  -0.433
  280    H5     U  26           H5         U  26  -5.121  -7.472   2.657
  281    H6     U  26           H6         U  26  -6.906  -8.052   4.162
  282   1H5*    U  27          1H5*        U  27 -12.243 -12.413   3.463
  283   2H5*    U  27          2H5*        U  27 -12.061 -14.088   2.905
  284    H4*    U  27           H4*        U  27 -13.284 -12.601   1.339
  285    H3*    U  27           H3*        U  27 -10.833 -14.072   0.422
  286    H2*    U  27           H2*        U  27 -11.101 -13.076  -1.766
  287   2HO*    U  27          2HO*        U  27 -12.982 -11.451  -1.818
  288    H1*    U  27           H1*        U  27 -11.434 -10.498  -0.822
  289    H3     U  27           H3         U  27  -7.114 -10.693  -2.213
  290    H5     U  27           H5         U  27  -7.082 -12.360   1.639
  291    H6     U  27           H6         U  27  -9.486 -12.339   1.585
  292   1H5*    U  28          1H5*        U  28 -14.076 -15.677  -2.424
  293   2H5*    U  28          2H5*        U  28 -13.612 -17.381  -2.584
  294    H4*    U  28           H4*        U  28 -13.871 -16.270  -4.746
  295    H3*    U  28           H3*        U  28 -11.137 -17.328  -4.064
  296    H2*    U  28           H2*        U  28 -10.412 -16.616  -6.265
  297   2HO*    U  28          2HO*        U  28 -12.736 -15.358  -7.004
  298    H1*    U  28           H1*        U  28 -11.511 -14.079  -6.035
  299    H3     U  28           H3         U  28  -7.043 -13.592  -5.298
  300    H5     U  28           H5         U  28  -8.659 -14.718  -1.590
  301    H6     U  28           H6         U  28 -10.740 -15.157  -2.717
  302   1H5*    G  29          1H5*        G  29 -11.474 -20.373  -7.077
  303   2H5*    G  29          2H5*        G  29 -10.918 -21.838  -6.245
  304    H4*    G  29           H4*        G  29  -9.446 -21.125  -8.094
  305    H3*    G  29           H3*        G  29  -8.268 -21.263  -5.323
  306    H2*    G  29           H2*        G  29  -6.180 -20.547  -6.227
  307   2HO*    G  29          2HO*        G  29  -6.415 -20.462  -8.810
  308    H1*    G  29           H1*        G  29  -7.346 -18.899  -8.295
  309    H8     G  29           H8         G  29  -8.721 -17.875  -5.018
  310    H1     G  29           H1         G  29  -2.819 -15.604  -6.091
  311   1H2     G  29          H21         G  29  -2.745 -17.864  -8.709
  312   2H2     G  29          H22         G  29  -1.910 -16.619  -7.808
  313   1H5*    C  30          1H5*        C  30  -5.367 -23.417  -7.697
  314   2H5*    C  30          2H5*        C  30  -4.949 -24.825  -6.701
  315    H4*    C  30           H4*        C  30  -2.983 -23.527  -7.324
  316    H3*    C  30           H3*        C  30  -3.645 -23.737  -4.402
  317    H2*    C  30           H2*        C  30  -1.721 -22.380  -3.895
  318   2HO*    C  30          2HO*        C  30  -1.006 -23.209  -6.454
  319    H1*    C  30           H1*        C  30  -2.163 -20.504  -5.922
  320   1H4     C  30          H41         C  30  -6.487 -18.994  -1.175
  321   2H4     C  30          H42         C  30  -5.114 -17.930  -0.936
  322    H5     C  30           H5         C  30  -6.521 -20.752  -2.826
  323    H6     C  30           H6         C  30  -5.251 -21.855  -4.591
  324   1H5*    U  31          1H5*        U  31   0.294 -23.714  -4.375
  325   2H5*    U  31          2H5*        U  31   0.854 -25.287  -3.774
  326    H4*    U  31           H4*        U  31   2.068 -23.714  -2.559
  327    H3*    U  31           H3*        U  31  -0.209 -24.771  -0.902
  328    H2*    U  31           H2*        U  31   0.497 -23.348   0.900
  329   2HO*    U  31          2HO*        U  31   2.813 -23.791   0.372
  330    H1*    U  31           H1*        U  31   1.044 -21.112  -0.729
  331    H3     U  31           H3         U  31  -2.601 -19.679   1.473
  332    H5     U  31           H5         U  31  -4.094 -22.614  -1.133
  333    H6     U  31           H6         U  31  -1.820 -23.138  -1.723
  334    H3T    U  31           H3T        U  31   1.586 -26.053  -1.494
  Start of MODEL    7
    1   1H5*    A   1          1H5*        A   1  -2.694  -9.273   7.042
    2   2H5*    A   1          2H5*        A   1  -3.216 -10.956   7.240
    3    H4*    A   1           H4*        A   1  -0.407  -9.907   7.555
    4    H3*    A   1           H3*        A   1  -1.742 -11.273   5.247
    5    H2*    A   1           H2*        A   1   0.237 -12.600   4.882
    6   2HO*    A   1          2HO*        A   1   2.163 -12.002   5.669
    7    H1*    A   1           H1*        A   1   0.617 -13.281   7.544
    8    H8     A   1           H8         A   1  -3.010 -13.278   7.527
    9   1H6     A   1          H61         A   1  -2.927 -18.658   4.458
   10   2H6     A   1          H62         A   1  -3.919 -17.536   5.364
   11    H2     A   1           H2         A   1   1.202 -16.912   4.321
   12    H5T    A   1           H5T        A   1  -2.873  -9.073   9.112
   13   1H5*    G   2          1H5*        G   2   1.839  -9.632   3.390
   14   2H5*    G   2          2H5*        G   2   1.336  -8.818   1.896
   15    H4*    G   2           H4*        G   2   3.148 -10.490   1.608
   16    H3*    G   2           H3*        G   2   0.600 -10.751   0.037
   17    H2*    G   2           H2*        G   2   1.484 -12.743  -0.998
   18   2HO*    G   2          2HO*        G   2   3.752 -11.573  -0.761
   19    H1*    G   2           H1*        G   2   2.522 -13.834   1.370
   20    H8     G   2           H8         G   2  -0.533 -12.514   2.732
   21    H1     G   2           H1         G   2  -1.681 -17.491  -1.148
   22   1H2     G   2          H21         G   2   1.554 -16.986  -2.268
   23   2H2     G   2          H22         G   2   0.079 -17.920  -2.384
   24   1H5*    U   3          1H5*        U   3   3.606 -10.246  -3.344
   25   2H5*    U   3          2H5*        U   3   2.755  -9.125  -4.423
   26    H4*    U   3           H4*        U   3   3.430 -11.075  -5.646
   27    H3*    U   3           H3*        U   3   0.449 -10.865  -5.238
   28    H2*    U   3           H2*        U   3   0.250 -12.845  -6.629
   29   2HO*    U   3          2HO*        U   3   3.050 -12.434  -7.024
   30    H1*    U   3           H1*        U   3   2.237 -14.237  -5.261
   31    H3     U   3           H3         U   3  -1.661 -16.052  -3.816
   32    H5     U   3           H5         U   3  -1.253 -12.501  -1.612
   33    H6     U   3           H6         U   3   0.628 -11.942  -3.007
   34   1H5*    A   4          1H5*        A   4   0.656 -10.279  -9.769
   35   2H5*    A   4          2H5*        A   4  -0.708  -9.188 -10.085
   36    H4*    A   4           H4*        A   4  -0.785 -11.342 -11.321
   37    H3*    A   4           H3*        A   4  -3.081 -10.572  -9.537
   38    H2*    A   4           H2*        A   4  -4.194 -12.626 -10.220
   39   2HO*    A   4          2HO*        A   4  -3.647 -13.016 -12.294
   40    H1*    A   4           H1*        A   4  -2.005 -14.222  -9.689
   41    H8     A   4           H8         A   4  -1.424 -11.647  -7.183
   42   1H6     A   4          H61         A   4  -5.929 -14.082  -3.715
   43   2H6     A   4          H62         A   4  -4.565 -12.986  -3.737
   44    H2     A   4           H2         A   4  -6.248 -15.829  -7.837
   45   1H5*    G   5          1H5*        G   5  -5.565 -10.059 -13.099
   46   2H5*    G   5          2H5*        G   5  -6.405  -8.527 -12.787
   47    H4*    G   5           H4*        G   5  -7.896 -10.495 -12.926
   48    H3*    G   5           H3*        G   5  -7.890  -8.871 -10.389
   49    H2*    G   5           H2*        G   5  -9.641 -10.326  -9.563
   50   2HO*    G   5          2HO*        G   5 -10.210 -12.134 -11.134
   51    H1*    G   5           H1*        G   5  -8.361 -12.682 -10.341
   52    H8     G   5           H8         G   5  -5.471 -10.728  -9.334
   53    H1     G   5           H1         G   5  -9.086 -12.398  -4.303
   54   1H2     G   5          H21         G   5 -11.499 -13.137  -6.656
   55   2H2     G   5          H22         G   5 -11.052 -13.064  -4.966
   56   1H5*    A   6          1H5*        A   6 -11.605  -9.774 -10.924
   57   2H5*    A   6          2H5*        A   6 -12.619  -8.330 -11.106
   58    H4*    A   6           H4*        A   6 -13.496 -10.003  -9.508
   59    H3*    A   6           H3*        A   6 -13.744  -7.327  -9.226
   60    H2*    A   6           H2*        A   6 -11.855  -6.958  -7.773
   61   2HO*    A   6          2HO*        A   6 -13.291  -7.900  -5.625
   62    H1*    A   6           H1*        A   6 -12.514  -9.572  -6.307
   63    H8     A   6           H8         A   6  -9.357  -8.513  -8.219
   64   1H6     A   6          H61         A   6  -6.616  -8.240  -2.675
   65   2H6     A   6          H62         A   6  -6.381  -8.126  -4.409
   66    H2     A   6           H2         A   6 -10.966  -9.151  -2.035
   67   1H5*    A   7          1H5*        A   7 -15.812  -8.687  -5.218
   68   2H5*    A   7          2H5*        A   7 -17.206  -7.597  -5.096
   69    H4*    A   7           H4*        A   7 -16.099  -7.428  -3.046
   70    H3*    A   7           H3*        A   7 -15.427  -5.042  -4.756
   71    H2*    A   7           H2*        A   7 -13.919  -4.294  -3.097
   72   2HO*    A   7          2HO*        A   7 -15.920  -5.108  -1.537
   73    H1*    A   7           H1*        A   7 -13.545  -6.984  -1.927
   74    H8     A   7           H8         A   7 -12.199  -6.212  -5.409
   75   1H6     A   7          H61         A   7  -6.822  -5.067  -2.549
   76   2H6     A   7          H62         A   7  -7.605  -5.265  -4.102
   77    H2     A   7           H2         A   7  -9.982  -5.602   0.581
   78   1H5*    A   8          1H5*        A   8 -18.270  -2.268  -1.153
   79   2H5*    A   8          2H5*        A   8 -17.210  -0.969  -1.732
   80    H4*    A   8           H4*        A   8 -17.331  -2.165   0.842
   81    H3*    A   8           H3*        A   8 -15.758   0.101  -0.339
   82    H2*    A   8           H2*        A   8 -14.239   0.005   1.532
   83   2HO*    A   8          2HO*        A   8 -14.704  -1.229   3.343
   84    H1*    A   8           H1*        A   8 -13.933  -2.753   1.506
   85    H8     A   8           H8         A   8 -14.415  -1.279  -1.981
   86   1H6     A   8          H61         A   8  -8.237  -0.902  -2.194
   87   2H6     A   8          H62         A   8  -9.717  -0.725  -3.111
   88    H2     A   8           H2         A   8  -9.415  -2.100   1.962
   89   1H5*    C   9          1H5*        C   9 -16.397   3.008   4.089
   90   2H5*    C   9          2H5*        C   9 -15.666   3.962   2.784
   91    H4*    C   9           H4*        C   9 -14.454   2.977   5.135
   92    H3*    C   9           H3*        C   9 -13.479   4.590   2.807
   93    H2*    C   9           H2*        C   9 -11.196   4.112   3.413
   94   2HO*    C   9          2HO*        C   9 -12.301   2.847   5.731
   95    H1*    C   9           H1*        C   9 -11.562   1.398   3.840
   96   1H4     C   9          H41         C   9 -11.846   1.944  -2.721
   97   2H4     C   9          H42         C   9 -10.142   1.750  -2.337
   98    H5     C   9           H5         C   9 -13.559   2.212  -1.014
   99    H6     C   9           H6         C   9 -13.972   2.334   1.385
  100   1H5*    A  10          1H5*        A  10 -11.365   8.566   5.667
  101   2H5*    A  10          2H5*        A  10 -10.535   8.365   4.111
  102    H4*    A  10           H4*        A  10  -9.701   7.485   6.846
  103    H3*    A  10           H3*        A  10  -8.827   9.659   5.644
  104    H2*    A  10           H2*        A  10  -8.103   8.818   3.529
  105   2HO*    A  10          2HO*        A  10  -5.870   7.766   4.865
  106    H1*    A  10           H1*        A  10  -6.960   6.239   4.569
  107    H8     A  10           H8         A  10 -10.416   6.245   3.109
  108   1H6     A  10          H61         A  10  -7.801   4.727  -2.292
  109   2H6     A  10          H62         A  10  -9.311   4.898  -1.425
  110    H2     A  10           H2         A  10  -4.532   5.833   0.575
  111   1H5*    A  11          1H5*        A  11  -4.166  11.371   6.564
  112   2H5*    A  11          2H5*        A  11  -4.992  10.704   5.142
  113    H4*    A  11           H4*        A  11  -2.592   9.527   6.538
  114    H3*    A  11           H3*        A  11  -2.794  11.196   4.055
  115    H2*    A  11           H2*        A  11  -1.179   9.791   2.965
  116   2HO*    A  11          2HO*        A  11  -0.846   8.214   5.283
  117    H1*    A  11           H1*        A  11  -2.224   7.360   3.876
  118    H8     A  11           H8         A  11  -5.352   9.032   3.185
  119   1H6     A  11          H61         A  11  -4.333   8.250  -2.873
  120   2H6     A  11          H62         A  11  -5.525   8.662  -1.660
  121    H2     A  11           H2         A  11  -0.494   7.449  -0.703
  122   1H5*    G  12          1H5*        G  12   1.588  11.047   4.977
  123   2H5*    G  12          2H5*        G  12   2.141  12.702   4.661
  124    H4*    G  12           H4*        G  12   3.427  10.941   3.480
  125    H3*    G  12           H3*        G  12   2.119  13.162   1.948
  126    H2*    G  12           H2*        G  12   2.900  12.187  -0.117
  127   2HO*    G  12          2HO*        G  12   4.771  11.170   1.506
  128    H1*    G  12           H1*        G  12   2.125   9.603   0.481
  129    H8     G  12           H8         G  12  -0.221  12.149   2.033
  130    H1     G  12           H1         G  12  -1.673  10.447  -3.980
  131   1H2     G  12          H21         G  12   1.388   8.841  -3.949
  132   2H2     G  12          H22         G  12  -0.062   9.242  -4.843
  133   1H5*    G  13          1H5*        G  13   5.769  12.192   0.039
  134   2H5*    G  13          2H5*        G  13   6.687  13.708  -0.039
  135    H4*    G  13           H4*        G  13   6.726  12.663  -2.185
  136    H3*    G  13           H3*        G  13   5.082  15.175  -2.057
  137    H2*    G  13           H2*        G  13   4.588  14.914  -4.405
  138   2HO*    G  13          2HO*        G  13   6.550  14.192  -5.204
  139    H1*    G  13           H1*        G  13   4.021  12.188  -4.248
  140    H8     G  13           H8         G  13   2.832  13.908  -1.123
  141    H1     G  13           H1         G  13  -1.298  14.149  -6.032
  142   1H2     G  13          H21         G  13   1.325  12.938  -7.920
  143   2H2     G  13          H22         G  13  -0.342  13.468  -7.872
  144   1H5*    C  14          1H5*        C  14   7.713  16.574  -5.534
  145   2H5*    C  14          2H5*        C  14   8.238  18.077  -4.753
  146    H4*    C  14           H4*        C  14   7.340  18.590  -6.905
  147    H3*    C  14           H3*        C  14   5.557  19.486  -4.643
  148    H2*    C  14           H2*        C  14   4.123  20.475  -6.311
  149   2HO*    C  14          2HO*        C  14   6.455  20.457  -7.724
  150    H1*    C  14           H1*        C  14   4.277  18.271  -8.066
  151   1H4     C  14          H41         C  14  -0.173  16.652  -3.481
  152   2H4     C  14          H42         C  14  -1.049  17.660  -4.622
  153    H5     C  14           H5         C  14   2.206  16.274  -3.634
  154    H6     C  14           H6         C  14   4.236  16.809  -4.874
  155   1H5*    U  15          1H5*        U  15   5.331  23.320  -6.672
  156   2H5*    U  15          2H5*        U  15   5.651  24.361  -5.271
  157    H4*    U  15           H4*        U  15   3.475  24.784  -6.349
  158    H3*    U  15           H3*        U  15   3.570  24.013  -3.453
  159    H2*    U  15           H2*        U  15   1.163  24.104  -3.363
  160   2HO*    U  15          2HO*        U  15   1.446  25.237  -5.967
  161    H1*    U  15           H1*        U  15   0.745  22.655  -5.679
  162    H3     U  15           H3         U  15  -0.051  19.686  -2.335
  163    H5     U  15           H5         U  15   4.125  19.739  -2.759
  164    H6     U  15           H6         U  15   3.874  21.598  -4.266
  165   1H5*    U  16          1H5*        U  16   1.846  28.915  -1.858
  166   2H5*    U  16          2H5*        U  16   1.213  27.688  -0.743
  167    H4*    U  16           H4*        U  16  -0.580  29.120  -1.319
  168    H3*    U  16           H3*        U  16  -1.029  26.547  -1.482
  169    H2*    U  16           H2*        U  16  -0.174  26.148  -3.709
  170   2HO*    U  16          2HO*        U  16  -2.942  26.757  -3.783
  171    H1*    U  16           H1*        U  16  -1.629  28.588  -4.811
  172    H3     U  16           H3         U  16   0.524  27.200  -8.569
  173    H5     U  16           H5         U  16   3.567  28.430  -5.947
  174    H6     U  16           H6         U  16   1.894  28.624  -4.224
  175   1H5*    C  17          1H5*        C  17  -4.369  25.669  -3.145
  176   2H5*    C  17          2H5*        C  17  -5.477  25.213  -1.837
  177    H4*    C  17           H4*        C  17  -4.693  23.418  -3.514
  178    H3*    C  17           H3*        C  17  -5.644  23.006  -0.985
  179    H2*    C  17           H2*        C  17  -3.465  23.072   0.097
  180   2HO*    C  17          2HO*        C  17  -4.469  20.586  -0.464
  181    H1*    C  17           H1*        C  17  -2.463  21.421  -2.307
  182   1H4     C  17          H41         C  17   3.113  23.936   0.017
  183   2H4     C  17          H42         C  17   3.116  22.294   0.645
  184    H5     C  17           H5         C  17   1.211  24.945  -1.048
  185    H6     C  17           H6         C  17  -1.049  24.555  -1.866
  186   1H5*    G  18          1H5*        G  18  -7.094  23.640  -2.561
  187   2H5*    G  18          2H5*        G  18  -8.677  23.160  -1.919
  188    H4*    G  18           H4*        G  18  -9.582  24.137  -3.684
  189    H3*    G  18           H3*        G  18  -8.476  21.694  -4.969
  190    H2*    G  18           H2*        G  18  -8.218  22.686  -7.051
  191   2HO*    G  18          2HO*        G  18 -10.758  23.057  -6.616
  192    H1*    G  18           H1*        G  18  -8.850  25.457  -6.046
  193    H8     G  18           H8         G  18  -7.777  26.460  -8.164
  194    H1     G  18           H1         G  18  -2.293  23.359  -6.932
  195   1H2     G  18          H21         G  18  -4.117  21.698  -4.517
  196   2H2     G  18          H22         G  18  -2.579  21.910  -5.322
  197   1H5*    G  19          1H5*        G  19  -9.270  18.175  -5.713
  198   2H5*    G  19          2H5*        G  19  -8.387  19.649  -5.280
  199    H4*    G  19           H4*        G  19  -9.296  19.494  -8.067
  200    H3*    G  19           H3*        G  19  -7.629  17.298  -7.017
  201    H2*    G  19           H2*        G  19  -5.810  17.676  -8.510
  202   2HO*    G  19          2HO*        G  19  -7.498  19.497  -9.919
  203    H1*    G  19           H1*        G  19  -5.805  20.446  -8.541
  204    H8     G  19           H8         G  19  -6.640  19.068  -5.101
  205    H1     G  19           H1         G  19  -0.381  19.824  -6.250
  206   1H2     G  19          H21         G  19  -1.332  20.408  -9.507
  207   2H2     G  19          H22         G  19  -0.022  20.259  -8.348
  208   1H5*    C  20          1H5*        C  20  -8.099  16.200 -11.145
  209   2H5*    C  20          2H5*        C  20  -8.602  14.502 -11.268
  210    H4*    C  20           H4*        C  20  -6.587  14.909 -12.546
  211    H3*    C  20           H3*        C  20  -6.426  13.022 -10.234
  212    H2*    C  20           H2*        C  20  -4.051  12.764 -10.554
  213   2HO*    C  20          2HO*        C  20  -4.705  13.845 -13.048
  214    H1*    C  20           H1*        C  20  -3.481  15.448 -10.833
  215   1H4     C  20          H41         C  20  -4.908  14.978  -4.434
  216   2H4     C  20          H42         C  20  -3.208  14.583  -4.538
  217    H5     C  20           H5         C  20  -6.302  15.310  -6.345
  218    H6     C  20           H6         C  20  -6.384  15.389  -8.761
  219   1H5*    C  21          1H5*        C  21  -3.741  11.345 -12.377
  220   2H5*    C  21          2H5*        C  21  -4.360   9.786 -12.956
  221    H4*    C  21           H4*        C  21  -2.228   9.363 -12.067
  222    H3*    C  21           H3*        C  21  -4.420   8.437 -10.231
  223    H2*    C  21           H2*        C  21  -2.771   7.702  -8.658
  224   2HO*    C  21          2HO*        C  21  -1.194   7.721 -10.964
  225    H1*    C  21           H1*        C  21  -0.993   9.877  -9.063
  226   1H4     C  21          H41         C  21  -5.380  11.953  -4.601
  227   2H4     C  21          H42         C  21  -4.183  11.059  -3.676
  228    H5     C  21           H5         C  21  -5.370  12.030  -7.025
  229    H6     C  21           H6         C  21  -4.210  11.275  -9.041
  230   1H5*    U  22          1H5*        U  22  -1.685   5.782 -10.091
  231   2H5*    U  22          2H5*        U  22  -2.206   4.099  -9.878
  232    H4*    U  22           H4*        U  22  -0.907   5.411  -7.996
  233    H3*    U  22           H3*        U  22  -2.990   3.291  -7.717
  234    H2*    U  22           H2*        U  22  -3.142   3.662  -5.345
  235   2HO*    U  22          2HO*        U  22  -0.967   5.490  -5.671
  236    H1*    U  22           H1*        U  22  -3.238   6.422  -5.449
  237    H3     U  22           H3         U  22  -7.415   4.521  -4.749
  238    H5     U  22           H5         U  22  -7.106   5.450  -8.833
  239    H6     U  22           H6         U  22  -4.758   5.849  -8.485
  240   1H5*    G  23          1H5*        G  23   0.241   0.326  -4.234
  241   2H5*    G  23          2H5*        G  23  -1.530   0.243  -4.196
  242    H4*    G  23           H4*        G  23   0.360   1.719  -2.429
  243    H3*    G  23           H3*        G  23  -1.894  -0.183  -1.996
  244    H2*    G  23           H2*        G  23  -2.642   1.012  -0.049
  245   2HO*    G  23          2HO*        G  23  -1.355   2.849   0.680
  246    H1*    G  23           H1*        G  23  -2.498   3.544  -1.129
  247    H8     G  23           H8         G  23  -3.356   1.704  -4.151
  248    H1     G  23           H1         G  23  -8.313   2.067  -0.098
  249   1H2     G  23          H21         G  23  -5.955   3.052   2.234
  250   2H2     G  23          H22         G  23  -7.634   2.708   1.885
  251   1H5*    C  24          1H5*        C  24   0.102  -0.006   2.043
  252   2H5*    C  24          2H5*        C  24   0.572  -1.708   2.219
  253    H4*    C  24           H4*        C  24  -0.387  -1.067   4.264
  254    H3*    C  24           H3*        C  24  -2.181  -2.822   2.630
  255    H2*    C  24           H2*        C  24  -3.913  -2.629   4.290
  256   2HO*    C  24          2HO*        C  24  -3.500  -1.785   6.312
  257    H1*    C  24           H1*        C  24  -3.681   0.117   4.649
  258   1H4     C  24          H41         C  24  -6.696  -0.662  -1.181
  259   2H4     C  24          H42         C  24  -7.944  -0.244  -0.019
  260    H5     C  24           H5         C  24  -4.387  -1.019  -0.555
  261    H6     C  24           H6         C  24  -2.806  -1.052   1.302
  262   1H5*    U  25          1H5*        U  25  -2.875  -4.011   6.122
  263   2H5*    U  25          2H5*        U  25  -3.067  -5.761   6.343
  264    H4*    U  25           H4*        U  25  -5.104  -4.459   6.836
  265    H3*    U  25           H3*        U  25  -5.175  -6.605   4.739
  266    H2*    U  25           H2*        U  25  -7.508  -6.099   4.342
  267   2HO*    U  25          2HO*        U  25  -7.686  -3.955   6.055
  268    H1*    U  25           H1*        U  25  -7.158  -3.362   4.189
  269    H3     U  25           H3         U  25  -7.569  -4.890  -0.092
  270    H5     U  25           H5         U  25  -3.480  -5.129   0.818
  271    H6     U  25           H6         U  25  -4.039  -4.650   3.110
  272   1H5*    U  26          1H5*        U  26  -8.470  -8.112   7.007
  273   2H5*    U  26          2H5*        U  26  -8.219  -9.867   7.064
  274    H4*    U  26           H4*        U  26 -10.326  -9.222   5.972
  275    H3*    U  26           H3*        U  26  -8.301 -10.734   4.331
  276    H2*    U  26           H2*        U  26  -9.873 -10.718   2.512
  277   2HO*    U  26          2HO*        U  26 -11.727 -11.157   3.869
  278    H1*    U  26           H1*        U  26 -10.724  -8.050   2.949
  279    H3     U  26           H3         U  26  -8.537  -8.419  -1.079
  280    H5     U  26           H5         U  26  -5.609  -7.532   1.800
  281    H6     U  26           H6         U  26  -7.270  -7.923   3.497
  282   1H5*    U  27          1H5*        U  27 -11.990 -13.108   4.157
  283   2H5*    U  27          2H5*        U  27 -11.520 -14.813   4.009
  284    H4*    U  27           H4*        U  27 -12.983 -13.978   2.186
  285    H3*    U  27           H3*        U  27 -10.309 -15.183   1.539
  286    H2*    U  27           H2*        U  27 -10.760 -14.817  -0.807
  287   2HO*    U  27          2HO*        U  27 -12.957 -15.263  -0.913
  288    H1*    U  27           H1*        U  27 -11.596 -12.190  -0.491
  289    H3     U  27           H3         U  27  -7.372 -11.875  -2.108
  290    H5     U  27           H5         U  27  -6.891 -12.570   2.005
  291    H6     U  27           H6         U  27  -9.251 -13.019   2.126
  292   1H5*    U  28          1H5*        U  28 -13.447 -17.805  -0.695
  293   2H5*    U  28          2H5*        U  28 -12.738 -19.421  -0.510
  294    H4*    U  28           H4*        U  28 -13.355 -18.916  -2.823
  295    H3*    U  28           H3*        U  28 -10.452 -19.440  -2.240
  296    H2*    U  28           H2*        U  28 -10.000 -19.174  -4.603
  297   2HO*    U  28          2HO*        U  28 -11.832 -18.719  -6.013
  298    H1*    U  28           H1*        U  28 -11.450 -16.820  -4.847
  299    H3     U  28           H3         U  28  -7.072 -15.587  -4.723
  300    H5     U  28           H5         U  28  -8.205 -16.022  -0.703
  301    H6     U  28           H6         U  28 -10.276 -16.980  -1.471
  302   1H5*    G  29          1H5*        G  29 -10.616 -23.121  -4.460
  303   2H5*    G  29          2H5*        G  29  -9.793 -24.280  -3.398
  304    H4*    G  29           H4*        G  29  -8.601 -23.846  -5.518
  305    H3*    G  29           H3*        G  29  -7.177 -23.214  -2.938
  306    H2*    G  29           H2*        G  29  -5.299 -22.479  -4.204
  307   2HO*    G  29          2HO*        G  29  -6.506 -23.797  -6.437
  308    H1*    G  29           H1*        G  29  -6.867 -21.543  -6.460
  309    H8     G  29           H8         G  29  -8.006 -19.897  -3.340
  310    H1     G  29           H1         G  29  -2.677 -17.292  -5.782
  311   1H2     G  29          H21         G  29  -2.577 -20.105  -7.790
  312   2H2     G  29          H22         G  29  -1.836 -18.586  -7.336
  313   1H5*    C  30          1H5*        C  30  -4.147 -24.884  -4.999
  314   2H5*    C  30          2H5*        C  30  -3.534 -26.224  -4.010
  315    H4*    C  30           H4*        C  30  -1.692 -24.843  -4.523
  316    H3*    C  30           H3*        C  30  -2.587 -24.526  -1.668
  317    H2*    C  30           H2*        C  30  -0.819 -22.932  -1.340
  318   2HO*    C  30          2HO*        C  30   0.104 -23.973  -3.826
  319    H1*    C  30           H1*        C  30  -1.151 -21.644  -3.834
  320   1H4     C  30          H41         C  30  -5.635 -19.054   0.264
  321   2H4     C  30          H42         C  30  -4.319 -17.896   0.166
  322    H5     C  30           H5         C  30  -5.562 -21.219  -0.810
  323    H6     C  30           H6         C  30  -4.218 -22.718  -2.188
  324   1H5*    U  31          1H5*        U  31   1.384 -24.320  -1.722
  325   2H5*    U  31          2H5*        U  31   2.043 -25.752  -0.908
  326    H4*    U  31           H4*        U  31   3.351 -23.984  -0.148
  327    H3*    U  31           H3*        U  31   1.281 -24.679   1.923
  328    H2*    U  31           H2*        U  31   2.179 -22.949   3.326
  329   2HO*    U  31          2HO*        U  31   4.172 -22.151   1.565
  330    H1*    U  31           H1*        U  31   2.532 -21.082   1.236
  331    H3     U  31           H3         U  31  -0.801 -19.191   3.595
  332    H5     U  31           H5         U  31  -2.624 -22.479   1.725
  333    H6     U  31           H6         U  31  -0.444 -23.159   0.963
  334    H3T    U  31           H3T        U  31   3.011 -26.076   1.376
  Start of MODEL    8
    1   1H5*    A   1          1H5*        A   1  -4.155 -11.361   7.674
    2   2H5*    A   1          2H5*        A   1  -4.216 -13.113   7.412
    3    H4*    A   1           H4*        A   1  -1.821 -11.505   8.287
    4    H3*    A   1           H3*        A   1  -2.600 -12.577   5.602
    5    H2*    A   1           H2*        A   1  -0.325 -13.270   5.201
    6   2HO*    A   1          2HO*        A   1   1.318 -12.402   6.292
    7    H1*    A   1           H1*        A   1   0.054 -14.467   7.665
    8    H8     A   1           H8         A   1  -3.448 -15.288   7.315
    9   1H6     A   1          H61         A   1  -1.975 -19.599   3.125
   10   2H6     A   1          H62         A   1  -3.235 -18.988   4.176
   11    H2     A   1           H2         A   1   1.607 -16.969   3.730
   12    H5T    A   1           H5T        A   1  -3.243 -12.244   9.870
   13   1H5*    G   2          1H5*        G   2   0.517 -10.145   4.462
   14   2H5*    G   2          2H5*        G   2   0.138  -9.266   2.968
   15    H4*    G   2           H4*        G   2   2.083 -10.803   2.807
   16    H3*    G   2           H3*        G   2  -0.239 -11.129   0.924
   17    H2*    G   2           H2*        G   2   0.918 -12.974  -0.108
   18   2HO*    G   2          2HO*        G   2   3.017 -12.025  -0.062
   19    H1*    G   2           H1*        G   2   1.787 -14.123   2.307
   20    H8     G   2           H8         G   2  -1.548 -13.208   3.314
   21    H1     G   2           H1         G   2  -1.648 -17.985  -0.963
   22   1H2     G   2          H21         G   2   1.635 -17.102  -1.597
   23   2H2     G   2          H22         G   2   0.289 -18.158  -1.965
   24   1H5*    U   3          1H5*        U   3   3.069 -10.260  -2.063
   25   2H5*    U   3          2H5*        U   3   2.283  -9.079  -3.128
   26    H4*    U   3           H4*        U   3   3.158 -10.863  -4.451
   27    H3*    U   3           H3*        U   3   0.156 -10.786  -4.307
   28    H2*    U   3           H2*        U   3   0.099 -12.710  -5.775
   29   2HO*    U   3          2HO*        U   3   1.741 -13.079  -7.085
   30    H1*    U   3           H1*        U   3   2.006 -14.146  -4.360
   31    H3     U   3           H3         U   3  -1.881 -16.078  -3.081
   32    H5     U   3           H5         U   3  -1.696 -12.524  -0.854
   33    H6     U   3           H6         U   3   0.244 -11.910  -2.137
   34   1H5*    A   4          1H5*        A   4   0.770 -10.034  -8.778
   35   2H5*    A   4          2H5*        A   4  -0.522  -8.876  -9.149
   36    H4*    A   4           H4*        A   4  -0.560 -10.928 -10.533
   37    H3*    A   4           H3*        A   4  -2.966 -10.181  -8.902
   38    H2*    A   4           H2*        A   4  -4.095 -12.164  -9.743
   39   2HO*    A   4          2HO*        A   4  -3.001 -12.011 -11.868
   40    H1*    A   4           H1*        A   4  -2.034 -13.870  -9.114
   41    H8     A   4           H8         A   4  -1.461 -11.388  -6.508
   42   1H6     A   4          H61         A   4  -6.278 -13.677  -3.373
   43   2H6     A   4          H62         A   4  -4.867 -12.648  -3.287
   44    H2     A   4           H2         A   4  -6.438 -15.301  -7.554
   45   1H5*    G   5          1H5*        G   5  -5.146  -9.450 -12.622
   46   2H5*    G   5          2H5*        G   5  -5.956  -7.901 -12.320
   47    H4*    G   5           H4*        G   5  -7.509  -9.782 -12.654
   48    H3*    G   5           H3*        G   5  -7.618  -8.304 -10.033
   49    H2*    G   5           H2*        G   5  -9.478  -9.728  -9.413
   50   2HO*    G   5          2HO*        G   5  -9.774 -11.472 -11.283
   51    H1*    G   5           H1*        G   5  -8.226 -12.087 -10.204
   52    H8     G   5           H8         G   5  -5.360 -10.211  -8.953
   53    H1     G   5           H1         G   5  -9.246 -12.113  -4.213
   54   1H2     G   5          H21         G   5 -11.528 -12.727  -6.727
   55   2H2     G   5          H22         G   5 -11.174 -12.742  -5.014
   56   1H5*    A   6          1H5*        A   6 -11.386  -9.178 -10.764
   57   2H5*    A   6          2H5*        A   6 -12.285  -7.663 -10.971
   58    H4*    A   6           H4*        A   6 -13.374  -9.300  -9.470
   59    H3*    A   6           H3*        A   6 -13.450  -6.620  -9.134
   60    H2*    A   6           H2*        A   6 -11.620  -6.432  -7.568
   61   2HO*    A   6          2HO*        A   6 -13.875  -6.041  -6.552
   62    H1*    A   6           H1*        A   6 -12.592  -9.008  -6.212
   63    H8     A   6           H8         A   6  -9.228  -8.134  -7.851
   64   1H6     A   6          H61         A   6  -6.899  -8.255  -2.116
   65   2H6     A   6          H62         A   6  -6.526  -8.097  -3.822
   66    H2     A   6           H2         A   6 -11.335  -8.887  -1.832
   67   1H5*    A   7          1H5*        A   7 -15.826  -7.952  -5.287
   68   2H5*    A   7          2H5*        A   7 -17.148  -6.772  -5.198
   69    H4*    A   7           H4*        A   7 -16.149  -6.746  -3.088
   70    H3*    A   7           H3*        A   7 -15.226  -4.360  -4.678
   71    H2*    A   7           H2*        A   7 -13.762  -3.770  -2.918
   72   2HO*    A   7          2HO*        A   7 -15.894  -4.467  -1.497
   73    H1*    A   7           H1*        A   7 -13.637  -6.513  -1.821
   74    H8     A   7           H8         A   7 -12.050  -5.707  -5.198
   75   1H6     A   7          H61         A   7  -6.766  -5.106  -2.017
   76   2H6     A   7          H62         A   7  -7.479  -5.171  -3.616
   77    H2     A   7           H2         A   7 -10.120  -5.548   0.921
   78   1H5*    A   8          1H5*        A   8 -17.816  -1.376  -1.108
   79   2H5*    A   8          2H5*        A   8 -16.645  -0.208  -1.750
   80    H4*    A   8           H4*        A   8 -16.805  -1.299   0.852
   81    H3*    A   8           H3*        A   8 -14.947   0.655  -0.471
   82    H2*    A   8           H2*        A   8 -13.419   0.415   1.367
   83   2HO*    A   8          2HO*        A   8 -15.389  -1.220   2.631
   84    H1*    A   8           H1*        A   8 -13.642  -2.366   1.571
   85    H8     A   8           H8         A   8 -13.671  -1.344  -2.058
   86   1H6     A   8          H61         A   8  -7.488  -1.561  -1.800
   87   2H6     A   8          H62         A   8  -8.876  -1.407  -2.854
   88    H2     A   8           H2         A   8  -9.069  -1.955   2.378
   89   1H5*    C   9          1H5*        C   9 -15.673   2.444   4.273
   90   2H5*    C   9          2H5*        C   9 -15.260   4.051   3.644
   91    H4*    C   9           H4*        C   9 -13.918   2.971   5.619
   92    H3*    C   9           H3*        C   9 -12.869   4.706   3.419
   93    H2*    C   9           H2*        C   9 -10.609   4.331   4.156
   94   2HO*    C   9          2HO*        C   9 -11.862   3.088   6.405
   95    H1*    C   9           H1*        C   9 -10.850   1.589   4.521
   96   1H4     C   9          H41         C   9 -10.674   2.309  -2.036
   97   2H4     C   9          H42         C   9  -9.030   1.946  -1.533
   98    H5     C   9           H5         C   9 -12.485   2.669  -0.453
   99    H6     C   9           H6         C   9 -13.074   2.738   1.909
  100   1H5*    A  10          1H5*        A  10 -10.380   6.166   6.699
  101   2H5*    A  10          2H5*        A  10 -10.116   7.850   6.205
  102    H4*    A  10           H4*        A  10  -8.151   6.119   6.231
  103    H3*    A  10           H3*        A  10  -8.604   8.294   4.210
  104    H2*    A  10           H2*        A  10  -6.720   7.507   2.954
  105   2HO*    A  10          2HO*        A  10  -5.106   6.894   4.211
  106    H1*    A  10           H1*        A  10  -7.247   4.756   3.315
  107    H8     A  10           H8         A  10 -10.575   5.980   2.534
  108   1H6     A  10          H61         A  10  -8.911   6.407  -3.414
  109   2H6     A  10          H62         A  10 -10.257   6.414  -2.297
  110    H2     A  10           H2         A  10  -5.195   5.865  -0.966
  111   1H5*    A  11          1H5*        A  11  -4.261  11.512   5.865
  112   2H5*    A  11          2H5*        A  11  -4.354  10.946   4.185
  113    H4*    A  11           H4*        A  11  -2.398  10.287   6.329
  114    H3*    A  11           H3*        A  11  -2.209  11.245   3.524
  115    H2*    A  11           H2*        A  11  -0.364   9.811   3.007
  116   2HO*    A  11          2HO*        A  11   0.399  10.242   5.370
  117    H1*    A  11           H1*        A  11  -1.287   7.518   4.248
  118    H8     A  11           H8         A  11  -4.506   8.701   3.110
  119   1H6     A  11          H61         A  11  -3.032   6.988  -2.654
  120   2H6     A  11          H62         A  11  -4.330   7.488  -1.593
  121    H2     A  11           H2         A  11   0.713   6.945  -0.191
  122   1H5*    G  12          1H5*        G  12   1.697  11.931   4.788
  123   2H5*    G  12          2H5*        G  12   2.228  13.567   4.354
  124    H4*    G  12           H4*        G  12   3.642  11.748   3.440
  125    H3*    G  12           H3*        G  12   2.412  13.801   1.647
  126    H2*    G  12           H2*        G  12   3.278  12.663  -0.298
  127   2HO*    G  12          2HO*        G  12   4.452  10.684   1.351
  128    H1*    G  12           H1*        G  12   2.458  10.146   0.437
  129    H8     G  12           H8         G  12   0.135  12.822   1.812
  130    H1     G  12           H1         G  12  -1.346  10.709  -4.057
  131   1H2     G  12          H21         G  12   1.685   9.046  -3.903
  132   2H2     G  12          H22         G  12   0.243   9.407  -4.826
  133   1H5*    G  13          1H5*        G  13   6.160  12.868  -0.146
  134   2H5*    G  13          2H5*        G  13   6.948  14.440  -0.384
  135    H4*    G  13           H4*        G  13   6.943  13.204  -2.444
  136    H3*    G  13           H3*        G  13   5.201  15.653  -2.418
  137    H2*    G  13           H2*        G  13   4.615  15.195  -4.714
  138   2HO*    G  13          2HO*        G  13   6.001  14.150  -5.942
  139    H1*    G  13           H1*        G  13   4.181  12.466  -4.326
  140    H8     G  13           H8         G  13   3.042  14.407  -1.306
  141    H1     G  13           H1         G  13  -1.284  14.028  -6.031
  142   1H2     G  13          H21         G  13   1.311  12.750  -7.912
  143   2H2     G  13          H22         G  13  -0.374  13.216  -7.840
  144   1H5*    C  14          1H5*        C  14   7.453  16.736  -6.091
  145   2H5*    C  14          2H5*        C  14   8.139  18.274  -5.533
  146    H4*    C  14           H4*        C  14   7.109  18.739  -7.583
  147    H3*    C  14           H3*        C  14   5.348  19.675  -5.320
  148    H2*    C  14           H2*        C  14   3.846  20.550  -6.997
  149   2HO*    C  14          2HO*        C  14   5.221  19.685  -9.210
  150    H1*    C  14           H1*        C  14   3.992  18.264  -8.630
  151   1H4     C  14          H41         C  14  -0.158  16.762  -3.729
  152   2H4     C  14          H42         C  14  -1.132  17.641  -4.898
  153    H5     C  14           H5         C  14   2.227  16.479  -3.970
  154    H6     C  14           H6         C  14   4.172  17.013  -5.341
  155   1H5*    U  15          1H5*        U  15   5.007  23.480  -7.419
  156   2H5*    U  15          2H5*        U  15   5.298  24.545  -6.031
  157    H4*    U  15           H4*        U  15   3.093  24.845  -7.134
  158    H3*    U  15           H3*        U  15   3.256  24.237  -4.200
  159    H2*    U  15           H2*        U  15   0.846  24.285  -4.085
  160   2HO*    U  15          2HO*        U  15  -0.150  24.618  -6.365
  161    H1*    U  15           H1*        U  15   0.448  22.674  -6.292
  162    H3     U  15           H3         U  15  -0.192  20.040  -2.618
  163    H5     U  15           H5         U  15   3.937  19.934  -3.374
  164    H6     U  15           H6         U  15   3.609  21.684  -4.992
  165   1H5*    U  16          1H5*        U  16   1.614  29.259  -3.076
  166   2H5*    U  16          2H5*        U  16   1.008  28.301  -1.711
  167    H4*    U  16           H4*        U  16  -0.815  29.565  -2.439
  168    H3*    U  16           H3*        U  16  -1.256  26.987  -2.287
  169    H2*    U  16           H2*        U  16  -0.436  26.351  -4.477
  170   2HO*    U  16          2HO*        U  16  -2.358  25.452  -4.811
  171    H1*    U  16           H1*        U  16  -1.974  28.646  -5.778
  172    H3     U  16           H3         U  16  -0.038  27.093  -9.563
  173    H5     U  16           H5         U  16   3.192  28.119  -7.079
  174    H6     U  16           H6         U  16   1.601  28.497  -5.305
  175   1H5*    C  17          1H5*        C  17  -4.727  26.084  -3.755
  176   2H5*    C  17          2H5*        C  17  -5.789  25.701  -2.387
  177    H4*    C  17           H4*        C  17  -5.074  23.823  -4.003
  178    H3*    C  17           H3*        C  17  -5.946  23.539  -1.430
  179    H2*    C  17           H2*        C  17  -3.732  23.636  -0.421
  180   2HO*    C  17          2HO*        C  17  -4.065  20.906  -1.221
  181    H1*    C  17           H1*        C  17  -2.818  21.864  -2.775
  182   1H4     C  17          H41         C  17   2.844  24.433  -0.733
  183   2H4     C  17          H42         C  17   2.834  22.834  -0.003
  184    H5     C  17           H5         C  17   0.927  25.399  -1.828
  185    H6     C  17           H6         C  17  -1.361  24.990  -2.554
  186   1H5*    G  18          1H5*        G  18  -7.404  23.739  -3.096
  187   2H5*    G  18          2H5*        G  18  -8.943  23.551  -2.234
  188    H4*    G  18           H4*        G  18 -10.059  23.963  -4.089
  189    H3*    G  18           H3*        G  18  -8.740  21.476  -5.040
  190    H2*    G  18           H2*        G  18  -8.621  22.170  -7.256
  191   2HO*    G  18          2HO*        G  18 -11.226  22.662  -6.621
  192    H1*    G  18           H1*        G  18  -9.517  24.983  -6.644
  193    H8     G  18           H8         G  18  -8.598  25.770  -8.916
  194    H1     G  18           H1         G  18  -2.796  23.441  -7.460
  195   1H2     G  18          H21         G  18  -4.385  21.979  -4.765
  196   2H2     G  18          H22         G  18  -2.894  22.224  -5.645
  197   1H5*    G  19          1H5*        G  19  -9.237  17.841  -5.453
  198   2H5*    G  19          2H5*        G  19  -8.488  19.434  -5.244
  199    H4*    G  19           H4*        G  19  -9.542  18.950  -7.925
  200    H3*    G  19           H3*        G  19  -7.715  16.911  -6.824
  201    H2*    G  19           H2*        G  19  -6.010  17.240  -8.456
  202   2HO*    G  19          2HO*        G  19  -6.504  17.886 -10.442
  203    H1*    G  19           H1*        G  19  -6.120  19.999  -8.687
  204    H8     G  19           H8         G  19  -6.714  18.826  -5.120
  205    H1     G  19           H1         G  19  -0.568  19.796  -6.649
  206   1H2     G  19          H21         G  19  -1.713  20.116  -9.881
  207   2H2     G  19          H22         G  19  -0.341  20.108  -8.786
  208   1H5*    C  20          1H5*        C  20  -8.423  15.379 -10.858
  209   2H5*    C  20          2H5*        C  20  -8.846  13.661 -10.719
  210    H4*    C  20           H4*        C  20  -6.955  14.022 -12.212
  211    H3*    C  20           H3*        C  20  -6.568  12.362  -9.757
  212    H2*    C  20           H2*        C  20  -4.216  12.130 -10.232
  213   2HO*    C  20          2HO*        C  20  -3.362  12.924 -12.203
  214    H1*    C  20           H1*        C  20  -3.749  14.791 -10.778
  215   1H4     C  20          H41         C  20  -4.748  14.838  -4.279
  216   2H4     C  20          H42         C  20  -3.058  14.427  -4.461
  217    H5     C  20           H5         C  20  -6.262  15.019  -6.121
  218    H6     C  20           H6         C  20  -6.495  14.902  -8.526
  219   1H5*    C  21          1H5*        C  21  -4.003  10.492 -11.949
  220   2H5*    C  21          2H5*        C  21  -4.639   8.870 -12.287
  221    H4*    C  21           H4*        C  21  -2.422   8.603 -11.522
  222    H3*    C  21           H3*        C  21  -4.463   7.802  -9.466
  223    H2*    C  21           H2*        C  21  -2.694   7.269  -7.943
  224   2HO*    C  21          2HO*        C  21  -1.276   7.084 -10.338
  225    H1*    C  21           H1*        C  21  -1.019   9.440  -8.668
  226   1H4     C  21          H41         C  21  -5.187  11.804  -4.141
  227   2H4     C  21          H42         C  21  -3.938  10.989  -3.213
  228    H5     C  21           H5         C  21  -5.298  11.701  -6.559
  229    H6     C  21           H6         C  21  -4.240  10.800  -8.568
  230   1H5*    U  22          1H5*        U  22  -1.610   5.252  -9.242
  231   2H5*    U  22          2H5*        U  22  -2.059   3.592  -8.805
  232    H4*    U  22           H4*        U  22  -0.694   5.195  -7.182
  233    H3*    U  22           H3*        U  22  -2.577   2.971  -6.531
  234    H2*    U  22           H2*        U  22  -2.583   3.579  -4.202
  235   2HO*    U  22          2HO*        U  22  -0.473   4.145  -3.818
  236    H1*    U  22           H1*        U  22  -2.942   6.288  -4.576
  237    H3     U  22           H3         U  22  -6.882   4.145  -3.403
  238    H5     U  22           H5         U  22  -6.887   4.598  -7.579
  239    H6     U  22           H6         U  22  -4.571   5.236  -7.436
  240   1H5*    G  23          1H5*        G  23   1.578   1.320  -3.632
  241   2H5*    G  23          2H5*        G  23   0.505  -0.084  -3.464
  242    H4*    G  23           H4*        G  23   1.415   1.497  -1.423
  243    H3*    G  23           H3*        G  23  -0.843  -0.462  -1.585
  244    H2*    G  23           H2*        G  23  -1.684   0.301   0.540
  245   2HO*    G  23          2HO*        G  23   0.729   1.838   0.637
  246    H1*    G  23           H1*        G  23  -1.488   3.005  -0.020
  247    H8     G  23           H8         G  23  -2.246   1.473  -3.306
  248    H1     G  23           H1         G  23  -7.387   1.901   0.505
  249   1H2     G  23          H21         G  23  -5.109   2.598   3.011
  250   2H2     G  23          H22         G  23  -6.783   2.376   2.555
  251   1H5*    C  24          1H5*        C  24   1.465  -2.474   2.716
  252   2H5*    C  24          2H5*        C  24   0.324  -3.784   2.353
  253    H4*    C  24           H4*        C  24   0.348  -2.404   4.659
  254    H3*    C  24           H3*        C  24  -1.931  -3.809   3.297
  255    H2*    C  24           H2*        C  24  -3.429  -2.940   4.975
  256   2HO*    C  24          2HO*        C  24  -1.995  -3.169   6.772
  257    H1*    C  24           H1*        C  24  -2.421  -0.341   4.913
  258   1H4     C  24          H41         C  24  -6.026  -0.931  -0.585
  259   2H4     C  24          H42         C  24  -7.097  -0.245   0.625
  260    H5     C  24           H5         C  24  -3.775  -1.659  -0.084
  261    H6     C  24           H6         C  24  -2.094  -1.881   1.670
  262   1H5*    U  25          1H5*        U  25  -3.249  -4.564   6.944
  263   2H5*    U  25          2H5*        U  25  -3.491  -6.320   7.037
  264    H4*    U  25           H4*        U  25  -5.528  -4.981   7.474
  265    H3*    U  25           H3*        U  25  -5.514  -7.021   5.270
  266    H2*    U  25           H2*        U  25  -7.813  -6.445   4.781
  267   2HO*    U  25          2HO*        U  25  -8.785  -6.024   6.688
  268    H1*    U  25           H1*        U  25  -7.396  -3.711   4.792
  269    H3     U  25           H3         U  25  -7.627  -4.902   0.407
  270    H5     U  25           H5         U  25  -3.635  -5.558   1.521
  271    H6     U  25           H6         U  25  -4.284  -5.155   3.804
  272   1H5*    U  26          1H5*        U  26  -8.931  -8.669   7.396
  273   2H5*    U  26          2H5*        U  26  -8.699 -10.424   7.269
  274    H4*    U  26           H4*        U  26 -10.783  -9.608   6.222
  275    H3*    U  26           H3*        U  26  -8.777 -11.042   4.489
  276    H2*    U  26           H2*        U  26 -10.329 -10.834   2.664
  277   2HO*    U  26          2HO*        U  26 -12.443  -9.730   3.300
  278    H1*    U  26           H1*        U  26 -11.096  -8.183   3.302
  279    H3     U  26           H3         U  26  -8.869  -8.306  -0.717
  280    H5     U  26           H5         U  26  -5.948  -7.764   2.251
  281    H6     U  26           H6         U  26  -7.641  -8.232   3.895
  282   1H5*    U  27          1H5*        U  27 -12.603 -13.225   4.009
  283   2H5*    U  27          2H5*        U  27 -12.159 -14.927   3.772
  284    H4*    U  27           H4*        U  27 -13.575 -13.968   1.975
  285    H3*    U  27           H3*        U  27 -10.907 -15.174   1.304
  286    H2*    U  27           H2*        U  27 -11.329 -14.676  -1.029
  287   2HO*    U  27          2HO*        U  27 -13.429 -13.420  -1.361
  288    H1*    U  27           H1*        U  27 -12.051 -12.047  -0.574
  289    H3     U  27           H3         U  27  -7.736 -11.901  -2.003
  290    H5     U  27           H5         U  27  -7.491 -12.713   2.109
  291    H6     U  27           H6         U  27  -9.872 -13.059   2.103
  292   1H5*    U  28          1H5*        U  28 -13.853 -17.846  -1.045
  293   2H5*    U  28          2H5*        U  28 -13.080 -19.439  -0.933
  294    H4*    U  28           H4*        U  28 -13.590 -18.769  -3.238
  295    H3*    U  28           H3*        U  28 -10.702 -19.249  -2.534
  296    H2*    U  28           H2*        U  28 -10.171 -18.836  -4.865
  297   2HO*    U  28          2HO*        U  28 -13.004 -18.609  -5.208
  298    H1*    U  28           H1*        U  28 -11.645 -16.491  -4.993
  299    H3     U  28           H3         U  28  -7.254 -15.306  -4.579
  300    H5     U  28           H5         U  28  -8.643 -15.871  -0.656
  301    H6     U  28           H6         U  28 -10.660 -16.799  -1.586
  302   1H5*    G  29          1H5*        G  29 -10.616 -22.811  -4.954
  303   2H5*    G  29          2H5*        G  29  -9.786 -23.986  -3.915
  304    H4*    G  29           H4*        G  29  -8.525 -23.380  -5.954
  305    H3*    G  29           H3*        G  29  -7.252 -22.853  -3.275
  306    H2*    G  29           H2*        G  29  -5.347 -21.959  -4.400
  307   2HO*    G  29          2HO*        G  29  -4.720 -22.840  -6.234
  308    H1*    G  29           H1*        G  29  -6.833 -20.867  -6.616
  309    H8     G  29           H8         G  29  -8.313 -19.610  -3.467
  310    H1     G  29           H1         G  29  -2.907 -16.570  -5.098
  311   1H2     G  29          H21         G  29  -2.492 -19.144  -7.371
  312   2H2     G  29          H22         G  29  -1.868 -17.657  -6.693
  313   1H5*    C  30          1H5*        C  30  -4.193 -24.987  -5.667
  314   2H5*    C  30          2H5*        C  30  -3.436 -26.083  -4.495
  315    H4*    C  30           H4*        C  30  -1.831 -24.643  -5.690
  316    H3*    C  30           H3*        C  30  -1.976 -24.543  -2.696
  317    H2*    C  30           H2*        C  30  -0.278 -22.835  -2.671
  318   2HO*    C  30          2HO*        C  30   0.199 -23.883  -5.193
  319    H1*    C  30           H1*        C  30  -1.366 -21.313  -4.731
  320   1H4     C  30          H41         C  30  -5.260 -20.154   0.464
  321   2H4     C  30          H42         C  30  -4.078 -18.860   0.452
  322    H5     C  30           H5         C  30  -5.179 -22.028  -1.053
  323    H6     C  30           H6         C  30  -3.956 -23.046  -2.901
  324   1H5*    U  31          1H5*        U  31   1.981 -23.934  -3.807
  325   2H5*    U  31          2H5*        U  31   2.925 -25.223  -3.034
  326    H4*    U  31           H4*        U  31   4.011 -23.127  -2.664
  327    H3*    U  31           H3*        U  31   2.769 -24.324  -0.200
  328    H2*    U  31           H2*        U  31   3.588 -22.455   1.067
  329   2HO*    U  31          2HO*        U  31   5.650 -22.419  -0.103
  330    H1*    U  31           H1*        U  31   2.943 -20.517  -0.877
  331    H3     U  31           H3         U  31  -0.048 -19.540   2.335
  332    H5     U  31           H5         U  31  -1.436 -23.167   0.733
  333    H6     U  31           H6         U  31   0.582 -23.275  -0.574
  334    H3T    U  31           H3T        U  31   4.471 -25.402  -0.922
  Start of MODEL    9
    1   1H5*    A   1          1H5*        A   1  -2.062 -11.598   7.262
    2   2H5*    A   1          2H5*        A   1  -2.588 -13.218   7.753
    3    H4*    A   1           H4*        A   1   0.318 -12.764   7.794
    4    H3*    A   1           H3*        A   1  -1.177 -12.540   5.197
    5    H2*    A   1           H2*        A   1   0.526 -13.920   4.167
    6   2HO*    A   1          2HO*        A   1   2.014 -12.944   6.143
    7    H1*    A   1           H1*        A   1   0.505 -15.849   6.155
    8    H8     A   1           H8         A   1  -3.014 -14.778   6.152
    9   1H6     A   1          H61         A   1  -3.914 -18.279   1.126
   10   2H6     A   1          H62         A   1  -4.693 -17.364   2.396
   11    H2     A   1           H2         A   1   0.507 -17.931   1.806
   12    H5T    A   1           H5T        A   1  -1.754 -11.221   9.288
   13   1H5*    G   2          1H5*        G   2   2.649 -11.115   3.786
   14   2H5*    G   2          2H5*        G   2   2.277  -9.655   2.849
   15    H4*    G   2           H4*        G   2   3.492 -11.309   1.531
   16    H3*    G   2           H3*        G   2   0.705 -10.611   0.637
   17    H2*    G   2           H2*        G   2   0.928 -12.154  -1.172
   18   2HO*    G   2          2HO*        G   2   2.903 -11.767  -2.013
   19    H1*    G   2           H1*        G   2   2.464 -14.078   0.276
   20    H8     G   2           H8         G   2  -0.406 -13.290   2.422
   21    H1     G   2           H1         G   2  -2.016 -17.037  -2.526
   22   1H2     G   2          H21         G   2   1.079 -16.179  -3.812
   23   2H2     G   2          H22         G   2  -0.412 -17.074  -4.014
   24   1H5*    U   3          1H5*        U   3   3.746  -9.920  -2.747
   25   2H5*    U   3          2H5*        U   3   3.062  -8.575  -3.680
   26    H4*    U   3           H4*        U   3   3.695 -10.469  -5.091
   27    H3*    U   3           H3*        U   3   0.773  -9.732  -5.023
   28    H2*    U   3           H2*        U   3   0.400 -11.459  -6.674
   29   2HO*    U   3          2HO*        U   3   2.700 -10.886  -7.551
   30    H1*    U   3           H1*        U   3   2.001 -13.359  -5.379
   31    H3     U   3           H3         U   3  -2.157 -14.911  -4.583
   32    H5     U   3           H5         U   3  -1.791 -11.610  -2.015
   33    H6     U   3           H6         U   3   0.310 -11.113  -3.078
   34   1H5*    A   4          1H5*        A   4   1.402  -9.104  -9.377
   35   2H5*    A   4          2H5*        A   4   0.742  -7.471  -9.592
   36    H4*    A   4           H4*        A   4  -0.264  -9.014 -11.150
   37    H3*    A   4           H3*        A   4  -2.088  -7.844  -9.075
   38    H2*    A   4           H2*        A   4  -3.927  -9.105 -10.035
   39   2HO*    A   4          2HO*        A   4  -2.412  -9.021 -12.212
   40    H1*    A   4           H1*        A   4  -2.579 -11.503 -10.021
   41    H8     A   4           H8         A   4  -0.938  -9.941  -7.160
   42   1H6     A   4          H61         A   4  -5.962 -11.146  -3.750
   43   2H6     A   4          H62         A   4  -4.277 -10.679  -3.707
   44    H2     A   4           H2         A   4  -7.039 -11.710  -8.068
   45   1H5*    G   5          1H5*        G   5  -4.121  -5.697 -12.311
   46   2H5*    G   5          2H5*        G   5  -4.362  -4.077 -11.630
   47    H4*    G   5           H4*        G   5  -6.458  -5.282 -12.109
   48    H3*    G   5           H3*        G   5  -5.946  -4.442  -9.259
   49    H2*    G   5           H2*        G   5  -8.137  -5.324  -8.718
   50   2HO*    G   5          2HO*        G   5  -8.511  -6.093 -11.419
   51    H1*    G   5           H1*        G   5  -7.764  -7.713 -10.116
   52    H8     G   5           H8         G   5  -4.422  -7.051  -8.722
   53    H1     G   5           H1         G   5  -8.650  -8.941  -4.279
   54   1H2     G   5          H21         G   5 -11.020  -8.340  -6.707
   55   2H2     G   5          H22         G   5 -10.680  -8.859  -5.071
   56   1H5*    A   6          1H5*        A   6  -9.559  -3.890 -10.200
   57   2H5*    A   6          2H5*        A   6 -10.298  -2.303  -9.923
   58    H4*    A   6           H4*        A   6 -11.618  -4.230  -9.077
   59    H3*    A   6           H3*        A   6 -11.496  -1.787  -7.903
   60    H2*    A   6           H2*        A   6  -9.776  -2.318  -6.284
   61   2HO*    A   6          2HO*        A   6 -11.596  -1.762  -5.032
   62    H1*    A   6           H1*        A   6 -11.133  -5.059  -5.928
   63    H8     A   6           H8         A   6  -7.517  -4.151  -6.856
   64   1H6     A   6          H61         A   6  -5.974  -6.464  -1.324
   65   2H6     A   6          H62         A   6  -5.372  -5.816  -2.838
   66    H2     A   6           H2         A   6 -10.454  -6.488  -1.641
   67   1H5*    A   7          1H5*        A   7 -14.109  -3.983  -4.759
   68   2H5*    A   7          2H5*        A   7 -15.407  -2.833  -4.383
   69    H4*    A   7           H4*        A   7 -14.571  -3.359  -2.302
   70    H3*    A   7           H3*        A   7 -13.231  -0.810  -3.186
   71    H2*    A   7           H2*        A   7 -11.872  -0.874  -1.249
   72   2HO*    A   7          2HO*        A   7 -14.188  -2.029  -0.231
   73    H1*    A   7           H1*        A   7 -12.149  -3.795  -0.895
   74    H8     A   7           H8         A   7 -10.224  -2.380  -3.874
   75   1H6     A   7          H61         A   7  -5.160  -3.263  -0.425
   76   2H6     A   7          H62         A   7  -5.760  -2.832  -2.010
   77    H2     A   7           H2         A   7  -8.752  -4.033   2.151
   78   1H5*    A   8          1H5*        A   8 -14.810   2.444   0.236
   79   2H5*    A   8          2H5*        A   8 -13.088   2.826   0.043
   80    H4*    A   8           H4*        A   8 -14.467   1.248   2.094
   81    H3*    A   8           H3*        A   8 -11.941   2.877   2.000
   82    H2*    A   8           H2*        A   8 -11.115   1.631   3.880
   83   2HO*    A   8          2HO*        A   8 -13.756   0.544   4.024
   84    H1*    A   8           H1*        A   8 -12.069  -0.870   2.990
   85    H8     A   8           H8         A   8 -10.663   0.681  -0.045
   86   1H6     A   8          H61         A   8  -5.043  -0.989   1.958
   87   2H6     A   8          H62         A   8  -5.954  -0.391   0.590
   88    H2     A   8           H2         A   8  -7.936  -1.510   5.337
   89   1H5*    C   9          1H5*        C   9 -12.841   4.396   6.891
   90   2H5*    C   9          2H5*        C   9 -12.146   5.843   6.133
   91    H4*    C   9           H4*        C   9 -10.957   4.584   8.130
   92    H3*    C   9           H3*        C   9  -9.695   6.034   5.831
   93    H2*    C   9           H2*        C   9  -7.519   5.296   6.549
   94   2HO*    C   9          2HO*        C   9  -8.263   5.525   8.881
   95    H1*    C   9           H1*        C   9  -8.247   2.654   7.037
   96   1H4     C   9          H41         C   9  -7.965   3.023   0.464
   97   2H4     C   9          H42         C   9  -6.329   2.646   0.982
   98    H5     C   9           H5         C   9  -9.756   3.538   2.024
   99    H6     C   9           H6         C   9 -10.333   3.780   4.380
  100   1H5*    A  10          1H5*        A  10  -6.661   9.628   7.719
  101   2H5*    A  10          2H5*        A  10  -7.237   9.653   6.041
  102    H4*    A  10           H4*        A  10  -4.765   8.575   7.190
  103    H3*    A  10           H3*        A  10  -5.564   9.789   4.578
  104    H2*    A  10           H2*        A  10  -3.904   8.519   3.408
  105   2HO*    A  10          2HO*        A  10  -2.192   7.626   4.437
  106    H1*    A  10           H1*        A  10  -4.332   6.099   4.715
  107    H8     A  10           H8         A  10  -7.783   7.139   4.511
  108   1H6     A  10          H61         A  10  -7.765   5.813  -1.537
  109   2H6     A  10          H62         A  10  -8.769   6.171  -0.149
  110    H2     A  10           H2         A  10  -3.512   5.903  -0.120
  111   1H5*    A  11          1H5*        A  11  -1.142  11.794   6.279
  112   2H5*    A  11          2H5*        A  11  -0.863  12.869   4.895
  113    H4*    A  11           H4*        A  11   1.029  11.306   5.878
  114    H3*    A  11           H3*        A  11   0.604  12.179   3.048
  115    H2*    A  11           H2*        A  11   2.325  10.689   2.288
  116   2HO*    A  11          2HO*        A  11   3.958  10.681   3.686
  117    H1*    A  11           H1*        A  11   1.592   8.508   3.869
  118    H8     A  11           H8         A  11  -1.728   9.643   3.007
  119   1H6     A  11          H61         A  11  -0.960   7.365  -2.698
  120   2H6     A  11          H62         A  11  -2.119   7.982  -1.543
  121    H2     A  11           H2         A  11   3.054   7.500  -0.702
  122   1H5*    G  12          1H5*        G  12   4.925  12.899   3.226
  123   2H5*    G  12          2H5*        G  12   5.022  14.609   2.765
  124    H4*    G  12           H4*        G  12   6.492  13.290   1.392
  125    H3*    G  12           H3*        G  12   4.166  14.569  -0.004
  126    H2*    G  12           H2*        G  12   4.874  13.559  -2.081
  127   2HO*    G  12          2HO*        G  12   7.046  12.267  -0.847
  128    H1*    G  12           H1*        G  12   5.292  11.035  -1.033
  129    H8     G  12           H8         G  12   2.450  12.824   0.737
  130    H1     G  12           H1         G  12   0.746   9.548  -4.508
  131   1H2     G  12          H21         G  12   4.148   9.198  -5.028
  132   2H2     G  12          H22         G  12   2.528   8.858  -5.589
  133   1H5*    G  13          1H5*        G  13   7.273  14.762  -2.687
  134   2H5*    G  13          2H5*        G  13   7.396  16.431  -3.277
  135    H4*    G  13           H4*        G  13   7.239  14.936  -5.141
  136    H3*    G  13           H3*        G  13   4.804  16.655  -4.726
  137    H2*    G  13           H2*        G  13   3.864  15.656  -6.724
  138   2HO*    G  13          2HO*        G  13   5.596  15.403  -8.076
  139    H1*    G  13           H1*        G  13   4.489  13.050  -5.979
  140    H8     G  13           H8         G  13   3.679  14.976  -2.864
  141    H1     G  13           H1         G  13  -1.463  12.828  -6.039
  142   1H2     G  13          H21         G  13   0.775  12.089  -8.568
  143   2H2     G  13          H22         G  13  -0.883  12.071  -8.012
  144   1H5*    C  14          1H5*        C  14   5.454  18.277  -8.829
  145   2H5*    C  14          2H5*        C  14   5.030  19.968  -8.504
  146    H4*    C  14           H4*        C  14   3.584  18.827 -10.178
  147    H3*    C  14           H3*        C  14   2.244  19.957  -7.714
  148    H2*    C  14           H2*        C  14   0.157  19.392  -8.797
  149   2HO*    C  14          2HO*        C  14   1.184  18.210 -11.038
  150    H1*    C  14           H1*        C  14   1.091  16.861  -9.650
  151   1H4     C  14          H41         C  14  -0.751  16.159  -3.363
  152   2H4     C  14          H42         C  14  -2.257  16.139  -4.263
  153    H5     C  14           H5         C  14   1.376  16.642  -4.386
  154    H6     C  14           H6         C  14   2.508  17.213  -6.461
  155   1H5*    U  15          1H5*        U  15  -0.317  22.422 -10.217
  156   2H5*    U  15          2H5*        U  15  -0.669  23.674  -9.010
  157    H4*    U  15           H4*        U  15  -2.510  21.989  -9.732
  158    H3*    U  15           H3*        U  15  -2.016  22.917  -6.918
  159    H2*    U  15           H2*        U  15  -3.866  21.511  -6.212
  160   2HO*    U  15          2HO*        U  15  -5.232  21.688  -8.006
  161    H1*    U  15           H1*        U  15  -2.886  19.280  -7.474
  162    H3     U  15           H3         U  15  -1.582  18.937  -3.111
  163    H5     U  15           H5         U  15   1.455  21.102  -5.037
  164    H6     U  15           H6         U  15   0.023  21.246  -6.967
  165   1H5*    U  16          1H5*        U  16  -5.792  26.602  -6.408
  166   2H5*    U  16          2H5*        U  16  -5.469  25.784  -4.866
  167    H4*    U  16           H4*        U  16  -7.809  25.993  -5.042
  168    H3*    U  16           H3*        U  16  -6.934  23.612  -4.443
  169    H2*    U  16           H2*        U  16  -6.400  22.878  -6.704
  170   2HO*    U  16          2HO*        U  16  -8.357  21.673  -5.511
  171    H1*    U  16           H1*        U  16  -9.151  23.797  -7.665
  172    H3     U  16           H3         U  16  -7.598  22.329 -11.679
  173    H5     U  16           H5         U  16  -4.964  25.409 -10.569
  174    H6     U  16           H6         U  16  -6.067  25.459  -8.420
  175   1H5*    C  17          1H5*        C  17  -9.781  20.964  -4.588
  176   2H5*    C  17          2H5*        C  17 -10.211  20.573  -2.912
  177    H4*    C  17           H4*        C  17  -9.024  18.806  -4.407
  178    H3*    C  17           H3*        C  17  -9.169  18.853  -1.677
  179    H2*    C  17           H2*        C  17  -7.118  20.116  -1.350
  180   2HO*    C  17          2HO*        C  17  -6.272  17.396  -1.648
  181    H1*    C  17           H1*        C  17  -5.923  18.380  -3.603
  182   1H4     C  17          H41         C  17  -1.972  23.610  -3.516
  183   2H4     C  17          H42         C  17  -1.072  22.417  -2.590
  184    H5     C  17           H5         C  17  -4.244  23.301  -4.226
  185    H6     C  17           H6         C  17  -6.130  21.760  -4.246
  186   1H5*    G  18          1H5*        G  18 -10.899  17.925  -2.641
  187   2H5*    G  18          2H5*        G  18 -11.945  17.173  -1.422
  188    H4*    G  18           H4*        G  18 -13.388  16.574  -2.976
  189    H3*    G  18           H3*        G  18 -11.103  15.038  -4.122
  190    H2*    G  18           H2*        G  18 -11.908  15.222  -6.304
  191   2HO*    G  18          2HO*        G  18 -14.079  14.353  -4.993
  192    H1*    G  18           H1*        G  18 -13.983  17.274  -5.567
  193    H8     G  18           H8         G  18 -14.147  18.158  -7.966
  194    H1     G  18           H1         G  18  -7.772  18.917  -8.250
  195   1H2     G  18          H21         G  18  -7.738  17.265  -5.229
  196   2H2     G  18          H22         G  18  -6.823  18.041  -6.502
  197   1H5*    G  19          1H5*        G  19  -9.451  11.973  -3.224
  198   2H5*    G  19          2H5*        G  19 -10.096  13.598  -3.512
  199    H4*    G  19           H4*        G  19 -10.867  11.859  -5.647
  200    H3*    G  19           H3*        G  19  -8.060  11.461  -4.832
  201    H2*    G  19           H2*        G  19  -7.163  12.075  -6.961
  202   2HO*    G  19          2HO*        G  19  -9.863  12.024  -7.895
  203    H1*    G  19           H1*        G  19  -8.757  14.242  -7.507
  204    H8     G  19           H8         G  19  -8.376  14.341  -3.813
  205    H1     G  19           H1         G  19  -3.266  16.618  -6.934
  206   1H2     G  19          H21         G  19  -4.711  15.219  -9.732
  207   2H2     G  19          H22         G  19  -3.368  16.128  -9.060
  208   1H5*    C  20          1H5*        C  20  -8.768   9.039  -8.223
  209   2H5*    C  20          2H5*        C  20  -8.118   7.393  -8.085
  210    H4*    C  20           H4*        C  20  -7.298   8.477 -10.080
  211    H3*    C  20           H3*        C  20  -5.312   7.737  -7.974
  212    H2*    C  20           H2*        C  20  -3.530   8.789  -9.214
  213   2HO*    C  20          2HO*        C  20  -3.720   8.705 -11.329
  214    H1*    C  20           H1*        C  20  -4.887  11.116  -9.802
  215   1H4     C  20          H41         C  20  -3.705  11.745  -3.365
  216   2H4     C  20          H42         C  20  -2.303  12.425  -4.151
  217    H5     C  20           H5         C  20  -5.457  10.639  -4.540
  218    H6     C  20           H6         C  20  -6.298   9.984  -6.700
  219   1H5*    C  21          1H5*        C  21  -3.050   6.694 -11.065
  220   2H5*    C  21          2H5*        C  21  -2.983   4.921 -11.115
  221    H4*    C  21           H4*        C  21  -0.772   5.581 -11.341
  222    H3*    C  21           H3*        C  21  -1.351   4.696  -8.544
  223    H2*    C  21           H2*        C  21   0.866   5.307  -7.847
  224   2HO*    C  21          2HO*        C  21   2.479   5.395  -9.259
  225    H1*    C  21           H1*        C  21   0.943   7.756  -9.156
  226   1H4     C  21          H41         C  21  -3.015   8.882  -4.005
  227   2H4     C  21          H42         C  21  -1.389   8.914  -3.337
  228    H5     C  21           H5         C  21  -3.464   8.236  -6.307
  229    H6     C  21           H6         C  21  -2.440   7.476  -8.401
  230   1H5*    U  22          1H5*        U  22   2.092   3.444  -7.321
  231   2H5*    U  22          2H5*        U  22   1.648   1.785  -6.877
  232    H4*    U  22           H4*        U  22   2.184   3.505  -5.027
  233    H3*    U  22           H3*        U  22  -0.026   1.489  -4.986
  234    H2*    U  22           H2*        U  22  -0.875   2.401  -2.935
  235   2HO*    U  22          2HO*        U  22   0.746   4.436  -2.415
  236    H1*    U  22           H1*        U  22  -0.595   5.089  -3.629
  237    H3     U  22           H3         U  22  -5.057   4.227  -3.715
  238    H5     U  22           H5         U  22  -3.615   2.951  -7.448
  239    H6     U  22           H6         U  22  -1.382   3.295  -6.618
  240   1H5*    G  23          1H5*        G  23   3.788   1.624  -1.201
  241   2H5*    G  23          2H5*        G  23   3.019   0.296  -0.309
  242    H4*    G  23           H4*        G  23   3.827   2.597   0.816
  243    H3*    G  23           H3*        G  23   1.758   0.625   1.663
  244    H2*    G  23           H2*        G  23   0.859   2.139   3.298
  245   2HO*    G  23          2HO*        G  23   2.543   3.162   4.219
  246    H1*    G  23           H1*        G  23   0.835   4.400   1.703
  247    H8     G  23           H8         G  23   0.093   1.975  -0.874
  248    H1     G  23           H1         G  23  -4.841   2.670   3.163
  249   1H2     G  23          H21         G  23  -2.553   4.249   5.223
  250   2H2     G  23          H22         G  23  -4.201   3.711   4.983
  251   1H5*    C  24          1H5*        C  24   1.935  -2.659   3.805
  252   2H5*    C  24          2H5*        C  24   0.281  -2.044   3.627
  253    H4*    C  24           H4*        C  24   2.117  -1.948   5.980
  254    H3*    C  24           H3*        C  24  -0.686  -2.903   5.527
  255    H2*    C  24           H2*        C  24  -1.286  -2.235   7.764
  256   2HO*    C  24          2HO*        C  24   0.208  -2.052   9.283
  257    H1*    C  24           H1*        C  24  -0.127   0.272   7.631
  258   1H4     C  24          H41         C  24  -5.365   0.874   3.694
  259   2H4     C  24          H42         C  24  -6.032   0.942   5.317
  260    H5     C  24           H5         C  24  -3.044   0.357   3.252
  261    H6     C  24           H6         C  24  -0.896  -0.192   4.265
  262   1H5*    U  25          1H5*        U  25  -1.567  -4.503   8.155
  263   2H5*    U  25          2H5*        U  25  -1.469  -6.267   7.994
  264    H4*    U  25           H4*        U  25  -3.700  -5.644   8.588
  265    H3*    U  25           H3*        U  25  -3.369  -6.746   5.816
  266    H2*    U  25           H2*        U  25  -5.738  -6.456   5.450
  267   2HO*    U  25          2HO*        U  25  -6.991  -5.548   7.272
  268    H1*    U  25           H1*        U  25  -5.852  -3.877   6.429
  269    H3     U  25           H3         U  25  -5.923  -3.300   1.945
  270    H5     U  25           H5         U  25  -1.880  -3.982   2.855
  271    H6     U  25           H6         U  25  -2.555  -4.510   5.107
  272   1H5*    U  26          1H5*        U  26  -6.938  -8.707   7.684
  273   2H5*    U  26          2H5*        U  26  -6.789 -10.399   7.170
  274    H4*    U  26           H4*        U  26  -8.996  -9.461   6.691
  275    H3*    U  26           H3*        U  26  -7.337 -10.356   4.345
  276    H2*    U  26           H2*        U  26  -9.180  -9.761   2.908
  277   2HO*    U  26          2HO*        U  26 -10.858  -8.784   4.848
  278    H1*    U  26           H1*        U  26  -9.715  -7.325   4.187
  279    H3     U  26           H3         U  26  -7.896  -6.181   0.189
  280    H5     U  26           H5         U  26  -4.623  -7.194   2.616
  281    H6     U  26           H6         U  26  -6.188  -7.977   4.268
  282   1H5*    U  27          1H5*        U  27 -11.119 -11.410   4.059
  283   2H5*    U  27          2H5*        U  27 -11.459 -13.097   3.627
  284    H4*    U  27           H4*        U  27 -12.757 -11.628   2.247
  285    H3*    U  27           H3*        U  27 -10.603 -13.161   0.824
  286    H2*    U  27           H2*        U  27 -11.278 -12.110  -1.246
  287   2HO*    U  27          2HO*        U  27 -13.605 -12.126  -0.456
  288    H1*    U  27           H1*        U  27 -11.365  -9.539  -0.206
  289    H3     U  27           H3         U  27  -7.467  -9.676  -2.502
  290    H5     U  27           H5         U  27  -6.605 -11.535   1.157
  291    H6     U  27           H6         U  27  -8.957 -11.519   1.634
  292   1H5*    U  28          1H5*        U  28 -14.167 -14.360  -1.530
  293   2H5*    U  28          2H5*        U  28 -13.887 -16.076  -1.883
  294    H4*    U  28           H4*        U  28 -14.223 -14.749  -3.906
  295    H3*    U  28           H3*        U  28 -11.524 -16.055  -3.587
  296    H2*    U  28           H2*        U  28 -11.006 -15.238  -5.812
  297   2HO*    U  28          2HO*        U  28 -12.567 -14.645  -7.167
  298    H1*    U  28           H1*        U  28 -11.913 -12.656  -5.277
  299    H3     U  28           H3         U  28  -7.379 -12.385  -5.174
  300    H5     U  28           H5         U  28  -8.460 -13.868  -1.397
  301    H6     U  28           H6         U  28 -10.710 -14.106  -2.218
  302   1H5*    G  29          1H5*        G  29 -12.507 -18.899  -6.698
  303   2H5*    G  29          2H5*        G  29 -11.952 -20.444  -6.025
  304    H4*    G  29           H4*        G  29 -10.707 -19.746  -8.032
  305    H3*    G  29           H3*        G  29  -9.136 -20.054  -5.477
  306    H2*    G  29           H2*        G  29  -7.176 -19.426  -6.675
  307   2HO*    G  29          2HO*        G  29  -8.416 -20.797  -8.607
  308    H1*    G  29           H1*        G  29  -8.594 -17.715  -8.560
  309    H8     G  29           H8         G  29  -9.159 -16.654  -5.040
  310    H1     G  29           H1         G  29  -3.597 -14.584  -7.472
  311   1H2     G  29          H21         G  29  -4.237 -16.800 -10.050
  312   2H2     G  29          H22         G  29  -3.163 -15.600  -9.365
  313   1H5*    C  30          1H5*        C  30  -6.720 -21.570  -8.135
  314   2H5*    C  30          2H5*        C  30  -6.323 -23.247  -7.713
  315    H4*    C  30           H4*        C  30  -4.267 -22.203  -8.052
  316    H3*    C  30           H3*        C  30  -4.827 -22.426  -5.102
  317    H2*    C  30           H2*        C  30  -2.710 -21.370  -4.679
  318   2HO*    C  30          2HO*        C  30  -2.231 -21.657  -7.485
  319    H1*    C  30           H1*        C  30  -2.933 -19.492  -6.793
  320   1H4     C  30          H41         C  30  -6.192 -16.967  -1.634
  321   2H4     C  30          H42         C  30  -4.661 -16.113  -1.732
  322    H5     C  30           H5         C  30  -6.758 -18.817  -3.085
  323    H6     C  30           H6         C  30  -5.977 -20.227  -4.915
  324   1H5*    U  31          1H5*        U  31  -0.988 -23.290  -5.400
  325   2H5*    U  31          2H5*        U  31  -0.794 -25.038  -5.165
  326    H4*    U  31           H4*        U  31   0.983 -24.156  -3.993
  327    H3*    U  31           H3*        U  31  -1.255 -24.734  -2.080
  328    H2*    U  31           H2*        U  31   0.065 -23.841  -0.280
  329   2HO*    U  31          2HO*        U  31   2.234 -23.527  -0.474
  330    H1*    U  31           H1*        U  31   0.963 -21.595  -1.679
  331    H3     U  31           H3         U  31  -2.060 -19.821   1.165
  332    H5     U  31           H5         U  31  -4.389 -21.665  -1.805
  333    H6     U  31           H6         U  31  -2.363 -22.599  -2.708
  334    H3T    U  31           H3T        U  31   0.666 -26.067  -3.225
  Start of MODEL   10
    1   1H5*    A   1          1H5*        A   1  -2.254 -10.371   7.476
    2   2H5*    A   1          2H5*        A   1  -2.610 -12.104   7.368
    3    H4*    A   1           H4*        A   1   0.077 -10.853   7.918
    4    H3*    A   1           H3*        A   1  -1.104 -11.939   5.391
    5    H2*    A   1           H2*        A   1   0.977 -13.029   4.860
    6   2HO*    A   1          2HO*        A   1   2.746 -12.700   6.495
    7    H1*    A   1           H1*        A   1   1.408 -14.099   7.379
    8    H8     A   1           H8         A   1  -2.196 -14.394   7.364
    9   1H6     A   1          H61         A   1  -1.736 -19.155   3.433
   10   2H6     A   1          H62         A   1  -2.798 -18.291   4.522
   11    H2     A   1           H2         A   1   2.230 -17.066   3.559
   12    H5T    A   1           H5T        A   1  -2.346 -10.519   9.556
   13   1H5*    G   2          1H5*        G   2   2.317 -10.016   3.725
   14   2H5*    G   2          2H5*        G   2   1.741  -9.019   2.376
   15    H4*    G   2           H4*        G   2   3.507 -10.655   1.774
   16    H3*    G   2           H3*        G   2   0.865 -10.694   0.345
   17    H2*    G   2           H2*        G   2   1.643 -12.553  -0.980
   18   2HO*    G   2          2HO*        G   2   3.898 -13.271  -0.560
   19    H1*    G   2           H1*        G   2   2.778 -13.954   1.164
   20    H8     G   2           H8         G   2  -0.134 -12.733   2.882
   21    H1     G   2           H1         G   2  -1.707 -17.136  -1.508
   22   1H2     G   2          H21         G   2   1.471 -16.589  -2.766
   23   2H2     G   2          H22         G   2  -0.041 -17.457  -2.901
   24   1H5*    U   3          1H5*        U   3   3.672  -9.800  -3.128
   25   2H5*    U   3          2H5*        U   3   2.775  -8.546  -4.007
   26    H4*    U   3           H4*        U   3   3.353 -10.343  -5.492
   27    H3*    U   3           H3*        U   3   0.405 -10.115  -4.911
   28    H2*    U   3           H2*        U   3   0.070 -11.920  -6.498
   29   2HO*    U   3          2HO*        U   3   1.667 -11.369  -8.024
   30    H1*    U   3           H1*        U   3   2.076 -13.515  -5.411
   31    H3     U   3           H3         U   3  -1.798 -15.358  -3.933
   32    H5     U   3           H5         U   3  -1.123 -12.092  -1.380
   33    H6     U   3           H6         U   3   0.692 -11.439  -2.820
   34   1H5*    A   4          1H5*        A   4   0.495  -9.069  -9.312
   35   2H5*    A   4          2H5*        A   4  -0.857  -7.944  -9.539
   36    H4*    A   4           H4*        A   4  -0.952 -10.018 -10.919
   37    H3*    A   4           H3*        A   4  -3.257  -9.323  -9.113
   38    H2*    A   4           H2*        A   4  -4.390 -11.313  -9.934
   39   2HO*    A   4          2HO*        A   4  -3.225 -12.624 -11.520
   40    H1*    A   4           H1*        A   4  -2.197 -12.969  -9.552
   41    H8     A   4           H8         A   4  -1.618 -10.707  -6.788
   42   1H6     A   4          H61         A   4  -6.234 -13.345  -3.637
   43   2H6     A   4          H62         A   4  -4.840 -12.293  -3.536
   44    H2     A   4           H2         A   4  -6.552 -14.655  -7.919
   45   1H5*    G   5          1H5*        G   5  -5.629  -8.524 -12.726
   46   2H5*    G   5          2H5*        G   5  -6.464  -7.009 -12.335
   47    H4*    G   5           H4*        G   5  -7.967  -8.942 -12.683
   48    H3*    G   5           H3*        G   5  -8.053  -7.481 -10.055
   49    H2*    G   5           H2*        G   5  -9.823  -8.976  -9.360
   50   2HO*    G   5          2HO*        G   5  -9.999 -10.689 -11.380
   51    H1*    G   5           H1*        G   5  -8.543 -11.293 -10.237
   52    H8     G   5           H8         G   5  -5.668  -9.399  -9.067
   53    H1     G   5           H1         G   5  -9.361 -11.393  -4.212
   54   1H2     G   5          H21         G   5 -11.732 -11.984  -6.645
   55   2H2     G   5          H22         G   5 -11.313 -12.011  -4.946
   56   1H5*    A   6          1H5*        A   6 -11.729  -8.353 -10.773
   57   2H5*    A   6          2H5*        A   6 -12.772  -6.921 -10.863
   58    H4*    A   6           H4*        A   6 -13.626  -8.725  -9.396
   59    H3*    A   6           H3*        A   6 -13.940  -6.080  -8.933
   60    H2*    A   6           H2*        A   6 -12.058  -5.783  -7.449
   61   2HO*    A   6          2HO*        A   6 -13.759  -6.932  -5.518
   62    H1*    A   6           H1*        A   6 -12.721  -8.501  -6.177
   63    H8     A   6           H8         A   6  -9.515  -7.276  -7.896
   64   1H6     A   6          H61         A   6  -6.968  -7.370  -2.254
   65   2H6     A   6          H62         A   6  -6.677  -7.137  -3.968
   66    H2     A   6           H2         A   6 -11.333  -8.353  -1.833
   67   1H5*    A   7          1H5*        A   7 -15.740  -7.781  -5.042
   68   2H5*    A   7          2H5*        A   7 -17.243  -6.874  -4.783
   69    H4*    A   7           H4*        A   7 -16.163  -6.662  -2.762
   70    H3*    A   7           H3*        A   7 -15.530  -4.195  -4.366
   71    H2*    A   7           H2*        A   7 -14.039  -3.486  -2.674
   72   2HO*    A   7          2HO*        A   7 -15.959  -3.993  -1.142
   73    H1*    A   7           H1*        A   7 -13.634  -6.211  -1.598
   74    H8     A   7           H8         A   7 -12.265  -5.255  -5.030
   75   1H6     A   7          H61         A   7  -6.916  -4.234  -2.076
   76   2H6     A   7          H62         A   7  -7.688  -4.352  -3.643
   77    H2     A   7           H2         A   7 -10.091  -4.957   1.001
   78   1H5*    A   8          1H5*        A   8 -17.928  -0.849  -1.001
   79   2H5*    A   8          2H5*        A   8 -16.508  -0.087  -1.745
   80    H4*    A   8           H4*        A   8 -16.958  -0.971   1.000
   81    H3*    A   8           H3*        A   8 -15.100   0.995  -0.317
   82    H2*    A   8           H2*        A   8 -13.732   0.921   1.674
   83   2HO*    A   8          2HO*        A   8 -14.990   0.641   3.424
   84    H1*    A   8           H1*        A   8 -13.708  -1.852   1.800
   85    H8     A   8           H8         A   8 -13.835  -0.713  -1.811
   86   1H6     A   8          H61         A   8  -7.648  -0.612  -1.586
   87   2H6     A   8          H62         A   8  -9.048  -0.490  -2.628
   88    H2     A   8           H2         A   8  -9.182  -1.260   2.578
   89   1H5*    C   9          1H5*        C   9 -16.158   3.878   4.144
   90   2H5*    C   9          2H5*        C   9 -15.387   3.976   2.550
   91    H4*    C   9           H4*        C   9 -14.190   3.655   5.245
   92    H3*    C   9           H3*        C   9 -13.547   5.282   2.809
   93    H2*    C   9           H2*        C   9 -11.215   5.219   3.374
   94   2HO*    C   9          2HO*        C   9 -11.114   5.481   5.539
   95    H1*    C   9           H1*        C   9 -11.153   2.515   4.109
   96   1H4     C   9          H41         C   9 -11.082   2.498  -2.490
   97   2H4     C   9          H42         C   9  -9.419   2.270  -1.971
   98    H5     C   9           H5         C   9 -12.898   2.940  -0.936
   99    H6     C   9           H6         C   9 -13.477   3.233   1.413
  100   1H5*    A  10          1H5*        A  10 -10.891   9.000   4.915
  101   2H5*    A  10          2H5*        A  10 -10.861   8.960   3.141
  102    H4*    A  10           H4*        A  10  -9.056   7.615   5.111
  103    H3*    A  10           H3*        A  10  -8.640   9.533   2.854
  104    H2*    A  10           H2*        A  10  -6.593   8.445   2.241
  105   2HO*    A  10          2HO*        A  10  -5.939   8.139   4.492
  106    H1*    A  10           H1*        A  10  -7.504   5.824   2.533
  107    H8     A  10           H8         A  10 -10.495   7.220   1.070
  108   1H6     A  10          H61         A  10  -7.654   7.396  -4.427
  109   2H6     A  10          H62         A  10  -9.192   7.508  -3.603
  110    H2     A  10           H2         A  10  -4.539   6.720  -1.273
  111   1H5*    A  11          1H5*        A  11  -4.365  11.957   5.033
  112   2H5*    A  11          2H5*        A  11  -4.117  11.689   3.296
  113    H4*    A  11           H4*        A  11  -2.823  10.426   5.637
  114    H3*    A  11           H3*        A  11  -1.903  11.421   2.971
  115    H2*    A  11           H2*        A  11  -0.205   9.731   2.867
  116   2HO*    A  11          2HO*        A  11  -0.843   9.425   5.625
  117    H1*    A  11           H1*        A  11  -1.763   7.623   3.823
  118    H8     A  11           H8         A  11  -4.279   9.220   1.778
  119   1H6     A  11          H61         A  11  -1.469   7.024  -3.282
  120   2H6     A  11          H62         A  11  -2.926   7.761  -2.656
  121    H2     A  11           H2         A  11   1.337   6.551   0.183
  122   1H5*    G  12          1H5*        G  12   1.900  11.265   4.701
  123   2H5*    G  12          2H5*        G  12   2.507  12.929   4.602
  124    H4*    G  12           H4*        G  12   4.103  11.454   3.616
  125    H3*    G  12           H3*        G  12   2.720  13.334   1.753
  126    H2*    G  12           H2*        G  12   3.808  12.328  -0.148
  127   2HO*    G  12          2HO*        G  12   5.254  10.414   0.495
  128    H1*    G  12           H1*        G  12   3.311   9.719   0.544
  129    H8     G  12           H8         G  12   0.591  12.070   1.797
  130    H1     G  12           H1         G  12  -0.347   9.727  -4.099
  131   1H2     G  12          H21         G  12   2.865   8.478  -3.793
  132   2H2     G  12          H22         G  12   1.429   8.637  -4.780
  133   1H5*    G  13          1H5*        G  13   6.646  12.762   0.177
  134   2H5*    G  13          2H5*        G  13   7.307  14.402   0.039
  135    H4*    G  13           H4*        G  13   7.619  13.233  -2.028
  136    H3*    G  13           H3*        G  13   5.655  15.501  -2.121
  137    H2*    G  13           H2*        G  13   5.276  15.039  -4.459
  138   2HO*    G  13          2HO*        G  13   7.601  13.452  -4.116
  139    H1*    G  13           H1*        G  13   5.077  12.277  -4.164
  140    H8     G  13           H8         G  13   3.579  14.027  -1.179
  141    H1     G  13           H1         G  13  -0.417  13.304  -6.145
  142   1H2     G  13          H21         G  13   2.396  12.329  -7.893
  143   2H2     G  13          H22         G  13   0.671  12.621  -7.913
  144   1H5*    C  14          1H5*        C  14   7.694  16.780  -5.575
  145   2H5*    C  14          2H5*        C  14   8.426  18.302  -5.031
  146    H4*    C  14           H4*        C  14   7.341  18.929  -6.958
  147    H3*    C  14           H3*        C  14   5.477  19.522  -4.665
  148    H2*    C  14           H2*        C  14   3.917  20.401  -6.282
  149   2HO*    C  14          2HO*        C  14   6.148  20.169  -8.048
  150    H1*    C  14           H1*        C  14   4.297  18.306  -8.127
  151   1H4     C  14          H41         C  14   0.192  15.956  -3.533
  152   2H4     C  14          H42         C  14  -0.838  16.772  -4.698
  153    H5     C  14           H5         C  14   2.601  16.023  -3.646
  154    H6     C  14           H6         C  14   4.518  16.860  -4.894
  155   1H5*    U  15          1H5*        U  15   4.644  23.322  -6.163
  156   2H5*    U  15          2H5*        U  15   4.587  24.227  -4.638
  157    H4*    U  15           H4*        U  15   2.415  23.884  -5.961
  158    H3*    U  15           H3*        U  15   2.675  23.521  -2.993
  159    H2*    U  15           H2*        U  15   0.345  22.886  -2.905
  160   2HO*    U  15          2HO*        U  15   0.401  23.916  -5.531
  161    H1*    U  15           H1*        U  15   0.513  21.061  -4.961
  162    H3     U  15           H3         U  15   0.653  18.724  -1.027
  163    H5     U  15           H5         U  15   4.640  19.665  -1.954
  164    H6     U  15           H6         U  15   3.814  21.108  -3.694
  165   1H5*    U  16          1H5*        U  16   0.159  28.077  -1.577
  166   2H5*    U  16          2H5*        U  16  -0.298  26.779  -0.457
  167    H4*    U  16           H4*        U  16  -2.257  28.010  -0.985
  168    H3*    U  16           H3*        U  16  -2.420  25.407  -1.107
  169    H2*    U  16           H2*        U  16  -1.550  25.067  -3.339
  170   2HO*    U  16          2HO*        U  16  -4.339  25.560  -3.743
  171    H1*    U  16           H1*        U  16  -3.285  27.294  -4.478
  172    H3     U  16           H3         U  16  -0.932  26.044  -8.181
  173    H5     U  16           H5         U  16   1.876  27.828  -5.616
  174    H6     U  16           H6         U  16   0.181  27.847  -3.904
  175   1H5*    C  17          1H5*        C  17  -5.330  24.139  -2.968
  176   2H5*    C  17          2H5*        C  17  -6.553  23.561  -1.819
  177    H4*    C  17           H4*        C  17  -5.493  21.833  -3.328
  178    H3*    C  17           H3*        C  17  -6.451  21.373  -0.816
  179    H2*    C  17           H2*        C  17  -4.329  21.701   0.324
  180   2HO*    C  17          2HO*        C  17  -4.904  19.059  -0.344
  181    H1*    C  17           H1*        C  17  -3.066  20.135  -2.012
  182   1H4     C  17          H41         C  17   2.074  23.363   0.459
  183   2H4     C  17          H42         C  17   2.280  21.723   1.058
  184    H5     C  17           H5         C  17   0.081  24.130  -0.642
  185    H6     C  17           H6         C  17  -2.085  23.455  -1.532
  186   1H5*    G  18          1H5*        G  18  -7.791  21.654  -2.600
  187   2H5*    G  18          2H5*        G  18  -9.354  21.210  -1.890
  188    H4*    G  18           H4*        G  18 -10.372  21.712  -3.780
  189    H3*    G  18           H3*        G  18  -8.742  19.470  -4.852
  190    H2*    G  18           H2*        G  18  -8.560  20.385  -6.983
  191   2HO*    G  18          2HO*        G  18 -11.231  20.540  -6.503
  192    H1*    G  18           H1*        G  18  -9.763  23.029  -6.180
  193    H8     G  18           H8         G  18  -8.761  24.140  -8.278
  194    H1     G  18           H1         G  18  -2.897  22.097  -6.649
  195   1H2     G  18          H21         G  18  -4.532  20.255  -4.234
  196   2H2     G  18          H22         G  18  -3.012  20.700  -4.978
  197   1H5*    G  19          1H5*        G  19  -8.774  15.899  -5.571
  198   2H5*    G  19          2H5*        G  19  -8.255  17.563  -5.248
  199    H4*    G  19           H4*        G  19  -9.142  17.100  -7.991
  200    H3*    G  19           H3*        G  19  -7.128  15.236  -6.928
  201    H2*    G  19           H2*        G  19  -5.387  15.878  -8.413
  202   2HO*    G  19          2HO*        G  19  -5.848  17.022 -10.325
  203    H1*    G  19           H1*        G  19  -5.844  18.605  -8.554
  204    H8     G  19           H8         G  19  -6.409  17.109  -5.087
  205    H1     G  19           H1         G  19  -0.460  19.209  -6.219
  206   1H2     G  19          H21         G  19  -1.518  19.602  -9.473
  207   2H2     G  19          H22         G  19  -0.207  19.741  -8.315
  208   1H5*    C  20          1H5*        C  20  -7.511  13.862 -11.118
  209   2H5*    C  20          2H5*        C  20  -7.696  12.098 -11.055
  210    H4*    C  20           H4*        C  20  -5.835  12.802 -12.478
  211    H3*    C  20           H3*        C  20  -5.317  11.040 -10.122
  212    H2*    C  20           H2*        C  20  -2.940  11.139 -10.504
  213   2HO*    C  20          2HO*        C  20  -3.424  11.204 -12.934
  214    H1*    C  20           H1*        C  20  -2.792  13.866 -10.887
  215   1H4     C  20          H41         C  20  -3.972  13.412  -4.435
  216   2H4     C  20          H42         C  20  -2.236  13.254  -4.582
  217    H5     C  20           H5         C  20  -5.449  13.484  -6.317
  218    H6     C  20           H6         C  20  -5.595  13.477  -8.734
  219   1H5*    C  21          1H5*        C  21  -2.471   9.689 -12.268
  220   2H5*    C  21          2H5*        C  21  -2.882   8.045 -12.798
  221    H4*    C  21           H4*        C  21  -0.702   7.923 -11.944
  222    H3*    C  21           H3*        C  21  -2.720   6.792 -10.027
  223    H2*    C  21           H2*        C  21  -0.966   6.344  -8.459
  224   2HO*    C  21          2HO*        C  21   1.106   6.111  -9.091
  225    H1*    C  21           H1*        C  21   0.503   8.713  -8.968
  226   1H4     C  21          H41         C  21  -4.104  10.351  -4.545
  227   2H4     C  21          H42         C  21  -2.796   9.663  -3.597
  228    H5     C  21           H5         C  21  -4.115  10.341  -6.967
  229    H6     C  21           H6         C  21  -2.873   9.678  -8.965
  230   1H5*    U  22          1H5*        U  22  -0.498   4.255  -9.368
  231   2H5*    U  22          2H5*        U  22  -1.113   2.590  -9.347
  232    H4*    U  22           H4*        U  22  -0.405   3.680  -7.134
  233    H3*    U  22           H3*        U  22  -2.850   2.025  -7.578
  234    H2*    U  22           H2*        U  22  -3.664   2.509  -5.373
  235   2HO*    U  22          2HO*        U  22  -2.330   3.565  -3.852
  236    H1*    U  22           H1*        U  22  -3.103   5.226  -5.389
  237    H3     U  22           H3         U  22  -7.620   4.523  -5.928
  238    H5     U  22           H5         U  22  -5.974   4.797  -9.781
  239    H6     U  22           H6         U  22  -3.791   4.686  -8.773
  240   1H5*    G  23          1H5*        G  23   0.199   2.194  -4.301
  241   2H5*    G  23          2H5*        G  23   0.639   0.518  -3.918
  242    H4*    G  23           H4*        G  23   0.974   1.850  -1.976
  243    H3*    G  23           H3*        G  23  -1.275  -0.109  -1.828
  244    H2*    G  23           H2*        G  23  -1.931   0.719   0.337
  245   2HO*    G  23          2HO*        G  23  -0.299   2.771   0.745
  246    H1*    G  23           H1*        G  23  -1.854   3.395  -0.315
  247    H8     G  23           H8         G  23  -2.732   1.617  -3.476
  248    H1     G  23           H1         G  23  -7.712   2.379   0.493
  249   1H2     G  23          H21         G  23  -5.339   3.312   2.825
  250   2H2     G  23          H22         G  23  -7.030   3.044   2.460
  251   1H5*    C  24          1H5*        C  24  -1.389  -2.743   2.037
  252   2H5*    C  24          2H5*        C  24  -2.200  -1.286   1.431
  253    H4*    C  24           H4*        C  24  -0.362  -0.937   3.722
  254    H3*    C  24           H3*        C  24  -2.904  -2.522   4.013
  255    H2*    C  24           H2*        C  24  -3.336  -1.342   6.063
  256   2HO*    C  24          2HO*        C  24  -0.731  -1.298   6.234
  257    H1*    C  24           H1*        C  24  -2.527   1.178   5.083
  258   1H4     C  24          H41         C  24  -8.695   0.504   2.918
  259   2H4     C  24          H42         C  24  -8.868   1.016   4.588
  260    H5     C  24           H5         C  24  -6.559  -0.071   1.936
  261    H6     C  24           H6         C  24  -4.162  -0.266   2.348
  262   1H5*    U  25          1H5*        U  25  -3.058  -3.654   6.790
  263   2H5*    U  25          2H5*        U  25  -3.174  -5.420   6.926
  264    H4*    U  25           H4*        U  25  -5.297  -4.242   7.364
  265    H3*    U  25           H3*        U  25  -5.174  -6.264   5.144
  266    H2*    U  25           H2*        U  25  -7.519  -5.853   4.717
  267   2HO*    U  25          2HO*        U  25  -8.261  -3.941   6.277
  268    H1*    U  25           H1*        U  25  -7.304  -3.087   4.784
  269    H3     U  25           H3         U  25  -7.662  -4.106   0.380
  270    H5     U  25           H5         U  25  -3.607  -4.686   1.301
  271    H6     U  25           H6         U  25  -4.172  -4.397   3.623
  272   1H5*    U  26          1H5*        U  26  -8.746  -7.428   7.155
  273   2H5*    U  26          2H5*        U  26  -8.611  -9.184   7.367
  274    H4*    U  26           H4*        U  26 -10.675  -8.646   6.261
  275    H3*    U  26           H3*        U  26  -8.666 -10.079   4.533
  276    H2*    U  26           H2*        U  26 -10.300 -10.076   2.764
  277   2HO*    U  26          2HO*        U  26 -11.999  -9.770   4.921
  278    H1*    U  26           H1*        U  26 -11.154  -7.426   3.225
  279    H3     U  26           H3         U  26  -9.006  -7.454  -0.792
  280    H5     U  26           H5         U  26  -5.969  -7.158   2.092
  281    H6     U  26           H6         U  26  -7.634  -7.578   3.777
  282   1H5*    U  27          1H5*        U  27 -12.391 -12.388   4.331
  283   2H5*    U  27          2H5*        U  27 -11.941 -14.092   4.118
  284    H4*    U  27           H4*        U  27 -13.437 -13.186   2.355
  285    H3*    U  27           H3*        U  27 -10.784 -14.379   1.594
  286    H2*    U  27           H2*        U  27 -11.325 -13.950  -0.723
  287   2HO*    U  27          2HO*        U  27 -13.364 -13.409  -1.355
  288    H1*    U  27           H1*        U  27 -12.167 -11.335  -0.290
  289    H3     U  27           H3         U  27  -8.056 -10.952  -2.148
  290    H5     U  27           H5         U  27  -7.317 -11.780   1.901
  291    H6     U  27           H6         U  27  -9.666 -12.228   2.157
  292   1H5*    U  28          1H5*        U  28 -13.928 -16.909  -0.672
  293   2H5*    U  28          2H5*        U  28 -13.213 -18.531  -0.579
  294    H4*    U  28           H4*        U  28 -13.853 -17.877  -2.860
  295    H3*    U  28           H3*        U  28 -10.956 -18.491  -2.323
  296    H2*    U  28           H2*        U  28 -10.530 -18.128  -4.681
  297   2HO*    U  28          2HO*        U  28 -13.346 -17.697  -4.932
  298    H1*    U  28           H1*        U  28 -11.918 -15.727  -4.782
  299    H3     U  28           H3         U  28  -7.486 -14.657  -4.657
  300    H5     U  28           H5         U  28  -8.622 -15.183  -0.646
  301    H6     U  28           H6         U  28 -10.725 -16.045  -1.435
  302   1H5*    G  29          1H5*        G  29 -11.164 -22.051  -4.690
  303   2H5*    G  29          2H5*        G  29 -10.361 -23.268  -3.679
  304    H4*    G  29           H4*        G  29  -9.140 -22.759  -5.757
  305    H3*    G  29           H3*        G  29  -7.742 -22.216  -3.143
  306    H2*    G  29           H2*        G  29  -5.855 -21.431  -4.362
  307   2HO*    G  29          2HO*        G  29  -6.664 -23.364  -6.043
  308    H1*    G  29           H1*        G  29  -7.402 -20.444  -6.614
  309    H8     G  29           H8         G  29  -8.537 -18.879  -3.443
  310    H1     G  29           H1         G  29  -3.229 -16.200  -5.851
  311   1H2     G  29          H21         G  29  -3.140 -18.959  -7.936
  312   2H2     G  29          H22         G  29  -2.397 -17.452  -7.448
  313   1H5*    C  30          1H5*        C  30  -4.842 -24.430  -5.523
  314   2H5*    C  30          2H5*        C  30  -4.096 -25.553  -4.370
  315    H4*    C  30           H4*        C  30  -2.451 -24.168  -5.537
  316    H3*    C  30           H3*        C  30  -2.640 -23.912  -2.548
  317    H2*    C  30           H2*        C  30  -0.861 -22.293  -2.613
  318   2HO*    C  30          2HO*        C  30   0.591 -22.400  -4.167
  319    H1*    C  30           H1*        C  30  -1.836 -20.909  -4.852
  320   1H4     C  30          H41         C  30  -5.449 -18.824   0.260
  321   2H4     C  30          H42         C  30  -4.199 -17.617   0.018
  322    H5     C  30           H5         C  30  -5.539 -20.890  -0.987
  323    H6     C  30           H6         C  30  -4.461 -22.222  -2.722
  324   1H5*    U  31          1H5*        U  31   1.410 -24.172  -3.663
  325   2H5*    U  31          2H5*        U  31   2.224 -25.378  -2.648
  326    H4*    U  31           H4*        U  31   3.445 -23.257  -2.777
  327    H3*    U  31           H3*        U  31   2.478 -24.181  -0.086
  328    H2*    U  31           H2*        U  31   3.468 -22.227   0.904
  329   2HO*    U  31          2HO*        U  31   4.869 -20.907  -0.280
  330    H1*    U  31           H1*        U  31   2.605 -20.450  -1.095
  331    H3     U  31           H3         U  31   0.168 -19.423   2.598
  332    H5     U  31           H5         U  31  -1.774 -22.731   0.889
  333    H6     U  31           H6         U  31   0.092 -22.954  -0.614
  334    H3T    U  31           H3T        U  31   4.747 -24.456   0.103
  Start of MODEL   11
    1   1H5*    A   1          1H5*        A   1  -2.372 -11.006   7.739
    2   2H5*    A   1          2H5*        A   1  -2.735 -12.727   7.519
    3    H4*    A   1           H4*        A   1  -0.024 -11.472   7.918
    4    H3*    A   1           H3*        A   1  -1.383 -12.530   5.467
    5    H2*    A   1           H2*        A   1   0.679 -13.548   4.747
    6   2HO*    A   1          2HO*        A   1   2.477 -12.566   5.308
    7    H1*    A   1           H1*        A   1   1.326 -14.669   7.197
    8    H8     A   1           H8         A   1  -2.271 -15.034   7.431
    9   1H6     A   1          H61         A   1  -1.991 -19.713   3.384
   10   2H6     A   1          H62         A   1  -2.993 -18.890   4.560
   11    H2     A   1           H2         A   1   1.933 -17.548   3.282
   12    H5T    A   1           H5T        A   1  -1.233 -12.100   9.760
   13   1H5*    G   2          1H5*        G   2   1.822 -10.572   3.785
   14   2H5*    G   2          2H5*        G   2   1.369  -9.659   2.332
   15    H4*    G   2           H4*        G   2   3.071 -11.431   1.959
   16    H3*    G   2           H3*        G   2   0.500 -11.488   0.392
   17    H2*    G   2           H2*        G   2   1.323 -13.447  -0.755
   18   2HO*    G   2          2HO*        G   2   3.434 -13.338  -1.105
   19    H1*    G   2           H1*        G   2   2.324 -14.685   1.566
   20    H8     G   2           H8         G   2  -0.732 -13.385   2.948
   21    H1     G   2           H1         G   2  -1.893 -18.141  -1.196
   22   1H2     G   2          H21         G   2   1.367 -17.629  -2.241
   23   2H2     G   2          H22         G   2  -0.118 -18.534  -2.428
   24   1H5*    U   3          1H5*        U   3   3.482 -10.895  -2.993
   25   2H5*    U   3          2H5*        U   3   2.665  -9.668  -3.980
   26    H4*    U   3           H4*        U   3   3.231 -11.547  -5.351
   27    H3*    U   3           H3*        U   3   0.272 -11.258  -4.853
   28    H2*    U   3           H2*        U   3  -0.039 -13.140  -6.359
   29   2HO*    U   3          2HO*        U   3   2.198 -14.080  -7.030
   30    H1*    U   3           H1*        U   3   1.896 -14.700  -5.118
   31    H3     U   3           H3         U   3  -2.061 -16.359  -3.637
   32    H5     U   3           H5         U   3  -1.371 -12.962  -1.268
   33    H6     U   3           H6         U   3   0.498 -12.443  -2.692
   34   1H5*    A   4          1H5*        A   4   0.397 -10.356  -9.336
   35   2H5*    A   4          2H5*        A   4  -0.976  -9.255  -9.564
   36    H4*    A   4           H4*        A   4  -1.069 -11.355 -10.900
   37    H3*    A   4           H3*        A   4  -3.342 -10.663  -9.055
   38    H2*    A   4           H2*        A   4  -4.463 -12.687  -9.816
   39   2HO*    A   4          2HO*        A   4  -2.417 -12.565 -11.751
   40    H1*    A   4           H1*        A   4  -2.267 -14.300  -9.373
   41    H8     A   4           H8         A   4  -1.672 -11.818  -6.772
   42   1H6     A   4          H61         A   4  -6.137 -14.399  -3.360
   43   2H6     A   4          H62         A   4  -4.779 -13.296  -3.358
   44    H2     A   4           H2         A   4  -6.481 -15.999  -7.542
   45   1H5*    G   5          1H5*        G   5  -5.860 -10.027 -12.575
   46   2H5*    G   5          2H5*        G   5  -6.707  -8.513 -12.204
   47    H4*    G   5           H4*        G   5  -8.178 -10.498 -12.411
   48    H3*    G   5           H3*        G   5  -8.200  -8.913  -9.852
   49    H2*    G   5           H2*        G   5  -9.925 -10.400  -9.037
   50   2HO*    G   5          2HO*        G   5 -11.046 -11.704 -10.381
   51    H1*    G   5           H1*        G   5  -8.629 -12.734  -9.852
   52    H8     G   5           H8         G   5  -5.733 -10.815  -8.842
   53    H1     G   5           H1         G   5  -9.335 -12.485  -3.802
   54   1H2     G   5          H21         G   5 -11.776 -13.163  -6.144
   55   2H2     G   5          H22         G   5 -11.318 -13.102  -4.456
   56   1H5*    A   6          1H5*        A   6 -11.914  -9.854 -10.414
   57   2H5*    A   6          2H5*        A   6 -12.943  -8.417 -10.570
   58    H4*    A   6           H4*        A   6 -13.798 -10.125  -8.995
   59    H3*    A   6           H3*        A   6 -14.078  -7.456  -8.678
   60    H2*    A   6           H2*        A   6 -12.189  -7.081  -7.227
   61   2HO*    A   6          2HO*        A   6 -14.439  -6.966  -6.068
   62    H1*    A   6           H1*        A   6 -12.813  -9.722  -5.792
   63    H8     A   6           H8         A   6  -9.675  -8.605  -7.698
   64   1H6     A   6          H61         A   6  -6.920  -8.370  -2.161
   65   2H6     A   6          H62         A   6  -6.691  -8.236  -3.895
   66    H2     A   6           H2         A   6 -11.259  -9.326  -1.518
   67   1H5*    A   7          1H5*        A   7 -16.092  -8.858  -4.664
   68   2H5*    A   7          2H5*        A   7 -17.505  -7.794  -4.533
   69    H4*    A   7           H4*        A   7 -16.402  -7.578  -2.494
   70    H3*    A   7           H3*        A   7 -15.735  -5.217  -4.237
   71    H2*    A   7           H2*        A   7 -14.219  -4.443  -2.597
   72   2HO*    A   7          2HO*        A   7 -16.212  -5.307  -1.014
   73    H1*    A   7           H1*        A   7 -13.837  -7.108  -1.382
   74    H8     A   7           H8         A   7 -12.520  -6.368  -4.887
   75   1H6     A   7          H61         A   7  -7.107  -5.236  -2.101
   76   2H6     A   7          H62         A   7  -7.914  -5.434  -3.642
   77    H2     A   7           H2         A   7 -10.227  -5.764   1.075
   78   1H5*    A   8          1H5*        A   8 -18.264  -2.177  -0.666
   79   2H5*    A   8          2H5*        A   8 -17.153  -1.021  -1.427
   80    H4*    A   8           H4*        A   8 -17.152  -1.999   1.232
   81    H3*    A   8           H3*        A   8 -15.409  -0.052  -0.257
   82    H2*    A   8           H2*        A   8 -13.825  -0.161   1.556
   83   2HO*    A   8          2HO*        A   8 -14.533  -0.585   3.516
   84    H1*    A   8           H1*        A   8 -13.944  -2.945   1.842
   85    H8     A   8           H8         A   8 -14.130  -2.239  -1.816
   86   1H6     A   8          H61         A   8  -7.950  -1.861  -1.768
   87   2H6     A   8          H62         A   8  -9.374  -1.953  -2.779
   88    H2     A   8           H2         A   8  -9.373  -1.936   2.485
   89   1H5*    C   9          1H5*        C   9 -15.846   2.140   4.146
   90   2H5*    C   9          2H5*        C   9 -15.819   3.726   3.351
   91    H4*    C   9           H4*        C   9 -14.098   3.257   5.177
   92    H3*    C   9           H3*        C   9 -13.479   4.515   2.531
   93    H2*    C   9           H2*        C   9 -11.134   4.543   3.069
   94   2HO*    C   9          2HO*        C   9 -12.146   4.462   5.605
   95    H1*    C   9           H1*        C   9 -11.023   1.955   4.088
   96   1H4     C   9          H41         C   9 -11.400   1.122  -2.445
   97   2H4     C   9          H42         C   9  -9.689   1.075  -2.043
   98    H5     C   9           H5         C   9 -13.127   1.643  -0.814
   99    H6     C   9           H6         C   9 -13.551   2.204   1.519
  100   1H5*    A  10          1H5*        A  10 -11.191   6.207   5.384
  101   2H5*    A  10          2H5*        A  10 -10.860   7.932   5.133
  102    H4*    A  10           H4*        A  10  -8.908   6.237   5.140
  103    H3*    A  10           H3*        A  10  -9.228   8.529   3.230
  104    H2*    A  10           H2*        A  10  -7.255   7.827   2.058
  105   2HO*    A  10          2HO*        A  10  -6.856   6.347   4.437
  106    H1*    A  10           H1*        A  10  -7.811   5.072   2.150
  107    H8     A  10           H8         A  10 -11.112   6.300   1.339
  108   1H6     A  10          H61         A  10  -9.207   7.383  -4.454
  109   2H6     A  10          H62         A  10 -10.600   7.240  -3.404
  110    H2     A  10           H2         A  10  -5.586   6.688  -1.904
  111   1H5*    A  11          1H5*        A  11  -4.998  11.597   5.379
  112   2H5*    A  11          2H5*        A  11  -5.031  11.219   3.646
  113    H4*    A  11           H4*        A  11  -3.146  10.333   5.770
  114    H3*    A  11           H3*        A  11  -2.870  11.579   3.087
  115    H2*    A  11           H2*        A  11  -0.998  10.209   2.490
  116   2HO*    A  11          2HO*        A  11  -0.636  10.218   5.144
  117    H1*    A  11           H1*        A  11  -1.961   7.798   3.441
  118    H8     A  11           H8         A  11  -5.143   9.113   2.328
  119   1H6     A  11          H61         A  11  -3.464   8.036  -3.534
  120   2H6     A  11          H62         A  11  -4.798   8.428  -2.473
  121    H2     A  11           H2         A  11   0.190   7.710  -0.960
  122   1H5*    G  12          1H5*        G  12   1.183  11.849   4.713
  123   2H5*    G  12          2H5*        G  12   1.703  13.517   4.403
  124    H4*    G  12           H4*        G  12   3.257  11.777   3.560
  125    H3*    G  12           H3*        G  12   2.149  13.879   1.746
  126    H2*    G  12           H2*        G  12   3.224  12.857  -0.156
  127   2HO*    G  12          2HO*        G  12   4.376  10.708   0.597
  128    H1*    G  12           H1*        G  12   2.427  10.281   0.392
  129    H8     G  12           H8         G  12  -0.109  12.827   1.630
  130    H1     G  12           H1         G  12  -0.935  10.917  -4.435
  131   1H2     G  12          H21         G  12   2.124   9.345  -4.045
  132   2H2     G  12          H22         G  12   0.769   9.698  -5.093
  133   1H5*    G  13          1H5*        G  13   5.764  12.973   0.256
  134   2H5*    G  13          2H5*        G  13   6.769  14.436   0.225
  135    H4*    G  13           H4*        G  13   6.914  13.453  -1.912
  136    H3*    G  13           H3*        G  13   5.195  15.916  -1.894
  137    H2*    G  13           H2*        G  13   4.822  15.622  -4.261
  138   2HO*    G  13          2HO*        G  13   6.962  14.926  -4.786
  139    H1*    G  13           H1*        G  13   4.318  12.886  -4.106
  140    H8     G  13           H8         G  13   2.964  14.653  -1.061
  141    H1     G  13           H1         G  13  -0.988  14.603  -6.119
  142   1H2     G  13          H21         G  13   1.739  13.407  -7.865
  143   2H2     G  13          H22         G  13   0.057  13.890  -7.900
  144   1H5*    C  14          1H5*        C  14   7.621  17.146  -5.252
  145   2H5*    C  14          2H5*        C  14   8.405  18.588  -4.578
  146    H4*    C  14           H4*        C  14   7.527  19.326  -6.588
  147    H3*    C  14           H3*        C  14   5.596  20.077  -4.396
  148    H2*    C  14           H2*        C  14   4.250  21.147  -6.092
  149   2HO*    C  14          2HO*        C  14   6.582  21.452  -7.286
  150    H1*    C  14           H1*        C  14   4.493  19.034  -7.931
  151   1H4     C  14          H41         C  14  -0.053  17.156  -3.537
  152   2H4     C  14          H42         C  14  -0.925  18.121  -4.718
  153    H5     C  14           H5         C  14   2.343  16.887  -3.585
  154    H6     C  14           H6         C  14   4.398  17.506  -4.742
  155   1H5*    U  15          1H5*        U  15   5.425  24.009  -6.217
  156   2H5*    U  15          2H5*        U  15   5.632  24.977  -4.745
  157    H4*    U  15           H4*        U  15   3.512  25.393  -5.954
  158    H3*    U  15           H3*        U  15   3.463  24.539  -3.079
  159    H2*    U  15           H2*        U  15   1.055  24.584  -3.124
  160   2HO*    U  15          2HO*        U  15   0.425  25.115  -5.614
  161    H1*    U  15           H1*        U  15   0.798  23.193  -5.497
  162    H3     U  15           H3         U  15  -0.129  20.163  -2.235
  163    H5     U  15           H5         U  15   4.060  20.238  -2.494
  164    H6     U  15           H6         U  15   3.860  22.126  -3.973
  165   1H5*    U  16          1H5*        U  16   1.583  29.400  -1.536
  166   2H5*    U  16          2H5*        U  16   0.916  28.193  -0.419
  167    H4*    U  16           H4*        U  16  -0.874  29.570  -1.096
  168    H3*    U  16           H3*        U  16  -1.276  26.990  -1.274
  169    H2*    U  16           H2*        U  16  -0.296  26.611  -3.455
  170   2HO*    U  16          2HO*        U  16  -2.252  25.749  -3.878
  171    H1*    U  16           H1*        U  16  -1.761  29.020  -4.617
  172    H3     U  16           H3         U  16   0.550  27.697  -8.305
  173    H5     U  16           H5         U  16   3.478  28.941  -5.560
  174    H6     U  16           H6         U  16   1.739  29.099  -3.899
  175   1H5*    C  17          1H5*        C  17  -4.520  26.027  -3.199
  176   2H5*    C  17          2H5*        C  17  -5.668  25.543  -1.936
  177    H4*    C  17           H4*        C  17  -4.777  23.773  -3.591
  178    H3*    C  17           H3*        C  17  -5.839  23.329  -1.118
  179    H2*    C  17           H2*        C  17  -3.719  23.441   0.073
  180   2HO*    C  17          2HO*        C  17  -4.652  20.940  -0.527
  181    H1*    C  17           H1*        C  17  -2.560  21.811  -2.275
  182   1H4     C  17          H41         C  17   2.820  24.452   0.362
  183   2H4     C  17          H42         C  17   2.825  22.805   0.979
  184    H5     C  17           H5         C  17   0.956  25.420  -0.808
  185    H6     C  17           H6         C  17  -1.245  24.980  -1.752
  186   1H5*    G  18          1H5*        G  18  -7.215  23.867  -2.781
  187   2H5*    G  18          2H5*        G  18  -8.819  23.389  -2.192
  188    H4*    G  18           H4*        G  18  -9.682  24.262  -4.026
  189    H3*    G  18           H3*        G  18  -8.384  21.873  -5.230
  190    H2*    G  18           H2*        G  18  -8.057  22.871  -7.300
  191   2HO*    G  18          2HO*        G  18  -9.753  24.039  -8.237
  192    H1*    G  18           H1*        G  18  -8.883  25.609  -6.346
  193    H8     G  18           H8         G  18  -7.729  26.687  -8.382
  194    H1     G  18           H1         G  18  -2.199  23.797  -6.871
  195   1H2     G  18          H21         G  18  -4.083  22.042  -4.573
  196   2H2     G  18          H22         G  18  -2.513  22.328  -5.289
  197   1H5*    G  19          1H5*        G  19  -9.012  18.319  -6.057
  198   2H5*    G  19          2H5*        G  19  -8.205  19.830  -5.606
  199    H4*    G  19           H4*        G  19  -9.032  19.641  -8.414
  200    H3*    G  19           H3*        G  19  -7.345  17.488  -7.325
  201    H2*    G  19           H2*        G  19  -5.463  17.929  -8.708
  202   2HO*    G  19          2HO*        G  19  -6.770  19.872 -10.250
  203    H1*    G  19           H1*        G  19  -5.548  20.701  -8.768
  204    H8     G  19           H8         G  19  -6.467  19.238  -5.373
  205    H1     G  19           H1         G  19  -0.226  20.416  -6.222
  206   1H2     G  19          H21         G  19  -1.063  20.988  -9.513
  207   2H2     G  19          H22         G  19   0.198  20.906  -8.294
  208   1H5*    C  20          1H5*        C  20  -7.744  16.122 -11.597
  209   2H5*    C  20          2H5*        C  20  -8.050  14.379 -11.467
  210    H4*    C  20           H4*        C  20  -6.064  14.967 -12.822
  211    H3*    C  20           H3*        C  20  -5.849  13.128 -10.475
  212    H2*    C  20           H2*        C  20  -3.456  13.001 -10.745
  213   2HO*    C  20          2HO*        C  20  -2.454  13.963 -12.560
  214    H1*    C  20           H1*        C  20  -3.036  15.708 -11.038
  215   1H4     C  20          H41         C  20  -4.610  15.255  -4.675
  216   2H4     C  20          H42         C  20  -2.898  14.906  -4.725
  217    H5     C  20           H5         C  20  -5.961  15.516  -6.629
  218    H6     C  20           H6         C  20  -5.976  15.564  -9.049
  219   1H5*    C  21          1H5*        C  21  -3.036  11.555 -12.537
  220   2H5*    C  21          2H5*        C  21  -3.577   9.970 -13.124
  221    H4*    C  21           H4*        C  21  -1.450   9.625 -12.207
  222    H3*    C  21           H3*        C  21  -3.620   8.639 -10.378
  223    H2*    C  21           H2*        C  21  -1.955   7.980  -8.784
  224   2HO*    C  21          2HO*        C  21   0.201   8.725 -10.404
  225    H1*    C  21           H1*        C  21  -0.286  10.232  -9.155
  226   1H4     C  21          H41         C  21  -4.936  12.163  -4.901
  227   2H4     C  21          H42         C  21  -3.751  11.321  -3.916
  228    H5     C  21           H5         C  21  -4.821  12.229  -7.318
  229    H6     C  21           H6         C  21  -3.553  11.496  -9.275
  230   1H5*    U  22          1H5*        U  22  -1.041   5.959  -9.971
  231   2H5*    U  22          2H5*        U  22  -1.655   4.296  -9.885
  232    H4*    U  22           H4*        U  22  -0.539   5.447  -7.812
  233    H3*    U  22           H3*        U  22  -2.809   3.508  -7.852
  234    H2*    U  22           H2*        U  22  -3.218   3.840  -5.507
  235   2HO*    U  22          2HO*        U  22  -0.607   4.508  -5.547
  236    H1*    U  22           H1*        U  22  -3.053   6.601  -5.531
  237    H3     U  22           H3         U  22  -7.439   5.133  -5.332
  238    H5     U  22           H5         U  22  -6.581   5.971  -9.357
  239    H6     U  22           H6         U  22  -4.261   6.157  -8.744
  240   1H5*    G  23          1H5*        G  23   0.939   2.424  -4.464
  241   2H5*    G  23          2H5*        G  23   0.278   0.821  -4.081
  242    H4*    G  23           H4*        G  23   0.776   2.756  -2.259
  243    H3*    G  23           H3*        G  23  -1.092   0.415  -2.161
  244    H2*    G  23           H2*        G  23  -2.051   1.256  -0.119
  245   2HO*    G  23          2HO*        G  23   0.365   2.581  -0.039
  246    H1*    G  23           H1*        G  23  -2.261   3.903  -0.956
  247    H8     G  23           H8         G  23  -2.971   2.044  -4.045
  248    H1     G  23           H1         G  23  -7.854   1.860   0.110
  249   1H2     G  23          H21         G  23  -5.558   3.069   2.399
  250   2H2     G  23          H22         G  23  -7.201   2.553   2.089
  251   1H5*    C  24          1H5*        C  24  -0.016  -2.749   1.445
  252   2H5*    C  24          2H5*        C  24  -1.667  -2.288   0.985
  253    H4*    C  24           H4*        C  24  -0.126  -1.561   3.460
  254    H3*    C  24           H3*        C  24  -2.622  -3.151   2.971
  255    H2*    C  24           H2*        C  24  -3.566  -2.291   5.009
  256   2HO*    C  24          2HO*        C  24  -2.215  -1.894   6.598
  257    H1*    C  24           H1*        C  24  -2.733   0.354   4.626
  258   1H4     C  24          H41         C  24  -7.976  -0.253   0.699
  259   2H4     C  24          H42         C  24  -8.639   0.078   2.290
  260    H5     C  24           H5         C  24  -5.622  -0.653   0.317
  261    H6     C  24           H6         C  24  -3.429  -0.810   1.372
  262   1H5*    U  25          1H5*        U  25  -2.834  -4.268   6.318
  263   2H5*    U  25          2H5*        U  25  -3.032  -6.026   6.465
  264    H4*    U  25           H4*        U  25  -5.013  -4.704   7.154
  265    H3*    U  25           H3*        U  25  -5.247  -6.806   5.027
  266    H2*    U  25           H2*        U  25  -7.595  -6.266   4.781
  267   2HO*    U  25          2HO*        U  25  -7.427  -5.565   7.275
  268    H1*    U  25           H1*        U  25  -7.215  -3.542   4.603
  269    H3     U  25           H3         U  25  -7.780  -5.069   0.339
  270    H5     U  25           H5         U  25  -3.664  -5.347   1.115
  271    H6     U  25           H6         U  25  -4.144  -4.856   3.423
  272   1H5*    U  26          1H5*        U  26  -8.425  -8.397   7.484
  273   2H5*    U  26          2H5*        U  26  -8.154 -10.150   7.435
  274    H4*    U  26           H4*        U  26 -10.338  -9.437   6.516
  275    H3*    U  26           H3*        U  26  -8.439 -10.948   4.731
  276    H2*    U  26           H2*        U  26 -10.106 -10.865   3.000
  277   2HO*    U  26          2HO*        U  26 -11.815 -11.162   4.779
  278    H1*    U  26           H1*        U  26 -10.868  -8.191   3.510
  279    H3     U  26           H3         U  26  -8.822  -8.592  -0.597
  280    H5     U  26           H5         U  26  -5.794  -7.731   2.182
  281    H6     U  26           H6         U  26  -7.401  -8.106   3.934
  282   1H5*    U  27          1H5*        U  27 -12.170 -13.343   4.602
  283   2H5*    U  27          2H5*        U  27 -11.633 -15.027   4.450
  284    H4*    U  27           H4*        U  27 -13.157 -14.256   2.647
  285    H3*    U  27           H3*        U  27 -10.452 -15.369   1.972
  286    H2*    U  27           H2*        U  27 -10.925 -15.008  -0.372
  287   2HO*    U  27          2HO*        U  27 -13.201 -15.561  -0.197
  288    H1*    U  27           H1*        U  27 -11.825 -12.409  -0.050
  289    H3     U  27           H3         U  27  -7.590 -12.025  -1.633
  290    H5     U  27           H5         U  27  -7.139 -12.650   2.493
  291    H6     U  27           H6         U  27  -9.490 -13.153   2.594
  292   1H5*    U  28          1H5*        U  28 -13.691 -17.926  -0.286
  293   2H5*    U  28          2H5*        U  28 -12.968 -19.543  -0.180
  294    H4*    U  28           H4*        U  28 -13.732 -18.971  -2.442
  295    H3*    U  28           H3*        U  28 -10.819 -19.577  -2.028
  296    H2*    U  28           H2*        U  28 -10.460 -19.229  -4.397
  297   2HO*    U  28          2HO*        U  28 -13.304 -19.213  -4.426
  298    H1*    U  28           H1*        U  28 -11.830 -16.827  -4.491
  299    H3     U  28           H3         U  28  -7.418 -15.722  -4.395
  300    H5     U  28           H5         U  28  -8.495 -16.302  -0.377
  301    H6     U  28           H6         U  28 -10.605 -17.165  -1.148
  302   1H5*    G  29          1H5*        G  29 -11.058 -23.095  -4.408
  303   2H5*    G  29          2H5*        G  29 -10.308 -24.341  -3.393
  304    H4*    G  29           H4*        G  29  -9.033 -23.905  -5.433
  305    H3*    G  29           H3*        G  29  -7.663 -23.295  -2.820
  306    H2*    G  29           H2*        G  29  -5.745 -22.579  -4.038
  307   2HO*    G  29          2HO*        G  29  -5.195 -23.611  -5.824
  308    H1*    G  29           H1*        G  29  -7.234 -21.608  -6.323
  309    H8     G  29           H8         G  29  -8.449 -19.986  -3.213
  310    H1     G  29           H1         G  29  -3.045 -17.390  -5.491
  311   1H2     G  29          H21         G  29  -2.915 -20.177  -7.535
  312   2H2     G  29          H22         G  29  -2.175 -18.671  -7.042
  313   1H5*    C  30          1H5*        C  30  -4.751 -25.619  -5.085
  314   2H5*    C  30          2H5*        C  30  -4.042 -26.717  -3.885
  315    H4*    C  30           H4*        C  30  -2.359 -25.390  -5.071
  316    H3*    C  30           H3*        C  30  -2.583 -25.064  -2.092
  317    H2*    C  30           H2*        C  30  -0.792 -23.456  -2.164
  318   2HO*    C  30          2HO*        C  30  -0.528 -24.293  -4.886
  319    H1*    C  30           H1*        C  30  -1.730 -22.099  -4.429
  320   1H4     C  30          H41         C  30  -5.461 -19.968   0.577
  321   2H4     C  30          H42         C  30  -4.202 -18.766   0.355
  322    H5     C  30           H5         C  30  -5.524 -22.046  -0.654
  323    H6     C  30           H6         C  30  -4.406 -23.392  -2.353
  324   1H5*    U  31          1H5*        U  31   1.750 -25.635  -2.969
  325   2H5*    U  31          2H5*        U  31   2.285 -26.731  -1.680
  326    H4*    U  31           H4*        U  31   3.650 -24.678  -1.900
  327    H3*    U  31           H3*        U  31   2.287 -25.268   0.716
  328    H2*    U  31           H2*        U  31   3.266 -23.271   1.625
  329   2HO*    U  31          2HO*        U  31   5.099 -22.509   0.835
  330    H1*    U  31           H1*        U  31   2.789 -21.687  -0.654
  331    H3     U  31           H3         U  31  -0.043 -20.031   2.466
  332    H5     U  31           H5         U  31  -1.895 -23.547   1.110
  333    H6     U  31           H6         U  31   0.116 -24.044  -0.114
  334    H3T    U  31           H3T        U  31   3.867 -26.594   0.445
  Start of MODEL   12
    1   1H5*    A   1          1H5*        A   1   0.507 -12.569   8.669
    2   2H5*    A   1          2H5*        A   1  -0.077 -14.236   8.522
    3    H4*    A   1           H4*        A   1   2.648 -13.295   7.644
    4    H3*    A   1           H3*        A   1   0.105 -13.468   6.046
    5    H2*    A   1           H2*        A   1   1.408 -14.283   4.181
    6   2HO*    A   1          2HO*        A   1   3.626 -13.611   5.852
    7    H1*    A   1           H1*        A   1   2.856 -16.125   5.684
    8    H8     A   1           H8         A   1  -0.575 -16.013   7.164
    9   1H6     A   1          H61         A   1  -2.298 -20.017   2.764
   10   2H6     A   1          H62         A   1  -2.773 -19.231   4.253
   11    H2     A   1           H2         A   1   1.804 -18.517   1.753
   12    H5T    A   1           H5T        A   1   1.801 -14.855   9.765
   13   1H5*    G   2          1H5*        G   2   3.017 -11.389   3.883
   14   2H5*    G   2          2H5*        G   2   2.392 -10.092   2.847
   15    H4*    G   2           H4*        G   2   3.752 -11.814   1.671
   16    H3*    G   2           H3*        G   2   0.924 -11.318   0.748
   17    H2*    G   2           H2*        G   2   1.302 -12.926  -0.989
   18   2HO*    G   2          2HO*        G   2   3.316 -12.373  -1.725
   19    H1*    G   2           H1*        G   2   2.866 -14.676   0.641
   20    H8     G   2           H8         G   2  -0.070 -13.945   2.681
   21    H1     G   2           H1         G   2  -1.440 -17.901  -2.175
   22   1H2     G   2          H21         G   2   1.633 -16.946  -3.443
   23   2H2     G   2          H22         G   2   0.189 -17.912  -3.640
   24   1H5*    U   3          1H5*        U   3   3.614  -9.969  -2.802
   25   2H5*    U   3          2H5*        U   3   2.621  -8.728  -3.590
   26    H4*    U   3           H4*        U   3   3.366 -10.469  -5.139
   27    H3*    U   3           H3*        U   3   0.394 -10.198  -4.723
   28    H2*    U   3           H2*        U   3   0.111 -11.914  -6.406
   29   2HO*    U   3          2HO*        U   3   1.736 -12.501  -7.735
   30    H1*    U   3           H1*        U   3   2.058 -13.595  -5.328
   31    H3     U   3           H3         U   3  -1.825 -15.593  -4.152
   32    H5     U   3           H5         U   3  -1.431 -12.401  -1.452
   33    H6     U   3           H6         U   3   0.452 -11.642  -2.743
   34   1H5*    A   4          1H5*        A   4   0.885  -9.124  -9.199
   35   2H5*    A   4          2H5*        A   4  -0.230  -7.750  -9.327
   36    H4*    A   4           H4*        A   4  -0.629  -9.412 -11.057
   37    H3*    A   4           H3*        A   4  -2.839  -8.894  -9.099
   38    H2*    A   4           H2*        A   4  -4.196 -10.557 -10.239
   39   2HO*    A   4          2HO*        A   4  -2.001 -11.004 -12.001
   40    H1*    A   4           H1*        A   4  -2.257 -12.499 -10.185
   41    H8     A   4           H8         A   4  -1.309 -10.541  -7.239
   42   1H6     A   4          H61         A   4  -5.847 -13.245  -4.036
   43   2H6     A   4          H62         A   4  -4.403 -12.262  -3.938
   44    H2     A   4           H2         A   4  -6.480 -14.166  -8.387
   45   1H5*    G   5          1H5*        G   5  -5.259  -7.339 -12.311
   46   2H5*    G   5          2H5*        G   5  -5.959  -5.858 -11.630
   47    H4*    G   5           H4*        G   5  -7.603  -7.642 -12.153
   48    H3*    G   5           H3*        G   5  -7.439  -6.559  -9.351
   49    H2*    G   5           H2*        G   5  -9.249  -8.041  -8.743
   50   2HO*    G   5          2HO*        G   5  -9.427  -9.177 -11.291
   51    H1*    G   5           H1*        G   5  -8.186 -10.276 -10.034
   52    H8     G   5           H8         G   5  -5.119  -8.789  -8.796
   53    H1     G   5           H1         G   5  -8.695 -11.180  -4.034
   54   1H2     G   5          H21         G   5 -11.236 -11.239  -6.364
   55   2H2     G   5          H22         G   5 -10.725 -11.548  -4.719
   56   1H5*    A   6          1H5*        A   6 -11.158  -7.249  -9.866
   57   2H5*    A   6          2H5*        A   6 -12.164  -5.805  -9.652
   58    H4*    A   6           H4*        A   6 -12.909  -7.786  -8.360
   59    H3*    A   6           H3*        A   6 -13.126  -5.226  -7.529
   60    H2*    A   6           H2*        A   6 -11.062  -5.158  -6.259
   61   2HO*    A   6          2HO*        A   6 -12.822  -6.402  -4.392
   62    H1*    A   6           H1*        A   6 -11.758  -7.986  -5.258
   63    H8     A   6           H8         A   6  -8.595  -6.697  -7.012
   64   1H6     A   6          H61         A   6  -5.729  -7.713  -1.616
   65   2H6     A   6          H62         A   6  -5.525  -7.258  -3.298
   66    H2     A   6           H2         A   6 -10.121  -8.452  -1.027
   67   1H5*    A   7          1H5*        A   7 -14.324  -7.410  -3.718
   68   2H5*    A   7          2H5*        A   7 -15.841  -6.668  -3.173
   69    H4*    A   7           H4*        A   7 -14.546  -6.617  -1.273
   70    H3*    A   7           H3*        A   7 -14.438  -3.955  -2.619
   71    H2*    A   7           H2*        A   7 -12.551  -3.284  -1.397
   72   2HO*    A   7          2HO*        A   7 -14.149  -3.928   0.523
   73    H1*    A   7           H1*        A   7 -12.005  -6.034  -0.340
   74    H8     A   7           H8         A   7 -10.893  -4.936  -3.824
   75   1H6     A   7          H61         A   7  -5.329  -4.058  -1.257
   76   2H6     A   7          H62         A   7  -6.219  -4.099  -2.766
   77    H2     A   7           H2         A   7  -8.243  -4.935   2.021
   78   1H5*    A   8          1H5*        A   8 -16.094  -0.615   1.034
   79   2H5*    A   8          2H5*        A   8 -14.538  -0.438   0.200
   80    H4*    A   8           H4*        A   8 -15.111  -1.014   3.075
   81    H3*    A   8           H3*        A   8 -13.531   1.063   1.611
   82    H2*    A   8           H2*        A   8 -11.865   1.074   3.336
   83   2HO*    A   8          2HO*        A   8 -12.987   0.959   5.219
   84    H1*    A   8           H1*        A   8 -11.739  -1.684   3.697
   85    H8     A   8           H8         A   8 -12.200  -0.567   0.062
   86   1H6     A   8          H61         A   8  -6.017  -0.810  -0.286
   87   2H6     A   8          H62         A   8  -7.492  -0.588  -1.200
   88    H2     A   8           H2         A   8  -7.199  -1.466   3.986
   89   1H5*    C   9          1H5*        C   9 -14.177   2.980   6.707
   90   2H5*    C   9          2H5*        C   9 -13.396   4.340   5.877
   91    H4*    C   9           H4*        C   9 -12.331   2.757   7.902
   92    H3*    C   9           H3*        C   9 -11.182   4.884   6.140
   93    H2*    C   9           H2*        C   9  -8.947   4.219   6.725
   94   2HO*    C   9          2HO*        C   9  -9.907   2.214   8.466
   95    H1*    C   9           H1*        C   9  -9.349   1.481   6.486
   96   1H4     C   9          H41         C   9  -9.125   3.668   0.260
   97   2H4     C   9          H42         C   9  -7.516   3.068   0.638
   98    H5     C   9           H5         C   9 -10.906   3.784   1.910
   99    H6     C   9           H6         C   9 -11.491   3.350   4.234
  100   1H5*    A  10          1H5*        A  10  -8.338   7.856   9.194
  101   2H5*    A  10          2H5*        A  10  -8.654   8.149   7.473
  102    H4*    A  10           H4*        A  10  -6.393   6.807   8.805
  103    H3*    A  10           H3*        A  10  -6.725   8.642   6.486
  104    H2*    A  10           H2*        A  10  -4.973   7.585   5.243
  105   2HO*    A  10          2HO*        A  10  -4.215   5.645   6.976
  106    H1*    A  10           H1*        A  10  -5.642   4.956   5.798
  107    H8     A  10           H8         A  10  -9.017   6.231   5.581
  108   1H6     A  10          H61         A  10  -8.441   6.548  -0.574
  109   2H6     A  10          H62         A  10  -9.562   6.592   0.768
  110    H2     A  10           H2         A  10  -4.350   5.985   1.179
  111   1H5*    A  11          1H5*        A  11  -2.236  11.699   7.919
  112   2H5*    A  11          2H5*        A  11  -2.625  11.620   6.190
  113    H4*    A  11           H4*        A  11  -0.272  10.695   7.645
  114    H3*    A  11           H3*        A  11  -0.831  11.749   4.941
  115    H2*    A  11           H2*        A  11   0.689  10.284   3.826
  116   2HO*    A  11          2HO*        A  11   2.253   9.133   4.963
  117    H1*    A  11           H1*        A  11   0.096   7.950   5.156
  118    H8     A  11           H8         A  11  -3.245   9.345   5.271
  119   1H6     A  11          H61         A  11  -3.945   7.974  -0.726
  120   2H6     A  11          H62         A  11  -4.769   8.453   0.740
  121    H2     A  11           H2         A  11   0.407   7.610   0.285
  122   1H5*    G  12          1H5*        G  12   3.299  11.283   4.770
  123   2H5*    G  12          2H5*        G  12   3.953  12.923   4.599
  124    H4*    G  12           H4*        G  12   4.994  11.557   2.974
  125    H3*    G  12           H3*        G  12   3.080  13.575   1.903
  126    H2*    G  12           H2*        G  12   3.266  12.694  -0.323
  127   2HO*    G  12          2HO*        G  12   5.668  11.946   0.571
  128    H1*    G  12           H1*        G  12   3.048  10.041   0.319
  129    H8     G  12           H8         G  12   1.068  12.339   2.648
  130    H1     G  12           H1         G  12  -2.131  10.196  -2.482
  131   1H2     G  12          H21         G  12   0.928   8.916  -3.478
  132   2H2     G  12          H22         G  12  -0.774   9.115  -3.829
  133   1H5*    G  13          1H5*        G  13   6.163  12.926  -0.973
  134   2H5*    G  13          2H5*        G  13   6.925  14.512  -1.203
  135    H4*    G  13           H4*        G  13   6.587  13.583  -3.343
  136    H3*    G  13           H3*        G  13   4.746  15.849  -2.697
  137    H2*    G  13           H2*        G  13   3.587  15.549  -4.780
  138   2HO*    G  13          2HO*        G  13   5.402  15.122  -6.098
  139    H1*    G  13           H1*        G  13   3.391  12.797  -4.656
  140    H8     G  13           H8         G  13   3.175  14.457  -1.246
  141    H1     G  13           H1         G  13  -2.432  13.757  -4.282
  142   1H2     G  13          H21         G  13  -0.508  12.800  -6.996
  143   2H2     G  13          H22         G  13  -2.108  13.095  -6.354
  144   1H5*    C  14          1H5*        C  14   6.707  16.385  -6.684
  145   2H5*    C  14          2H5*        C  14   6.779  18.111  -7.091
  146    H4*    C  14           H4*        C  14   5.656  16.681  -8.791
  147    H3*    C  14           H3*        C  14   4.206  19.019  -7.583
  148    H2*    C  14           H2*        C  14   2.292  18.490  -8.956
  149   2HO*    C  14          2HO*        C  14   2.426  16.759 -10.475
  150    H1*    C  14           H1*        C  14   2.248  15.815  -8.289
  151   1H4     C  14          H41         C  14   0.381  19.091  -2.874
  152   2H4     C  14          H42         C  14  -1.073  18.942  -3.848
  153    H5     C  14           H5         C  14   2.559  18.392  -3.656
  154    H6     C  14           H6         C  14   3.784  17.400  -5.520
  155   1H5*    U  15          1H5*        U  15   2.460  19.444 -10.959
  156   2H5*    U  15          2H5*        U  15   2.403  21.180 -11.317
  157    H4*    U  15           H4*        U  15   0.205  19.985 -10.831
  158    H3*    U  15           H3*        U  15   1.006  22.590  -9.591
  159    H2*    U  15           H2*        U  15  -1.068  22.615  -8.345
  160   2HO*    U  15          2HO*        U  15  -2.301  20.439  -8.710
  161    H1*    U  15           H1*        U  15  -0.802  20.044  -7.402
  162    H3     U  15           H3         U  15   0.597  23.031  -4.172
  163    H5     U  15           H5         U  15   4.010  21.788  -6.279
  164    H6     U  15           H6         U  15   2.552  20.791  -7.902
  165   1H5*    U  16          1H5*        U  16  -2.130  24.888 -13.247
  166   2H5*    U  16          2H5*        U  16  -1.905  26.294 -12.190
  167    H4*    U  16           H4*        U  16  -4.165  26.297 -12.422
  168    H3*    U  16           H3*        U  16  -3.456  25.666  -9.884
  169    H2*    U  16           H2*        U  16  -3.692  23.262 -10.134
  170   2HO*    U  16          2HO*        U  16  -5.152  23.272  -8.585
  171    H1*    U  16           H1*        U  16  -6.224  23.891 -11.788
  172    H3     U  16           H3         U  16  -7.138  19.478 -11.863
  173    H5     U  16           H5         U  16  -3.189  19.712 -13.270
  174    H6     U  16           H6         U  16  -3.219  22.060 -12.747
  175   1H5*    C  17          1H5*        C  17  -6.424  24.478  -8.097
  176   2H5*    C  17          2H5*        C  17  -7.301  25.887  -7.467
  177    H4*    C  17           H4*        C  17  -6.973  24.129  -5.784
  178    H3*    C  17           H3*        C  17  -6.987  26.631  -5.104
  179    H2*    C  17           H2*        C  17  -4.665  27.143  -5.707
  180   2HO*    C  17          2HO*        C  17  -5.242  26.850  -3.072
  181    H1*    C  17           H1*        C  17  -3.764  24.646  -4.198
  182   1H4     C  17          H41         C  17   0.797  25.763  -8.828
  183   2H4     C  17          H42         C  17   1.504  26.366  -7.339
  184    H5     C  17           H5         C  17  -1.492  24.989  -8.974
  185    H6     C  17           H6         C  17  -3.560  24.631  -7.727
  186   1H5*    G  18          1H5*        G  18  -8.948  25.308  -5.397
  187   2H5*    G  18          2H5*        G  18 -10.488  25.574  -4.559
  188    H4*    G  18           H4*        G  18 -11.282  23.593  -5.160
  189    H3*    G  18           H3*        G  18  -8.650  22.333  -4.391
  190    H2*    G  18           H2*        G  18  -9.423  20.374  -5.595
  191   2HO*    G  18          2HO*        G  18 -11.784  21.915  -6.089
  192    H1*    G  18           H1*        G  18  -9.953  21.844  -7.871
  193    H8     G  18           H8         G  18  -7.955  21.728  -9.299
  194    H1     G  18           H1         G  18  -3.969  21.762  -4.283
  195   1H2     G  18          H21         G  18  -6.832  22.256  -2.381
  196   2H2     G  18          H22         G  18  -5.094  22.062  -2.408
  197   1H5*    G  19          1H5*        G  19 -10.410  17.534  -2.510
  198   2H5*    G  19          2H5*        G  19  -8.851  18.332  -2.247
  199    H4*    G  19           H4*        G  19 -10.455  18.679  -4.760
  200    H3*    G  19           H3*        G  19  -8.602  16.415  -4.149
  201    H2*    G  19           H2*        G  19  -7.515  16.690  -6.287
  202   2HO*    G  19          2HO*        G  19  -8.610  18.712  -7.463
  203    H1*    G  19           H1*        G  19  -7.339  19.479  -6.172
  204    H8     G  19           H8         G  19  -6.845  18.833  -2.681
  205    H1     G  19           H1         G  19  -1.733  16.961  -6.068
  206   1H2     G  19          H21         G  19  -3.809  17.189  -8.794
  207   2H2     G  19          H22         G  19  -2.221  16.768  -8.177
  208   1H5*    C  20          1H5*        C  20 -10.178  15.082  -7.764
  209   2H5*    C  20          2H5*        C  20 -10.551  13.349  -7.685
  210    H4*    C  20           H4*        C  20  -8.915  13.756  -9.392
  211    H3*    C  20           H3*        C  20  -8.045  12.158  -7.025
  212    H2*    C  20           H2*        C  20  -5.776  12.111  -7.805
  213   2HO*    C  20          2HO*        C  20  -5.676  13.461 -10.006
  214    H1*    C  20           H1*        C  20  -5.609  14.763  -8.566
  215   1H4     C  20          H41         C  20  -5.298  14.990  -1.992
  216   2H4     C  20          H42         C  20  -3.652  15.166  -2.561
  217    H5     C  20           H5         C  20  -7.152  14.558  -3.434
  218    H6     C  20           H6         C  20  -7.864  14.232  -5.722
  219   1H5*    C  21          1H5*        C  21  -5.747  10.905 -10.092
  220   2H5*    C  21          2H5*        C  21  -6.117   9.195 -10.387
  221    H4*    C  21           H4*        C  21  -3.780   9.355 -10.342
  222    H3*    C  21           H3*        C  21  -4.897   8.132  -7.847
  223    H2*    C  21           H2*        C  21  -2.689   7.994  -6.904
  224   2HO*    C  21          2HO*        C  21  -1.308   9.157  -8.972
  225    H1*    C  21           H1*        C  21  -1.867  10.543  -7.668
  226   1H4     C  21          H41         C  21  -5.966  11.430  -2.551
  227   2H4     C  21          H42         C  21  -4.339  11.500  -1.894
  228    H5     C  21           H5         C  21  -6.430  10.899  -4.870
  229    H6     C  21           H6         C  21  -5.417  10.346  -7.031
  230   1H5*    U  22          1H5*        U  22  -1.401   6.261  -7.743
  231   2H5*    U  22          2H5*        U  22  -1.797   4.531  -7.764
  232    H4*    U  22           H4*        U  22  -0.460   5.460  -5.787
  233    H3*    U  22           H3*        U  22  -2.774   3.573  -5.579
  234    H2*    U  22           H2*        U  22  -2.715   3.700  -3.185
  235   2HO*    U  22          2HO*        U  22  -0.488   5.421  -3.184
  236    H1*    U  22           H1*        U  22  -2.336   6.458  -3.011
  237    H3     U  22           H3         U  22  -6.632   5.738  -1.717
  238    H5     U  22           H5         U  22  -6.743   5.766  -5.915
  239    H6     U  22           H6         U  22  -4.337   5.785  -5.904
  240   1H5*    G  23          1H5*        G  23   1.451   2.925  -3.113
  241   2H5*    G  23          2H5*        G  23   1.432   1.151  -3.084
  242    H4*    G  23           H4*        G  23   2.126   2.267  -0.954
  243    H3*    G  23           H3*        G  23  -0.066   0.226  -1.034
  244    H2*    G  23           H2*        G  23  -0.440   0.532   1.336
  245   2HO*    G  23          2HO*        G  23   1.698   2.421   1.318
  246    H1*    G  23           H1*        G  23  -0.525   3.287   1.238
  247    H8     G  23           H8         G  23  -1.741   1.974  -2.067
  248    H1     G  23           H1         G  23  -6.216   2.024   2.525
  249   1H2     G  23          H21         G  23  -3.592   2.714   4.669
  250   2H2     G  23          H22         G  23  -5.308   2.441   4.480
  251   1H5*    C  24          1H5*        C  24   0.238  -3.508   1.567
  252   2H5*    C  24          2H5*        C  24  -1.287  -2.649   1.860
  253    H4*    C  24           H4*        C  24   1.394  -2.026   3.098
  254    H3*    C  24           H3*        C  24  -1.010  -3.449   4.209
  255    H2*    C  24           H2*        C  24  -0.584  -2.401   6.334
  256   2HO*    C  24          2HO*        C  24   1.474  -2.113   6.787
  257    H1*    C  24           H1*        C  24  -0.044   0.136   5.262
  258   1H4     C  24          H41         C  24  -6.605  -0.195   5.195
  259   2H4     C  24          H42         C  24  -6.209   0.044   6.887
  260    H5     C  24           H5         C  24  -4.921  -0.614   3.503
  261    H6     C  24           H6         C  24  -2.532  -0.886   3.092
  262   1H5*    U  25          1H5*        U  25  -1.170  -4.419   7.407
  263   2H5*    U  25          2H5*        U  25  -1.121  -6.189   7.316
  264    H4*    U  25           H4*        U  25  -3.319  -5.346   7.970
  265    H3*    U  25           H3*        U  25  -3.114  -6.901   5.407
  266    H2*    U  25           H2*        U  25  -5.493  -6.623   5.103
  267   2HO*    U  25          2HO*        U  25  -6.790  -6.145   6.757
  268    H1*    U  25           H1*        U  25  -5.527  -3.921   5.710
  269    H3     U  25           H3         U  25  -5.870  -3.679   1.234
  270    H5     U  25           H5         U  25  -1.919  -4.947   1.850
  271    H6     U  25           H6         U  25  -2.425  -5.140   4.195
  272   1H5*    U  26          1H5*        U  26  -6.442  -8.906   7.720
  273   2H5*    U  26          2H5*        U  26  -6.173 -10.625   7.374
  274    H4*    U  26           H4*        U  26  -8.464  -9.919   6.891
  275    H3*    U  26           H3*        U  26  -6.811 -10.912   4.580
  276    H2*    U  26           H2*        U  26  -8.739 -10.614   3.164
  277   2HO*    U  26          2HO*        U  26 -10.508  -9.565   4.904
  278    H1*    U  26           H1*        U  26  -9.437  -8.111   4.220
  279    H3     U  26           H3         U  26  -7.832  -7.386   0.014
  280    H5     U  26           H5         U  26  -4.443  -7.604   2.484
  281    H6     U  26           H6         U  26  -5.884  -8.336   4.266
  282   1H5*    U  27          1H5*        U  27 -10.487 -13.253   4.746
  283   2H5*    U  27          2H5*        U  27 -10.178 -14.895   4.150
  284    H4*    U  27           H4*        U  27 -11.997 -13.687   2.968
  285    H3*    U  27           H3*        U  27  -9.655 -14.774   1.434
  286    H2*    U  27           H2*        U  27 -10.640 -13.918  -0.603
  287   2HO*    U  27          2HO*        U  27 -12.714 -13.120  -0.642
  288    H1*    U  27           H1*        U  27 -11.144 -11.396   0.412
  289    H3     U  27           H3         U  27  -7.383 -11.048  -2.115
  290    H5     U  27           H5         U  27  -6.055 -12.346   1.654
  291    H6     U  27           H6         U  27  -8.361 -12.679   2.260
  292   1H5*    U  28          1H5*        U  28 -13.273 -16.604  -0.704
  293   2H5*    U  28          2H5*        U  28 -12.744 -18.293  -0.833
  294    H4*    U  28           H4*        U  28 -13.557 -17.433  -2.958
  295    H3*    U  28           H3*        U  28 -10.656 -18.215  -2.835
  296    H2*    U  28           H2*        U  28 -10.481 -17.649  -5.186
  297   2HO*    U  28          2HO*        U  28 -12.675 -18.385  -5.688
  298    H1*    U  28           H1*        U  28 -11.685 -15.178  -4.899
  299    H3     U  28           H3         U  28  -7.170 -14.477  -5.078
  300    H5     U  28           H5         U  28  -8.040 -15.238  -1.038
  301    H6     U  28           H6         U  28 -10.262 -15.868  -1.714
  302   1H5*    G  29          1H5*        G  29 -11.391 -21.554  -5.470
  303   2H5*    G  29          2H5*        G  29 -10.541 -22.894  -4.677
  304    H4*    G  29           H4*        G  29  -9.589 -22.271  -6.866
  305    H3*    G  29           H3*        G  29  -7.807 -22.065  -4.445
  306    H2*    G  29           H2*        G  29  -6.050 -21.300  -5.859
  307   2HO*    G  29          2HO*        G  29  -7.132 -23.049  -7.517
  308    H1*    G  29           H1*        G  29  -7.801 -19.987  -7.757
  309    H8     G  29           H8         G  29  -8.411 -18.673  -4.349
  310    H1     G  29           H1         G  29  -3.192 -16.176  -7.117
  311   1H2     G  29          H21         G  29  -3.579 -18.699  -9.452
  312   2H2     G  29          H22         G  29  -2.659 -17.312  -8.911
  313   1H5*    C  30          1H5*        C  30  -5.261 -23.768  -7.321
  314   2H5*    C  30          2H5*        C  30  -4.652 -25.241  -6.543
  315    H4*    C  30           H4*        C  30  -2.795 -23.983  -7.333
  316    H3*    C  30           H3*        C  30  -3.077 -24.038  -4.347
  317    H2*    C  30           H2*        C  30  -1.168 -22.602  -4.133
  318   2HO*    C  30          2HO*        C  30  -0.801 -22.958  -6.946
  319    H1*    C  30           H1*        C  30  -1.815 -20.903  -6.279
  320   1H4     C  30          H41         C  30  -5.476 -18.865  -1.178
  321   2H4     C  30          H42         C  30  -4.145 -17.730  -1.329
  322    H5     C  30           H5         C  30  -5.669 -20.850  -2.542
  323    H6     C  30           H6         C  30  -4.635 -22.152  -4.324
  324   1H5*    U  31          1H5*        U  31   0.653 -24.309  -5.257
  325   2H5*    U  31          2H5*        U  31   1.583 -25.651  -4.560
  326    H4*    U  31           H4*        U  31   2.789 -23.653  -4.158
  327    H3*    U  31           H3*        U  31   1.473 -24.721  -1.671
  328    H2*    U  31           H2*        U  31   2.444 -22.904  -0.443
  329   2HO*    U  31          2HO*        U  31   4.347 -23.143  -2.265
  330    H1*    U  31           H1*        U  31   1.997 -20.966  -2.464
  331    H3     U  31           H3         U  31  -0.794 -19.486   0.724
  332    H5     U  31           H5         U  31  -2.575 -23.062  -0.572
  333    H6     U  31           H6         U  31  -0.626 -23.451  -1.931
  334    H3T    U  31           H3T        U  31   3.130 -25.873  -1.715
  Start of MODEL   13
    1   1H5*    A   1          1H5*        A   1   1.186  -7.139   6.046
    2   2H5*    A   1          2H5*        A   1   0.710  -8.820   6.345
    3    H4*    A   1           H4*        A   1   3.502  -7.816   5.808
    4    H3*    A   1           H3*        A   1   1.510  -9.150   4.000
    5    H2*    A   1           H2*        A   1   3.315 -10.411   3.004
    6   2HO*    A   1          2HO*        A   1   4.755  -8.358   3.572
    7    H1*    A   1           H1*        A   1   4.473 -11.150   5.417
    8    H8     A   1           H8         A   1   0.909 -11.134   6.304
    9   1H6     A   1          H61         A   1   0.347 -16.629   3.507
   10   2H6     A   1          H62         A   1  -0.426 -15.472   4.567
   11    H2     A   1           H2         A   1   4.325 -14.892   2.376
   12    H5T    A   1           H5T        A   1   2.432  -7.200   7.927
   13   1H5*    G   2          1H5*        G   2   4.553  -8.726   1.733
   14   2H5*    G   2          2H5*        G   2   4.189  -7.921   0.195
   15    H4*    G   2           H4*        G   2   5.259 -10.042  -0.204
   16    H3*    G   2           H3*        G   2   2.357  -9.964  -1.038
   17    H2*    G   2           H2*        G   2   2.689 -12.180  -1.929
   18   2HO*    G   2          2HO*        G   2   5.014 -11.394  -2.537
   19    H1*    G   2           H1*        G   2   4.284 -13.043   0.265
   20    H8     G   2           H8         G   2   1.561 -11.383   1.980
   21    H1     G   2           H1         G   2  -0.342 -16.888  -0.707
   22   1H2     G   2          H21         G   2   2.625 -16.704  -2.476
   23   2H2     G   2          H22         G   2   1.150 -17.588  -2.156
   24   1H5*    U   3          1H5*        U   3   4.280 -10.380  -5.126
   25   2H5*    U   3          2H5*        U   3   3.315  -9.249  -6.094
   26    H4*    U   3           H4*        U   3   3.284 -11.386  -7.149
   27    H3*    U   3           H3*        U   3   0.646 -10.649  -5.893
   28    H2*    U   3           H2*        U   3  -0.239 -12.718  -6.799
   29   2HO*    U   3          2HO*        U   3   1.461 -14.078  -7.931
   30    H1*    U   3           H1*        U   3   1.878 -14.262  -5.879
   31    H3     U   3           H3         U   3  -1.502 -15.108  -2.975
   32    H5     U   3           H5         U   3   0.084 -11.428  -1.720
   33    H6     U   3           H6         U   3   1.443 -11.423  -3.706
   34   1H5*    A   4          1H5*        A   4  -0.293 -10.984 -10.255
   35   2H5*    A   4          2H5*        A   4  -1.677  -9.921 -10.577
   36    H4*    A   4           H4*        A   4  -2.005 -12.334 -11.151
   37    H3*    A   4           H3*        A   4  -3.946 -11.042  -9.231
   38    H2*    A   4           H2*        A   4  -5.177 -13.141  -9.318
   39   2HO*    A   4          2HO*        A   4  -3.304 -13.726 -11.391
   40    H1*    A   4           H1*        A   4  -2.864 -14.683  -8.949
   41    H8     A   4           H8         A   4  -2.048 -11.884  -6.810
   42   1H6     A   4          H61         A   4  -6.087 -13.901  -2.588
   43   2H6     A   4          H62         A   4  -4.743 -12.822  -2.889
   44    H2     A   4           H2         A   4  -6.894 -16.075  -6.429
   45   1H5*    G   5          1H5*        G   5  -6.929 -11.113 -12.445
   46   2H5*    G   5          2H5*        G   5  -7.728  -9.537 -12.294
   47    H4*    G   5           H4*        G   5  -9.221 -11.454 -11.888
   48    H3*    G   5           H3*        G   5  -8.846  -9.468  -9.652
   49    H2*    G   5           H2*        G   5 -10.479 -10.737  -8.393
   50   2HO*    G   5          2HO*        G   5 -10.854 -12.753 -10.214
   51    H1*    G   5           H1*        G   5  -9.349 -13.224  -9.008
   52    H8     G   5           H8         G   5  -6.381 -11.112  -8.603
   53    H1     G   5           H1         G   5  -9.287 -12.375  -3.022
   54   1H2     G   5          H21         G   5 -11.921 -13.440  -4.972
   55   2H2     G   5          H22         G   5 -11.277 -13.190  -3.364
   56   1H5*    A   6          1H5*        A   6 -12.541 -10.388  -9.713
   57   2H5*    A   6          2H5*        A   6 -13.673  -9.028  -9.828
   58    H4*    A   6           H4*        A   6 -14.172 -10.639  -8.011
   59    H3*    A   6           H3*        A   6 -14.593  -7.969  -7.870
   60    H2*    A   6           H2*        A   6 -12.519  -7.398  -6.757
   61   2HO*    A   6          2HO*        A   6 -13.487  -8.128  -4.328
   62    H1*    A   6           H1*        A   6 -12.873  -9.930  -5.044
   63    H8     A   6           H8         A   6  -9.971  -8.796  -7.290
   64   1H6     A   6          H61         A   6  -6.739  -8.115  -2.052
   65   2H6     A   6          H62         A   6  -6.684  -8.075  -3.803
   66    H2     A   6           H2         A   6 -10.966  -9.205  -0.956
   67   1H5*    A   7          1H5*        A   7 -15.884  -9.286  -3.517
   68   2H5*    A   7          2H5*        A   7 -17.285  -8.256  -3.166
   69    H4*    A   7           H4*        A   7 -15.799  -8.028  -1.353
   70    H3*    A   7           H3*        A   7 -15.709  -5.602  -3.136
   71    H2*    A   7           H2*        A   7 -13.964  -4.715  -1.812
   72   2HO*    A   7          2HO*        A   7 -15.547  -5.525   0.104
   73    H1*    A   7           H1*        A   7 -13.165  -7.365  -0.742
   74    H8     A   7           H8         A   7 -12.483  -6.525  -4.390
   75   1H6     A   7          H61         A   7  -6.817  -4.907  -2.430
   76   2H6     A   7          H62         A   7  -7.809  -5.191  -3.847
   77    H2     A   7           H2         A   7  -9.389  -5.614   1.155
   78   1H5*    A   8          1H5*        A   8 -17.819  -2.087  -0.610
   79   2H5*    A   8          2H5*        A   8 -16.500  -1.225  -1.422
   80    H4*    A   8           H4*        A   8 -16.537  -2.696   1.125
   81    H3*    A   8           H3*        A   8 -15.127  -0.275   0.068
   82    H2*    A   8           H2*        A   8 -13.268  -0.672   1.520
   83   2HO*    A   8          2HO*        A   8 -13.880  -1.333   3.452
   84    H1*    A   8           H1*        A   8 -13.193  -3.460   1.229
   85    H8     A   8           H8         A   8 -13.767  -2.425  -2.221
   86   1H6     A   8          H61         A   8  -7.792  -0.836  -2.586
   87   2H6     A   8          H62         A   8  -9.256  -1.140  -3.492
   88    H2     A   8           H2         A   8  -8.815  -1.469   1.744
   89   1H5*    C   9          1H5*        C   9 -15.716   1.381   4.358
   90   2H5*    C   9          2H5*        C   9 -15.907   3.097   3.947
   91    H4*    C   9           H4*        C   9 -13.949   2.503   5.414
   92    H3*    C   9           H3*        C   9 -13.694   4.165   2.939
   93    H2*    C   9           H2*        C   9 -11.302   4.241   3.192
   94   2HO*    C   9          2HO*        C   9 -11.419   2.693   5.552
   95    H1*    C   9           H1*        C   9 -10.964   1.543   3.742
   96   1H4     C   9          H41         C   9 -12.315   1.712  -2.716
   97   2H4     C   9          H42         C   9 -10.566   1.820  -2.590
   98    H5     C   9           H5         C   9 -13.781   1.748  -0.779
   99    H6     C   9           H6         C   9 -13.860   1.894   1.651
  100   1H5*    A  10          1H5*        A  10 -10.817   8.061   4.766
  101   2H5*    A  10          2H5*        A  10 -11.172   7.862   3.038
  102    H4*    A  10           H4*        A  10  -8.894   6.772   4.650
  103    H3*    A  10           H3*        A  10  -9.102   8.671   2.376
  104    H2*    A  10           H2*        A  10  -7.281   7.669   1.186
  105   2HO*    A  10          2HO*        A  10  -5.755   6.536   2.210
  106    H1*    A  10           H1*        A  10  -7.963   5.022   1.590
  107    H8     A  10           H8         A  10 -11.343   6.270   1.323
  108   1H6     A  10          H61         A  10 -10.566   6.899  -4.787
  109   2H6     A  10          H62         A  10 -11.734   6.862  -3.486
  110    H2     A  10           H2         A  10  -6.531   6.298  -2.927
  111   1H5*    A  11          1H5*        A  11  -4.559  10.379   4.697
  112   2H5*    A  11          2H5*        A  11  -4.262  11.217   3.161
  113    H4*    A  11           H4*        A  11  -2.723   9.195   4.393
  114    H3*    A  11           H3*        A  11  -2.454  10.787   1.873
  115    H2*    A  11           H2*        A  11  -0.876   9.204   0.998
  116   2HO*    A  11          2HO*        A  11  -0.017   8.969   3.323
  117    H1*    A  11           H1*        A  11  -2.234   6.904   1.812
  118    H8     A  11           H8         A  11  -5.108   8.847   0.812
  119   1H6     A  11          H61         A  11  -3.622   7.889  -5.122
  120   2H6     A  11          H62         A  11  -4.872   8.432  -4.025
  121    H2     A  11           H2         A  11  -0.092   6.748  -2.602
  122   1H5*    G  12          1H5*        G  12   1.487  10.090   3.062
  123   2H5*    G  12          2H5*        G  12   2.437  11.586   2.961
  124    H4*    G  12           H4*        G  12   3.447   9.750   1.707
  125    H3*    G  12           H3*        G  12   2.654  12.248   0.277
  126    H2*    G  12           H2*        G  12   3.239  11.282  -1.851
  127   2HO*    G  12          2HO*        G  12   4.900   9.951  -1.775
  128    H1*    G  12           H1*        G  12   1.988   8.861  -1.461
  129    H8     G  12           H8         G  12   0.236  11.751   0.312
  130    H1     G  12           H1         G  12  -1.787  10.556  -5.655
  131   1H2     G  12          H21         G  12   0.886   8.363  -5.797
  132   2H2     G  12          H22         G  12  -0.489   9.069  -6.618
  133   1H5*    G  13          1H5*        G  13   6.136  11.335  -1.789
  134   2H5*    G  13          2H5*        G  13   7.043  12.854  -1.930
  135    H4*    G  13           H4*        G  13   6.546  11.936  -4.111
  136    H3*    G  13           H3*        G  13   5.232  14.551  -3.430
  137    H2*    G  13           H2*        G  13   4.201  14.557  -5.605
  138   2HO*    G  13          2HO*        G  13   5.188  12.166  -6.516
  139    H1*    G  13           H1*        G  13   3.488  11.849  -5.577
  140    H8     G  13           H8         G  13   3.001  13.333  -2.161
  141    H1     G  13           H1         G  13  -1.884  14.310  -6.206
  142   1H2     G  13          H21         G  13   0.264  13.108  -8.629
  143   2H2     G  13          H22         G  13  -1.319  13.739  -8.239
  144   1H5*    C  14          1H5*        C  14   7.037  15.709  -7.232
  145   2H5*    C  14          2H5*        C  14   8.117  17.022  -6.724
  146    H4*    C  14           H4*        C  14   6.938  17.927  -8.500
  147    H3*    C  14           H3*        C  14   5.620  18.827  -5.942
  148    H2*    C  14           H2*        C  14   4.105  20.125  -7.306
  149   2HO*    C  14          2HO*        C  14   6.166  19.881  -9.092
  150    H1*    C  14           H1*        C  14   3.663  18.055  -9.151
  151   1H4     C  14          H41         C  14  -0.030  16.613  -3.879
  152   2H4     C  14          H42         C  14  -0.993  17.718  -4.847
  153    H5     C  14           H5         C  14   2.257  16.060  -4.441
  154    H6     C  14           H6         C  14   4.086  16.481  -5.987
  155   1H5*    U  15          1H5*        U  15   6.536  23.125  -6.775
  156   2H5*    U  15          2H5*        U  15   6.611  23.626  -5.075
  157    H4*    U  15           H4*        U  15   4.680  24.482  -6.513
  158    H3*    U  15           H3*        U  15   4.323  23.340  -3.757
  159    H2*    U  15           H2*        U  15   1.940  23.728  -3.965
  160   2HO*    U  15          2HO*        U  15   1.270  25.235  -5.307
  161    H1*    U  15           H1*        U  15   1.740  22.481  -6.405
  162    H3     U  15           H3         U  15   0.507  19.553  -3.059
  163    H5     U  15           H5         U  15   4.597  18.924  -3.748
  164    H6     U  15           H6         U  15   4.596  20.909  -5.110
  165   1H5*    U  16          1H5*        U  16   3.294  27.937  -1.143
  166   2H5*    U  16          2H5*        U  16   2.426  26.533  -0.492
  167    H4*    U  16           H4*        U  16   1.019  28.534  -0.674
  168    H3*    U  16           H3*        U  16   0.070  26.122  -1.075
  169    H2*    U  16           H2*        U  16   0.733  25.871  -3.397
  170   2HO*    U  16          2HO*        U  16  -1.584  25.592  -3.243
  171    H1*    U  16           H1*        U  16  -0.356  28.661  -4.023
  172    H3     U  16           H3         U  16   1.061  27.646  -8.210
  173    H5     U  16           H5         U  16   4.544  27.593  -5.866
  174    H6     U  16           H6         U  16   3.144  27.839  -3.919
  175   1H5*    C  17          1H5*        C  17  -3.386  26.085  -2.681
  176   2H5*    C  17          2H5*        C  17  -4.542  25.721  -1.385
  177    H4*    C  17           H4*        C  17  -4.226  23.994  -3.247
  178    H3*    C  17           H3*        C  17  -5.045  23.495  -0.682
  179    H2*    C  17           H2*        C  17  -2.823  23.026   0.187
  180   2HO*    C  17          2HO*        C  17  -3.905  21.130   0.642
  181    H1*    C  17           H1*        C  17  -2.348  21.499  -2.450
  182   1H4     C  17          H41         C  17   3.769  22.665  -0.387
  183   2H4     C  17          H42         C  17   3.482  20.996   0.083
  184    H5     C  17           H5         C  17   2.032  24.114  -1.233
  185    H6     C  17           H6         C  17  -0.317  24.242  -1.865
  186   1H5*    G  18          1H5*        G  18  -6.657  24.152  -1.967
  187   2H5*    G  18          2H5*        G  18  -8.217  23.992  -1.140
  188    H4*    G  18           H4*        G  18  -9.257  24.870  -2.875
  189    H3*    G  18           H3*        G  18  -8.204  22.483  -4.304
  190    H2*    G  18           H2*        G  18  -8.045  23.584  -6.353
  191   2HO*    G  18          2HO*        G  18 -10.565  24.199  -5.583
  192    H1*    G  18           H1*        G  18  -8.575  26.299  -5.171
  193    H8     G  18           H8         G  18  -7.475  27.567  -7.075
  194    H1     G  18           H1         G  18  -2.258  23.839  -6.781
  195   1H2     G  18          H21         G  18  -4.064  21.994  -4.487
  196   2H2     G  18          H22         G  18  -2.574  22.193  -5.375
  197   1H5*    G  19          1H5*        G  19  -9.172  18.976  -4.395
  198   2H5*    G  19          2H5*        G  19  -8.520  20.607  -4.158
  199    H4*    G  19           H4*        G  19  -9.605  20.342  -6.802
  200    H3*    G  19           H3*        G  19  -7.951  18.023  -5.987
  201    H2*    G  19           H2*        G  19  -6.419  18.302  -7.812
  202   2HO*    G  19          2HO*        G  19  -7.026  20.209  -9.286
  203    H1*    G  19           H1*        G  19  -6.108  21.029  -7.653
  204    H8     G  19           H8         G  19  -6.733  19.587  -4.205
  205    H1     G  19           H1         G  19  -0.590  19.583  -6.028
  206   1H2     G  19          H21         G  19  -1.798  20.466  -9.127
  207   2H2     G  19          H22         G  19  -0.408  20.097  -8.113
  208   1H5*    C  20          1H5*        C  20  -9.408  16.833 -10.018
  209   2H5*    C  20          2H5*        C  20  -9.745  15.092  -9.958
  210    H4*    C  20           H4*        C  20  -8.073  15.760 -11.662
  211    H3*    C  20           H3*        C  20  -7.442  13.705  -9.586
  212    H2*    C  20           H2*        C  20  -5.160  13.558 -10.361
  213   2HO*    C  20          2HO*        C  20  -4.891  13.869 -12.448
  214    H1*    C  20           H1*        C  20  -4.708  16.271 -10.506
  215   1H4     C  20          H41         C  20  -4.930  15.279  -4.025
  216   2H4     C  20          H42         C  20  -3.311  14.797  -4.466
  217    H5     C  20           H5         C  20  -6.609  15.855  -5.601
  218    H6     C  20           H6         C  20  -7.133  16.146  -7.934
  219   1H5*    C  21          1H5*        C  21  -5.538  12.087 -12.586
  220   2H5*    C  21          2H5*        C  21  -6.476  10.707 -13.193
  221    H4*    C  21           H4*        C  21  -4.307   9.911 -13.125
  222    H3*    C  21           H3*        C  21  -5.865   8.964 -10.760
  223    H2*    C  21           H2*        C  21  -3.912   7.973  -9.785
  224   2HO*    C  21          2HO*        C  21  -2.083   7.580 -10.980
  225    H1*    C  21           H1*        C  21  -2.146  10.051 -10.368
  226   1H4     C  21          H41         C  21  -5.565  12.309  -5.208
  227   2H4     C  21          H42         C  21  -4.377  11.216  -4.512
  228    H5     C  21           H5         C  21  -5.882  12.540  -7.606
  229    H6     C  21           H6         C  21  -5.120  11.753  -9.803
  230   1H5*    U  22          1H5*        U  22  -3.180   6.055 -11.231
  231   2H5*    U  22          2H5*        U  22  -3.993   4.485 -11.080
  232    H4*    U  22           H4*        U  22  -2.174   5.352  -9.342
  233    H3*    U  22           H3*        U  22  -4.480   3.500  -8.945
  234    H2*    U  22           H2*        U  22  -4.216   3.564  -6.558
  235   2HO*    U  22          2HO*        U  22  -1.860   3.567  -6.665
  236    H1*    U  22           H1*        U  22  -3.910   6.300  -6.327
  237    H3     U  22           H3         U  22  -8.168   5.019  -5.104
  238    H5     U  22           H5         U  22  -8.348   6.177  -9.137
  239    H6     U  22           H6         U  22  -5.941   6.213  -9.154
  240   1H5*    G  23          1H5*        G  23  -0.868  -0.084  -6.187
  241   2H5*    G  23          2H5*        G  23  -2.616   0.059  -5.918
  242    H4*    G  23           H4*        G  23  -0.350   1.357  -4.458
  243    H3*    G  23           H3*        G  23  -2.601  -0.437  -3.660
  244    H2*    G  23           H2*        G  23  -2.894   0.758  -1.590
  245   2HO*    G  23          2HO*        G  23  -0.324   1.277  -1.906
  246    H1*    G  23           H1*        G  23  -2.843   3.289  -2.681
  247    H8     G  23           H8         G  23  -4.335   1.555  -5.500
  248    H1     G  23           H1         G  23  -8.388   1.927  -0.545
  249   1H2     G  23          H21         G  23  -5.593   2.793   1.294
  250   2H2     G  23          H22         G  23  -7.317   2.498   1.278
  251   1H5*    C  24          1H5*        C  24  -1.168  -2.699   0.498
  252   2H5*    C  24          2H5*        C  24  -2.844  -2.140   0.664
  253    H4*    C  24           H4*        C  24  -0.344  -0.683   1.511
  254    H3*    C  24           H3*        C  24  -2.429  -2.160   3.089
  255    H2*    C  24           H2*        C  24  -2.280  -0.476   4.809
  256   2HO*    C  24          2HO*        C  24  -0.499   0.670   5.037
  257    H1*    C  24           H1*        C  24  -2.342   1.694   3.066
  258   1H4     C  24          H41         C  24  -8.589  -0.329   3.086
  259   2H4     C  24          H42         C  24  -8.386   0.424   4.658
  260    H5     C  24           H5         C  24  -6.740  -0.708   1.567
  261    H6     C  24           H6         C  24  -4.340  -0.444   1.247
  262   1H5*    U  25          1H5*        U  25  -2.544  -2.285   6.122
  263   2H5*    U  25          2H5*        U  25  -2.436  -3.985   6.615
  264    H4*    U  25           H4*        U  25  -4.727  -3.019   6.676
  265    H3*    U  25           H3*        U  25  -4.223  -5.456   4.970
  266    H2*    U  25           H2*        U  25  -6.597  -5.471   4.513
  267   2HO*    U  25          2HO*        U  25  -7.614  -3.397   5.665
  268    H1*    U  25           H1*        U  25  -6.742  -2.710   4.053
  269    H3     U  25           H3         U  25  -7.253  -4.338  -0.100
  270    H5     U  25           H5         U  25  -3.166  -4.862   0.695
  271    H6     U  25           H6         U  25  -3.599  -4.188   2.969
  272   1H5*    U  26          1H5*        U  26  -7.583  -6.738   7.593
  273   2H5*    U  26          2H5*        U  26  -7.169  -8.421   7.976
  274    H4*    U  26           H4*        U  26  -9.403  -8.246   7.042
  275    H3*    U  26           H3*        U  26  -7.396  -9.742   5.364
  276    H2*    U  26           H2*        U  26  -9.175 -10.204   3.806
  277   2HO*    U  26          2HO*        U  26 -11.284  -9.990   4.358
  278    H1*    U  26           H1*        U  26 -10.263  -7.605   3.914
  279    H3     U  26           H3         U  26  -8.480  -8.057  -0.242
  280    H5     U  26           H5         U  26  -5.240  -7.095   2.247
  281    H6     U  26           H6         U  26  -6.707  -7.371   4.133
  282   1H5*    U  27          1H5*        U  27 -10.877 -12.218   6.059
  283   2H5*    U  27          2H5*        U  27 -10.461 -13.941   5.980
  284    H4*    U  27           H4*        U  27 -12.222 -13.220   4.382
  285    H3*    U  27           H3*        U  27  -9.716 -14.508   3.312
  286    H2*    U  27           H2*        U  27 -10.714 -14.382   1.111
  287   2HO*    U  27          2HO*        U  27 -12.857 -14.796   1.460
  288    H1*    U  27           H1*        U  27 -11.522 -11.726   1.401
  289    H3     U  27           H3         U  27  -7.944 -11.587  -1.366
  290    H5     U  27           H5         U  27  -6.295 -11.906   2.479
  291    H6     U  27           H6         U  27  -8.505 -12.354   3.307
  292   1H5*    U  28          1H5*        U  28 -12.839 -17.640   2.148
  293   2H5*    U  28          2H5*        U  28 -11.940 -19.159   2.326
  294    H4*    U  28           H4*        U  28 -12.927 -18.863   0.094
  295    H3*    U  28           H3*        U  28  -9.926 -19.090   0.262
  296    H2*    U  28           H2*        U  28  -9.908 -19.056  -2.163
  297   2HO*    U  28          2HO*        U  28 -12.084 -18.738  -3.176
  298    H1*    U  28           H1*        U  28 -11.557 -16.827  -2.324
  299    H3     U  28           H3         U  28  -7.230 -15.535  -3.088
  300    H5     U  28           H5         U  28  -7.775 -15.326   1.073
  301    H6     U  28           H6         U  28  -9.880 -16.454   0.775
  302   1H5*    G  29          1H5*        G  29  -9.999 -22.960  -1.564
  303   2H5*    G  29          2H5*        G  29  -8.871 -23.902  -0.570
  304    H4*    G  29           H4*        G  29  -8.126 -23.526  -2.909
  305    H3*    G  29           H3*        G  29  -6.350 -22.530  -0.680
  306    H2*    G  29           H2*        G  29  -4.796 -21.823  -2.355
  307   2HO*    G  29          2HO*        G  29  -6.221 -23.714  -3.899
  308    H1*    G  29           H1*        G  29  -6.843 -21.126  -4.274
  309    H8     G  29           H8         G  29  -7.661 -19.358  -1.167
  310    H1     G  29           H1         G  29  -2.783 -16.643  -4.329
  311   1H2     G  29          H21         G  29  -2.716 -19.584  -6.148
  312   2H2     G  29          H22         G  29  -2.027 -17.999  -5.877
  313   1H5*    C  30          1H5*        C  30  -3.616 -24.955  -3.032
  314   2H5*    C  30          2H5*        C  30  -2.539 -25.701  -1.835
  315    H4*    C  30           H4*        C  30  -1.366 -24.338  -3.529
  316    H3*    C  30           H3*        C  30  -1.084 -23.584  -0.626
  317    H2*    C  30           H2*        C  30   0.405 -21.821  -1.296
  318   2HO*    C  30          2HO*        C  30   1.189 -23.433  -3.092
  319    H1*    C  30           H1*        C  30  -1.102 -21.066  -3.571
  320   1H4     C  30          H41         C  30  -3.869 -18.042   1.603
  321   2H4     C  30          H42         C  30  -2.800 -16.865   0.858
  322    H5     C  30           H5         C  30  -4.002 -20.345   0.866
  323    H6     C  30           H6         C  30  -3.142 -21.982  -0.726
  324   1H5*    U  31          1H5*        U  31   2.875 -23.506  -2.132
  325   2H5*    U  31          2H5*        U  31   3.708 -24.785  -1.228
  326    H4*    U  31           H4*        U  31   5.198 -23.016  -1.174
  327    H3*    U  31           H3*        U  31   3.651 -23.061   1.405
  328    H2*    U  31           H2*        U  31   4.894 -21.137   2.129
  329   2HO*    U  31          2HO*        U  31   6.621 -20.368   0.655
  330    H1*    U  31           H1*        U  31   4.793 -19.812  -0.361
  331    H3     U  31           H3         U  31   2.106 -17.195   2.119
  332    H5     U  31           H5         U  31  -0.131 -20.709   1.577
  333    H6     U  31           H6         U  31   1.808 -21.694   0.547
  334    H3T    U  31           H3T        U  31   5.745 -23.694   2.096
  Start of MODEL   14
    1   1H5*    A   1          1H5*        A   1  -1.508 -10.380   9.201
    2   2H5*    A   1          2H5*        A   1  -1.986  -9.757   7.611
    3    H4*    A   1           H4*        A   1   0.483  -9.997   8.036
    4    H3*    A   1           H3*        A   1  -0.881 -11.070   5.601
    5    H2*    A   1           H2*        A   1   1.181 -12.069   4.847
    6   2HO*    A   1          2HO*        A   1   2.521 -10.290   5.603
    7    H1*    A   1           H1*        A   1   1.849 -13.227   7.262
    8    H8     A   1           H8         A   1  -1.833 -13.350   7.389
    9   1H6     A   1          H61         A   1  -1.615 -18.316   3.698
   10   2H6     A   1          H62         A   1  -2.631 -17.347   4.741
   11    H2     A   1           H2         A   1   2.452 -16.425   3.730
   12    H5T    A   1           H5T        A   1  -2.710 -12.026   8.754
   13   1H5*    G   2          1H5*        G   2   2.236  -9.102   3.752
   14   2H5*    G   2          2H5*        G   2   1.675  -8.255   2.297
   15    H4*    G   2           H4*        G   2   3.358 -10.038   1.883
   16    H3*    G   2           H3*        G   2   0.680 -10.193   0.510
   17    H2*    G   2           H2*        G   2   1.473 -12.174  -0.620
   18   2HO*    G   2          2HO*        G   2   3.915 -11.071   0.093
   19    H1*    G   2           H1*        G   2   2.653 -13.291   1.684
   20    H8     G   2           H8         G   2  -0.365 -12.032   3.186
   21    H1     G   2           H1         G   2  -1.586 -16.968  -0.725
   22   1H2     G   2          H21         G   2   1.596 -16.397  -1.956
   23   2H2     G   2          H22         G   2   0.132 -17.352  -2.032
   24   1H5*    U   3          1H5*        U   3   3.355  -9.718  -3.125
   25   2H5*    U   3          2H5*        U   3   2.445  -8.535  -4.084
   26    H4*    U   3           H4*        U   3   2.914 -10.462  -5.424
   27    H3*    U   3           H3*        U   3   0.007 -10.146  -4.708
   28    H2*    U   3           H2*        U   3  -0.438 -12.105  -6.068
   29   2HO*    U   3          2HO*        U   3   1.579 -13.134  -6.987
   30    H1*    U   3           H1*        U   3   1.586 -13.617  -4.923
   31    H3     U   3           H3         U   3  -2.230 -15.125  -2.978
   32    H5     U   3           H5         U   3  -1.265 -11.620  -0.875
   33    H6     U   3           H6         U   3   0.457 -11.208  -2.505
   34   1H5*    A   4          1H5*        A   4   0.078  -9.670  -9.246
   35   2H5*    A   4          2H5*        A   4  -1.307  -8.631  -9.632
   36    H4*    A   4           H4*        A   4  -1.277 -10.846 -10.779
   37    H3*    A   4           H3*        A   4  -3.671 -10.063  -9.131
   38    H2*    A   4           H2*        A   4  -4.694 -12.172  -9.791
   39   2HO*    A   4          2HO*        A   4  -2.410 -12.306 -11.495
   40    H1*    A   4           H1*        A   4  -2.473 -13.679  -9.115
   41    H8     A   4           H8         A   4  -2.136 -11.014  -6.660
   42   1H6     A   4          H61         A   4  -6.726 -13.505  -3.354
   43   2H6     A   4          H62         A   4  -5.410 -12.353  -3.349
   44    H2     A   4           H2         A   4  -6.746 -15.416  -7.418
   45   1H5*    G   5          1H5*        G   5  -5.953  -9.753 -12.869
   46   2H5*    G   5          2H5*        G   5  -6.881  -8.256 -12.652
   47    H4*    G   5           H4*        G   5  -8.272 -10.286 -12.840
   48    H3*    G   5           H3*        G   5  -8.498  -8.611 -10.350
   49    H2*    G   5           H2*        G   5 -10.204 -10.139  -9.568
   50   2HO*    G   5          2HO*        G   5 -10.484 -12.044 -11.193
   51    H1*    G   5           H1*        G   5  -8.771 -12.443 -10.202
   52    H8     G   5           H8         G   5  -6.061 -10.233  -9.154
   53    H1     G   5           H1         G   5  -9.705 -12.108  -4.216
   54   1H2     G   5          H21         G   5 -11.951 -13.105  -6.634
   55   2H2     G   5          H22         G   5 -11.577 -12.956  -4.931
   56   1H5*    A   6          1H5*        A   6 -12.120  -9.822 -11.011
   57   2H5*    A   6          2H5*        A   6 -13.222  -8.455 -11.261
   58    H4*    A   6           H4*        A   6 -14.031 -10.143  -9.640
   59    H3*    A   6           H3*        A   6 -14.473  -7.483  -9.448
   60    H2*    A   6           H2*        A   6 -12.639  -6.959  -7.965
   61   2HO*    A   6          2HO*        A   6 -14.612  -6.469  -6.834
   62    H1*    A   6           H1*        A   6 -13.225  -9.564  -6.443
   63    H8     A   6           H8         A   6 -10.030  -8.350  -8.196
   64   1H6     A   6          H61         A   6  -7.633  -7.809  -2.514
   65   2H6     A   6          H62         A   6  -7.309  -7.714  -4.235
   66    H2     A   6           H2         A   6 -11.954  -8.973  -2.101
   67   1H5*    A   7          1H5*        A   7 -16.483  -8.971  -5.443
   68   2H5*    A   7          2H5*        A   7 -17.942  -7.970  -5.314
   69    H4*    A   7           H4*        A   7 -16.843  -7.780  -3.255
   70    H3*    A   7           H3*        A   7 -16.390  -5.311  -4.914
   71    H2*    A   7           H2*        A   7 -14.926  -4.472  -3.261
   72   2HO*    A   7          2HO*        A   7 -16.809  -5.140  -1.695
   73    H1*    A   7           H1*        A   7 -14.322  -7.134  -2.132
   74    H8     A   7           H8         A   7 -13.082  -6.190  -5.613
   75   1H6     A   7          H61         A   7  -7.775  -4.680  -2.796
   76   2H6     A   7          H62         A   7  -8.562  -4.908  -4.343
   77    H2     A   7           H2         A   7 -10.837  -5.524   0.362
   78   1H5*    A   8          1H5*        A   8 -17.247  -1.332  -2.410
   79   2H5*    A   8          2H5*        A   8 -15.969  -2.413  -2.997
   80    H4*    A   8           H4*        A   8 -16.677  -2.388  -0.096
   81    H3*    A   8           H3*        A   8 -15.139  -0.190  -1.449
   82    H2*    A   8           H2*        A   8 -13.554  -0.227   0.370
   83   2HO*    A   8          2HO*        A   8 -15.596  -1.769   1.585
   84    H1*    A   8           H1*        A   8 -13.321  -3.005   0.466
   85    H8     A   8           H8         A   8 -13.668  -2.382  -3.142
   86   1H6     A   8          H61         A   8  -7.705  -0.724  -3.250
   87   2H6     A   8          H62         A   8  -9.097  -1.142  -4.221
   88    H2     A   8           H2         A   8  -9.009  -0.957   1.039
   89   1H5*    C   9          1H5*        C   9 -15.930   2.282   3.019
   90   2H5*    C   9          2H5*        C   9 -15.382   3.668   2.056
   91    H4*    C   9           H4*        C   9 -14.077   2.652   4.204
   92    H3*    C   9           H3*        C   9 -13.101   4.328   1.922
   93    H2*    C   9           H2*        C   9 -10.823   3.990   2.626
   94   2HO*    C   9          2HO*        C   9 -11.624   4.035   4.966
   95    H1*    C   9           H1*        C   9 -11.047   1.258   3.075
   96   1H4     C   9          H41         C   9 -10.960   1.732  -3.498
   97   2H4     C   9          H42         C   9  -9.279   1.580  -3.008
   98    H5     C   9           H5         C   9 -12.781   1.970  -1.903
   99    H6     C   9           H6         C   9 -13.345   2.101   0.465
  100   1H5*    A  10          1H5*        A  10 -11.246   6.378   5.726
  101   2H5*    A  10          2H5*        A  10 -10.728   7.925   5.026
  102    H4*    A  10           H4*        A  10  -9.043   6.042   5.947
  103    H3*    A  10           H3*        A  10  -8.621   8.187   3.902
  104    H2*    A  10           H2*        A  10  -6.506   7.231   3.286
  105   2HO*    A  10          2HO*        A  10  -6.843   5.937   5.765
  106    H1*    A  10           H1*        A  10  -7.341   4.568   3.284
  107    H8     A  10           H8         A  10 -10.304   6.037   1.813
  108   1H6     A  10          H61         A  10  -7.209   6.792  -3.494
  109   2H6     A  10          H62         A  10  -8.788   6.793  -2.739
  110    H2     A  10           H2         A  10  -4.233   5.873  -0.268
  111   1H5*    A  11          1H5*        A  11  -4.524  10.933   5.553
  112   2H5*    A  11          2H5*        A  11  -4.997  10.644   3.868
  113    H4*    A  11           H4*        A  11  -2.819   9.340   5.469
  114    H3*    A  11           H3*        A  11  -2.840  11.069   3.026
  115    H2*    A  11           H2*        A  11  -1.077   9.770   2.044
  116   2HO*    A  11          2HO*        A  11  -0.659   9.131   4.704
  117    H1*    A  11           H1*        A  11  -2.066   7.262   2.779
  118    H8     A  11           H8         A  11  -5.207   8.829   1.898
  119   1H6     A  11          H61         A  11  -3.703   8.316  -4.087
  120   2H6     A  11          H62         A  11  -4.997   8.642  -2.955
  121    H2     A  11           H2         A  11  -0.013   7.557  -1.656
  122   1H5*    G  12          1H5*        G  12   1.457  10.781   4.492
  123   2H5*    G  12          2H5*        G  12   2.068  12.428   4.242
  124    H4*    G  12           H4*        G  12   3.494  10.659   3.268
  125    H3*    G  12           H3*        G  12   2.425  12.883   1.583
  126    H2*    G  12           H2*        G  12   3.358  11.887  -0.404
  127   2HO*    G  12          2HO*        G  12   4.426   9.640   0.283
  128    H1*    G  12           H1*        G  12   2.487   9.323   0.086
  129    H8     G  12           H8         G  12   0.121  11.967   1.478
  130    H1     G  12           H1         G  12  -1.076  10.126  -4.549
  131   1H2     G  12          H21         G  12   1.925   8.421  -4.311
  132   2H2     G  12          H22         G  12   0.538   8.840  -5.291
  133   1H5*    G  13          1H5*        G  13   5.907  11.875  -0.089
  134   2H5*    G  13          2H5*        G  13   6.987  13.283  -0.131
  135    H4*    G  13           H4*        G  13   6.968  12.384  -2.304
  136    H3*    G  13           H3*        G  13   5.350  14.906  -2.104
  137    H2*    G  13           H2*        G  13   4.825  14.710  -4.451
  138   2HO*    G  13          2HO*        G  13   6.867  12.731  -4.361
  139    H1*    G  13           H1*        G  13   4.248  11.982  -4.364
  140    H8     G  13           H8         G  13   3.114  13.733  -1.212
  141    H1     G  13           H1         G  13  -1.125  13.815  -6.030
  142   1H2     G  13          H21         G  13   1.466  12.576  -7.943
  143   2H2     G  13          H22         G  13  -0.204  13.096  -7.874
  144   1H5*    C  14          1H5*        C  14   7.550  16.221  -5.527
  145   2H5*    C  14          2H5*        C  14   8.453  17.589  -4.847
  146    H4*    C  14           H4*        C  14   7.452  18.512  -6.702
  147    H3*    C  14           H3*        C  14   5.661  19.113  -4.350
  148    H2*    C  14           H2*        C  14   4.240  20.328  -5.879
  149   2HO*    C  14          2HO*        C  14   5.701  19.789  -8.161
  150    H1*    C  14           H1*        C  14   4.345  18.360  -7.885
  151   1H4     C  14          H41         C  14   0.017  16.224  -3.385
  152   2H4     C  14          H42         C  14  -0.907  17.251  -4.470
  153    H5     C  14           H5         C  14   2.409  15.965  -3.556
  154    H6     C  14           H6         C  14   4.408  16.643  -4.773
  155   1H5*    U  15          1H5*        U  15   5.352  23.067  -6.030
  156   2H5*    U  15          2H5*        U  15   5.637  24.011  -4.556
  157    H4*    U  15           H4*        U  15   3.446  24.428  -5.630
  158    H3*    U  15           H3*        U  15   3.555  23.505  -2.774
  159    H2*    U  15           H2*        U  15   1.144  23.577  -2.700
  160   2HO*    U  15          2HO*        U  15   0.398  24.158  -5.142
  161    H1*    U  15           H1*        U  15   0.772  22.237  -5.090
  162    H3     U  15           H3         U  15  -0.060  19.134  -1.875
  163    H5     U  15           H5         U  15   4.119  19.186  -2.281
  164    H6     U  15           H6         U  15   3.881  21.114  -3.702
  165   1H5*    U  16          1H5*        U  16   1.861  28.309  -0.902
  166   2H5*    U  16          2H5*        U  16   1.217  27.036   0.153
  167    H4*    U  16           H4*        U  16  -0.554  28.529  -0.353
  168    H3*    U  16           H3*        U  16  -1.048  25.971  -0.600
  169    H2*    U  16           H2*        U  16  -0.210  25.644  -2.848
  170   2HO*    U  16          2HO*        U  16  -2.045  24.957  -3.666
  171    H1*    U  16           H1*        U  16  -1.653  28.140  -3.839
  172    H3     U  16           H3         U  16   0.411  26.883  -7.691
  173    H5     U  16           H5         U  16   3.524  27.923  -5.069
  174    H6     U  16           H6         U  16   1.883  28.079  -3.310
  175   1H5*    C  17          1H5*        C  17  -4.308  25.230  -2.448
  176   2H5*    C  17          2H5*        C  17  -5.495  24.750  -1.219
  177    H4*    C  17           H4*        C  17  -4.753  23.003  -2.928
  178    H3*    C  17           H3*        C  17  -5.707  22.512  -0.422
  179    H2*    C  17           H2*        C  17  -3.533  22.469   0.666
  180   2HO*    C  17          2HO*        C  17  -4.004  20.471   1.297
  181    H1*    C  17           H1*        C  17  -2.554  20.895  -1.797
  182   1H4     C  17          H41         C  17   3.040  23.226   0.683
  183   2H4     C  17          H42         C  17   3.010  21.555   1.231
  184    H5     C  17           H5         C  17   1.163  24.313  -0.353
  185    H6     C  17           H6         C  17  -1.096  23.995  -1.209
  186   1H5*    G  18          1H5*        G  18  -7.087  23.031  -2.097
  187   2H5*    G  18          2H5*        G  18  -8.672  22.747  -1.353
  188    H4*    G  18           H4*        G  18  -9.669  23.484  -3.174
  189    H3*    G  18           H3*        G  18  -8.397  21.099  -4.414
  190    H2*    G  18           H2*        G  18  -8.161  22.088  -6.503
  191   2HO*    G  18          2HO*        G  18 -10.475  22.055  -6.698
  192    H1*    G  18           H1*        G  18  -8.974  24.825  -5.531
  193    H8     G  18           H8         G  18  -7.915  25.897  -7.620
  194    H1     G  18           H1         G  18  -2.304  23.058  -6.325
  195   1H2     G  18          H21         G  18  -4.076  21.311  -3.935
  196   2H2     G  18          H22         G  18  -2.539  21.600  -4.720
  197   1H5*    G  19          1H5*        G  19  -9.008  17.567  -5.279
  198   2H5*    G  19          2H5*        G  19  -8.215  19.100  -4.878
  199    H4*    G  19           H4*        G  19  -9.218  18.933  -7.620
  200    H3*    G  19           H3*        G  19  -7.472  16.748  -6.697
  201    H2*    G  19           H2*        G  19  -5.691  17.209  -8.205
  202   2HO*    G  19          2HO*        G  19  -7.752  18.558  -9.588
  203    H1*    G  19           H1*        G  19  -5.736  19.974  -8.171
  204    H8     G  19           H8         G  19  -6.489  18.393  -4.780
  205    H1     G  19           H1         G  19  -0.296  19.581  -5.916
  206   1H2     G  19          H21         G  19  -1.309  20.281  -9.133
  207   2H2     G  19          H22         G  19   0.018  20.143  -7.993
  208   1H5*    C  20          1H5*        C  20  -8.093  15.712 -10.897
  209   2H5*    C  20          2H5*        C  20  -8.493  13.986 -10.994
  210    H4*    C  20           H4*        C  20  -6.556  14.572 -12.361
  211    H3*    C  20           H3*        C  20  -6.247  12.579 -10.157
  212    H2*    C  20           H2*        C  20  -3.875  12.434 -10.553
  213   2HO*    C  20          2HO*        C  20  -3.031  12.980 -12.452
  214    H1*    C  20           H1*        C  20  -3.413  15.148 -10.731
  215   1H4     C  20          H41         C  20  -4.588  14.345  -4.314
  216   2H4     C  20          H42         C  20  -2.876  14.035  -4.500
  217    H5     C  20           H5         C  20  -6.068  14.696  -6.163
  218    H6     C  20           H6         C  20  -6.234  14.879  -8.572
  219   1H5*    C  21          1H5*        C  21  -3.561  11.137 -12.475
  220   2H5*    C  21          2H5*        C  21  -4.140   9.593 -13.132
  221    H4*    C  21           H4*        C  21  -1.970   9.188 -12.345
  222    H3*    C  21           H3*        C  21  -4.068   8.086 -10.504
  223    H2*    C  21           H2*        C  21  -2.369   7.353  -8.989
  224   2HO*    C  21          2HO*        C  21  -0.511   7.977 -11.072
  225    H1*    C  21           H1*        C  21  -0.657   9.587  -9.336
  226   1H4     C  21          H41         C  21  -5.033  11.325  -4.710
  227   2H4     C  21          H42         C  21  -3.771  10.462  -3.844
  228    H5     C  21           H5         C  21  -5.082  11.487  -7.131
  229    H6     C  21           H6         C  21  -3.939  10.843  -9.197
  230   1H5*    U  22          1H5*        U  22  -1.321   5.491 -10.460
  231   2H5*    U  22          2H5*        U  22  -1.829   3.795 -10.335
  232    H4*    U  22           H4*        U  22  -0.581   4.964  -8.366
  233    H3*    U  22           H3*        U  22  -2.786   2.960  -8.208
  234    H2*    U  22           H2*        U  22  -3.005   3.278  -5.838
  235   2HO*    U  22          2HO*        U  22  -1.471   4.755  -4.788
  236    H1*    U  22           H1*        U  22  -2.926   6.040  -5.856
  237    H3     U  22           H3         U  22  -7.223   4.375  -5.324
  238    H5     U  22           H5         U  22  -6.746   5.392  -9.371
  239    H6     U  22           H6         U  22  -4.390   5.643  -8.950
  240   1H5*    G  23          1H5*        G  23   1.165   2.360  -5.022
  241   2H5*    G  23          2H5*        G  23   0.798   0.656  -4.688
  242    H4*    G  23           H4*        G  23   1.146   2.370  -2.745
  243    H3*    G  23           H3*        G  23  -0.793   0.093  -2.841
  244    H2*    G  23           H2*        G  23  -1.774   0.807  -0.759
  245   2HO*    G  23          2HO*        G  23   0.554   1.606  -0.148
  246    H1*    G  23           H1*        G  23  -1.962   3.489  -1.418
  247    H8     G  23           H8         G  23  -2.394   1.458  -4.553
  248    H1     G  23           H1         G  23  -7.743   2.061  -1.066
  249   1H2     G  23          H21         G  23  -5.657   3.345   1.375
  250   2H2     G  23          H22         G  23  -7.284   2.907   0.901
  251   1H5*    C  24          1H5*        C  24   1.087  -1.765   1.603
  252   2H5*    C  24          2H5*        C  24  -0.140  -2.961   1.144
  253    H4*    C  24           H4*        C  24  -0.226  -1.201   3.291
  254    H3*    C  24           H3*        C  24  -2.278  -3.016   2.064
  255    H2*    C  24           H2*        C  24  -3.983  -1.956   3.403
  256   2HO*    C  24          2HO*        C  24  -3.468  -0.950   5.222
  257    H1*    C  24           H1*        C  24  -3.169   0.645   2.863
  258   1H4     C  24          H41         C  24  -6.037  -1.452  -2.703
  259   2H4     C  24          H42         C  24  -7.303  -0.667  -1.773
  260    H5     C  24           H5         C  24  -3.799  -1.790  -1.848
  261    H6     C  24           H6         C  24  -2.325  -1.460   0.068
  262   1H5*    U  25          1H5*        U  25  -3.772  -2.799   5.576
  263   2H5*    U  25          2H5*        U  25  -3.805  -4.409   6.320
  264    H4*    U  25           H4*        U  25  -5.982  -3.433   6.455
  265    H3*    U  25           H3*        U  25  -5.787  -5.751   4.546
  266    H2*    U  25           H2*        U  25  -8.164  -5.511   4.143
  267   2HO*    U  25          2HO*        U  25  -9.084  -3.530   5.364
  268    H1*    U  25           H1*        U  25  -8.057  -2.761   3.785
  269    H3     U  25           H3         U  25  -8.467  -4.414  -0.415
  270    H5     U  25           H5         U  25  -4.390  -4.820   0.501
  271    H6     U  25           H6         U  25  -4.910  -4.168   2.760
  272   1H5*    U  26          1H5*        U  26  -8.965  -7.360   7.054
  273   2H5*    U  26          2H5*        U  26  -8.605  -9.096   7.131
  274    H4*    U  26           H4*        U  26 -10.804  -8.566   6.133
  275    H3*    U  26           H3*        U  26  -8.805 -10.070   4.448
  276    H2*    U  26           H2*        U  26 -10.492 -10.211   2.740
  277   2HO*    U  26          2HO*        U  26 -12.421  -8.902   4.302
  278    H1*    U  26           H1*        U  26 -11.437  -7.562   3.129
  279    H3     U  26           H3         U  26  -9.589  -7.969  -1.051
  280    H5     U  26           H5         U  26  -6.438  -6.964   1.539
  281    H6     U  26           H6         U  26  -7.935  -7.347   3.384
  282   1H5*    U  27          1H5*        U  27 -12.513 -12.472   4.560
  283   2H5*    U  27          2H5*        U  27 -12.019 -14.172   4.444
  284    H4*    U  27           H4*        U  27 -13.639 -13.440   2.710
  285    H3*    U  27           H3*        U  27 -10.994 -14.606   1.874
  286    H2*    U  27           H2*        U  27 -11.699 -14.371  -0.428
  287   2HO*    U  27          2HO*        U  27 -14.204 -13.799   0.796
  288    H1*    U  27           H1*        U  27 -12.589 -11.754  -0.130
  289    H3     U  27           H3         U  27  -8.614 -11.421  -2.273
  290    H5     U  27           H5         U  27  -7.604 -11.895   1.775
  291    H6     U  27           H6         U  27  -9.917 -12.389   2.212
  292   1H5*    U  28          1H5*        U  28 -13.896 -17.696   0.146
  293   2H5*    U  28          2H5*        U  28 -12.998 -19.214   0.334
  294    H4*    U  28           H4*        U  28 -13.724 -18.750  -1.982
  295    H3*    U  28           H3*        U  28 -10.777 -19.070  -1.444
  296    H2*    U  28           H2*        U  28 -10.425 -18.851  -3.832
  297   2HO*    U  28          2HO*        U  28 -12.883 -18.250  -4.692
  298    H1*    U  28           H1*        U  28 -12.037 -16.596  -4.064
  299    H3     U  28           H3         U  28  -7.647 -15.275  -4.185
  300    H5     U  28           H5         U  28  -8.746 -15.292  -0.130
  301    H6     U  28           H6         U  28 -10.781 -16.408  -0.765
  302   1H5*    G  29          1H5*        G  29 -10.633 -22.758  -3.556
  303   2H5*    G  29          2H5*        G  29  -9.678 -23.806  -2.489
  304    H4*    G  29           H4*        G  29  -8.567 -23.259  -4.632
  305    H3*    G  29           H3*        G  29  -7.180 -22.470  -2.074
  306    H2*    G  29           H2*        G  29  -5.400 -21.571  -3.381
  307   2HO*    G  29          2HO*        G  29  -6.412 -22.636  -5.783
  308    H1*    G  29           H1*        G  29  -7.095 -20.778  -5.594
  309    H8     G  29           H8         G  29  -8.392 -19.258  -2.490
  310    H1     G  29           H1         G  29  -3.279 -16.180  -4.844
  311   1H2     G  29          H21         G  29  -2.890 -18.970  -6.848
  312   2H2     G  29          H22         G  29  -2.298 -17.391  -6.381
  313   1H5*    C  30          1H5*        C  30  -4.144 -24.611  -4.433
  314   2H5*    C  30          2H5*        C  30  -3.266 -25.574  -3.229
  315    H4*    C  30           H4*        C  30  -1.808 -24.128  -4.588
  316    H3*    C  30           H3*        C  30  -1.850 -23.763  -1.606
  317    H2*    C  30           H2*        C  30  -0.221 -22.003  -1.832
  318   2HO*    C  30          2HO*        C  30   0.820 -23.276  -3.661
  319    H1*    C  30           H1*        C  30  -1.454 -20.773  -4.024
  320   1H4     C  30          H41         C  30  -5.001 -18.959   1.237
  321   2H4     C  30          H42         C  30  -3.848 -17.665   0.955
  322    H5     C  30           H5         C  30  -4.989 -21.025  -0.021
  323    H6     C  30           H6         C  30  -3.876 -22.272  -1.797
  324   1H5*    U  31          1H5*        U  31   2.480 -23.816  -2.541
  325   2H5*    U  31          2H5*        U  31   3.026 -25.133  -1.485
  326    H4*    U  31           H4*        U  31   4.464 -23.246  -1.194
  327    H3*    U  31           H3*        U  31   2.699 -23.854   1.159
  328    H2*    U  31           H2*        U  31   3.668 -21.995   2.334
  329   2HO*    U  31          2HO*        U  31   5.797 -21.991   1.864
  330    H1*    U  31           H1*        U  31   3.610 -20.234   0.153
  331    H3     U  31           H3         U  31   0.353 -18.598   2.809
  332    H5     U  31           H5         U  31  -1.344 -22.036   1.092
  333    H6     U  31           H6         U  31   0.818 -22.547   0.165
  334    H3T    U  31           H3T        U  31   4.414 -25.212   0.524
  Start of MODEL   15
    1   1H5*    A   1          1H5*        A   1   0.703 -10.916   8.000
    2   2H5*    A   1          2H5*        A   1  -0.025 -10.171   6.565
    3    H4*    A   1           H4*        A   1   2.504 -10.402   6.631
    4    H3*    A   1           H3*        A   1   0.794 -11.137   4.291
    5    H2*    A   1           H2*        A   1   2.725 -11.989   3.113
    6   2HO*    A   1          2HO*        A   1   4.489 -10.858   3.568
    7    H1*    A   1           H1*        A   1   3.680 -13.511   5.196
    8    H8     A   1           H8         A   1  -0.092 -13.216   5.460
    9   1H6     A   1          H61         A   1  -0.372 -18.272   1.897
   10   2H6     A   1          H62         A   1  -1.291 -17.158   2.881
   11    H2     A   1           H2         A   1   3.895 -16.890   2.021
   12    H5T    A   1           H5T        A   1  -1.044 -12.149   7.292
   13   1H5*    G   2          1H5*        G   2   3.598  -8.753   2.246
   14   2H5*    G   2          2H5*        G   2   2.745  -7.798   1.018
   15    H4*    G   2           H4*        G   2   4.416  -9.403   0.117
   16    H3*    G   2           H3*        G   2   1.552  -9.563  -0.793
   17    H2*    G   2           H2*        G   2   2.165 -11.400  -2.224
   18   2HO*    G   2          2HO*        G   2   4.104 -11.246  -3.082
   19    H1*    G   2           H1*        G   2   3.819 -12.670  -0.333
   20    H8     G   2           H8         G   2   1.042 -11.659   1.781
   21    H1     G   2           H1         G   2  -0.599 -16.447  -2.156
   22   1H2     G   2          H21         G   2   2.317 -15.675  -3.850
   23   2H2     G   2          H22         G   2   0.898 -16.691  -3.738
   24   1H5*    U   3          1H5*        U   3   3.594  -8.557  -4.739
   25   2H5*    U   3          2H5*        U   3   2.467  -7.381  -5.443
   26    H4*    U   3           H4*        U   3   2.849  -9.161  -6.999
   27    H3*    U   3           H3*        U   3   0.071  -9.164  -5.827
   28    H2*    U   3           H2*        U   3  -0.417 -11.011  -7.328
   29   2HO*    U   3          2HO*        U   3   0.679 -10.707  -9.173
   30    H1*    U   3           H1*        U   3   1.876 -12.422  -6.640
   31    H3     U   3           H3         U   3  -1.468 -14.516  -4.397
   32    H5     U   3           H5         U   3  -0.578 -11.135  -2.072
   33    H6     U   3           H6         U   3   0.861 -10.386  -3.849
   34   1H5*    A   4          1H5*        A   4  -0.875  -8.266 -10.121
   35   2H5*    A   4          2H5*        A   4  -2.358  -7.292 -10.075
   36    H4*    A   4           H4*        A   4  -2.518  -9.448 -11.331
   37    H3*    A   4           H3*        A   4  -4.451  -8.922  -9.077
   38    H2*    A   4           H2*        A   4  -5.499 -11.043  -9.637
   39   2HO*    A   4          2HO*        A   4  -5.144 -12.007 -11.542
   40    H1*    A   4           H1*        A   4  -3.065 -12.416  -9.784
   41    H8     A   4           H8         A   4  -2.253 -10.151  -7.102
   42   1H6     A   4          H61         A   4  -5.789 -13.375  -3.200
   43   2H6     A   4          H62         A   4  -4.540 -12.158  -3.342
   44    H2     A   4           H2         A   4  -6.795 -14.678  -7.380
   45   1H5*    G   5          1H5*        G   5  -7.591  -8.468 -12.121
   46   2H5*    G   5          2H5*        G   5  -8.501  -7.053 -11.558
   47    H4*    G   5           H4*        G   5  -9.810  -9.150 -11.606
   48    H3*    G   5           H3*        G   5  -9.520  -7.694  -8.986
   49    H2*    G   5           H2*        G   5 -10.978  -9.367  -8.008
   50   2HO*    G   5          2HO*        G   5 -12.006  -9.522 -10.364
   51    H1*    G   5           H1*        G   5  -9.606 -11.521  -9.118
   52    H8     G   5           H8         G   5  -6.814  -9.267  -8.514
   53    H1     G   5           H1         G   5  -9.254 -11.586  -3.050
   54   1H2     G   5          H21         G   5 -11.937 -12.535  -4.995
   55   2H2     G   5          H22         G   5 -11.210 -12.474  -3.405
   56   1H5*    A   6          1H5*        A   6 -13.144  -8.735  -9.069
   57   2H5*    A   6          2H5*        A   6 -14.340  -7.438  -8.888
   58    H4*    A   6           H4*        A   6 -14.704  -9.335  -7.365
   59    H3*    A   6           H3*        A   6 -15.123  -6.750  -6.690
   60    H2*    A   6           H2*        A   6 -12.974  -6.367  -5.635
   61   2HO*    A   6          2HO*        A   6 -14.468  -5.992  -3.980
   62    H1*    A   6           H1*        A   6 -13.218  -9.181  -4.410
   63    H8     A   6           H8         A   6 -10.433  -7.698  -6.588
   64   1H6     A   6          H61         A   6  -6.905  -8.016  -1.509
   65   2H6     A   6          H62         A   6  -6.930  -7.674  -3.232
   66    H2     A   6           H2         A   6 -11.100  -9.115  -0.362
   67   1H5*    A   7          1H5*        A   7 -15.871  -8.576  -2.509
   68   2H5*    A   7          2H5*        A   7 -17.394  -7.822  -1.997
   69    H4*    A   7           H4*        A   7 -15.989  -7.384  -0.229
   70    H3*    A   7           H3*        A   7 -16.065  -4.980  -2.013
   71    H2*    A   7           H2*        A   7 -14.226  -4.013  -0.912
   72   2HO*    A   7          2HO*        A   7 -14.814  -5.541   1.413
   73    H1*    A   7           H1*        A   7 -13.404  -6.555   0.411
   74    H8     A   7           H8         A   7 -12.653  -5.938  -3.269
   75   1H6     A   7          H61         A   7  -7.034  -4.171  -1.355
   76   2H6     A   7          H62         A   7  -8.016  -4.540  -2.756
   77    H2     A   7           H2         A   7  -9.624  -4.720   2.253
   78   1H5*    A   8          1H5*        A   8 -17.902  -1.419   1.268
   79   2H5*    A   8          2H5*        A   8 -16.444  -0.810   0.462
   80    H4*    A   8           H4*        A   8 -16.937  -1.437   3.278
   81    H3*    A   8           H3*        A   8 -15.179   0.468   1.782
   82    H2*    A   8           H2*        A   8 -13.606   0.485   3.603
   83   2HO*    A   8          2HO*        A   8 -14.445   0.253   5.541
   84    H1*    A   8           H1*        A   8 -13.533  -2.251   3.971
   85    H8     A   8           H8         A   8 -14.133  -1.198   0.348
   86   1H6     A   8          H61         A   8  -7.993  -1.553  -0.348
   87   2H6     A   8          H62         A   8  -9.520  -1.320  -1.168
   88    H2     A   8           H2         A   8  -8.933  -2.119   4.001
   89   1H5*    C   9          1H5*        C   9 -15.299   2.879   5.952
   90   2H5*    C   9          2H5*        C   9 -15.035   4.404   5.083
   91    H4*    C   9           H4*        C   9 -13.276   3.544   6.789
   92    H3*    C   9           H3*        C   9 -12.718   4.856   4.156
   93    H2*    C   9           H2*        C   9 -10.365   4.468   4.435
   94   2HO*    C   9          2HO*        C   9 -11.172   4.103   7.101
   95    H1*    C   9           H1*        C   9 -10.584   1.847   5.368
   96   1H4     C   9          H41         C   9 -11.597   1.410  -1.139
   97   2H4     C   9          H42         C   9  -9.915   0.976  -0.871
   98    H5     C   9           H5         C   9 -13.057   2.199   0.632
   99    H6     C   9           H6         C   9 -13.197   2.723   3.007
  100   1H5*    A  10          1H5*        A  10  -9.989   6.284   6.979
  101   2H5*    A  10          2H5*        A  10  -9.469   7.944   6.630
  102    H4*    A  10           H4*        A  10  -7.735   6.032   6.602
  103    H3*    A  10           H3*        A  10  -7.912   8.260   4.604
  104    H2*    A  10           H2*        A  10  -6.141   7.274   3.325
  105   2HO*    A  10          2HO*        A  10  -4.610   6.402   4.519
  106    H1*    A  10           H1*        A  10  -7.000   4.612   3.595
  107    H8     A  10           H8         A  10 -10.188   6.214   2.970
  108   1H6     A  10          H61         A  10  -8.630   6.812  -2.992
  109   2H6     A  10          H62         A  10  -9.941   6.887  -1.835
  110    H2     A  10           H2         A  10  -4.930   5.758  -0.686
  111   1H5*    A  11          1H5*        A  11  -3.539   9.870   7.316
  112   2H5*    A  11          2H5*        A  11  -3.076  10.733   5.836
  113    H4*    A  11           H4*        A  11  -1.560   8.880   7.213
  114    H3*    A  11           H3*        A  11  -1.271  10.142   4.516
  115    H2*    A  11           H2*        A  11   0.369   8.512   3.877
  116   2HO*    A  11          2HO*        A  11   0.933   8.556   6.439
  117    H1*    A  11           H1*        A  11  -0.921   6.287   4.970
  118    H8     A  11           H8         A  11  -3.819   8.013   3.657
  119   1H6     A  11          H61         A  11  -2.200   6.242  -2.049
  120   2H6     A  11          H62         A  11  -3.479   6.916  -1.065
  121    H2     A  11           H2         A  11   1.291   5.527   0.671
  122   1H5*    G  12          1H5*        G  12   2.465   9.769   5.048
  123   2H5*    G  12          2H5*        G  12   3.276  11.339   5.207
  124    H4*    G  12           H4*        G  12   4.431  10.152   3.544
  125    H3*    G  12           H3*        G  12   2.733  12.362   2.462
  126    H2*    G  12           H2*        G  12   3.280  11.729   0.207
  127   2HO*    G  12          2HO*        G  12   4.957  10.383  -0.253
  128    H1*    G  12           H1*        G  12   2.908   9.021   0.529
  129    H8     G  12           H8         G  12   0.570  11.165   2.659
  130    H1     G  12           H1         G  12  -1.646   9.607  -3.158
  131   1H2     G  12          H21         G  12   1.525   8.329  -3.688
  132   2H2     G  12          H22         G  12  -0.080   8.618  -4.328
  133   1H5*    G  13          1H5*        G  13   6.067  11.888   0.040
  134   2H5*    G  13          2H5*        G  13   6.975  13.411   0.107
  135    H4*    G  13           H4*        G  13   6.900  12.795  -2.152
  136    H3*    G  13           H3*        G  13   5.068  15.064  -1.494
  137    H2*    G  13           H2*        G  13   4.198  15.068  -3.731
  138   2HO*    G  13          2HO*        G  13   5.297  14.193  -5.388
  139    H1*    G  13           H1*        G  13   3.896  12.333  -3.979
  140    H8     G  13           H8         G  13   3.256  13.607  -0.451
  141    H1     G  13           H1         G  13  -1.886  13.476  -4.281
  142   1H2     G  13          H21         G  13   0.377  12.739  -6.795
  143   2H2     G  13          H22         G  13  -1.289  13.028  -6.350
  144   1H5*    C  14          1H5*        C  14   7.589  15.928  -5.081
  145   2H5*    C  14          2H5*        C  14   7.804  17.681  -5.262
  146    H4*    C  14           H4*        C  14   6.879  16.530  -7.265
  147    H3*    C  14           H3*        C  14   5.371  18.796  -5.991
  148    H2*    C  14           H2*        C  14   3.670  18.557  -7.685
  149   2HO*    C  14          2HO*        C  14   5.623  17.656  -9.152
  150    H1*    C  14           H1*        C  14   3.426  15.820  -7.398
  151   1H4     C  14          H41         C  14   0.774  18.505  -1.979
  152   2H4     C  14          H42         C  14  -0.508  18.515  -3.178
  153    H5     C  14           H5         C  14   3.041  17.829  -2.490
  154    H6     C  14           H6         C  14   4.527  16.994  -4.237
  155   1H5*    U  15          1H5*        U  15   4.238  19.764  -9.501
  156   2H5*    U  15          2H5*        U  15   4.195  21.534  -9.589
  157    H4*    U  15           H4*        U  15   1.978  20.268  -9.590
  158    H3*    U  15           H3*        U  15   2.553  22.683  -7.922
  159    H2*    U  15           H2*        U  15   0.357  22.526  -6.929
  160   2HO*    U  15          2HO*        U  15  -1.158  21.045  -7.711
  161    H1*    U  15           H1*        U  15   0.521  19.833  -6.359
  162    H3     U  15           H3         U  15   1.431  22.214  -2.524
  163    H5     U  15           H5         U  15   5.114  21.413  -4.378
  164    H6     U  15           H6         U  15   3.897  20.697  -6.315
  165   1H5*    U  16          1H5*        U  16   0.282  25.790 -11.513
  166   2H5*    U  16          2H5*        U  16   0.293  26.913 -10.139
  167    H4*    U  16           H4*        U  16  -1.878  26.997 -10.958
  168    H3*    U  16           H3*        U  16  -1.644  26.230  -8.371
  169    H2*    U  16           H2*        U  16  -1.825  23.845  -8.784
  170   2HO*    U  16          2HO*        U  16  -4.476  23.807  -8.863
  171    H1*    U  16           H1*        U  16  -4.020  24.571 -10.825
  172    H3     U  16           H3         U  16  -4.899  20.177 -11.231
  173    H5     U  16           H5         U  16  -0.766  20.435 -11.927
  174    H6     U  16           H6         U  16  -0.888  22.766 -11.352
  175   1H5*    C  17          1H5*        C  17  -5.157  24.913  -7.415
  176   2H5*    C  17          2H5*        C  17  -6.035  26.296  -6.732
  177    H4*    C  17           H4*        C  17  -6.145  24.298  -5.314
  178    H3*    C  17           H3*        C  17  -6.093  26.664  -4.247
  179    H2*    C  17           H2*        C  17  -3.661  27.008  -4.387
  180   2HO*    C  17          2HO*        C  17  -4.006  25.699  -1.873
  181    H1*    C  17           H1*        C  17  -3.275  24.242  -3.140
  182   1H4     C  17          H41         C  17   2.193  25.451  -6.626
  183   2H4     C  17          H42         C  17   2.640  25.760  -4.958
  184    H5     C  17           H5         C  17  -0.085  24.976  -7.303
  185    H6     C  17           H6         C  17  -2.379  24.688  -6.524
  186   1H5*    G  18          1H5*        G  18  -8.132  25.439  -5.010
  187   2H5*    G  18          2H5*        G  18  -9.800  25.582  -4.424
  188    H4*    G  18           H4*        G  18 -10.406  23.665  -5.357
  189    H3*    G  18           H3*        G  18  -7.894  22.367  -4.296
  190    H2*    G  18           H2*        G  18  -8.415  20.538  -5.797
  191   2HO*    G  18          2HO*        G  18 -10.398  20.310  -6.564
  192    H1*    G  18           H1*        G  18  -8.635  22.237  -7.969
  193    H8     G  18           H8         G  18  -6.428  22.489  -9.066
  194    H1     G  18           H1         G  18  -3.286  21.418  -3.586
  195   1H2     G  18          H21         G  18  -6.422  21.577  -2.097
  196   2H2     G  18          H22         G  18  -4.701  21.357  -1.890
  197   1H5*    G  19          1H5*        G  19  -9.912  17.339  -3.418
  198   2H5*    G  19          2H5*        G  19  -8.418  18.086  -2.828
  199    H4*    G  19           H4*        G  19  -9.600  18.735  -5.511
  200    H3*    G  19           H3*        G  19  -7.907  16.357  -4.876
  201    H2*    G  19           H2*        G  19  -6.498  16.813  -6.778
  202   2HO*    G  19          2HO*        G  19  -8.432  17.522  -8.053
  203    H1*    G  19           H1*        G  19  -6.270  19.554  -6.337
  204    H8     G  19           H8         G  19  -6.357  18.521  -2.895
  205    H1     G  19           H1         G  19  -0.833  16.789  -5.660
  206   1H2     G  19          H21         G  19  -2.450  17.422  -8.626
  207   2H2     G  19          H22         G  19  -0.993  16.856  -7.825
  208   1H5*    C  20          1H5*        C  20  -8.914  15.470  -8.815
  209   2H5*    C  20          2H5*        C  20  -9.292  13.745  -8.991
  210    H4*    C  20           H4*        C  20  -7.397  14.332 -10.354
  211    H3*    C  20           H3*        C  20  -6.950  12.419  -8.108
  212    H2*    C  20           H2*        C  20  -4.582  12.408  -8.492
  213   2HO*    C  20          2HO*        C  20  -5.158  13.921 -10.846
  214    H1*    C  20           H1*        C  20  -4.268  15.126  -8.882
  215   1H4     C  20          H41         C  20  -5.011  14.541  -2.368
  216   2H4     C  20          H42         C  20  -3.294  14.722  -2.641
  217    H5     C  20           H5         C  20  -6.618  14.360  -4.127
  218    H6     C  20           H6         C  20  -6.961  14.343  -6.517
  219   1H5*    C  21          1H5*        C  21  -4.232  11.482 -10.936
  220   2H5*    C  21          2H5*        C  21  -4.658   9.892 -11.600
  221    H4*    C  21           H4*        C  21  -2.353   9.814 -11.268
  222    H3*    C  21           H3*        C  21  -3.850   8.317  -9.159
  223    H2*    C  21           H2*        C  21  -1.818   7.867  -7.960
  224   2HO*    C  21          2HO*        C  21  -0.199   7.474  -9.304
  225    H1*    C  21           H1*        C  21  -0.735  10.418  -8.176
  226   1H4     C  21          H41         C  21  -5.544  10.957  -3.667
  227   2H4     C  21          H42         C  21  -4.050  10.732  -2.772
  228    H5     C  21           H5         C  21  -5.649  10.844  -6.094
  229    H6     C  21           H6         C  21  -4.327  10.498  -8.134
  230   1H5*    U  22          1H5*        U  22  -1.326   5.725  -8.648
  231   2H5*    U  22          2H5*        U  22  -2.148   4.157  -8.769
  232    H4*    U  22           H4*        U  22  -1.278   5.100  -6.472
  233    H3*    U  22           H3*        U  22  -3.703   3.438  -7.015
  234    H2*    U  22           H2*        U  22  -4.500   3.710  -4.786
  235   2HO*    U  22          2HO*        U  22  -3.190   4.296  -3.135
  236    H1*    U  22           H1*        U  22  -3.866   6.416  -4.517
  237    H3     U  22           H3         U  22  -8.422   5.819  -4.801
  238    H5     U  22           H5         U  22  -7.038   6.487  -8.710
  239    H6     U  22           H6         U  22  -4.794   6.237  -7.876
  240   1H5*    G  23          1H5*        G  23  -0.498  -0.151  -4.284
  241   2H5*    G  23          2H5*        G  23  -1.860   0.941  -4.595
  242    H4*    G  23           H4*        G  23   0.261   1.632  -2.590
  243    H3*    G  23           H3*        G  23  -1.966  -0.326  -2.157
  244    H2*    G  23           H2*        G  23  -2.439   0.675  -0.019
  245   2HO*    G  23          2HO*        G  23  -0.958   2.610   0.473
  246    H1*    G  23           H1*        G  23  -2.317   3.309  -0.905
  247    H8     G  23           H8         G  23  -3.779   1.759  -3.844
  248    H1     G  23           H1         G  23  -7.954   1.987   1.015
  249   1H2     G  23          H21         G  23  -5.195   2.675   2.980
  250   2H2     G  23          H22         G  23  -6.927   2.427   2.896
  251   1H5*    C  24          1H5*        C  24  -1.558  -3.595   0.907
  252   2H5*    C  24          2H5*        C  24  -3.114  -2.745   0.967
  253    H4*    C  24           H4*        C  24  -0.471  -1.427   1.558
  254    H3*    C  24           H3*        C  24  -2.285  -2.876   3.470
  255    H2*    C  24           H2*        C  24  -1.879  -1.152   5.092
  256   2HO*    C  24          2HO*        C  24  -0.191   0.389   3.551
  257    H1*    C  24           H1*        C  24  -2.039   0.979   3.255
  258   1H4     C  24          H41         C  24  -8.298  -0.467   4.673
  259   2H4     C  24          H42         C  24  -7.777   0.607   5.962
  260    H5     C  24           H5         C  24  -6.785  -1.335   2.998
  261    H6     C  24           H6         C  24  -4.476  -1.350   2.212
  262   1H5*    U  25          1H5*        U  25  -1.392  -3.673   6.109
  263   2H5*    U  25          2H5*        U  25  -1.315  -5.431   6.330
  264    H4*    U  25           H4*        U  25  -3.304  -4.452   7.348
  265    H3*    U  25           H3*        U  25  -3.678  -6.457   5.147
  266    H2*    U  25           H2*        U  25  -6.074  -6.203   5.366
  267   2HO*    U  25          2HO*        U  25  -6.483  -5.936   7.489
  268    H1*    U  25           H1*        U  25  -6.045  -3.442   5.370
  269    H3     U  25           H3         U  25  -7.255  -4.174   1.108
  270    H5     U  25           H5         U  25  -3.200  -5.263   1.184
  271    H6     U  25           H6         U  25  -3.236  -4.929   3.568
  272   1H5*    U  26          1H5*        U  26  -6.293  -7.994   7.902
  273   2H5*    U  26          2H5*        U  26  -6.035  -9.742   8.058
  274    H4*    U  26           H4*        U  26  -8.305  -9.355   7.444
  275    H3*    U  26           H3*        U  26  -6.662 -10.533   5.208
  276    H2*    U  26           H2*        U  26  -8.678 -10.603   3.888
  277   2HO*    U  26          2HO*        U  26 -10.454  -9.497   5.589
  278    H1*    U  26           H1*        U  26  -9.570  -8.050   4.692
  279    H3     U  26           H3         U  26  -8.467  -7.740   0.287
  280    H5     U  26           H5         U  26  -4.838  -7.364   2.369
  281    H6     U  26           H6         U  26  -6.016  -7.969   4.376
  282   1H5*    U  27          1H5*        U  27 -10.196 -12.967   5.657
  283   2H5*    U  27          2H5*        U  27  -9.735 -14.658   5.382
  284    H4*    U  27           H4*        U  27 -11.604 -13.844   3.961
  285    H3*    U  27           H3*        U  27  -9.127 -14.955   2.663
  286    H2*    U  27           H2*        U  27 -10.197 -14.619   0.517
  287   2HO*    U  27          2HO*        U  27 -12.319 -14.759   0.500
  288    H1*    U  27           H1*        U  27 -11.006 -12.022   1.081
  289    H3     U  27           H3         U  27  -7.387 -11.768  -1.690
  290    H5     U  27           H5         U  27  -5.813 -12.032   2.191
  291    H6     U  27           H6         U  27  -8.029 -12.543   2.973
  292   1H5*    U  28          1H5*        U  28 -12.401 -17.726   1.110
  293   2H5*    U  28          2H5*        U  28 -11.566 -19.287   0.986
  294    H4*    U  28           H4*        U  28 -12.639 -18.556  -1.113
  295    H3*    U  28           H3*        U  28  -9.664 -19.022  -1.112
  296    H2*    U  28           H2*        U  28  -9.675 -18.528  -3.480
  297   2HO*    U  28          2HO*        U  28 -11.536 -18.460  -4.637
  298    H1*    U  28           H1*        U  28 -11.248 -16.241  -3.219
  299    H3     U  28           H3         U  28  -7.004 -14.789  -3.965
  300    H5     U  28           H5         U  28  -7.187 -15.584   0.156
  301    H6     U  28           H6         U  28  -9.339 -16.597  -0.214
  302   1H5*    G  29          1H5*        G  29 -10.004 -22.154  -3.708
  303   2H5*    G  29          2H5*        G  29  -9.167 -23.540  -2.984
  304    H4*    G  29           H4*        G  29  -8.025 -22.901  -4.982
  305    H3*    G  29           H3*        G  29  -6.507 -22.297  -2.458
  306    H2*    G  29           H2*        G  29  -4.797 -21.262  -3.727
  307   2HO*    G  29          2HO*        G  29  -5.851 -22.698  -5.961
  308    H1*    G  29           H1*        G  29  -6.524 -20.521  -5.964
  309    H8     G  29           H8         G  29  -7.394 -18.997  -2.633
  310    H1     G  29           H1         G  29  -2.976 -15.752  -5.963
  311   1H2     G  29          H21         G  29  -2.932 -18.515  -8.038
  312   2H2     G  29          H22         G  29  -2.308 -16.917  -7.691
  313   1H5*    C  30          1H5*        C  30  -3.852 -24.106  -5.461
  314   2H5*    C  30          2H5*        C  30  -2.769 -25.182  -4.557
  315    H4*    C  30           H4*        C  30  -1.566 -23.600  -5.994
  316    H3*    C  30           H3*        C  30  -1.083 -23.466  -3.028
  317    H2*    C  30           H2*        C  30   0.497 -21.695  -3.414
  318   2HO*    C  30          2HO*        C  30   0.155 -21.867  -6.210
  319    H1*    C  30           H1*        C  30  -1.060 -20.369  -5.360
  320   1H4     C  30          H41         C  30  -3.461 -18.502   0.495
  321   2H4     C  30          H42         C  30  -2.445 -17.188  -0.067
  322    H5     C  30           H5         C  30  -3.653 -20.606  -0.675
  323    H6     C  30           H6         C  30  -2.923 -21.879  -2.620
  324   1H5*    U  31          1H5*        U  31   2.954 -24.020  -4.710
  325   2H5*    U  31          2H5*        U  31   3.761 -25.167  -3.622
  326    H4*    U  31           H4*        U  31   5.066 -23.142  -3.899
  327    H3*    U  31           H3*        U  31   3.997 -23.716  -1.154
  328    H2*    U  31           H2*        U  31   5.023 -21.695  -0.350
  329   2HO*    U  31          2HO*        U  31   6.143 -21.344  -2.950
  330    H1*    U  31           H1*        U  31   4.231 -20.107  -2.511
  331    H3     U  31           H3         U  31   1.464 -18.629   0.714
  332    H5     U  31           H5         U  31  -0.054 -22.423  -0.255
  333    H6     U  31           H6         U  31   1.870 -22.749  -1.664
  334    H3T    U  31           H3T        U  31   6.605 -23.647  -2.190
  Start of MODEL   16
    1   1H5*    A   1          1H5*        A   1  -2.782 -11.591   9.501
    2   2H5*    A   1          2H5*        A   1  -3.131 -10.954   7.884
    3    H4*    A   1           H4*        A   1  -0.697 -11.149   8.582
    4    H3*    A   1           H3*        A   1  -1.794 -12.041   5.953
    5    H2*    A   1           H2*        A   1   0.327 -13.002   5.330
    6   2HO*    A   1          2HO*        A   1   1.985 -11.879   6.084
    7    H1*    A   1           H1*        A   1   0.764 -14.345   7.693
    8    H8     A   1           H8         A   1  -2.844 -14.603   7.730
    9   1H6     A   1          H61         A   1  -2.536 -18.916   3.300
   10   2H6     A   1          H62         A   1  -3.560 -18.162   4.501
   11    H2     A   1           H2         A   1   1.460 -16.895   3.555
   12    H5T    A   1           H5T        A   1  -3.659 -13.406   8.948
   13   1H5*    G   2          1H5*        G   2   1.542  -9.794   4.675
   14   2H5*    G   2          2H5*        G   2   1.076  -8.720   3.342
   15    H4*    G   2           H4*        G   2   2.929 -10.283   2.813
   16    H3*    G   2           H3*        G   2   0.440 -10.267   1.132
   17    H2*    G   2           H2*        G   2   1.374 -12.025  -0.225
   18   2HO*    G   2          2HO*        G   2   3.566 -12.686   0.138
   19    H1*    G   2           H1*        G   2   2.365 -13.533   1.921
   20    H8     G   2           H8         G   2  -0.750 -12.515   3.412
   21    H1     G   2           H1         G   2  -1.721 -16.684  -1.365
   22   1H2     G   2          H21         G   2   1.543 -15.961  -2.264
   23   2H2     G   2          H22         G   2   0.083 -16.863  -2.601
   24   1H5*    U   3          1H5*        U   3   3.572  -9.084  -1.964
   25   2H5*    U   3          2H5*        U   3   2.733  -7.809  -2.868
   26    H4*    U   3           H4*        U   3   3.527  -9.506  -4.373
   27    H3*    U   3           H3*        U   3   0.528  -9.382  -4.109
   28    H2*    U   3           H2*        U   3   0.424 -11.100  -5.819
   29   2HO*    U   3          2HO*        U   3   2.684 -10.059  -6.604
   30    H1*    U   3           H1*        U   3   2.362 -12.699  -4.617
   31    H3     U   3           H3         U   3  -1.560 -14.776  -3.689
   32    H5     U   3           H5         U   3  -1.329 -11.641  -0.904
   33    H6     U   3           H6         U   3   0.604 -10.833  -2.089
   34   1H5*    A   4          1H5*        A   4   1.006  -8.037  -8.453
   35   2H5*    A   4          2H5*        A   4  -0.344  -6.906  -8.669
   36    H4*    A   4           H4*        A   4  -0.316  -8.824 -10.251
   37    H3*    A   4           H3*        A   4  -2.737  -8.329  -8.541
   38    H2*    A   4           H2*        A   4  -3.792 -10.252  -9.591
   39   2HO*    A   4          2HO*        A   4  -2.003  -9.695 -11.522
   40    H1*    A   4           H1*        A   4  -1.633 -11.926  -9.191
   41    H8     A   4           H8         A   4  -1.205  -9.809  -6.268
   42   1H6     A   4          H61         A   4  -5.937 -12.696  -3.528
   43   2H6     A   4          H62         A   4  -4.569 -11.632  -3.287
   44    H2     A   4           H2         A   4  -6.007 -13.747  -7.890
   45   1H5*    G   5          1H5*        G   5  -4.940  -7.287 -12.179
   46   2H5*    G   5          2H5*        G   5  -5.806  -5.808 -11.723
   47    H4*    G   5           H4*        G   5  -7.267  -7.734 -12.270
   48    H3*    G   5           H3*        G   5  -7.501  -6.432  -9.567
   49    H2*    G   5           H2*        G   5  -9.298  -7.972  -9.063
   50   2HO*    G   5          2HO*        G   5 -10.248  -9.196 -10.635
   51    H1*    G   5           H1*        G   5  -7.945 -10.225  -9.995
   52    H8     G   5           H8         G   5  -5.129  -8.448  -8.580
   53    H1     G   5           H1         G   5  -9.119 -10.551  -4.015
   54   1H2     G   5          H21         G   5 -11.374 -10.973  -6.592
   55   2H2     G   5          H22         G   5 -11.047 -11.078  -4.876
   56   1H5*    A   6          1H5*        A   6 -11.164  -7.272 -10.534
   57   2H5*    A   6          2H5*        A   6 -12.174  -5.815 -10.607
   58    H4*    A   6           H4*        A   6 -13.156  -7.676  -9.304
   59    H3*    A   6           H3*        A   6 -13.440  -5.054  -8.701
   60    H2*    A   6           H2*        A   6 -11.656  -4.900  -7.078
   61   2HO*    A   6          2HO*        A   6 -13.803  -4.596  -6.033
   62    H1*    A   6           H1*        A   6 -12.468  -7.675  -6.036
   63    H8     A   6           H8         A   6  -9.120  -6.432  -7.441
   64   1H6     A   6          H61         A   6  -6.975  -7.022  -1.664
   65   2H6     A   6          H62         A   6  -6.555  -6.674  -3.331
   66    H2     A   6           H2         A   6 -11.383  -7.859  -1.605
   67   1H5*    A   7          1H5*        A   7 -15.758  -6.909  -5.046
   68   2H5*    A   7          2H5*        A   7 -17.169  -5.846  -4.883
   69    H4*    A   7           H4*        A   7 -16.222  -5.912  -2.758
   70    H3*    A   7           H3*        A   7 -15.411  -3.358  -4.127
   71    H2*    A   7           H2*        A   7 -14.006  -2.828  -2.301
   72   2HO*    A   7          2HO*        A   7 -16.106  -3.934  -0.980
   73    H1*    A   7           H1*        A   7 -13.742  -5.632  -1.409
   74    H8     A   7           H8         A   7 -12.166  -4.478  -4.687
   75   1H6     A   7          H61         A   7  -6.945  -3.867  -1.417
   76   2H6     A   7          H62         A   7  -7.647  -3.842  -3.020
   77    H2     A   7           H2         A   7 -10.293  -4.707   1.446
   78   1H5*    A   8          1H5*        A   8 -17.912  -0.141  -0.707
   79   2H5*    A   8          2H5*        A   8 -16.394   0.575  -1.281
   80    H4*    A   8           H4*        A   8 -17.120  -0.494   1.351
   81    H3*    A   8           H3*        A   8 -15.242   1.621   0.352
   82    H2*    A   8           H2*        A   8 -13.879   1.337   2.313
   83   2HO*    A   8          2HO*        A   8 -14.619  -0.057   4.014
   84    H1*    A   8           H1*        A   8 -13.924  -1.447   2.314
   85    H8     A   8           H8         A   8 -13.802   0.129  -1.166
   86   1H6     A   8          H61         A   8  -7.651  -0.409  -0.692
   87   2H6     A   8          H62         A   8  -8.977   0.001  -1.757
   88    H2     A   8           H2         A   8  -9.454  -1.504   3.265
   89   1H5*    C   9          1H5*        C   9 -16.050   3.221   5.147
   90   2H5*    C   9          2H5*        C   9 -15.610   4.811   4.494
   91    H4*    C   9           H4*        C   9 -14.191   3.561   6.370
   92    H3*    C   9           H3*        C   9 -13.315   5.516   4.290
   93    H2*    C   9           H2*        C   9 -11.001   5.089   4.764
   94   2HO*    C   9          2HO*        C   9 -12.091   3.817   7.062
   95    H1*    C   9           H1*        C   9 -11.189   2.321   4.918
   96   1H4     C   9          H41         C   9 -11.596   3.598  -1.545
   97   2H4     C   9          H42         C   9  -9.925   3.157  -1.225
   98    H5     C   9           H5         C   9 -13.247   3.855   0.219
   99    H6     C   9           H6         C   9 -13.625   3.721   2.621
  100   1H5*    A  10          1H5*        A  10  -9.943   8.370   7.187
  101   2H5*    A  10          2H5*        A  10 -10.230   8.435   5.436
  102    H4*    A  10           H4*        A  10  -8.310   6.753   6.995
  103    H3*    A  10           H3*        A  10  -8.044   8.700   4.734
  104    H2*    A  10           H2*        A  10  -6.285   7.383   3.771
  105   2HO*    A  10          2HO*        A  10  -6.298   5.444   5.772
  106    H1*    A  10           H1*        A  10  -7.478   4.889   4.203
  107    H8     A  10           H8         A  10 -10.428   6.725   3.198
  108   1H6     A  10          H61         A  10  -8.416   6.616  -2.656
  109   2H6     A  10          H62         A  10  -9.787   6.928  -1.615
  110    H2     A  10           H2         A  10  -5.010   5.425   0.007
  111   1H5*    A  11          1H5*        A  11  -3.388  11.289   6.025
  112   2H5*    A  11          2H5*        A  11  -3.751  10.537   4.459
  113    H4*    A  11           H4*        A  11  -1.775   9.705   6.554
  114    H3*    A  11           H3*        A  11  -1.552  10.542   3.690
  115    H2*    A  11           H2*        A  11   0.172   8.920   3.302
  116   2HO*    A  11          2HO*        A  11   1.154   7.831   5.037
  117    H1*    A  11           H1*        A  11  -1.015   6.828   4.718
  118    H8     A  11           H8         A  11  -4.007   8.173   3.205
  119   1H6     A  11          H61         A  11  -2.291   5.730  -2.218
  120   2H6     A  11          H62         A  11  -3.609   6.451  -1.322
  121    H2     A  11           H2         A  11   1.245   5.623   0.535
  122   1H5*    G  12          1H5*        G  12   2.478  10.505   4.533
  123   2H5*    G  12          2H5*        G  12   3.013  12.191   4.395
  124    H4*    G  12           H4*        G  12   4.477  10.739   3.151
  125    H3*    G  12           H3*        G  12   2.860  12.701   1.566
  126    H2*    G  12           H2*        G  12   3.793  11.823  -0.477
  127   2HO*    G  12          2HO*        G  12   5.309   9.845   0.103
  128    H1*    G  12           H1*        G  12   3.456   9.155   0.170
  129    H8     G  12           H8         G  12   0.733  11.427   1.574
  130    H1     G  12           H1         G  12  -0.437   9.019  -4.256
  131   1H2     G  12          H21         G  12   2.824   7.872  -4.111
  132   2H2     G  12          H22         G  12   1.336   7.981  -5.024
  133   1H5*    G  13          1H5*        G  13   6.631  12.457  -0.257
  134   2H5*    G  13          2H5*        G  13   7.249  14.113  -0.409
  135    H4*    G  13           H4*        G  13   7.443  13.030  -2.522
  136    H3*    G  13           H3*        G  13   5.319  15.155  -2.432
  137    H2*    G  13           H2*        G  13   4.852  14.714  -4.755
  138   2HO*    G  13          2HO*        G  13   7.141  14.397  -5.287
  139    H1*    G  13           H1*        G  13   4.913  11.927  -4.505
  140    H8     G  13           H8         G  13   3.333  13.505  -1.471
  141    H1     G  13           H1         G  13  -0.675  12.520  -6.387
  142   1H2     G  13          H21         G  13   2.183  11.820  -8.193
  143   2H2     G  13          H22         G  13   0.439  11.964  -8.181
  144   1H5*    C  14          1H5*        C  14   7.634  16.854  -5.964
  145   2H5*    C  14          2H5*        C  14   7.942  18.454  -5.261
  146    H4*    C  14           H4*        C  14   7.012  18.813  -7.394
  147    H3*    C  14           H3*        C  14   4.983  19.332  -5.225
  148    H2*    C  14           H2*        C  14   3.446  20.002  -6.960
  149   2HO*    C  14          2HO*        C  14   4.910  21.128  -8.298
  150    H1*    C  14           H1*        C  14   4.087  17.860  -8.667
  151   1H4     C  14          H41         C  14  -0.003  15.403  -4.118
  152   2H4     C  14          H42         C  14  -1.053  16.181  -5.292
  153    H5     C  14           H5         C  14   2.402  15.527  -4.232
  154    H6     C  14           H6         C  14   4.297  16.466  -5.444
  155   1H5*    U  15          1H5*        U  15   4.195  23.253  -7.047
  156   2H5*    U  15          2H5*        U  15   4.278  24.207  -5.554
  157    H4*    U  15           H4*        U  15   2.104  24.316  -6.764
  158    H3*    U  15           H3*        U  15   2.223  23.502  -3.879
  159    H2*    U  15           H2*        U  15  -0.175  23.212  -3.886
  160   2HO*    U  15          2HO*        U  15  -0.467  25.059  -5.397
  161    H1*    U  15           H1*        U  15  -0.254  21.738  -6.216
  162    H3     U  15           H3         U  15  -0.628  18.737  -2.798
  163    H5     U  15           H5         U  15   3.496  19.315  -3.333
  164    H6     U  15           H6         U  15   2.971  21.122  -4.833
  165   1H5*    U  16          1H5*        U  16  -0.108  28.079  -2.165
  166   2H5*    U  16          2H5*        U  16  -0.593  26.765  -1.076
  167    H4*    U  16           H4*        U  16  -2.545  27.978  -1.619
  168    H3*    U  16           H3*        U  16  -2.692  25.383  -1.861
  169    H2*    U  16           H2*        U  16  -1.753  25.151  -4.078
  170   2HO*    U  16          2HO*        U  16  -3.444  24.489  -5.288
  171    H1*    U  16           H1*        U  16  -3.482  27.416  -5.157
  172    H3     U  16           H3         U  16  -1.049  26.344  -8.865
  173    H5     U  16           H5         U  16   1.685  28.067  -6.181
  174    H6     U  16           H6         U  16  -0.036  27.977  -4.496
  175   1H5*    C  17          1H5*        C  17  -5.798  24.153  -3.744
  176   2H5*    C  17          2H5*        C  17  -6.916  23.543  -2.510
  177    H4*    C  17           H4*        C  17  -5.890  21.883  -4.177
  178    H3*    C  17           H3*        C  17  -6.849  21.314  -1.684
  179    H2*    C  17           H2*        C  17  -4.725  21.595  -0.536
  180   2HO*    C  17          2HO*        C  17  -3.782  19.334  -0.568
  181    H1*    C  17           H1*        C  17  -3.458  20.127  -2.934
  182   1H4     C  17          H41         C  17   1.688  23.275  -0.414
  183   2H4     C  17          H42         C  17   1.869  21.642   0.212
  184    H5     C  17           H5         C  17  -0.286  24.052  -1.539
  185    H6     C  17           H6         C  17  -2.458  23.399  -2.425
  186   1H5*    G  18          1H5*        G  18  -8.237  21.338  -3.419
  187   2H5*    G  18          2H5*        G  18  -9.787  20.957  -2.646
  188    H4*    G  18           H4*        G  18 -10.853  21.216  -4.558
  189    H3*    G  18           H3*        G  18  -9.111  18.992  -5.477
  190    H2*    G  18           H2*        G  18  -8.965  19.767  -7.664
  191   2HO*    G  18          2HO*        G  18 -11.635  19.774  -7.215
  192    H1*    G  18           H1*        G  18 -10.324  22.387  -7.047
  193    H8     G  18           H8         G  18  -9.405  23.395  -9.229
  194    H1     G  18           H1         G  18  -3.411  21.898  -7.484
  195   1H2     G  18          H21         G  18  -4.914  20.116  -4.937
  196   2H2     G  18          H22         G  18  -3.428  20.613  -5.717
  197   1H5*    G  19          1H5*        G  19  -9.035  15.359  -6.141
  198   2H5*    G  19          2H5*        G  19  -8.551  17.035  -5.826
  199    H4*    G  19           H4*        G  19  -9.417  16.565  -8.568
  200    H3*    G  19           H3*        G  19  -7.387  14.706  -7.508
  201    H2*    G  19           H2*        G  19  -5.671  15.354  -9.028
  202   2HO*    G  19          2HO*        G  19  -6.317  16.824 -10.820
  203    H1*    G  19           H1*        G  19  -6.127  18.087  -9.107
  204    H8     G  19           H8         G  19  -6.696  16.537  -5.670
  205    H1     G  19           H1         G  19  -0.732  18.608  -6.767
  206   1H2     G  19          H21         G  19  -1.781  19.055 -10.016
  207   2H2     G  19          H22         G  19  -0.475  19.161  -8.848
  208   1H5*    C  20          1H5*        C  20  -7.644  13.161 -11.713
  209   2H5*    C  20          2H5*        C  20  -7.887  11.419 -11.476
  210    H4*    C  20           H4*        C  20  -5.955  11.963 -12.907
  211    H3*    C  20           H3*        C  20  -5.593  10.345 -10.418
  212    H2*    C  20           H2*        C  20  -3.205  10.297 -10.758
  213   2HO*    C  20          2HO*        C  20  -3.936  11.323 -13.304
  214    H1*    C  20           H1*        C  20  -2.922  12.986 -11.289
  215   1H4     C  20          H41         C  20  -4.279  12.885  -4.849
  216   2H4     C  20          H42         C  20  -2.540  12.728  -4.948
  217    H5     C  20           H5         C  20  -5.713  12.862  -6.764
  218    H6     C  20           H6         C  20  -5.808  12.734  -9.178
  219   1H5*    C  21          1H5*        C  21  -2.756   8.789 -12.520
  220   2H5*    C  21          2H5*        C  21  -3.172   7.104 -12.890
  221    H4*    C  21           H4*        C  21  -0.961   7.117 -12.057
  222    H3*    C  21           H3*        C  21  -2.941   6.028 -10.074
  223    H2*    C  21           H2*        C  21  -1.148   5.683  -8.518
  224   2HO*    C  21          2HO*        C  21   1.063   6.079  -9.296
  225    H1*    C  21           H1*        C  21   0.213   8.091  -9.118
  226   1H4     C  21          H41         C  21  -4.437   9.774  -4.771
  227   2H4     C  21          H42         C  21  -3.100   9.184  -3.797
  228    H5     C  21           H5         C  21  -4.461   9.634  -7.189
  229    H6     C  21           H6         C  21  -3.204   8.919  -9.158
  230   1H5*    U  22          1H5*        U  22  -1.075   0.916  -9.730
  231   2H5*    U  22          2H5*        U  22  -1.984   1.797  -8.487
  232    H4*    U  22           H4*        U  22   0.902   1.141  -8.653
  233    H3*    U  22           H3*        U  22  -1.174   1.120  -6.496
  234    H2*    U  22           H2*        U  22   0.494   1.632  -4.844
  235   2HO*    U  22          2HO*        U  22   2.663   1.805  -6.515
  236    H1*    U  22           H1*        U  22   1.816   3.587  -6.327
  237    H3     U  22           H3         U  22  -0.512   5.792  -3.086
  238    H5     U  22           H5         U  22  -3.253   5.178  -6.209
  239    H6     U  22           H6         U  22  -1.619   3.759  -7.262
  240   1H5*    G  23          1H5*        G  23  -2.169  -0.637  -3.758
  241   2H5*    G  23          2H5*        G  23  -1.751   0.965  -4.394
  242    H4*    G  23           H4*        G  23   0.004   0.578  -2.281
  243    H3*    G  23           H3*        G  23  -2.556  -0.775  -1.595
  244    H2*    G  23           H2*        G  23  -2.809   0.480   0.435
  245   2HO*    G  23          2HO*        G  23  -1.129   1.483   1.380
  246    H1*    G  23           H1*        G  23  -2.219   2.960  -0.602
  247    H8     G  23           H8         G  23  -3.718   1.639  -3.599
  248    H1     G  23           H1         G  23  -8.120   2.486   0.985
  249   1H2     G  23          H21         G  23  -5.424   2.743   3.129
  250   2H2     G  23          H22         G  23  -7.163   2.759   2.929
  251   1H5*    C  24          1H5*        C  24  -2.724  -2.777   2.583
  252   2H5*    C  24          2H5*        C  24  -3.232  -1.186   1.984
  253    H4*    C  24           H4*        C  24  -1.040  -0.973   3.861
  254    H3*    C  24           H3*        C  24  -3.406  -2.560   4.810
  255    H2*    C  24           H2*        C  24  -3.402  -1.296   6.858
  256   2HO*    C  24          2HO*        C  24  -1.608   0.448   6.858
  257    H1*    C  24           H1*        C  24  -3.046   1.191   5.641
  258   1H4     C  24          H41         C  24  -9.393  -0.098   4.539
  259   2H4     C  24          H42         C  24  -9.339   0.325   6.242
  260    H5     C  24           H5         C  24  -7.404  -0.391   3.196
  261    H6     C  24           H6         C  24  -4.967  -0.343   3.204
  262   1H5*    U  25          1H5*        U  25  -3.122  -3.936   7.292
  263   2H5*    U  25          2H5*        U  25  -3.244  -5.706   7.247
  264    H4*    U  25           H4*        U  25  -5.324  -4.544   7.936
  265    H3*    U  25           H3*        U  25  -5.342  -6.415   5.589
  266    H2*    U  25           H2*        U  25  -7.703  -5.961   5.294
  267   2HO*    U  25          2HO*        U  25  -8.313  -4.102   6.991
  268    H1*    U  25           H1*        U  25  -7.449  -3.217   5.442
  269    H3     U  25           H3         U  25  -7.780  -4.043   0.995
  270    H5     U  25           H5         U  25  -3.750  -4.760   1.925
  271    H6     U  25           H6         U  25  -4.326  -4.536   4.251
  272   1H5*    U  26          1H5*        U  26  -8.521  -8.403   7.717
  273   2H5*    U  26          2H5*        U  26  -8.229 -10.127   7.413
  274    H4*    U  26           H4*        U  26 -10.383  -9.263   6.523
  275    H3*    U  26           H3*        U  26  -8.421 -10.534   4.620
  276    H2*    U  26           H2*        U  26 -10.044 -10.221   2.873
  277   2HO*    U  26          2HO*        U  26 -12.175  -9.707   3.338
  278    H1*    U  26           H1*        U  26 -10.833  -7.641   3.740
  279    H3     U  26           H3         U  26  -8.785  -7.437  -0.374
  280    H5     U  26           H5         U  26  -5.754  -7.005   2.502
  281    H6     U  26           H6         U  26  -7.361  -7.638   4.178
  282   1H5*    U  27          1H5*        U  27 -12.213 -12.673   4.153
  283   2H5*    U  27          2H5*        U  27 -11.837 -14.349   3.707
  284    H4*    U  27           H4*        U  27 -13.304 -13.152   2.101
  285    H3*    U  27           H3*        U  27 -10.723 -14.373   1.173
  286    H2*    U  27           H2*        U  27 -11.193 -13.582  -1.064
  287   2HO*    U  27          2HO*        U  27 -13.713 -12.839   0.069
  288    H1*    U  27           H1*        U  27 -11.832 -11.004  -0.289
  289    H3     U  27           H3         U  27  -7.586 -10.731  -1.874
  290    H5     U  27           H5         U  27  -7.173 -12.107   2.070
  291    H6     U  27           H6         U  27  -9.561 -12.388   2.141
  292   1H5*    U  28          1H5*        U  28 -13.871 -16.466  -1.449
  293   2H5*    U  28          2H5*        U  28 -13.221 -18.113  -1.566
  294    H4*    U  28           H4*        U  28 -13.707 -17.112  -3.752
  295    H3*    U  28           H3*        U  28 -10.861 -17.894  -3.167
  296    H2*    U  28           H2*        U  28 -10.287 -17.190  -5.410
  297   2HO*    U  28          2HO*        U  28 -12.468 -17.949  -6.207
  298    H1*    U  28           H1*        U  28 -11.640 -14.768  -5.238
  299    H3     U  28           H3         U  28  -7.230 -13.761  -4.758
  300    H5     U  28           H5         U  28  -8.512 -14.931  -0.934
  301    H6     U  28           H6         U  28 -10.587 -15.635  -1.929
  302   1H5*    G  29          1H5*        G  29 -10.920 -20.982  -6.059
  303   2H5*    G  29          2H5*        G  29 -10.213 -22.368  -5.206
  304    H4*    G  29           H4*        G  29  -8.808 -21.543  -7.048
  305    H3*    G  29           H3*        G  29  -7.652 -21.448  -4.267
  306    H2*    G  29           H2*        G  29  -5.663 -20.504  -5.170
  307   2HO*    G  29          2HO*        G  29  -5.015 -20.930  -7.215
  308    H1*    G  29           H1*        G  29  -7.001 -19.144  -7.359
  309    H8     G  29           H8         G  29  -8.417 -18.096  -4.088
  310    H1     G  29           H1         G  29  -2.919 -15.135  -5.557
  311   1H2     G  29          H21         G  29  -2.640 -17.522  -8.042
  312   2H2     G  29          H22         G  29  -1.946 -16.124  -7.252
  313   1H5*    C  30          1H5*        C  30  -4.522 -23.227  -6.665
  314   2H5*    C  30          2H5*        C  30  -3.900 -24.554  -5.664
  315    H4*    C  30           H4*        C  30  -2.135 -23.024  -6.359
  316    H3*    C  30           H3*        C  30  -2.687 -23.234  -3.409
  317    H2*    C  30           H2*        C  30  -0.903 -21.668  -3.015
  318   2HO*    C  30          2HO*        C  30   0.005 -22.703  -5.313
  319    H1*    C  30           H1*        C  30  -1.592 -19.946  -5.131
  320   1H4     C  30          H41         C  30  -5.706 -18.497  -0.177
  321   2H4     C  30          H42         C  30  -4.424 -17.301  -0.117
  322    H5     C  30           H5         C  30  -5.691 -20.363  -1.711
  323    H6     C  30           H6         C  30  -4.449 -21.471  -3.494
  324   1H5*    U  31          1H5*        U  31   1.550 -23.463  -4.121
  325   2H5*    U  31          2H5*        U  31   2.223 -24.702  -3.045
  326    H4*    U  31           H4*        U  31   3.364 -22.501  -2.928
  327    H3*    U  31           H3*        U  31   2.171 -23.691  -0.436
  328    H2*    U  31           H2*        U  31   2.971 -21.792   0.798
  329   2HO*    U  31          2HO*        U  31   4.532 -20.459  -0.001
  330    H1*    U  31           H1*        U  31   2.277 -19.892  -1.171
  331    H3     U  31           H3         U  31  -0.544 -19.044   2.269
  332    H5     U  31           H5         U  31  -2.176 -22.405   0.352
  333    H6     U  31           H6         U  31  -0.177 -22.518  -0.986
  334    H3T    U  31           H3T        U  31   4.842 -23.240  -0.757
  Start of MODEL   17
    1   1H5*    A   1          1H5*        A   1   1.784 -11.709   6.963
    2   2H5*    A   1          2H5*        A   1   1.362 -13.395   7.313
    3    H4*    A   1           H4*        A   1   4.166 -12.657   6.580
    4    H3*    A   1           H3*        A   1   1.888 -12.856   4.627
    5    H2*    A   1           H2*        A   1   3.363 -14.053   3.128
    6   2HO*    A   1          2HO*        A   1   5.496 -13.900   3.315
    7    H1*    A   1           H1*        A   1   4.344 -15.772   5.080
    8    H8     A   1           H8         A   1   0.712 -14.890   5.730
    9   1H6     A   1          H61         A   1  -0.711 -19.761   2.186
   10   2H6     A   1          H62         A   1  -1.343 -18.538   3.265
   11    H2     A   1           H2         A   1   3.710 -19.068   1.888
   12    H5T    A   1           H5T        A   1   2.977 -11.617   8.716
   13   1H5*    G   2          1H5*        G   2   4.816 -10.713   2.093
   14   2H5*    G   2          2H5*        G   2   3.852  -9.532   1.186
   15    H4*    G   2           H4*        G   2   5.145 -11.133  -0.216
   16    H3*    G   2           H3*        G   2   2.159 -10.944  -0.553
   17    H2*    G   2           H2*        G   2   2.296 -12.609  -2.272
   18   2HO*    G   2          2HO*        G   2   4.763 -11.537  -2.541
   19    H1*    G   2           H1*        G   2   4.277 -14.177  -0.969
   20    H8     G   2           H8         G   2   1.907 -13.488   1.702
   21    H1     G   2           H1         G   2  -0.454 -17.672  -2.546
   22   1H2     G   2          H21         G   2   2.161 -16.662  -4.573
   23   2H2     G   2          H22         G   2   0.756 -17.682  -4.365
   24   1H5*    U   3          1H5*        U   3   3.879 -10.142  -4.704
   25   2H5*    U   3          2H5*        U   3   2.788  -8.890  -5.326
   26    H4*    U   3           H4*        U   3   2.989 -10.737  -6.885
   27    H3*    U   3           H3*        U   3   0.268 -10.356  -5.651
   28    H2*    U   3           H2*        U   3  -0.520 -12.180  -7.011
   29   2HO*    U   3          2HO*        U   3   2.053 -12.271  -8.232
   30    H1*    U   3           H1*        U   3   1.742 -13.800  -6.578
   31    H3     U   3           H3         U   3  -1.425 -16.012  -4.273
   32    H5     U   3           H5         U   3  -0.671 -12.603  -1.939
   33    H6     U   3           H6         U   3   0.729 -11.789  -3.719
   34   1H5*    A   4          1H5*        A   4  -0.317  -9.939 -10.289
   35   2H5*    A   4          2H5*        A   4  -1.263  -8.439 -10.276
   36    H4*    A   4           H4*        A   4  -2.195 -10.108 -11.787
   37    H3*    A   4           H3*        A   4  -3.888  -9.209  -9.481
   38    H2*    A   4           H2*        A   4  -5.645 -10.712 -10.231
   39   2HO*    A   4          2HO*        A   4  -4.529 -12.118 -12.142
   40    H1*    A   4           H1*        A   4  -4.006 -12.904 -10.349
   41    H8     A   4           H8         A   4  -2.173 -11.055  -7.800
   42   1H6     A   4          H61         A   4  -6.463 -12.715  -3.658
   43   2H6     A   4          H62         A   4  -4.860 -12.048  -3.877
   44    H2     A   4           H2         A   4  -8.075 -13.572  -7.756
   45   1H5*    G   5          1H5*        G   5  -6.597  -7.339 -12.387
   46   2H5*    G   5          2H5*        G   5  -6.956  -5.770 -11.641
   47    H4*    G   5           H4*        G   5  -8.916  -7.259 -11.883
   48    H3*    G   5           H3*        G   5  -8.182  -6.330  -9.110
   49    H2*    G   5           H2*        G   5 -10.156  -7.491  -8.322
   50   2HO*    G   5          2HO*        G   5 -10.735  -8.318 -10.970
   51    H1*    G   5           H1*        G   5  -9.632  -9.820  -9.774
   52    H8     G   5           H8         G   5  -6.259  -8.779  -8.791
   53    H1     G   5           H1         G   5  -9.686 -11.001  -3.840
   54   1H2     G   5          H21         G   5 -12.390 -10.691  -5.960
   55   2H2     G   5          H22         G   5 -11.799 -11.142  -4.376
   56   1H5*    A   6          1H5*        A   6 -12.034  -6.467  -9.389
   57   2H5*    A   6          2H5*        A   6 -12.806  -4.902  -9.079
   58    H4*    A   6           H4*        A   6 -13.841  -6.824  -7.900
   59    H3*    A   6           H3*        A   6 -13.670  -4.311  -6.916
   60    H2*    A   6           H2*        A   6 -11.644  -4.634  -5.624
   61   2HO*    A   6          2HO*        A   6 -13.540  -4.186  -4.210
   62    H1*    A   6           H1*        A   6 -12.742  -7.395  -4.823
   63    H8     A   6           H8         A   6  -9.439  -6.382  -6.498
   64   1H6     A   6          H61         A   6  -6.700  -8.199  -1.255
   65   2H6     A   6          H62         A   6  -6.452  -7.631  -2.897
   66    H2     A   6           H2         A   6 -11.145  -8.486  -0.672
   67   1H5*    A   7          1H5*        A   7 -15.314  -6.370  -3.235
   68   2H5*    A   7          2H5*        A   7 -16.766  -5.457  -2.780
   69    H4*    A   7           H4*        A   7 -15.596  -5.563  -0.801
   70    H3*    A   7           H3*        A   7 -14.972  -2.933  -2.115
   71    H2*    A   7           H2*        A   7 -13.337  -2.473  -0.474
   72   2HO*    A   7          2HO*        A   7 -15.163  -3.138   1.132
   73    H1*    A   7           H1*        A   7 -12.921  -5.300   0.254
   74    H8     A   7           H8         A   7 -11.841  -4.060  -3.182
   75   1H6     A   7          H61         A   7  -6.237  -3.323  -0.628
   76   2H6     A   7          H62         A   7  -7.139  -3.300  -2.129
   77    H2     A   7           H2         A   7  -9.143  -4.294   2.636
   78   1H5*    A   8          1H5*        A   8 -16.644   0.311   1.413
   79   2H5*    A   8          2H5*        A   8 -15.138   0.942   0.718
   80    H4*    A   8           H4*        A   8 -15.667  -0.240   3.340
   81    H3*    A   8           H3*        A   8 -13.651   1.694   2.235
   82    H2*    A   8           H2*        A   8 -12.166   1.146   4.039
   83   2HO*    A   8          2HO*        A   8 -12.880   0.230   5.883
   84    H1*    A   8           H1*        A   8 -12.638  -1.619   3.977
   85    H8     A   8           H8         A   8 -12.418   0.034   0.549
   86   1H6     A   8          H61         A   8  -6.387  -1.354   0.744
   87   2H6     A   8          H62         A   8  -7.687  -0.738  -0.251
   88    H2     A   8           H2         A   8  -8.163  -2.299   4.754
   89   1H5*    C   9          1H5*        C   9 -14.019   3.459   7.289
   90   2H5*    C   9          2H5*        C   9 -13.194   4.792   6.457
   91    H4*    C   9           H4*        C   9 -12.118   3.203   8.409
   92    H3*    C   9           H3*        C   9 -10.869   5.040   6.406
   93    H2*    C   9           H2*        C   9  -8.687   4.156   6.909
   94   2HO*    C   9          2HO*        C   9  -8.696   2.400   8.622
   95    H1*    C   9           H1*        C   9  -9.421   1.481   6.880
   96   1H4     C   9          H41         C   9  -9.443   3.257   0.520
   97   2H4     C   9          H42         C   9  -7.880   2.511   0.822
   98    H5     C   9           H5         C   9 -11.070   3.664   2.279
   99    H6     C   9           H6         C   9 -11.519   3.432   4.661
  100   1H5*    A  10          1H5*        A  10  -8.436   8.926   8.890
  101   2H5*    A  10          2H5*        A  10  -8.138   8.129   7.333
  102    H4*    A  10           H4*        A  10  -6.634   7.880   9.914
  103    H3*    A  10           H3*        A  10  -5.941   8.877   7.196
  104    H2*    A  10           H2*        A  10  -3.814   7.772   7.209
  105   2HO*    A  10          2HO*        A  10  -2.822   7.583   9.076
  106    H1*    A  10           H1*        A  10  -4.658   5.353   8.259
  107    H8     A  10           H8         A  10  -7.609   6.036   6.277
  108   1H6     A  10          H61         A  10  -4.438   4.565   1.169
  109   2H6     A  10          H62         A  10  -6.028   4.858   1.837
  110    H2     A  10           H2         A  10  -1.506   5.108   4.516
  111   1H5*    A  11          1H5*        A  11  -2.167  12.297   7.622
  112   2H5*    A  11          2H5*        A  11  -2.606  11.367   6.176
  113    H4*    A  11           H4*        A  11  -0.348  10.943   8.099
  114    H3*    A  11           H3*        A  11  -0.519  11.490   5.166
  115    H2*    A  11           H2*        A  11   1.283   9.976   4.714
  116   2HO*    A  11          2HO*        A  11   2.372  10.763   6.770
  117    H1*    A  11           H1*        A  11   0.484   7.953   6.462
  118    H8     A  11           H8         A  11  -2.784   8.880   5.233
  119   1H6     A  11          H61         A  11  -1.527   6.014  -0.108
  120   2H6     A  11          H62         A  11  -2.786   6.718   0.881
  121    H2     A  11           H2         A  11   2.316   6.493   2.150
  122   1H5*    G  12          1H5*        G  12   3.453  11.853   5.493
  123   2H5*    G  12          2H5*        G  12   3.893  13.552   5.227
  124    H4*    G  12           H4*        G  12   5.311  12.210   3.885
  125    H3*    G  12           H3*        G  12   3.320  13.867   2.424
  126    H2*    G  12           H2*        G  12   3.808  12.826   0.321
  127   2HO*    G  12          2HO*        G  12   6.181  12.358   1.584
  128    H1*    G  12           H1*        G  12   3.905  10.215   1.202
  129    H8     G  12           H8         G  12   1.306  11.859   3.315
  130    H1     G  12           H1         G  12  -0.742  10.188  -2.526
  131   1H2     G  12          H21         G  12   2.602   9.700  -3.232
  132   2H2     G  12          H22         G  12   0.951   9.655  -3.810
  133   1H5*    G  13          1H5*        G  13   6.219  13.292  -0.061
  134   2H5*    G  13          2H5*        G  13   6.868  14.773  -0.787
  135    H4*    G  13           H4*        G  13   6.196  13.167  -2.486
  136    H3*    G  13           H3*        G  13   4.689  15.761  -2.363
  137    H2*    G  13           H2*        G  13   3.330  15.041  -4.186
  138   2HO*    G  13          2HO*        G  13   4.615  12.703  -4.794
  139    H1*    G  13           H1*        G  13   3.381  12.265  -3.490
  140    H8     G  13           H8         G  13   2.240  14.192  -0.545
  141    H1     G  13           H1         G  13  -2.377  13.192  -4.900
  142   1H2     G  13          H21         G  13   0.207  12.194  -6.962
  143   2H2     G  13          H22         G  13  -1.512  12.462  -6.768
  144   1H5*    C  14          1H5*        C  14   5.982  15.786  -6.731
  145   2H5*    C  14          2H5*        C  14   5.882  17.526  -7.064
  146    H4*    C  14           H4*        C  14   4.323  16.122  -8.398
  147    H3*    C  14           H3*        C  14   3.185  18.302  -6.648
  148    H2*    C  14           H2*        C  14   1.022  17.748  -7.572
  149   2HO*    C  14          2HO*        C  14   2.432  15.935  -9.279
  150    H1*    C  14           H1*        C  14   1.396  14.966  -7.325
  151   1H4     C  14          H41         C  14  -0.215  17.439  -1.382
  152   2H4     C  14          H42         C  14  -1.682  16.751  -2.067
  153    H5     C  14           H5         C  14   1.881  17.541  -2.624
  154    H6     C  14           H6         C  14   2.968  16.940  -4.769
  155   1H5*    U  15          1H5*        U  15   2.054  21.005 -10.024
  156   2H5*    U  15          2H5*        U  15   2.671  22.487  -9.268
  157    H4*    U  15           H4*        U  15   0.164  22.298  -9.657
  158    H3*    U  15           H3*        U  15   1.290  23.138  -6.984
  159    H2*    U  15           H2*        U  15  -0.967  23.396  -6.226
  160   2HO*    U  15          2HO*        U  15  -1.972  22.673  -8.767
  161    H1*    U  15           H1*        U  15  -1.897  21.019  -7.380
  162    H3     U  15           H3         U  15  -1.885  20.223  -2.913
  163    H5     U  15           H5         U  15   2.118  19.768  -4.098
  164    H6     U  15           H6         U  15   1.493  20.614  -6.263
  165   1H5*    U  16          1H5*        U  16  -0.717  28.062  -8.458
  166   2H5*    U  16          2H5*        U  16  -1.701  27.933  -6.988
  167    H4*    U  16           H4*        U  16  -3.199  28.532  -8.667
  168    H3*    U  16           H3*        U  16  -3.829  26.346  -7.334
  169    H2*    U  16           H2*        U  16  -2.763  24.663  -8.658
  170   2HO*    U  16          2HO*        U  16  -4.528  23.685  -9.310
  171    H1*    U  16           H1*        U  16  -3.490  25.926 -11.311
  172    H3     U  16           H3         U  16  -0.746  22.533 -12.570
  173    H5     U  16           H5         U  16   1.740  25.378 -10.739
  174    H6     U  16           H6         U  16  -0.247  26.522 -10.003
  175   1H5*    C  17          1H5*        C  17  -6.560  24.198  -8.482
  176   2H5*    C  17          2H5*        C  17  -7.996  25.211  -8.256
  177    H4*    C  17           H4*        C  17  -8.369  23.012  -7.421
  178    H3*    C  17           H3*        C  17  -9.240  25.071  -6.034
  179    H2*    C  17           H2*        C  17  -7.107  25.622  -4.971
  180   2HO*    C  17          2HO*        C  17  -7.466  25.173  -2.817
  181    H1*    C  17           H1*        C  17  -6.850  22.709  -4.094
  182   1H4     C  17          H41         C  17  -0.664  24.976  -4.514
  183   2H4     C  17          H42         C  17  -0.954  24.631  -2.805
  184    H5     C  17           H5         C  17  -2.434  24.908  -6.172
  185    H6     C  17           H6         C  17  -4.776  24.367  -6.572
  186   1H5*    G  18          1H5*        G  18 -10.466  23.845  -7.402
  187   2H5*    G  18          2H5*        G  18 -12.156  23.952  -7.921
  188    H4*    G  18           H4*        G  18 -12.265  21.744  -8.520
  189    H3*    G  18           H3*        G  18  -9.999  21.144  -6.633
  190    H2*    G  18           H2*        G  18  -9.236  19.469  -8.100
  191   2HO*    G  18          2HO*        G  18 -11.692  19.355  -9.483
  192    H1*    G  18           H1*        G  18 -10.600  20.631 -10.456
  193    H8     G  18           H8         G  18  -8.850  21.002 -12.257
  194    H1     G  18           H1         G  18  -4.112  20.903  -7.931
  195   1H2     G  18          H21         G  18  -6.641  20.733  -5.591
  196   2H2     G  18          H22         G  18  -4.923  20.785  -5.906
  197   1H5*    G  19          1H5*        G  19 -11.068  15.794  -5.949
  198   2H5*    G  19          2H5*        G  19 -10.048  16.887  -5.002
  199    H4*    G  19           H4*        G  19 -10.389  17.165  -7.971
  200    H3*    G  19           H3*        G  19  -8.664  15.186  -6.587
  201    H2*    G  19           H2*        G  19  -6.681  15.890  -7.718
  202   2HO*    G  19          2HO*        G  19  -7.808  16.040  -9.792
  203    H1*    G  19           H1*        G  19  -7.151  18.641  -7.692
  204    H8     G  19           H8         G  19  -8.351  17.845  -4.373
  205    H1     G  19           H1         G  19  -1.972  17.431  -4.791
  206   1H2     G  19          H21         G  19  -2.496  17.427  -8.197
  207   2H2     G  19          H22         G  19  -1.353  17.365  -6.864
  208   1H5*    C  20          1H5*        C  20  -8.138  13.879 -10.821
  209   2H5*    C  20          2H5*        C  20  -8.193  12.106 -10.766
  210    H4*    C  20           H4*        C  20  -6.112  12.951 -11.729
  211    H3*    C  20           H3*        C  20  -6.051  11.220  -9.310
  212    H2*    C  20           H2*        C  20  -3.705  11.569  -8.976
  213   2HO*    C  20          2HO*        C  20  -2.739  11.499 -10.902
  214    H1*    C  20           H1*        C  20  -3.636  14.294  -9.526
  215   1H4     C  20          H41         C  20  -6.230  13.894  -3.453
  216   2H4     C  20          H42         C  20  -4.564  14.426  -3.273
  217    H5     C  20           H5         C  20  -7.194  13.295  -5.622
  218    H6     C  20           H6         C  20  -6.681  13.039  -8.031
  219   1H5*    C  21          1H5*        C  21  -3.151   9.704 -11.333
  220   2H5*    C  21          2H5*        C  21  -3.153   7.949 -11.592
  221    H4*    C  21           H4*        C  21  -1.154   8.824 -10.414
  222    H3*    C  21           H3*        C  21  -2.765   6.578  -9.391
  223    H2*    C  21           H2*        C  21  -2.323   7.050  -7.142
  224   2HO*    C  21          2HO*        C  21   0.045   6.435  -8.226
  225    H1*    C  21           H1*        C  21  -0.466   9.344  -7.933
  226   1H4     C  21          H41         C  21  -3.965  11.386  -2.710
  227   2H4     C  21          H42         C  21  -2.472  10.770  -2.021
  228    H5     C  21           H5         C  21  -4.506  11.150  -5.048
  229    H6     C  21           H6         C  21  -3.747  10.337  -7.192
  230   1H5*    U  22          1H5*        U  22  -1.460   3.178  -7.446
  231   2H5*    U  22          2H5*        U  22  -2.191   4.794  -7.425
  232    H4*    U  22           H4*        U  22   0.339   4.565  -5.955
  233    H3*    U  22           H3*        U  22  -1.953   2.811  -5.147
  234    H2*    U  22           H2*        U  22  -1.689   3.493  -2.858
  235   2HO*    U  22          2HO*        U  22   0.218   5.196  -2.715
  236    H1*    U  22           H1*        U  22  -1.327   6.208  -3.380
  237    H3     U  22           H3         U  22  -5.483   6.092  -1.651
  238    H5     U  22           H5         U  22  -5.959   4.642  -5.563
  239    H6     U  22           H6         U  22  -3.562   4.642  -5.771
  240   1H5*    G  23          1H5*        G  23   1.856   0.222  -2.189
  241   2H5*    G  23          2H5*        G  23   0.302  -0.516  -1.754
  242    H4*    G  23           H4*        G  23   2.040   1.154  -0.196
  243    H3*    G  23           H3*        G  23  -0.318  -0.585   0.386
  244    H2*    G  23           H2*        G  23  -0.798   0.644   2.401
  245   2HO*    G  23          2HO*        G  23   1.807   1.631   1.924
  246    H1*    G  23           H1*        G  23  -0.603   3.153   1.289
  247    H8     G  23           H8         G  23  -1.792   1.481  -1.683
  248    H1     G  23           H1         G  23  -6.365   1.762   2.806
  249   1H2     G  23          H21         G  23  -3.776   2.555   4.962
  250   2H2     G  23          H22         G  23  -5.492   2.275   4.756
  251   1H5*    C  24          1H5*        C  24  -0.667  -2.682   4.199
  252   2H5*    C  24          2H5*        C  24  -1.389  -1.116   3.783
  253    H4*    C  24           H4*        C  24   0.568  -0.968   5.945
  254    H3*    C  24           H3*        C  24  -1.769  -2.821   6.310
  255    H2*    C  24           H2*        C  24  -2.125  -1.882   8.500
  256   2HO*    C  24          2HO*        C  24   0.212  -1.708   8.912
  257    H1*    C  24           H1*        C  24  -1.798   0.779   7.708
  258   1H4     C  24          H41         C  24  -7.854  -0.687   5.622
  259   2H4     C  24          H42         C  24  -8.034  -0.572   7.364
  260    H5     C  24           H5         C  24  -5.708  -0.615   4.517
  261    H6     C  24           H6         C  24  -3.301  -0.416   4.846
  262   1H5*    U  25          1H5*        U  25  -2.199  -4.149   8.181
  263   2H5*    U  25          2H5*        U  25  -1.700  -5.844   8.339
  264    H4*    U  25           H4*        U  25  -4.065  -5.787   8.393
  265    H3*    U  25           H3*        U  25  -2.999  -6.849   5.784
  266    H2*    U  25           H2*        U  25  -5.262  -7.203   5.081
  267   2HO*    U  25          2HO*        U  25  -6.324  -8.004   6.816
  268    H1*    U  25           H1*        U  25  -6.250  -4.784   6.143
  269    H3     U  25           H3         U  25  -6.650  -4.449   1.660
  270    H5     U  25           H5         U  25  -2.628  -3.535   2.457
  271    H6     U  25           H6         U  25  -3.002  -4.239   4.730
  272   1H5*    U  26          1H5*        U  26  -5.909  -9.498   7.922
  273   2H5*    U  26          2H5*        U  26  -5.570 -11.188   7.503
  274    H4*    U  26           H4*        U  26  -7.933 -10.643   7.272
  275    H3*    U  26           H3*        U  26  -6.494 -11.385   4.728
  276    H2*    U  26           H2*        U  26  -8.630 -11.235   3.612
  277   2HO*    U  26          2HO*        U  26  -9.536 -11.435   6.249
  278    H1*    U  26           H1*        U  26  -9.374  -8.847   4.881
  279    H3     U  26           H3         U  26  -8.538  -7.608   0.611
  280    H5     U  26           H5         U  26  -4.738  -8.077   2.348
  281    H6     U  26           H6         U  26  -5.827  -8.998   4.285
  282   1H5*    U  27          1H5*        U  27 -10.054 -13.442   5.285
  283   2H5*    U  27          2H5*        U  27 -10.051 -15.102   4.658
  284    H4*    U  27           H4*        U  27 -11.901 -13.694   3.808
  285    H3*    U  27           H3*        U  27  -9.986 -14.948   1.858
  286    H2*    U  27           H2*        U  27 -11.307 -13.993   0.063
  287   2HO*    U  27          2HO*        U  27 -13.396 -14.012   0.685
  288    H1*    U  27           H1*        U  27 -11.365 -11.454   1.167
  289    H3     U  27           H3         U  27  -8.222 -11.501  -2.149
  290    H5     U  27           H5         U  27  -6.216 -12.666   1.348
  291    H6     U  27           H6         U  27  -8.358 -12.883   2.410
  292   1H5*    U  28          1H5*        U  28 -13.682 -16.665   0.207
  293   2H5*    U  28          2H5*        U  28 -13.257 -18.378   0.032
  294    H4*    U  28           H4*        U  28 -14.037 -17.500  -2.065
  295    H3*    U  28           H3*        U  28 -11.095 -18.166  -2.043
  296    H2*    U  28           H2*        U  28 -11.101 -17.639  -4.413
  297   2HO*    U  28          2HO*        U  28 -13.923 -17.412  -4.009
  298    H1*    U  28           H1*        U  28 -12.429 -15.222  -4.042
  299    H3     U  28           H3         U  28  -8.016 -14.268  -4.730
  300    H5     U  28           H5         U  28  -8.368 -15.054  -0.619
  301    H6     U  28           H6         U  28 -10.612 -15.819  -1.037
  302   1H5*    G  29          1H5*        G  29 -11.719 -21.528  -4.605
  303   2H5*    G  29          2H5*        G  29 -10.700 -22.786  -3.879
  304    H4*    G  29           H4*        G  29  -9.960 -22.015  -6.123
  305    H3*    G  29           H3*        G  29  -8.025 -21.745  -3.823
  306    H2*    G  29           H2*        G  29  -6.434 -20.866  -5.371
  307   2HO*    G  29          2HO*        G  29  -8.018 -22.319  -7.165
  308    H1*    G  29           H1*        G  29  -8.416 -19.546  -7.015
  309    H8     G  29           H8         G  29  -8.921 -18.416  -3.557
  310    H1     G  29           H1         G  29  -3.855 -15.642  -6.346
  311   1H2     G  29          H21         G  29  -4.214 -18.087  -8.765
  312   2H2     G  29          H22         G  29  -3.328 -16.691  -8.194
  313   1H5*    C  30          1H5*        C  30  -5.877 -22.863  -7.035
  314   2H5*    C  30          2H5*        C  30  -5.118 -24.424  -6.664
  315    H4*    C  30           H4*        C  30  -3.450 -23.041  -7.602
  316    H3*    C  30           H3*        C  30  -3.113 -23.371  -4.629
  317    H2*    C  30           H2*        C  30  -1.147 -21.995  -4.752
  318   2HO*    C  30          2HO*        C  30  -1.158 -21.495  -7.444
  319    H1*    C  30           H1*        C  30  -2.236 -20.143  -6.593
  320   1H4     C  30          H41         C  30  -4.360 -18.290  -0.626
  321   2H4     C  30          H42         C  30  -2.985 -17.266  -1.002
  322    H5     C  30           H5         C  30  -5.064 -20.116  -2.050
  323    H6     C  30           H6         C  30  -4.590 -21.338  -4.107
  324   1H5*    U  31          1H5*        U  31   0.516 -23.468  -5.982
  325   2H5*    U  31          2H5*        U  31   1.109 -25.140  -5.943
  326    H4*    U  31           H4*        U  31   2.933 -23.919  -5.236
  327    H3*    U  31           H3*        U  31   1.492 -24.986  -2.826
  328    H2*    U  31           H2*        U  31   3.100 -23.890  -1.415
  329   2HO*    U  31          2HO*        U  31   4.916 -24.405  -2.825
  330    H1*    U  31           H1*        U  31   3.149 -21.492  -2.873
  331    H3     U  31           H3         U  31   0.989 -20.380   0.941
  332    H5     U  31           H5         U  31  -1.887 -22.416  -1.344
  333    H6     U  31           H6         U  31  -0.140 -22.978  -2.902
  334    H3T    U  31           H3T        U  31   4.014 -25.713  -3.195
  Start of MODEL   18
    1   1H5*    A   1          1H5*        A   1   4.165 -16.813   7.490
    2   2H5*    A   1          2H5*        A   1   3.100 -15.961   6.356
    3    H4*    A   1           H4*        A   1   5.190 -17.209   5.479
    4    H3*    A   1           H3*        A   1   2.484 -17.164   4.194
    5    H2*    A   1           H2*        A   1   3.263 -18.706   2.506
    6   2HO*    A   1          2HO*        A   1   5.539 -17.577   2.845
    7    H1*    A   1           H1*        A   1   4.495 -20.454   4.265
    8    H8     A   1           H8         A   1   1.728 -19.511   6.402
    9   1H6     A   1          H61         A   1  -2.045 -23.013   2.962
   10   2H6     A   1          H62         A   1  -1.871 -22.141   4.467
   11    H2     A   1           H2         A   1   1.796 -22.478   0.709
   12    H5T    A   1           H5T        A   1   2.728 -18.473   7.604
   13   1H5*    G   2          1H5*        G   2   4.995 -15.606   0.775
   14   2H5*    G   2          2H5*        G   2   3.998 -14.298   0.108
   15    H4*    G   2           H4*        G   2   4.642 -16.063  -1.523
   16    H3*    G   2           H3*        G   2   1.771 -15.330  -1.086
   17    H2*    G   2           H2*        G   2   1.050 -17.090  -2.527
   18   2HO*    G   2          2HO*        G   2   3.791 -17.370  -3.285
   19    H1*    G   2           H1*        G   2   2.988 -18.995  -1.761
   20    H8     G   2           H8         G   2   1.833 -17.597   1.425
   21    H1     G   2           H1         G   2  -2.460 -21.554  -1.219
   22   1H2     G   2          H21         G   2  -0.535 -21.237  -4.081
   23   2H2     G   2          H22         G   2  -1.942 -21.951  -3.322
   24   1H5*    U   3          1H5*        U   3   3.001 -15.151  -5.594
   25   2H5*    U   3          2H5*        U   3   1.848 -14.028  -6.341
   26    H4*    U   3           H4*        U   3   2.071 -16.218  -7.496
   27    H3*    U   3           H3*        U   3  -0.608 -15.247  -6.557
   28    H2*    U   3           H2*        U   3  -1.617 -17.283  -7.357
   29   2HO*    U   3          2HO*        U   3  -0.538 -17.596  -9.282
   30    H1*    U   3           H1*        U   3   0.351 -18.996  -6.365
   31    H3     U   3           H3         U   3  -3.042 -19.776  -3.511
   32    H5     U   3           H5         U   3  -1.596 -16.002  -2.364
   33    H6     U   3           H6         U   3  -0.164 -16.049  -4.296
   34   1H5*    A   4          1H5*        A   4  -1.697 -15.990 -10.835
   35   2H5*    A   4          2H5*        A   4  -2.046 -14.323 -11.330
   36    H4*    A   4           H4*        A   4  -3.814 -15.683 -12.098
   37    H3*    A   4           H3*        A   4  -4.542 -13.861  -9.855
   38    H2*    A   4           H2*        A   4  -6.764 -14.805  -9.730
   39   2HO*    A   4          2HO*        A   4  -6.933 -16.781 -11.302
   40    H1*    A   4           H1*        A   4  -5.962 -17.389  -9.576
   41    H8     A   4           H8         A   4  -2.929 -15.823  -8.220
   42   1H6     A   4          H61         A   4  -5.879 -15.146  -2.821
   43   2H6     A   4          H62         A   4  -4.331 -15.087  -3.633
   44    H2     A   4           H2         A   4  -8.921 -16.206  -5.956
   45   1H5*    G   5          1H5*        G   5  -7.336 -11.962 -12.734
   46   2H5*    G   5          2H5*        G   5  -7.193 -10.240 -12.334
   47    H4*    G   5           H4*        G   5  -9.435 -11.229 -11.934
   48    H3*    G   5           H3*        G   5  -8.029  -9.891  -9.635
   49    H2*    G   5           H2*        G   5  -9.959 -10.444  -8.257
   50   2HO*    G   5          2HO*        G   5 -11.223 -11.853 -10.315
   51    H1*    G   5           H1*        G   5 -10.066 -13.090  -9.053
   52    H8     G   5           H8         G   5  -6.448 -12.388  -9.205
   53    H1     G   5           H1         G   5  -8.623 -13.028  -3.205
   54   1H2     G   5          H21         G   5 -11.753 -12.771  -4.623
   55   2H2     G   5          H22         G   5 -10.801 -12.965  -3.168
   56   1H5*    A   6          1H5*        A   6 -11.747  -9.408  -9.737
   57   2H5*    A   6          2H5*        A   6 -12.558  -7.895  -9.302
   58    H4*    A   6           H4*        A   6 -13.217  -9.953  -7.995
   59    H3*    A   6           H3*        A   6 -13.246  -7.391  -7.055
   60    H2*    A   6           H2*        A   6 -11.128  -7.396  -5.927
   61   2HO*    A   6          2HO*        A   6 -11.511  -8.056  -3.739
   62    H1*    A   6           H1*        A   6 -11.547 -10.343  -5.134
   63    H8     A   6           H8         A   6  -8.739  -9.153  -7.368
   64   1H6     A   6          H61         A   6  -5.114  -9.552  -2.370
   65   2H6     A   6          H62         A   6  -5.155  -9.328  -4.111
   66    H2     A   6           H2         A   6  -9.371 -10.031  -1.040
   67   1H5*    A   7          1H5*        A   7 -14.819  -8.891  -3.093
   68   2H5*    A   7          2H5*        A   7 -16.293  -7.929  -2.871
   69    H4*    A   7           H4*        A   7 -14.956  -7.507  -0.993
   70    H3*    A   7           H3*        A   7 -14.909  -5.214  -2.924
   71    H2*    A   7           H2*        A   7 -13.193  -4.145  -1.710
   72   2HO*    A   7          2HO*        A   7 -12.948  -4.699   0.584
   73    H1*    A   7           H1*        A   7 -12.230  -6.591  -0.377
   74    H8     A   7           H8         A   7 -11.814  -6.144  -4.136
   75   1H6     A   7          H61         A   7  -6.135  -4.052  -2.837
   76   2H6     A   7          H62         A   7  -7.237  -4.527  -4.111
   77    H2     A   7           H2         A   7  -8.351  -4.569   1.032
   78   1H5*    A   8          1H5*        A   8 -15.962  -0.989  -0.559
   79   2H5*    A   8          2H5*        A   8 -14.543  -1.788  -1.263
   80    H4*    A   8           H4*        A   8 -14.949  -1.487   1.703
   81    H3*    A   8           H3*        A   8 -13.788   0.540  -0.179
   82    H2*    A   8           H2*        A   8 -11.993   0.949   1.355
   83   2HO*    A   8          2HO*        A   8 -13.775  -0.316   3.141
   84    H1*    A   8           H1*        A   8 -11.584  -1.734   2.083
   85    H8     A   8           H8         A   8 -12.245  -1.077  -1.627
   86   1H6     A   8          H61         A   8  -6.084  -0.803  -2.191
   87   2H6     A   8          H62         A   8  -7.608  -0.812  -3.049
   88    H2     A   8           H2         A   8  -7.083  -1.096   2.184
   89   1H5*    C   9          1H5*        C   9 -14.151   3.948   4.288
   90   2H5*    C   9          2H5*        C   9 -13.203   4.571   2.925
   91    H4*    C   9           H4*        C   9 -12.336   3.489   5.480
   92    H3*    C   9           H3*        C   9 -11.168   5.313   3.418
   93    H2*    C   9           H2*        C   9  -8.941   4.736   4.095
   94   2HO*    C   9          2HO*        C   9  -9.989   3.112   6.177
   95    H1*    C   9           H1*        C   9  -9.365   1.993   4.330
   96   1H4     C   9          H41         C   9  -9.030   2.928  -2.183
   97   2H4     C   9          H42         C   9  -7.385   2.607  -1.646
   98    H5     C   9           H5         C   9 -10.880   3.199  -0.619
   99    H6     C   9           H6         C   9 -11.505   3.203   1.736
  100   1H5*    A  10          1H5*        A  10  -9.172   9.002   6.760
  101   2H5*    A  10          2H5*        A  10  -9.079   9.319   5.018
  102    H4*    A  10           H4*        A  10  -7.021   8.465   6.898
  103    H3*    A  10           H3*        A  10  -7.112  10.064   4.410
  104    H2*    A  10           H2*        A  10  -5.033   9.240   3.574
  105   2HO*    A  10          2HO*        A  10  -4.682   8.624   6.280
  106    H1*    A  10           H1*        A  10  -5.350   6.576   4.190
  107    H8     A  10           H8         A  10  -8.827   7.215   3.455
  108   1H6     A  10          H61         A  10  -7.462   7.402  -2.581
  109   2H6     A  10          H62         A  10  -8.751   7.292  -1.404
  110    H2     A  10           H2         A  10  -3.622   7.652  -0.277
  111   1H5*    A  11          1H5*        A  11  -3.518  12.647   7.353
  112   2H5*    A  11          2H5*        A  11  -2.913  13.486   5.911
  113    H4*    A  11           H4*        A  11  -1.433  11.950   7.635
  114    H3*    A  11           H3*        A  11  -0.888  13.113   4.964
  115    H2*    A  11           H2*        A  11   0.857  11.563   4.449
  116   2HO*    A  11          2HO*        A  11   0.892  11.356   7.220
  117    H1*    A  11           H1*        A  11  -0.338   9.258   5.392
  118    H8     A  11           H8         A  11  -3.338  10.906   4.172
  119   1H6     A  11          H61         A  11  -1.688   9.437  -1.610
  120   2H6     A  11          H62         A  11  -2.986  10.018  -0.592
  121    H2     A  11           H2         A  11   1.847   8.748   1.058
  122   1H5*    G  12          1H5*        G  12   3.202  13.445   6.334
  123   2H5*    G  12          2H5*        G  12   3.479  15.196   6.260
  124    H4*    G  12           H4*        G  12   5.183  14.019   5.027
  125    H3*    G  12           H3*        G  12   3.330  15.774   3.459
  126    H2*    G  12           H2*        G  12   4.408  15.111   1.407
  127   2HO*    G  12          2HO*        G  12   6.228  13.533   1.667
  128    H1*    G  12           H1*        G  12   4.431  12.399   1.957
  129    H8     G  12           H8         G  12   1.323  13.666   3.568
  130    H1     G  12           H1         G  12   0.818  12.850  -2.772
  131   1H2     G  12          H21         G  12   4.257  12.557  -2.704
  132   2H2     G  12          H22         G  12   2.796  12.561  -3.667
  133   1H5*    G  13          1H5*        G  13   6.548  16.122   1.550
  134   2H5*    G  13          2H5*        G  13   7.031  17.789   1.188
  135    H4*    G  13           H4*        G  13   6.782  16.444  -0.836
  136    H3*    G  13           H3*        G  13   4.798  18.702  -0.536
  137    H2*    G  13           H2*        G  13   4.076  18.153  -2.771
  138   2HO*    G  13          2HO*        G  13   5.341  16.967  -4.143
  139    H1*    G  13           H1*        G  13   4.402  15.323  -2.346
  140    H8     G  13           H8         G  13   2.433  16.317   0.504
  141    H1     G  13           H1         G  13  -1.027  16.360  -4.915
  142   1H2     G  13          H21         G  13   2.037  16.260  -6.503
  143   2H2     G  13          H22         G  13   0.293  16.305  -6.656
  144   1H5*    C  14          1H5*        C  14   6.655  20.679  -4.251
  145   2H5*    C  14          2H5*        C  14   6.948  22.222  -3.428
  146    H4*    C  14           H4*        C  14   5.678  22.701  -5.352
  147    H3*    C  14           H3*        C  14   3.945  22.822  -2.884
  148    H2*    C  14           H2*        C  14   2.168  23.589  -4.337
  149   2HO*    C  14          2HO*        C  14   2.577  24.110  -6.485
  150    H1*    C  14           H1*        C  14   2.657  21.635  -6.281
  151   1H4     C  14          H41         C  14  -0.463  18.527  -1.364
  152   2H4     C  14          H42         C  14  -1.728  19.497  -2.095
  153    H5     C  14           H5         C  14   1.850  18.703  -1.997
  154    H6     C  14           H6         C  14   3.439  19.776  -3.556
  155   1H5*    U  15          1H5*        U  15   2.739  25.851  -5.456
  156   2H5*    U  15          2H5*        U  15   2.272  27.238  -4.454
  157    H4*    U  15           H4*        U  15   0.479  26.205  -5.909
  158    H3*    U  15           H3*        U  15   0.022  26.654  -2.964
  159    H2*    U  15           H2*        U  15  -2.228  25.872  -3.299
  160   2HO*    U  15          2HO*        U  15  -1.749  25.542  -6.070
  161    H1*    U  15           H1*        U  15  -1.464  23.728  -4.957
  162    H3     U  15           H3         U  15  -2.942  21.951  -1.021
  163    H5     U  15           H5         U  15   1.091  22.938  -0.390
  164    H6     U  15           H6         U  15   1.059  24.097  -2.490
  165   1H5*    U  16          1H5*        U  16  -2.837  30.748  -5.345
  166   2H5*    U  16          2H5*        U  16  -4.096  30.416  -4.141
  167    H4*    U  16           H4*        U  16  -5.260  30.524  -6.131
  168    H3*    U  16           H3*        U  16  -5.558  28.221  -4.879
  169    H2*    U  16           H2*        U  16  -3.721  26.991  -5.836
  170   2HO*    U  16          2HO*        U  16  -5.990  26.739  -7.531
  171    H1*    U  16           H1*        U  16  -4.285  28.042  -8.635
  172    H3     U  16           H3         U  16  -0.549  25.630  -9.485
  173    H5     U  16           H5         U  16   0.720  28.768  -6.999
  174    H6     U  16           H6         U  16  -1.596  29.333  -6.662
  175   1H5*    C  17          1H5*        C  17  -7.201  25.446  -6.693
  176   2H5*    C  17          2H5*        C  17  -8.842  26.059  -6.965
  177    H4*    C  17           H4*        C  17  -8.971  23.805  -6.268
  178    H3*    C  17           H3*        C  17 -10.623  25.488  -5.140
  179    H2*    C  17           H2*        C  17  -8.977  26.458  -3.594
  180   2HO*    C  17          2HO*        C  17  -9.589  25.493  -1.504
  181    H1*    C  17           H1*        C  17  -8.354  23.637  -2.617
  182   1H4     C  17          H41         C  17  -3.006  27.315  -1.373
  183   2H4     C  17          H42         C  17  -3.541  26.648   0.161
  184    H5     C  17           H5         C  17  -4.243  27.020  -3.431
  185    H6     C  17           H6         C  17  -6.203  25.988  -4.453
  186   1H5*    G  18          1H5*        G  18 -11.098  24.468  -6.978
  187   2H5*    G  18          2H5*        G  18 -12.763  24.368  -7.580
  188    H4*    G  18           H4*        G  18 -12.246  22.866  -9.140
  189    H3*    G  18           H3*        G  18 -10.510  21.471  -7.123
  190    H2*    G  18           H2*        G  18  -9.146  20.635  -8.859
  191   2HO*    G  18          2HO*        G  18 -10.897  21.143 -10.953
  192    H1*    G  18           H1*        G  18  -9.909  22.729 -10.797
  193    H8     G  18           H8         G  18  -7.674  23.433 -11.716
  194    H1     G  18           H1         G  18  -4.797  22.561  -6.044
  195   1H2     G  18          H21         G  18  -7.924  21.631  -4.927
  196   2H2     G  18          H22         G  18  -6.232  21.878  -4.557
  197   1H5*    G  19          1H5*        G  19 -10.057  17.018  -7.143
  198   2H5*    G  19          2H5*        G  19  -8.999  17.933  -6.065
  199    H4*    G  19           H4*        G  19  -9.308  18.320  -9.034
  200    H3*    G  19           H3*        G  19  -7.317  16.761  -7.503
  201    H2*    G  19           H2*        G  19  -5.434  17.833  -8.533
  202   2HO*    G  19          2HO*        G  19  -7.389  18.484 -10.428
  203    H1*    G  19           H1*        G  19  -6.324  20.425  -8.424
  204    H8     G  19           H8         G  19  -7.879  19.031  -5.382
  205    H1     G  19           H1         G  19  -1.609  20.116  -4.713
  206   1H2     G  19          H21         G  19  -1.603  20.510  -8.134
  207   2H2     G  19          H22         G  19  -0.717  20.526  -6.613
  208   1H5*    C  20          1H5*        C  20  -6.105  16.602 -11.273
  209   2H5*    C  20          2H5*        C  20  -5.656  15.018 -11.938
  210    H4*    C  20           H4*        C  20  -3.794  16.459 -12.179
  211    H3*    C  20           H3*        C  20  -3.483  14.264 -10.198
  212    H2*    C  20           H2*        C  20  -1.413  15.141  -9.364
  213   2HO*    C  20          2HO*        C  20  -0.462  16.987 -10.521
  214    H1*    C  20           H1*        C  20  -2.103  17.843  -9.358
  215   1H4     C  20          H41         C  20  -5.178  15.441  -4.027
  216   2H4     C  20          H42         C  20  -3.807  16.378  -3.457
  217    H5     C  20           H5         C  20  -5.621  15.057  -6.396
  218    H6     C  20           H6         C  20  -4.752  15.447  -8.674
  219   1H5*    C  21          1H5*        C  21   0.128  13.901 -11.592
  220   2H5*    C  21          2H5*        C  21   0.345  12.321 -12.371
  221    H4*    C  21           H4*        C  21   2.034  12.428 -10.773
  222    H3*    C  21           H3*        C  21  -0.253  10.820  -9.630
  223    H2*    C  21           H2*        C  21   1.030  10.551  -7.648
  224   2HO*    C  21          2HO*        C  21   2.936  10.044  -9.172
  225    H1*    C  21           H1*        C  21   2.467  13.080  -8.022
  226   1H4     C  21          H41         C  21  -2.338  13.998  -3.555
  227   2H4     C  21          H42         C  21  -0.952  13.448  -2.624
  228    H5     C  21           H5         C  21  -2.322  14.064  -5.979
  229    H6     C  21           H6         C  21  -1.001  13.627  -7.974
  230   1H5*    U  22          1H5*        U  22   2.192   8.463  -8.067
  231   2H5*    U  22          2H5*        U  22   1.394   6.880  -8.049
  232    H4*    U  22           H4*        U  22   1.555   8.302  -5.877
  233    H3*    U  22           H3*        U  22  -0.784   6.655  -6.763
  234    H2*    U  22           H2*        U  22  -2.109   7.489  -4.953
  235   2HO*    U  22          2HO*        U  22  -0.716   7.411  -3.241
  236    H1*    U  22           H1*        U  22  -1.200  10.152  -5.061
  237    H3     U  22           H3         U  22  -5.615   9.982  -6.278
  238    H5     U  22           H5         U  22  -3.397   9.426  -9.800
  239    H6     U  22           H6         U  22  -1.430   9.189  -8.433
  240   1H5*    G  23          1H5*        G  23   1.424   2.379  -4.707
  241   2H5*    G  23          2H5*        G  23   0.184   3.647  -4.743
  242    H4*    G  23           H4*        G  23   2.224   3.458  -2.546
  243    H3*    G  23           H3*        G  23  -0.292   1.850  -2.803
  244    H2*    G  23           H2*        G  23  -0.792   2.259  -0.481
  245   2HO*    G  23          2HO*        G  23   1.258   3.919   0.156
  246    H1*    G  23           H1*        G  23  -0.252   4.985  -0.555
  247    H8     G  23           H8         G  23  -1.614   4.708  -3.872
  248    H1     G  23           H1         G  23  -6.172   3.774   0.541
  249   1H2     G  23          H21         G  23  -3.548   3.382   2.758
  250   2H2     G  23          H22         G  23  -5.281   3.396   2.504
  251   1H5*    C  24          1H5*        C  24  -0.399  -2.063  -0.529
  252   2H5*    C  24          2H5*        C  24  -1.844  -1.056  -0.324
  253    H4*    C  24           H4*        C  24   0.931  -0.089   0.319
  254    H3*    C  24           H3*        C  24  -0.876  -1.706   2.084
  255    H2*    C  24           H2*        C  24  -0.317  -0.276   3.941
  256   2HO*    C  24          2HO*        C  24   1.285   1.404   3.604
  257    H1*    C  24           H1*        C  24  -0.605   2.113   2.546
  258   1H4     C  24          H41         C  24  -6.835   0.240   3.494
  259   2H4     C  24          H42         C  24  -6.303   0.716   5.094
  260    H5     C  24           H5         C  24  -5.331   0.093   1.602
  261    H6     C  24           H6         C  24  -3.025   0.347   0.864
  262   1H5*    U  25          1H5*        U  25  -0.184  -2.535   4.509
  263   2H5*    U  25          2H5*        U  25   0.125  -4.269   4.725
  264    H4*    U  25           H4*        U  25  -1.962  -3.575   5.771
  265    H3*    U  25           H3*        U  25  -2.124  -5.567   3.530
  266    H2*    U  25           H2*        U  25  -4.524  -5.606   3.778
  267   2HO*    U  25          2HO*        U  25  -5.519  -4.796   5.560
  268    H1*    U  25           H1*        U  25  -4.828  -2.854   3.923
  269    H3     U  25           H3         U  25  -6.199  -3.812  -0.276
  270    H5     U  25           H5         U  25  -2.010  -3.937  -0.493
  271    H6     U  25           H6         U  25  -1.953  -3.718   1.903
  272   1H5*    U  26          1H5*        U  26  -4.802  -6.500   6.307
  273   2H5*    U  26          2H5*        U  26  -4.625  -8.157   6.915
  274    H4*    U  26           H4*        U  26  -6.919  -7.776   6.414
  275    H3*    U  26           H3*        U  26  -5.554  -9.651   4.501
  276    H2*    U  26           H2*        U  26  -7.646  -9.897   3.327
  277   2HO*    U  26          2HO*        U  26  -9.372  -9.827   4.572
  278    H1*    U  26           H1*        U  26  -8.283  -7.173   3.353
  279    H3     U  26           H3         U  26  -7.147  -8.218  -0.934
  280    H5     U  26           H5         U  26  -3.515  -7.461   1.034
  281    H6     U  26           H6         U  26  -4.739  -7.404   3.105
  282   1H5*    U  27          1H5*        U  27  -8.963 -11.723   6.018
  283   2H5*    U  27          2H5*        U  27  -8.661 -13.464   6.173
  284    H4*    U  27           H4*        U  27 -10.591 -12.861   4.725
  285    H3*    U  27           H3*        U  27  -8.349 -14.514   3.570
  286    H2*    U  27           H2*        U  27  -9.644 -14.653   1.530
  287   2HO*    U  27          2HO*        U  27 -11.763 -14.522   1.677
  288    H1*    U  27           H1*        U  27 -10.239 -11.928   1.470
  289    H3     U  27           H3         U  27  -7.062 -12.970  -1.692
  290    H5     U  27           H5         U  27  -4.969 -11.987   1.797
  291    H6     U  27           H6         U  27  -7.039 -12.015   2.981
  292   1H5*    U  28          1H5*        U  28 -12.332 -16.527   3.205
  293   2H5*    U  28          2H5*        U  28 -12.092 -18.285   3.249
  294    H4*    U  28           H4*        U  28 -13.466 -17.461   1.345
  295    H3*    U  28           H3*        U  28 -11.007 -19.110   0.831
  296    H2*    U  28           H2*        U  28 -11.420 -18.925  -1.542
  297   2HO*    U  28          2HO*        U  28 -13.517 -17.287  -1.647
  298    H1*    U  28           H1*        U  28 -11.907 -16.191  -1.509
  299    H3     U  28           H3         U  28  -7.722 -16.694  -3.215
  300    H5     U  28           H5         U  28  -7.227 -16.811   0.954
  301    H6     U  28           H6         U  28  -9.624 -16.898   1.160
  302   1H5*    G  29          1H5*        G  29 -13.088 -21.732  -1.108
  303   2H5*    G  29          2H5*        G  29 -13.065 -23.342  -0.361
  304    H4*    G  29           H4*        G  29 -12.094 -23.647  -2.454
  305    H3*    G  29           H3*        G  29 -10.029 -23.544  -0.290
  306    H2*    G  29           H2*        G  29  -8.266 -23.472  -1.850
  307   2HO*    G  29          2HO*        G  29  -9.753 -24.214  -4.076
  308    H1*    G  29           H1*        G  29  -9.789 -22.335  -4.050
  309    H8     G  29           H8         G  29  -9.452 -20.240  -0.913
  310    H1     G  29           H1         G  29  -4.736 -19.525  -5.202
  311   1H2     G  29          H21         G  29  -6.155 -22.257  -6.771
  312   2H2     G  29          H22         G  29  -4.889 -21.049  -6.768
  313   1H5*    C  30          1H5*        C  30  -9.109 -26.851  -3.191
  314   2H5*    C  30          2H5*        C  30  -8.262 -28.094  -2.251
  315    H4*    C  30           H4*        C  30  -7.028 -27.275  -4.247
  316    H3*    C  30           H3*        C  30  -5.764 -27.119  -1.526
  317    H2*    C  30           H2*        C  30  -3.819 -26.106  -2.511
  318   2HO*    C  30          2HO*        C  30  -4.579 -27.562  -4.604
  319    H1*    C  30           H1*        C  30  -5.233 -24.440  -4.296
  320   1H4     C  30          H41         C  30  -5.271 -21.358   1.542
  321   2H4     C  30          H42         C  30  -4.092 -20.529   0.541
  322    H5     C  30           H5         C  30  -6.435 -23.348   0.824
  323    H6     C  30           H6         C  30  -6.720 -24.944  -0.995
  324   1H5*    U  31          1H5*        U  31  -2.857 -28.753  -4.067
  325   2H5*    U  31          2H5*        U  31  -2.118 -30.174  -3.302
  326    H4*    U  31           H4*        U  31  -0.500 -28.472  -4.107
  327    H3*    U  31           H3*        U  31  -0.499 -29.300  -1.218
  328    H2*    U  31           H2*        U  31   1.330 -27.792  -0.820
  329   2HO*    U  31          2HO*        U  31   1.660 -28.153  -3.527
  330    H1*    U  31           H1*        U  31   0.283 -25.688  -2.361
  331    H3     U  31           H3         U  31   0.140 -24.550   2.078
  332    H5     U  31           H5         U  31  -3.475 -26.523   1.252
  333    H6     U  31           H6         U  31  -2.554 -27.154  -0.881
  334    H3T    U  31           H3T        U  31   1.682 -29.756  -2.659
  Start of MODEL   19
    1   1H5*    A   1          1H5*        A   1   5.525 -15.886   8.250
    2   2H5*    A   1          2H5*        A   1   5.304 -14.405   7.302
    3    H4*    A   1           H4*        A   1   6.630 -15.827   5.995
    4    H3*    A   1           H3*        A   1   3.794 -15.732   5.005
    5    H2*    A   1           H2*        A   1   4.398 -17.265   3.248
    6   2HO*    A   1          2HO*        A   1   6.990 -16.472   4.021
    7    H1*    A   1           H1*        A   1   5.893 -18.972   4.886
    8    H8     A   1           H8         A   1   3.182 -18.240   7.171
    9   1H6     A   1          H61         A   1  -0.512 -21.954   3.867
   10   2H6     A   1          H62         A   1  -0.325 -21.092   5.379
   11    H2     A   1           H2         A   1   3.166 -21.133   1.440
   12    H5T    A   1           H5T        A   1   3.293 -14.856   7.909
   13   1H5*    G   2          1H5*        G   2   5.976 -15.746   1.650
   14   2H5*    G   2          2H5*        G   2   5.818 -14.151   0.887
   15    H4*    G   2           H4*        G   2   5.663 -15.751  -0.836
   16    H3*    G   2           H3*        G   2   2.969 -14.586  -0.160
   17    H2*    G   2           H2*        G   2   1.997 -15.970  -1.851
   18   2HO*    G   2          2HO*        G   2   3.427 -17.125  -3.316
   19    H1*    G   2           H1*        G   2   3.689 -18.216  -1.371
   20    H8     G   2           H8         G   2   2.533 -17.323   1.957
   21    H1     G   2           H1         G   2  -2.149 -19.943  -1.557
   22   1H2     G   2          H21         G   2  -0.044 -19.389  -4.247
   23   2H2     G   2          H22         G   2  -1.578 -19.998  -3.676
   24   1H5*    U   3          1H5*        U   3   4.080 -14.001  -4.587
   25   2H5*    U   3          2H5*        U   3   3.167 -12.586  -5.146
   26    H4*    U   3           H4*        U   3   2.928 -14.609  -6.568
   27    H3*    U   3           H3*        U   3   0.492 -13.292  -5.401
   28    H2*    U   3           H2*        U   3  -0.878 -14.965  -6.460
   29   2HO*    U   3          2HO*        U   3   0.774 -16.619  -7.623
   30    H1*    U   3           H1*        U   3   0.725 -17.130  -5.742
   31    H3     U   3           H3         U   3  -2.843 -17.513  -3.001
   32    H5     U   3           H5         U   3  -0.563 -14.416  -1.314
   33    H6     U   3           H6         U   3   0.843 -14.493  -3.264
   34   1H5*    A   4          1H5*        A   4  -0.113 -13.687  -9.930
   35   2H5*    A   4          2H5*        A   4  -0.275 -11.968 -10.337
   36    H4*    A   4           H4*        A   4  -1.846 -13.071 -11.654
   37    H3*    A   4           H3*        A   4  -3.121 -11.655  -9.359
   38    H2*    A   4           H2*        A   4  -5.292 -12.533  -9.972
   39   2HO*    A   4          2HO*        A   4  -5.427 -12.760 -12.116
   40    H1*    A   4           H1*        A   4  -4.512 -15.123 -10.056
   41    H8     A   4           H8         A   4  -1.940 -13.801  -7.771
   42   1H6     A   4          H61         A   4  -6.111 -14.119  -3.213
   43   2H6     A   4          H62         A   4  -4.418 -13.916  -3.599
   44    H2     A   4           H2         A   4  -8.269 -14.607  -7.124
   45   1H5*    G   5          1H5*        G   5  -5.170  -9.190 -12.431
   46   2H5*    G   5          2H5*        G   5  -5.165  -7.575 -11.699
   47    H4*    G   5           H4*        G   5  -7.417  -8.557 -12.053
   48    H3*    G   5           H3*        G   5  -6.636  -7.684  -9.283
   49    H2*    G   5           H2*        G   5  -8.818  -8.434  -8.515
   50   2HO*    G   5          2HO*        G   5  -9.332  -8.299 -11.243
   51    H1*    G   5           H1*        G   5  -8.687 -10.897  -9.761
   52    H8     G   5           H8         G   5  -5.146 -10.149  -8.949
   53    H1     G   5           H1         G   5  -8.574 -12.024  -3.864
   54   1H2     G   5          H21         G   5 -11.313 -11.550  -5.905
   55   2H2     G   5          H22         G   5 -10.705 -12.013  -4.331
   56   1H5*    A   6          1H5*        A   6 -10.262  -7.035 -10.189
   57   2H5*    A   6          2H5*        A   6 -11.131  -5.563  -9.718
   58    H4*    A   6           H4*        A   6 -12.134  -7.749  -8.967
   59    H3*    A   6           H3*        A   6 -12.326  -5.379  -7.641
   60    H2*    A   6           H2*        A   6 -10.564  -5.666  -6.056
   61   2HO*    A   6          2HO*        A   6 -12.962  -6.753  -5.177
   62    H1*    A   6           H1*        A   6 -11.118  -8.681  -5.861
   63    H8     A   6           H8         A   6  -7.962  -7.070  -7.261
   64   1H6     A   6          H61         A   6  -5.348  -8.564  -1.850
   65   2H6     A   6          H62         A   6  -5.059  -7.956  -3.471
   66    H2     A   6           H2         A   6  -9.751  -9.342  -1.528
   67   1H5*    A   7          1H5*        A   7 -14.599  -7.556  -4.343
   68   2H5*    A   7          2H5*        A   7 -16.069  -6.574  -4.187
   69    H4*    A   7           H4*        A   7 -15.174  -6.609  -2.045
   70    H3*    A   7           H3*        A   7 -14.462  -4.017  -3.382
   71    H2*    A   7           H2*        A   7 -13.054  -3.432  -1.576
   72   2HO*    A   7          2HO*        A   7 -14.566  -5.311  -0.043
   73    H1*    A   7           H1*        A   7 -12.599  -6.195  -0.680
   74    H8     A   7           H8         A   7 -11.298  -5.039  -4.065
   75   1H6     A   7          H61         A   7  -5.933  -3.982  -1.177
   76   2H6     A   7          H62         A   7  -6.741  -4.052  -2.727
   77    H2     A   7           H2         A   7  -9.010  -4.983   1.929
   78   1H5*    A   8          1H5*        A   8 -16.106  -0.218  -0.322
   79   2H5*    A   8          2H5*        A   8 -14.541  -0.707  -0.999
   80    H4*    A   8           H4*        A   8 -15.474  -0.973   1.854
   81    H3*    A   8           H3*        A   8 -13.498   0.873   0.554
   82    H2*    A   8           H2*        A   8 -12.067   0.674   2.481
   83   2HO*    A   8          2HO*        A   8 -14.008  -0.978   3.733
   84    H1*    A   8           H1*        A   8 -12.322  -2.088   2.745
   85    H8     A   8           H8         A   8 -12.288  -1.326  -0.920
   86   1H6     A   8          H61         A   8  -6.106  -1.315  -0.557
   87   2H6     A   8          H62         A   8  -7.481  -1.293  -1.635
   88    H2     A   8           H2         A   8  -7.749  -1.405   3.621
   89   1H5*    C   9          1H5*        C   9 -14.028   2.802   5.349
   90   2H5*    C   9          2H5*        C   9 -13.853   4.357   4.512
   91    H4*    C   9           H4*        C   9 -12.204   3.669   6.411
   92    H3*    C   9           H3*        C   9 -11.541   5.142   3.890
   93    H2*    C   9           H2*        C   9  -9.198   5.035   4.407
   94   2HO*    C   9          2HO*        C   9  -9.929   3.878   6.915
   95    H1*    C   9           H1*        C   9  -9.172   2.376   5.245
   96   1H4     C   9          H41         C   9  -9.476   2.060  -1.339
   97   2H4     C   9          H42         C   9  -7.785   1.845  -0.909
   98    H5     C   9           H5         C   9 -11.197   2.577   0.295
   99    H6     C   9           H6         C   9 -11.636   2.989   2.656
  100   1H5*    A  10          1H5*        A  10  -9.432   8.356   7.368
  101   2H5*    A  10          2H5*        A  10  -8.845   9.261   5.959
  102    H4*    A  10           H4*        A  10  -7.379   7.665   7.783
  103    H3*    A  10           H3*        A  10  -6.643   9.361   5.427
  104    H2*    A  10           H2*        A  10  -4.521   8.246   5.251
  105   2HO*    A  10          2HO*        A  10  -5.229   7.317   7.838
  106    H1*    A  10           H1*        A  10  -5.481   5.663   5.613
  107    H8     A  10           H8         A  10  -8.235   6.911   3.628
  108   1H6     A  10          H61         A  10  -4.621   6.681  -1.394
  109   2H6     A  10          H62         A  10  -6.265   6.837  -0.815
  110    H2     A  10           H2         A  10  -2.002   6.299   2.225
  111   1H5*    A  11          1H5*        A  11  -3.181  12.551   7.545
  112   2H5*    A  11          2H5*        A  11  -3.305  12.764   5.787
  113    H4*    A  11           H4*        A  11  -1.172  11.646   7.374
  114    H3*    A  11           H3*        A  11  -1.417  12.841   4.687
  115    H2*    A  11           H2*        A  11   0.160  11.383   3.645
  116   2HO*    A  11          2HO*        A  11   0.920  10.957   6.331
  117    H1*    A  11           H1*        A  11  -0.603   9.004   4.791
  118    H8     A  11           H8         A  11  -3.912  10.522   4.655
  119   1H6     A  11          H61         A  11  -4.063   9.401  -1.429
  120   2H6     A  11          H62         A  11  -5.009   9.854  -0.029
  121    H2     A  11           H2         A  11   0.153   8.827  -0.016
  122   1H5*    G  12          1H5*        G  12   2.612  12.281   4.862
  123   2H5*    G  12          2H5*        G  12   3.326  13.887   5.108
  124    H4*    G  12           H4*        G  12   4.667  12.937   3.486
  125    H3*    G  12           H3*        G  12   2.718  14.849   2.294
  126    H2*    G  12           H2*        G  12   3.315  14.213   0.062
  127   2HO*    G  12          2HO*        G  12   5.095  12.405   0.111
  128    H1*    G  12           H1*        G  12   3.363  11.497   0.443
  129    H8     G  12           H8         G  12   0.758  13.345   2.552
  130    H1     G  12           H1         G  12  -1.276  11.297  -3.177
  131   1H2     G  12          H21         G  12   2.038  10.453  -3.717
  132   2H2     G  12          H22         G  12   0.405  10.501  -4.342
  133   1H5*    G  13          1H5*        G  13   6.211  14.752  -0.081
  134   2H5*    G  13          2H5*        G  13   6.888  16.391  -0.019
  135    H4*    G  13           H4*        G  13   7.011  15.746  -2.261
  136    H3*    G  13           H3*        G  13   4.769  17.665  -1.765
  137    H2*    G  13           H2*        G  13   4.106  17.499  -4.082
  138   2HO*    G  13          2HO*        G  13   6.096  17.383  -5.107
  139    H1*    G  13           H1*        G  13   4.182  14.752  -4.201
  140    H8     G  13           H8         G  13   3.267  16.042  -0.741
  141    H1     G  13           H1         G  13  -1.699  15.063  -4.681
  142   1H2     G  13          H21         G  13   0.708  14.559  -7.113
  143   2H2     G  13          H22         G  13  -0.994  14.632  -6.709
  144   1H5*    C  14          1H5*        C  14   6.974  19.310  -5.179
  145   2H5*    C  14          2H5*        C  14   6.802  21.076  -5.157
  146    H4*    C  14           H4*        C  14   5.966  19.962  -7.221
  147    H3*    C  14           H3*        C  14   4.076  21.678  -5.614
  148    H2*    C  14           H2*        C  14   2.436  21.289  -7.363
  149   2HO*    C  14          2HO*        C  14   4.435  19.711  -8.659
  150    H1*    C  14           H1*        C  14   2.775  18.548  -7.312
  151   1H4     C  14          H41         C  14  -0.187  20.109  -1.621
  152   2H4     C  14          H42         C  14  -1.474  20.151  -2.810
  153    H5     C  14           H5         C  14   2.129  19.788  -2.205
  154    H6     C  14           H6         C  14   3.694  19.426  -4.044
  155   1H5*    U  15          1H5*        U  15   2.602  22.851  -9.031
  156   2H5*    U  15          2H5*        U  15   2.426  24.611  -8.898
  157    H4*    U  15           H4*        U  15   0.301  23.307  -9.157
  158    H3*    U  15           H3*        U  15   0.650  25.216  -6.855
  159    H2*    U  15           H2*        U  15  -1.661  24.735  -6.259
  160   2HO*    U  15          2HO*        U  15  -2.841  23.235  -7.609
  161    H1*    U  15           H1*        U  15  -1.311  21.993  -6.399
  162    H3     U  15           H3         U  15  -1.240  23.397  -2.005
  163    H5     U  15           H5         U  15   2.747  23.317  -3.323
  164    H6     U  15           H6         U  15   1.923  22.997  -5.558
  165   1H5*    U  16          1H5*        U  16  -2.327  26.455 -10.519
  166   2H5*    U  16          2H5*        U  16  -2.394  28.213 -10.293
  167    H4*    U  16           H4*        U  16  -4.593  28.200 -10.247
  168    H3*    U  16           H3*        U  16  -4.373  27.165  -7.786
  169    H2*    U  16           H2*        U  16  -4.200  24.840  -8.475
  170   2HO*    U  16          2HO*        U  16  -5.921  24.305  -7.352
  171    H1*    U  16           H1*        U  16  -6.463  25.432 -10.483
  172    H3     U  16           H3         U  16  -6.502  21.043 -11.488
  173    H5     U  16           H5         U  16  -2.479  22.140 -11.958
  174    H6     U  16           H6         U  16  -3.039  24.303 -11.074
  175   1H5*    C  17          1H5*        C  17  -7.548  25.071  -6.945
  176   2H5*    C  17          2H5*        C  17  -8.682  26.323  -6.408
  177    H4*    C  17           H4*        C  17  -8.511  24.325  -4.910
  178    H3*    C  17           H3*        C  17  -9.199  26.675  -4.055
  179    H2*    C  17           H2*        C  17  -6.946  27.616  -3.810
  180   2HO*    C  17          2HO*        C  17  -7.486  26.273  -1.342
  181    H1*    C  17           H1*        C  17  -6.073  25.053  -2.395
  182   1H4     C  17          H41         C  17  -0.730  27.834  -5.141
  183   2H4     C  17          H42         C  17  -0.470  27.848  -3.408
  184    H5     C  17           H5         C  17  -2.813  27.080  -6.148
  185    H6     C  17           H6         C  17  -5.032  26.178  -5.689
  186   1H5*    G  18          1H5*        G  18 -10.439  24.543  -5.146
  187   2H5*    G  18          2H5*        G  18 -12.134  24.973  -4.874
  188    H4*    G  18           H4*        G  18 -12.888  22.830  -5.190
  189    H3*    G  18           H3*        G  18 -10.215  21.799  -4.378
  190    H2*    G  18           H2*        G  18 -10.344  19.991  -5.944
  191   2HO*    G  18          2HO*        G  18 -12.357  19.301  -6.245
  192    H1*    G  18           H1*        G  18 -10.893  21.541  -8.100
  193    H8     G  18           H8         G  18  -8.971  22.662  -9.133
  194    H1     G  18           H1         G  18  -5.544  22.396  -3.739
  195   1H2     G  18          H21         G  18  -8.542  21.380  -2.230
  196   2H2     G  18          H22         G  18  -6.841  21.744  -2.032
  197   1H5*    G  19          1H5*        G  19 -10.438  17.251  -3.601
  198   2H5*    G  19          2H5*        G  19  -8.751  17.754  -3.434
  199    H4*    G  19           H4*        G  19 -10.588  18.008  -5.785
  200    H3*    G  19           H3*        G  19  -8.143  16.446  -5.306
  201    H2*    G  19           H2*        G  19  -6.989  17.210  -7.264
  202   2HO*    G  19          2HO*        G  19  -9.046  17.114  -8.524
  203    H1*    G  19           H1*        G  19  -7.576  19.897  -7.058
  204    H8     G  19           H8         G  19  -7.722  19.335  -3.540
  205    H1     G  19           H1         G  19  -1.679  18.714  -5.563
  206   1H2     G  19          H21         G  19  -3.031  18.605  -8.730
  207   2H2     G  19          H22         G  19  -1.588  18.564  -7.729
  208   1H5*    C  20          1H5*        C  20  -8.854  15.180  -9.090
  209   2H5*    C  20          2H5*        C  20  -8.803  13.411  -9.224
  210    H4*    C  20           H4*        C  20  -7.114  14.388 -10.624
  211    H3*    C  20           H3*        C  20  -6.206  12.721  -8.328
  212    H2*    C  20           H2*        C  20  -3.908  13.305  -8.685
  213   2HO*    C  20          2HO*        C  20  -4.848  13.721 -11.214
  214    H1*    C  20           H1*        C  20  -4.270  15.998  -9.155
  215   1H4     C  20          H41         C  20  -5.073  15.435  -2.638
  216   2H4     C  20          H42         C  20  -3.453  16.049  -2.872
  217    H5     C  20           H5         C  20  -6.517  14.787  -4.438
  218    H6     C  20           H6         C  20  -6.745  14.617  -6.847
  219   1H5*    C  21          1H5*        C  21  -3.266  12.489 -11.121
  220   2H5*    C  21          2H5*        C  21  -3.193  10.809 -11.689
  221    H4*    C  21           H4*        C  21  -0.981  11.485 -11.277
  222    H3*    C  21           H3*        C  21  -2.076   9.515  -9.349
  223    H2*    C  21           H2*        C  21  -0.245   9.735  -7.839
  224   2HO*    C  21          2HO*        C  21   1.023  10.989 -10.064
  225    H1*    C  21           H1*        C  21   0.184  12.487  -8.087
  226   1H4     C  21          H41         C  21  -4.953  11.824  -3.966
  227   2H4     C  21          H42         C  21  -3.553  12.160  -2.961
  228    H5     C  21           H5         C  21  -4.805  11.507  -6.366
  229    H6     C  21           H6         C  21  -3.268  11.450  -8.281
  230   1H5*    U  22          1H5*        U  22  -1.032   5.312  -9.187
  231   2H5*    U  22          2H5*        U  22  -2.206   5.887  -7.989
  232    H4*    U  22           H4*        U  22   0.752   5.691  -7.843
  233    H3*    U  22           H3*        U  22  -1.519   4.983  -6.036
  234    H2*    U  22           H2*        U  22  -0.230   5.540  -4.091
  235   2HO*    U  22          2HO*        U  22   2.067   6.261  -4.594
  236    H1*    U  22           H1*        U  22   0.880   7.893  -5.075
  237    H3     U  22           H3         U  22  -2.262   9.197  -2.076
  238    H5     U  22           H5         U  22  -4.370   8.522  -5.643
  239    H6     U  22           H6         U  22  -2.355   7.580  -6.561
  240   1H5*    G  23          1H5*        G  23   1.711   1.523  -3.899
  241   2H5*    G  23          2H5*        G  23   0.134   0.867  -3.419
  242    H4*    G  23           H4*        G  23   2.098   2.212  -1.840
  243    H3*    G  23           H3*        G  23  -0.368   0.649  -1.286
  244    H2*    G  23           H2*        G  23  -0.784   1.783   0.786
  245   2HO*    G  23          2HO*        G  23   0.889   3.471   1.370
  246    H1*    G  23           H1*        G  23  -0.358   4.347  -0.104
  247    H8     G  23           H8         G  23  -1.607   3.071  -3.230
  248    H1     G  23           H1         G  23  -6.268   3.326   1.167
  249   1H2     G  23          H21         G  23  -3.696   3.683   3.451
  250   2H2     G  23          H22         G  23  -5.420   3.569   3.169
  251   1H5*    C  24          1H5*        C  24   2.103   0.671   2.902
  252   2H5*    C  24          2H5*        C  24   2.122  -1.103   2.930
  253    H4*    C  24           H4*        C  24   1.430  -0.125   5.066
  254    H3*    C  24           H3*        C  24  -0.475  -1.923   3.607
  255    H2*    C  24           H2*        C  24  -2.113  -1.590   5.340
  256   2HO*    C  24          2HO*        C  24  -1.325  -0.057   7.120
  257    H1*    C  24           H1*        C  24  -1.771   1.169   5.533
  258   1H4     C  24          H41         C  24  -5.219   0.171  -0.018
  259   2H4     C  24          H42         C  24  -6.367   0.692   1.202
  260    H5     C  24           H5         C  24  -2.881  -0.228   0.466
  261    H6     C  24           H6         C  24  -1.174  -0.213   2.208
  262   1H5*    U  25          1H5*        U  25  -1.301  -3.135   6.911
  263   2H5*    U  25          2H5*        U  25  -1.010  -4.863   7.194
  264    H4*    U  25           H4*        U  25  -3.296  -4.316   7.695
  265    H3*    U  25           H3*        U  25  -2.910  -6.078   5.286
  266    H2*    U  25           H2*        U  25  -5.315  -6.178   5.073
  267   2HO*    U  25          2HO*        U  25  -6.641  -5.594   6.705
  268    H1*    U  25           H1*        U  25  -5.703  -3.443   5.455
  269    H3     U  25           H3         U  25  -6.413  -3.814   1.030
  270    H5     U  25           H5         U  25  -2.257  -4.264   1.421
  271    H6     U  25           H6         U  25  -2.557  -4.270   3.810
  272   1H5*    U  26          1H5*        U  26  -5.859  -8.195   7.578
  273   2H5*    U  26          2H5*        U  26  -5.507  -9.922   7.378
  274    H4*    U  26           H4*        U  26  -7.786  -9.229   6.658
  275    H3*    U  26           H3*        U  26  -5.966 -10.572   4.665
  276    H2*    U  26           H2*        U  26  -7.747 -10.450   3.066
  277   2HO*    U  26          2HO*        U  26  -9.744 -10.643   3.759
  278    H1*    U  26           H1*        U  26  -8.665  -7.884   3.907
  279    H3     U  26           H3         U  26  -7.313  -7.664  -0.464
  280    H5     U  26           H5         U  26  -3.868  -7.057   1.860
  281    H6     U  26           H6         U  26  -5.149  -7.709   3.790
  282   1H5*    U  27          1H5*        U  27  -9.802 -12.553   5.225
  283   2H5*    U  27          2H5*        U  27  -9.702 -14.310   4.999
  284    H4*    U  27           H4*        U  27 -11.508 -13.198   3.707
  285    H3*    U  27           H3*        U  27  -9.439 -14.864   2.315
  286    H2*    U  27           H2*        U  27 -10.472 -14.354   0.193
  287   2HO*    U  27          2HO*        U  27 -12.575 -13.643   1.876
  288    H1*    U  27           H1*        U  27 -10.672 -11.632   0.642
  289    H3     U  27           H3         U  27  -7.110 -12.350  -2.130
  290    H5     U  27           H5         U  27  -5.594 -12.616   1.774
  291    H6     U  27           H6         U  27  -7.859 -12.627   2.573
  292   1H5*    U  28          1H5*        U  28 -13.515 -16.460   0.923
  293   2H5*    U  28          2H5*        U  28 -13.221 -18.207   0.824
  294    H4*    U  28           H4*        U  28 -14.201 -17.220  -1.223
  295    H3*    U  28           H3*        U  28 -11.593 -18.699  -1.371
  296    H2*    U  28           H2*        U  28 -11.503 -18.255  -3.743
  297   2HO*    U  28          2HO*        U  28 -14.206 -17.646  -3.293
  298    H1*    U  28           H1*        U  28 -12.134 -15.561  -3.529
  299    H3     U  28           H3         U  28  -7.654 -15.665  -4.241
  300    H5     U  28           H5         U  28  -8.116 -16.328  -0.119
  301    H6     U  28           H6         U  28 -10.483 -16.546  -0.499
  302   1H5*    G  29          1H5*        G  29 -12.913 -21.062  -3.970
  303   2H5*    G  29          2H5*        G  29 -12.977 -22.762  -3.466
  304    H4*    G  29           H4*        G  29 -11.471 -22.784  -5.218
  305    H3*    G  29           H3*        G  29  -9.940 -22.693  -2.633
  306    H2*    G  29           H2*        G  29  -7.907 -22.469  -3.826
  307   2HO*    G  29          2HO*        G  29  -8.443 -22.949  -6.348
  308    H1*    G  29           H1*        G  29  -9.084 -21.209  -6.172
  309    H8     G  29           H8         G  29  -9.455 -19.349  -2.905
  310    H1     G  29           H1         G  29  -4.010 -18.167  -6.082
  311   1H2     G  29          H21         G  29  -4.961 -20.792  -8.110
  312   2H2     G  29          H22         G  29  -3.786 -19.544  -7.760
  313   1H5*    C  30          1H5*        C  30  -7.966 -25.300  -5.399
  314   2H5*    C  30          2H5*        C  30  -7.502 -26.754  -4.494
  315    H4*    C  30           H4*        C  30  -5.626 -25.790  -5.723
  316    H3*    C  30           H3*        C  30  -5.391 -25.812  -2.718
  317    H2*    C  30           H2*        C  30  -3.183 -24.895  -2.971
  318   2HO*    C  30          2HO*        C  30  -3.538 -25.858  -5.598
  319    H1*    C  30           H1*        C  30  -3.901 -23.129  -5.080
  320   1H4     C  30          H41         C  30  -5.418 -20.028   0.533
  321   2H4     C  30          H42         C  30  -3.810 -19.472   0.093
  322    H5     C  30           H5         C  30  -6.585 -21.764  -0.682
  323    H6     C  30           H6         C  30  -6.433 -23.349  -2.527
  324   1H5*    U  31          1H5*        U  31  -1.807 -27.132  -3.897
  325   2H5*    U  31          2H5*        U  31  -1.746 -28.871  -3.548
  326    H4*    U  31           H4*        U  31   0.352 -28.121  -2.931
  327    H3*    U  31           H3*        U  31  -1.357 -28.260  -0.453
  328    H2*    U  31           H2*        U  31   0.525 -27.499   0.814
  329   2HO*    U  31          2HO*        U  31   2.234 -28.631   0.062
  330    H1*    U  31           H1*        U  31   1.463 -25.693  -1.194
  331    H3     U  31           H3         U  31   0.504 -22.911   2.216
  332    H5     U  31           H5         U  31  -3.257 -24.154   0.821
  333    H6     U  31           H6         U  31  -2.122 -25.711  -0.623
  334    H3T    U  31           H3T        U  31   0.865 -29.791  -1.160
  Start of MODEL   20
    1   1H5*    A   1          1H5*        A   1   3.093 -16.273   6.572
    2   2H5*    A   1          2H5*        A   1   2.347 -14.858   5.808
    3    H4*    A   1           H4*        A   1   4.421 -15.525   4.711
    4    H3*    A   1           H3*        A   1   1.881 -15.572   3.119
    5    H2*    A   1           H2*        A   1   3.108 -16.383   1.203
    6   2HO*    A   1          2HO*        A   1   5.082 -15.067   2.230
    7    H1*    A   1           H1*        A   1   4.476 -18.357   2.572
    8    H8     A   1           H8         A   1   1.116 -17.925   4.217
    9   1H6     A   1          H61         A   1  -1.091 -21.910   0.023
   10   2H6     A   1          H62         A   1  -1.442 -21.033   1.494
   11    H2     A   1           H2         A   1   3.094 -20.809  -1.167
   12    H5T    A   1           H5T        A   1   0.773 -16.411   6.192
   13   1H5*    G   2          1H5*        G   2   4.607 -14.173   0.597
   14   2H5*    G   2          2H5*        G   2   4.183 -12.559  -0.009
   15    H4*    G   2           H4*        G   2   4.835 -14.062  -1.807
   16    H3*    G   2           H3*        G   2   2.019 -13.018  -1.830
   17    H2*    G   2           H2*        G   2   1.602 -14.268  -3.846
   18   2HO*    G   2          2HO*        G   2   3.684 -13.864  -4.803
   19    H1*    G   2           H1*        G   2   2.838 -16.611  -2.982
   20    H8     G   2           H8         G   2   1.313 -15.676   0.154
   21    H1     G   2           H1         G   2  -3.105 -17.411  -4.154
   22   1H2     G   2          H21         G   2  -0.555 -17.063  -6.470
   23   2H2     G   2          H22         G   2  -2.232 -17.459  -6.173
   24   1H5*    U   3          1H5*        U   3   3.666 -11.190  -5.711
   25   2H5*    U   3          2H5*        U   3   2.733  -9.690  -5.871
   26    H4*    U   3           H4*        U   3   2.502 -11.189  -7.802
   27    H3*    U   3           H3*        U   3   0.011 -10.520  -6.247
   28    H2*    U   3           H2*        U   3  -1.230 -11.804  -7.889
   29   2HO*    U   3          2HO*        U   3   0.229 -11.134  -9.666
   30    H1*    U   3           H1*        U   3   0.471 -13.989  -7.761
   31    H3     U   3           H3         U   3  -3.121 -15.206  -5.280
   32    H5     U   3           H5         U   3  -0.843 -12.772  -2.726
   33    H6     U   3           H6         U   3   0.567 -12.254  -4.605
   34   1H5*    A   4          1H5*        A   4  -0.876  -8.487 -10.271
   35   2H5*    A   4          2H5*        A   4  -1.951  -7.151  -9.819
   36    H4*    A   4           H4*        A   4  -2.892  -8.736 -11.483
   37    H3*    A   4           H3*        A   4  -4.374  -8.237  -8.917
   38    H2*    A   4           H2*        A   4  -6.113  -9.738  -9.720
   39   2HO*    A   4          2HO*        A   4  -5.666 -10.789 -11.826
   40    H1*    A   4           H1*        A   4  -4.357 -11.759 -10.341
   41    H8     A   4           H8         A   4  -2.570 -10.078  -7.598
   42   1H6     A   4          H61         A   4  -6.294 -12.909  -3.558
   43   2H6     A   4          H62         A   4  -4.829 -11.973  -3.755
   44    H2     A   4           H2         A   4  -8.032 -13.454  -7.664
   45   1H5*    G   5          1H5*        G   5  -7.461  -6.290 -11.306
   46   2H5*    G   5          2H5*        G   5  -7.923  -4.886 -10.324
   47    H4*    G   5           H4*        G   5  -9.711  -6.586 -10.637
   48    H3*    G   5           H3*        G   5  -8.889  -5.790  -7.857
   49    H2*    G   5           H2*        G   5 -10.511  -7.359  -6.984
   50   2HO*    G   5          2HO*        G   5 -12.017  -8.337  -8.332
   51    H1*    G   5           H1*        G   5  -9.823  -9.442  -8.698
   52    H8     G   5           H8         G   5  -6.543  -7.956  -8.076
   53    H1     G   5           H1         G   5  -8.836 -11.046  -2.940
   54   1H2     G   5          H21         G   5 -11.852 -10.978  -4.609
   55   2H2     G   5          H22         G   5 -10.960 -11.439  -3.176
   56   1H5*    A   6          1H5*        A   6 -12.519  -6.546  -8.038
   57   2H5*    A   6          2H5*        A   6 -13.723  -5.385  -7.453
   58    H4*    A   6           H4*        A   6 -13.969  -7.710  -6.573
   59    H3*    A   6           H3*        A   6 -14.560  -5.417  -5.247
   60    H2*    A   6           H2*        A   6 -12.528  -5.183  -4.015
   61   2HO*    A   6          2HO*        A   6 -13.916  -7.177  -2.507
   62    H1*    A   6           H1*        A   6 -12.410  -8.238  -3.640
   63    H8     A   6           H8         A   6  -9.804  -6.107  -5.421
   64   1H6     A   6          H61         A   6  -6.418  -6.664  -0.265
   65   2H6     A   6          H62         A   6  -6.437  -6.124  -1.931
   66    H2     A   6           H2         A   6 -10.495  -8.400   0.541
   67   1H5*    A   7          1H5*        A   7 -15.739  -7.436  -1.470
   68   2H5*    A   7          2H5*        A   7 -17.266  -6.622  -1.084
   69    H4*    A   7           H4*        A   7 -15.985  -5.979   0.676
   70    H3*    A   7           H3*        A   7 -15.760  -3.818  -1.371
   71    H2*    A   7           H2*        A   7 -13.881  -2.904  -0.318
   72   2HO*    A   7          2HO*        A   7 -14.354  -2.207   1.620
   73    H1*    A   7           H1*        A   7 -13.571  -5.262   1.534
   74    H8     A   7           H8         A   7 -12.115  -5.339  -1.936
   75   1H6     A   7          H61         A   7  -6.764  -3.562   0.590
   76   2H6     A   7          H62         A   7  -7.542  -4.138  -0.867
   77    H2     A   7           H2         A   7  -9.951  -3.287   3.732
   78   1H5*    A   8          1H5*        A   8 -15.862   0.434   0.412
   79   2H5*    A   8          2H5*        A   8 -14.725  -0.906   0.170
   80    H4*    A   8           H4*        A   8 -15.248  -0.238   2.975
   81    H3*    A   8           H3*        A   8 -14.376   1.963   1.223
   82    H2*    A   8           H2*        A   8 -12.161   1.934   1.974
   83   2HO*    A   8          2HO*        A   8 -13.152   3.068   3.818
   84    H1*    A   8           H1*        A   8 -12.780  -0.250   4.007
   85    H8     A   8           H8         A   8 -11.122  -0.424   0.562
   86   1H6     A   8          H61         A   8  -5.804  -1.482   3.531
   87   2H6     A   8          H62         A   8  -6.578  -1.351   1.967
   88    H2     A   8           H2         A   8  -8.962  -0.715   6.610
   89   1H5*    C   9          1H5*        C   9 -14.958   5.822   5.521
   90   2H5*    C   9          2H5*        C   9 -13.892   5.940   4.108
   91    H4*    C   9           H4*        C   9 -13.278   5.333   6.924
   92    H3*    C   9           H3*        C   9 -11.911   6.805   4.707
   93    H2*    C   9           H2*        C   9  -9.755   6.255   5.617
   94   2HO*    C   9          2HO*        C   9 -10.098   4.788   7.694
   95    H1*    C   9           H1*        C   9 -10.298   3.585   6.147
   96   1H4     C   9          H41         C   9  -9.630   3.765  -0.411
   97   2H4     C   9          H42         C   9  -8.037   3.392   0.234
   98    H5     C   9           H5         C   9 -11.523   4.317   1.012
   99    H6     C   9           H6         C   9 -12.255   4.612   3.316
  100   1H5*    A  10          1H5*        A  10  -9.647   9.377   8.400
  101   2H5*    A  10          2H5*        A  10  -9.128  10.445   7.083
  102    H4*    A  10           H4*        A  10  -7.555   8.685   8.553
  103    H3*    A  10           H3*        A  10  -7.058  10.460   6.232
  104    H2*    A  10           H2*        A  10  -5.206   9.185   5.426
  105   2HO*    A  10          2HO*        A  10  -4.028   8.629   7.165
  106    H1*    A  10           H1*        A  10  -6.252   6.655   5.781
  107    H8     A  10           H8         A  10  -9.346   8.348   4.864
  108   1H6     A  10          H61         A  10  -7.440   8.407  -1.027
  109   2H6     A  10          H62         A  10  -8.801   8.644   0.044
  110    H2     A  10           H2         A  10  -3.937   7.328   1.563
  111   1H5*    A  11          1H5*        A  11  -2.737  13.211   8.528
  112   2H5*    A  11          2H5*        A  11  -2.664  12.715   6.826
  113    H4*    A  11           H4*        A  11  -1.016  11.901   9.134
  114    H3*    A  11           H3*        A  11  -0.510  12.584   6.292
  115    H2*    A  11           H2*        A  11   1.135  10.871   6.002
  116   2HO*    A  11          2HO*        A  11   1.782  11.369   8.402
  117    H1*    A  11           H1*        A  11  -0.177   8.823   7.300
  118    H8     A  11           H8         A  11  -3.123  10.453   5.917
  119   1H6     A  11          H61         A  11  -1.677   8.121   0.366
  120   2H6     A  11          H62         A  11  -2.917   8.918   1.308
  121    H2     A  11           H2         A  11   1.860   7.586   3.058
  122   1H5*    G  12          1H5*        G  12   3.479  12.487   6.924
  123   2H5*    G  12          2H5*        G  12   3.958  14.196   6.899
  124    H4*    G  12           H4*        G  12   5.362  13.024   5.393
  125    H3*    G  12           H3*        G  12   3.354  14.807   4.058
  126    H2*    G  12           H2*        G  12   4.169  14.101   1.902
  127   2HO*    G  12          2HO*        G  12   6.048  12.849   1.728
  128    H1*    G  12           H1*        G  12   4.254  11.390   2.504
  129    H8     G  12           H8         G  12   1.358  13.123   4.244
  130    H1     G  12           H1         G  12   0.129  11.064  -1.704
  131   1H2     G  12          H21         G  12   3.527  10.461  -1.881
  132   2H2     G  12          H22         G  12   1.977  10.404  -2.687
  133   1H5*    G  13          1H5*        G  13   6.621  15.122   1.910
  134   2H5*    G  13          2H5*        G  13   6.920  16.754   1.281
  135    H4*    G  13           H4*        G  13   6.579  15.046  -0.478
  136    H3*    G  13           H3*        G  13   4.659  17.369  -0.371
  137    H2*    G  13           H2*        G  13   3.586  16.471  -2.300
  138   2HO*    G  13          2HO*        G  13   6.023  15.028  -2.581
  139    H1*    G  13           H1*        G  13   4.099  13.721  -1.581
  140    H8     G  13           H8         G  13   2.382  15.341   1.232
  141    H1     G  13           H1         G  13  -1.617  13.864  -3.567
  142   1H2     G  13          H21         G  13   1.270  13.366  -5.416
  143   2H2     G  13          H22         G  13  -0.477  13.350  -5.376
  144   1H5*    C  14          1H5*        C  14   6.869  17.552  -4.564
  145   2H5*    C  14          2H5*        C  14   6.639  19.264  -4.972
  146    H4*    C  14           H4*        C  14   5.872  17.666  -6.713
  147    H3*    C  14           H3*        C  14   3.931  19.662  -5.572
  148    H2*    C  14           H2*        C  14   2.255  18.793  -7.077
  149   2HO*    C  14          2HO*        C  14   4.376  17.211  -8.168
  150    H1*    C  14           H1*        C  14   2.852  16.103  -6.587
  151   1H4     C  14          H41         C  14  -0.581  18.142  -1.341
  152   2H4     C  14          H42         C  14  -1.769  17.502  -2.459
  153    H5     C  14           H5         C  14   1.751  18.365  -1.886
  154    H6     C  14           H6         C  14   3.450  17.972  -3.592
  155   1H5*    U  15          1H5*        U  15   2.432  19.349  -9.344
  156   2H5*    U  15          2H5*        U  15   2.691  20.972 -10.012
  157    H4*    U  15           H4*        U  15   0.375  20.171 -10.244
  158    H3*    U  15           H3*        U  15   0.865  22.692  -8.674
  159    H2*    U  15           H2*        U  15  -1.500  22.871  -8.321
  160   2HO*    U  15          2HO*        U  15  -1.590  20.912 -10.378
  161    H1*    U  15           H1*        U  15  -1.914  20.134  -7.810
  162    H3     U  15           H3         U  15  -2.627  22.090  -3.797
  163    H5     U  15           H5         U  15   1.549  22.101  -4.244
  164    H6     U  15           H6         U  15   1.234  21.323  -6.499
  165   1H5*    U  16          1H5*        U  16  -1.504  25.198 -13.040
  166   2H5*    U  16          2H5*        U  16  -2.413  25.935 -11.706
  167    H4*    U  16           H4*        U  16  -4.044  25.330 -13.241
  168    H3*    U  16           H3*        U  16  -4.406  24.302 -10.853
  169    H2*    U  16           H2*        U  16  -3.037  22.319 -11.109
  170   2HO*    U  16          2HO*        U  16  -5.688  21.700 -11.969
  171    H1*    U  16           H1*        U  16  -4.303  21.753 -13.833
  172    H3     U  16           H3         U  16  -1.511  18.246 -14.041
  173    H5     U  16           H5         U  16   1.045  21.506 -13.351
  174    H6     U  16           H6         U  16  -0.910  22.881 -13.070
  175   1H5*    C  17          1H5*        C  17  -7.381  21.770 -10.116
  176   2H5*    C  17          2H5*        C  17  -8.710  22.936  -9.974
  177    H4*    C  17           H4*        C  17  -8.251  21.506  -7.947
  178    H3*    C  17           H3*        C  17  -9.293  23.984  -7.863
  179    H2*    C  17           H2*        C  17  -7.116  25.123  -7.816
  180   2HO*    C  17          2HO*        C  17  -7.380  26.129  -5.948
  181    H1*    C  17           H1*        C  17  -6.385  23.041  -5.670
  182   1H4     C  17          H41         C  17  -0.664  25.660  -7.734
  183   2H4     C  17          H42         C  17  -0.678  25.802  -5.984
  184    H5     C  17           H5         C  17  -2.548  24.833  -9.001
  185    H6     C  17           H6         C  17  -4.803  23.915  -8.850
  186   1H5*    G  18          1H5*        G  18 -11.019  22.572  -8.332
  187   2H5*    G  18          2H5*        G  18 -12.726  22.368  -7.903
  188    H4*    G  18           H4*        G  18 -12.705  20.236  -8.510
  189    H3*    G  18           H3*        G  18 -10.261  19.914  -6.789
  190    H2*    G  18           H2*        G  18  -9.699  17.961  -8.025
  191   2HO*    G  18          2HO*        G  18 -11.235  16.540  -8.510
  192    H1*    G  18           H1*        G  18 -11.374  18.823 -10.358
  193    H8     G  18           H8         G  18  -9.878  18.372 -12.352
  194    H1     G  18           H1         G  18  -4.574  19.574  -8.934
  195   1H2     G  18          H21         G  18  -6.748  20.198  -6.339
  196   2H2     G  18          H22         G  18  -5.090  20.117  -6.892
  197   1H5*    G  19          1H5*        G  19 -10.604  15.241  -4.401
  198   2H5*    G  19          2H5*        G  19  -9.664  16.733  -4.254
  199    H4*    G  19           H4*        G  19 -10.586  15.746  -6.924
  200    H3*    G  19           H3*        G  19  -8.488  14.451  -5.306
  201    H2*    G  19           H2*        G  19  -6.752  14.741  -6.912
  202   2HO*    G  19          2HO*        G  19  -8.955  15.137  -8.654
  203    H1*    G  19           H1*        G  19  -7.369  17.281  -7.807
  204    H8     G  19           H8         G  19  -8.180  17.796  -4.319
  205    H1     G  19           H1         G  19  -1.860  17.264  -5.228
  206   1H2     G  19          H21         G  19  -2.717  15.984  -8.316
  207   2H2     G  19          H22         G  19  -1.434  16.421  -7.203
  208   1H5*    C  20          1H5*        C  20  -8.350  12.000  -8.891
  209   2H5*    C  20          2H5*        C  20  -8.075  10.321  -8.385
  210    H4*    C  20           H4*        C  20  -6.289  11.218  -9.820
  211    H3*    C  20           H3*        C  20  -5.637  10.200  -7.084
  212    H2*    C  20           H2*        C  20  -3.333  10.857  -7.365
  213   2HO*    C  20          2HO*        C  20  -2.508  10.974  -9.327
  214    H1*    C  20           H1*        C  20  -3.853  13.379  -8.345
  215   1H4     C  20          H41         C  20  -5.554  13.833  -1.991
  216   2H4     C  20          H42         C  20  -3.899  14.401  -2.077
  217    H5     C  20           H5         C  20  -6.732  12.904  -3.867
  218    H6     C  20           H6         C  20  -6.589  12.343  -6.232
  219   1H5*    C  21          1H5*        C  21  -2.891   9.197  -9.840
  220   2H5*    C  21          2H5*        C  21  -2.094   7.616  -9.716
  221    H4*    C  21           H4*        C  21  -0.555   9.572  -9.726
  222    H3*    C  21           H3*        C  21  -0.479   7.575  -7.493
  223    H2*    C  21           H2*        C  21   1.185   8.867  -6.359
  224   2HO*    C  21          2HO*        C  21   1.868   9.475  -8.859
  225    H1*    C  21           H1*        C  21   0.125  11.411  -7.036
  226   1H4     C  21          H41         C  21  -3.171   9.680  -1.626
  227   2H4     C  21          H42         C  21  -1.657  10.346  -1.034
  228    H5     C  21           H5         C  21  -3.602   9.293  -3.975
  229    H6     C  21           H6         C  21  -2.686   9.481  -6.226
  230   1H5*    U  22          1H5*        U  22  -0.123   5.091  -5.911
  231   2H5*    U  22          2H5*        U  22   0.692   6.665  -5.980
  232    H4*    U  22           H4*        U  22   2.567   4.518  -6.392
  233    H3*    U  22           H3*        U  22   0.749   4.133  -4.062
  234    H2*    U  22           H2*        U  22   2.586   3.894  -2.543
  235   2HO*    U  22          2HO*        U  22   4.155   3.772  -4.924
  236    H1*    U  22           H1*        U  22   4.131   5.974  -3.506
  237    H3     U  22           H3         U  22   2.509   7.876   0.224
  238    H5     U  22           H5         U  22  -0.774   7.841  -2.389
  239    H6     U  22           H6         U  22   0.552   6.556  -3.919
  240   1H5*    G  23          1H5*        G  23   0.085   1.194  -1.764
  241   2H5*    G  23          2H5*        G  23  -0.176   2.735  -2.599
  242    H4*    G  23           H4*        G  23   1.678   3.297  -0.595
  243    H3*    G  23           H3*        G  23  -0.174   1.209   0.413
  244    H2*    G  23           H2*        G  23  -0.873   2.531   2.285
  245   2HO*    G  23          2HO*        G  23   1.565   3.553   2.012
  246    H1*    G  23           H1*        G  23  -1.231   4.918   0.956
  247    H8     G  23           H8         G  23  -2.039   2.375  -1.617
  248    H1     G  23           H1         G  23  -6.791   3.215   2.600
  249   1H2     G  23          H21         G  23  -4.464   4.980   4.450
  250   2H2     G  23          H22         G  23  -6.104   4.383   4.313
  251   1H5*    C  24          1H5*        C  24  -0.081  -1.249   3.502
  252   2H5*    C  24          2H5*        C  24  -0.796   0.296   3.003
  253    H4*    C  24           H4*        C  24   0.664   0.283   5.572
  254    H3*    C  24           H3*        C  24  -1.838  -1.347   5.227
  255    H2*    C  24           H2*        C  24  -2.641  -0.484   7.327
  256   2HO*    C  24          2HO*        C  24  -0.001  -0.226   7.782
  257    H1*    C  24           H1*        C  24  -1.879   2.166   6.834
  258   1H4     C  24          H41         C  24  -7.405   1.250   3.352
  259   2H4     C  24          H42         C  24  -7.922   1.877   4.908
  260    H5     C  24           H5         C  24  -5.110   0.683   2.859
  261    H6     C  24           H6         C  24  -2.843   0.597   3.751
  262   1H5*    U  25          1H5*        U  25  -2.253  -2.511   8.412
  263   2H5*    U  25          2H5*        U  25  -1.649  -4.172   8.577
  264    H4*    U  25           H4*        U  25  -3.870  -4.087   9.421
  265    H3*    U  25           H3*        U  25  -3.596  -5.579   6.831
  266    H2*    U  25           H2*        U  25  -5.976  -6.021   6.885
  267   2HO*    U  25          2HO*        U  25  -5.946  -4.688   9.416
  268    H1*    U  25           H1*        U  25  -6.701  -3.412   7.401
  269    H3     U  25           H3         U  25  -7.376  -3.807   2.944
  270    H5     U  25           H5         U  25  -3.218  -3.355   3.320
  271    H6     U  25           H6         U  25  -3.501  -3.497   5.704
  272   1H5*    U  26          1H5*        U  26  -5.452  -8.828   9.049
  273   2H5*    U  26          2H5*        U  26  -4.631 -10.279   8.442
  274    H4*    U  26           H4*        U  26  -7.082 -10.211   8.023
  275    H3*    U  26           H3*        U  26  -5.198 -10.499   5.689
  276    H2*    U  26           H2*        U  26  -7.110 -10.632   4.247
  277   2HO*    U  26          2HO*        U  26  -9.149 -11.059   5.046
  278    H1*    U  26           H1*        U  26  -8.619  -8.670   5.647
  279    H3     U  26           H3         U  26  -7.798  -7.214   1.390
  280    H5     U  26           H5         U  26  -4.456  -6.083   3.675
  281    H6     U  26           H6         U  26  -5.335  -7.413   5.475
  282   1H5*    U  27          1H5*        U  27  -8.376 -13.008   5.941
  283   2H5*    U  27          2H5*        U  27  -8.156 -14.715   5.509
  284    H4*    U  27           H4*        U  27 -10.136 -13.807   4.460
  285    H3*    U  27           H3*        U  27  -7.910 -14.591   2.592
  286    H2*    U  27           H2*        U  27  -9.315 -13.951   0.746
  287   2HO*    U  27          2HO*        U  27 -11.385 -14.359   1.022
  288    H1*    U  27           H1*        U  27 -10.298 -11.604   1.971
  289    H3     U  27           H3         U  27  -7.709  -9.965  -1.335
  290    H5     U  27           H5         U  27  -4.978 -11.303   1.548
  291    H6     U  27           H6         U  27  -6.793 -12.375   2.676
  292   1H5*    U  28          1H5*        U  28 -11.773 -16.929   1.670
  293   2H5*    U  28          2H5*        U  28 -11.214 -18.522   1.123
  294    H4*    U  28           H4*        U  28 -12.931 -17.470  -0.329
  295    H3*    U  28           H3*        U  28 -10.280 -18.295  -1.476
  296    H2*    U  28           H2*        U  28 -11.024 -17.502  -3.644
  297   2HO*    U  28          2HO*        U  28 -13.202 -18.041  -3.603
  298    H1*    U  28           H1*        U  28 -11.865 -15.049  -2.713
  299    H3     U  28           H3         U  28  -7.718 -14.376  -4.510
  300    H5     U  28           H5         U  28  -7.033 -15.619  -0.557
  301    H6     U  28           H6         U  28  -9.380 -16.117  -0.387
  302   1H5*    G  29          1H5*        G  29 -12.176 -21.335  -3.857
  303   2H5*    G  29          2H5*        G  29 -11.178 -22.772  -3.564
  304    H4*    G  29           H4*        G  29 -11.075 -21.991  -5.888
  305    H3*    G  29           H3*        G  29  -8.514 -22.008  -4.306
  306    H2*    G  29           H2*        G  29  -7.371 -21.105  -6.188
  307   2HO*    G  29          2HO*        G  29  -7.870 -22.014  -8.026
  308    H1*    G  29           H1*        G  29  -9.633 -19.619  -7.206
  309    H8     G  29           H8         G  29  -8.912 -18.696  -3.678
  310    H1     G  29           H1         G  29  -5.067 -15.780  -7.897
  311   1H2     G  29          H21         G  29  -6.349 -18.026 -10.186
  312   2H2     G  29          H22         G  29  -5.274 -16.678  -9.870
  313   1H5*    C  30          1H5*        C  30  -7.411 -24.037  -8.008
  314   2H5*    C  30          2H5*        C  30  -6.312 -25.332  -7.493
  315    H4*    C  30           H4*        C  30  -5.298 -23.845  -9.144
  316    H3*    C  30           H3*        C  30  -4.039 -24.069  -6.437
  317    H2*    C  30           H2*        C  30  -2.401 -22.420  -7.030
  318   2HO*    C  30          2HO*        C  30  -3.220 -21.902  -9.588
  319    H1*    C  30           H1*        C  30  -4.155 -20.692  -8.374
  320   1H4     C  30          H41         C  30  -5.050 -19.499  -1.945
  321   2H4     C  30          H42         C  30  -4.058 -18.196  -2.581
  322    H5     C  30           H5         C  30  -5.704 -21.401  -3.284
  323    H6     C  30           H6         C  30  -5.566 -22.428  -5.490
  324   1H5*    U  31          1H5*        U  31  -1.070 -24.280  -9.011
  325   2H5*    U  31          2H5*        U  31   0.066 -25.632  -8.833
  326    H4*    U  31           H4*        U  31   1.240 -23.521  -8.893
  327    H3*    U  31           H3*        U  31   1.375 -25.084  -6.339
  328    H2*    U  31           H2*        U  31   2.703 -23.346  -5.339
  329   2HO*    U  31          2HO*        U  31   3.234 -21.478  -6.757
  330    H1*    U  31           H1*        U  31   1.145 -21.229  -6.259
  331    H3     U  31           H3         U  31   0.264 -21.712  -1.808
  332    H5     U  31           H5         U  31  -2.322 -24.379  -3.767
  333    H6     U  31           H6         U  31  -1.115 -23.934  -5.802
  334    H3T    U  31           H3T        U  31   3.558 -24.392  -7.837
  Start of MODEL   21
    1   1H5*    A   1          1H5*        A   1  -0.540 -11.938   6.757
    2   2H5*    A   1          2H5*        A   1  -1.263 -13.521   6.420
    3    H4*    A   1           H4*        A   1   1.618 -12.951   7.100
    4    H3*    A   1           H3*        A   1   0.280 -13.566   4.484
    5    H2*    A   1           H2*        A   1   2.189 -14.920   3.868
    6   2HO*    A   1          2HO*        A   1   3.955 -13.917   4.679
    7    H1*    A   1           H1*        A   1   2.295 -16.309   6.257
    8    H8     A   1           H8         A   1  -1.313 -15.793   6.028
    9   1H6     A   1          H61         A   1  -1.580 -20.320   1.815
   10   2H6     A   1          H62         A   1  -2.514 -19.297   2.883
   11    H2     A   1           H2         A   1   2.723 -19.186   2.367
   12    H5T    A   1           H5T        A   1  -1.352 -12.544   8.668
   13   1H5*    G   2          1H5*        G   2   3.944 -12.203   2.661
   14   2H5*    G   2          2H5*        G   2   3.367 -10.949   1.546
   15    H4*    G   2           H4*        G   2   4.672 -12.641   0.392
   16    H3*    G   2           H3*        G   2   1.774 -12.406  -0.368
   17    H2*    G   2           H2*        G   2   2.068 -14.190  -1.944
   18   2HO*    G   2          2HO*        G   2   4.451 -14.990  -1.998
   19    H1*    G   2           H1*        G   2   3.744 -15.760  -0.297
   20    H8     G   2           H8         G   2   1.183 -14.723   2.055
   21    H1     G   2           H1         G   2  -1.055 -19.034  -2.128
   22   1H2     G   2          H21         G   2   1.800 -18.322  -3.947
   23   2H2     G   2          H22         G   2   0.314 -19.241  -3.826
   24   1H5*    U   3          1H5*        U   3   3.955 -11.917  -4.170
   25   2H5*    U   3          2H5*        U   3   3.190 -10.537  -4.983
   26    H4*    U   3           H4*        U   3   3.297 -12.383  -6.496
   27    H3*    U   3           H3*        U   3   0.518 -11.709  -5.565
   28    H2*    U   3           H2*        U   3  -0.315 -13.471  -6.991
   29   2HO*    U   3          2HO*        U   3   2.389 -13.751  -7.880
   30    H1*    U   3           H1*        U   3   1.588 -15.345  -6.195
   31    H3     U   3           H3         U   3  -2.179 -16.692  -4.082
   32    H5     U   3           H5         U   3  -0.809 -13.440  -1.806
   33    H6     U   3           H6         U   3   0.839 -13.038  -3.512
   34   1H5*    A   4          1H5*        A   4   0.418 -11.336 -10.242
   35   2H5*    A   4          2H5*        A   4  -0.306  -9.718 -10.324
   36    H4*    A   4           H4*        A   4  -1.335 -11.237 -11.908
   37    H3*    A   4           H3*        A   4  -3.072 -10.137  -9.731
   38    H2*    A   4           H2*        A   4  -4.942 -11.425 -10.586
   39   2HO*    A   4          2HO*        A   4  -4.575 -12.760 -12.477
   40    H1*    A   4           H1*        A   4  -3.568 -13.800 -10.688
   41    H8     A   4           H8         A   4  -1.681 -12.326  -7.990
   42   1H6     A   4          H61         A   4  -6.380 -13.294  -4.095
   43   2H6     A   4          H62         A   4  -4.685 -12.885  -4.230
   44    H2     A   4           H2         A   4  -7.906 -13.855  -8.282
   45   1H5*    G   5          1H5*        G   5  -5.284  -7.991 -12.868
   46   2H5*    G   5          2H5*        G   5  -5.499  -6.374 -12.172
   47    H4*    G   5           H4*        G   5  -7.610  -7.584 -12.576
   48    H3*    G   5           H3*        G   5  -6.991  -6.722  -9.756
   49    H2*    G   5           H2*        G   5  -9.159  -7.595  -9.124
   50   2HO*    G   5          2HO*        G   5 -10.703  -7.985 -10.597
   51    H1*    G   5           H1*        G   5  -8.856  -9.993 -10.529
   52    H8     G   5           H8         G   5  -5.462  -9.381  -9.277
   53    H1     G   5           H1         G   5  -9.515 -11.188  -4.638
   54   1H2     G   5          H21         G   5 -11.987 -10.536  -6.948
   55   2H2     G   5          H22         G   5 -11.574 -11.064  -5.333
   56   1H5*    A   6          1H5*        A   6 -10.614  -6.013 -10.570
   57   2H5*    A   6          2H5*        A   6 -11.308  -4.417 -10.228
   58    H4*    A   6           H4*        A   6 -12.606  -6.335  -9.329
   59    H3*    A   6           H3*        A   6 -12.365  -3.913  -8.125
   60    H2*    A   6           H2*        A   6 -10.576  -4.490  -6.609
   61   2HO*    A   6          2HO*        A   6 -12.867  -4.257  -5.523
   62    H1*    A   6           H1*        A   6 -11.898  -7.244  -6.228
   63    H8     A   6           H8         A   6  -8.376  -6.340  -7.440
   64   1H6     A   6          H61         A   6  -6.380  -8.692  -2.075
   65   2H6     A   6          H62         A   6  -5.908  -8.048  -3.637
   66    H2     A   6           H2         A   6 -10.871  -8.642  -1.987
   67   1H5*    A   7          1H5*        A   7 -14.790  -5.770  -4.689
   68   2H5*    A   7          2H5*        A   7 -16.062  -4.563  -4.419
   69    H4*    A   7           H4*        A   7 -15.101  -4.820  -2.329
   70    H3*    A   7           H3*        A   7 -13.915  -2.378  -3.626
   71    H2*    A   7           H2*        A   7 -12.403  -2.148  -1.823
   72   2HO*    A   7          2HO*        A   7 -14.369  -3.623  -0.369
   73    H1*    A   7           H1*        A   7 -12.535  -4.993  -1.040
   74    H8     A   7           H8         A   7 -10.957  -3.969  -4.357
   75   1H6     A   7          H61         A   7  -5.554  -4.215  -1.355
   76   2H6     A   7          H62         A   7  -6.329  -4.029  -2.913
   77    H2     A   7           H2         A   7  -8.843  -4.705   1.660
   78   1H5*    A   8          1H5*        A   8 -15.483   1.182  -0.629
   79   2H5*    A   8          2H5*        A   8 -13.857   1.761  -1.039
   80    H4*    A   8           H4*        A   8 -14.777   0.102   1.199
   81    H3*    A   8           H3*        A   8 -12.515   2.035   0.766
   82    H2*    A   8           H2*        A   8 -11.251   0.938   2.460
   83   2HO*    A   8          2HO*        A   8 -12.818   0.823   4.062
   84    H1*    A   8           H1*        A   8 -12.276  -1.694   1.945
   85    H8     A   8           H8         A   8 -11.040  -0.283  -1.246
   86   1H6     A   8          H61         A   8  -5.361  -2.106   0.417
   87   2H6     A   8          H62         A   8  -6.347  -1.504  -0.897
   88    H2     A   8           H2         A   8  -8.038  -2.464   3.995
   89   1H5*    C   9          1H5*        C   9 -13.323   3.847   5.840
   90   2H5*    C   9          2H5*        C   9 -12.363   5.017   4.912
   91    H4*    C   9           H4*        C   9 -11.511   3.536   7.078
   92    H3*    C   9           H3*        C   9 -10.059   5.185   5.051
   93    H2*    C   9           H2*        C   9  -7.952   4.235   5.730
   94   2HO*    C   9          2HO*        C   9  -8.637   2.431   7.549
   95    H1*    C   9           H1*        C   9  -8.797   1.603   5.783
   96   1H4     C   9          H41         C   9  -8.547   2.989  -0.660
   97   2H4     C   9          H42         C   9  -6.957   2.368  -0.240
   98    H5     C   9           H5         C   9 -10.272   3.414   0.997
   99    H6     C   9           H6         C   9 -10.810   3.326   3.371
  100   1H5*    A  10          1H5*        A  10  -8.264   8.449   8.872
  101   2H5*    A  10          2H5*        A  10  -7.783   9.175   7.326
  102    H4*    A  10           H4*        A  10  -6.113   8.298   9.358
  103    H3*    A  10           H3*        A  10  -5.652   9.305   6.603
  104    H2*    A  10           H2*        A  10  -3.497   8.277   6.430
  105   2HO*    A  10          2HO*        A  10  -3.232   7.031   8.781
  106    H1*    A  10           H1*        A  10  -4.140   5.824   7.510
  107    H8     A  10           H8         A  10  -7.321   6.407   5.894
  108   1H6     A  10          H61         A  10  -4.703   5.176   0.422
  109   2H6     A  10          H62         A  10  -6.216   5.383   1.276
  110    H2     A  10           H2         A  10  -1.428   5.793   3.423
  111   1H5*    A  11          1H5*        A  11  -1.954  13.121   8.201
  112   2H5*    A  11          2H5*        A  11  -2.045  12.719   6.476
  113    H4*    A  11           H4*        A  11   0.047  12.172   8.451
  114    H3*    A  11           H3*        A  11  -0.043  12.828   5.570
  115    H2*    A  11           H2*        A  11   1.697  11.315   4.954
  116   2HO*    A  11          2HO*        A  11   2.410  10.223   7.292
  117    H1*    A  11           H1*        A  11   0.958   9.149   6.486
  118    H8     A  11           H8         A  11  -2.391  10.358   5.794
  119   1H6     A  11          H61         A  11  -1.943   8.093   0.054
  120   2H6     A  11          H62         A  11  -3.031   8.735   1.264
  121    H2     A  11           H2         A  11   2.161   8.113   1.862
  122   1H5*    G  12          1H5*        G  12   4.052  12.825   5.682
  123   2H5*    G  12          2H5*        G  12   4.506  14.484   5.247
  124    H4*    G  12           H4*        G  12   5.591  12.905   3.789
  125    H3*    G  12           H3*        G  12   3.610  14.775   2.564
  126    H2*    G  12           H2*        G  12   3.826  13.685   0.427
  127   2HO*    G  12          2HO*        G  12   5.695  12.788  -0.040
  128    H1*    G  12           H1*        G  12   3.631  11.109   1.350
  129    H8     G  12           H8         G  12   1.633  13.581   3.462
  130    H1     G  12           H1         G  12  -1.553  10.957  -1.446
  131   1H2     G  12          H21         G  12   1.526   9.661  -2.354
  132   2H2     G  12          H22         G  12  -0.181   9.794  -2.712
  133   1H5*    G  13          1H5*        G  13   6.764  14.309  -0.399
  134   2H5*    G  13          2H5*        G  13   7.160  15.974  -0.870
  135    H4*    G  13           H4*        G  13   6.704  14.627  -2.819
  136    H3*    G  13           H3*        G  13   4.754  16.832  -2.242
  137    H2*    G  13           H2*        G  13   3.484  16.185  -4.183
  138   2HO*    G  13          2HO*        G  13   4.305  14.735  -5.685
  139    H1*    G  13           H1*        G  13   3.576  13.452  -3.686
  140    H8     G  13           H8         G  13   3.295  15.382  -0.459
  141    H1     G  13           H1         G  13  -2.299  14.239  -3.382
  142   1H2     G  13          H21         G  13  -0.360  13.196  -6.048
  143   2H2     G  13          H22         G  13  -1.965  13.465  -5.404
  144   1H5*    C  14          1H5*        C  14   6.414  17.281  -6.414
  145   2H5*    C  14          2H5*        C  14   6.259  18.975  -6.920
  146    H4*    C  14           H4*        C  14   5.196  17.316  -8.446
  147    H3*    C  14           H3*        C  14   3.534  19.543  -7.284
  148    H2*    C  14           H2*        C  14   1.653  18.686  -8.559
  149   2HO*    C  14          2HO*        C  14   3.678  17.466  -9.942
  150    H1*    C  14           H1*        C  14   1.929  16.127  -7.611
  151   1H4     C  14          H41         C  14   0.168  19.735  -2.376
  152   2H4     C  14          H42         C  14  -1.323  19.506  -3.275
  153    H5     C  14           H5         C  14   2.321  19.031  -3.205
  154    H6     C  14           H6         C  14   3.493  17.958  -5.063
  155   1H5*    U  15          1H5*        U  15   1.441  19.570 -10.603
  156   2H5*    U  15          2H5*        U  15   1.436  21.267 -11.117
  157    H4*    U  15           H4*        U  15  -0.798  20.203 -10.552
  158    H3*    U  15           H3*        U  15   0.066  22.855  -9.448
  159    H2*    U  15           H2*        U  15  -2.048  23.000  -8.268
  160   2HO*    U  15          2HO*        U  15  -3.170  20.673  -8.597
  161    H1*    U  15           H1*        U  15  -1.833  20.499  -7.151
  162    H3     U  15           H3         U  15  -0.441  23.780  -4.193
  163    H5     U  15           H5         U  15   2.994  22.218  -6.042
  164    H6     U  15           H6         U  15   1.550  21.083  -7.591
  165   1H5*    U  16          1H5*        U  16  -3.570  23.817 -13.204
  166   2H5*    U  16          2H5*        U  16  -3.473  25.546 -12.819
  167    H4*    U  16           H4*        U  16  -5.671  25.497 -12.635
  168    H3*    U  16           H3*        U  16  -4.896  25.094 -10.084
  169    H2*    U  16           H2*        U  16  -4.992  22.674 -10.126
  170   2HO*    U  16          2HO*        U  16  -6.424  22.809  -8.545
  171    H1*    U  16           H1*        U  16  -7.585  22.949 -11.769
  172    H3     U  16           H3         U  16  -8.020  18.473 -11.518
  173    H5     U  16           H5         U  16  -4.167  19.025 -13.091
  174    H6     U  16           H6         U  16  -4.426  21.386 -12.700
  175   1H5*    C  17          1H5*        C  17  -7.710  24.003  -8.211
  176   2H5*    C  17          2H5*        C  17  -8.776  25.361  -7.799
  177    H4*    C  17           H4*        C  17  -8.407  23.835  -5.911
  178    H3*    C  17           H3*        C  17  -8.722  26.372  -5.507
  179    H2*    C  17           H2*        C  17  -6.428  27.079  -6.021
  180   2HO*    C  17          2HO*        C  17  -6.026  27.970  -4.126
  181    H1*    C  17           H1*        C  17  -5.367  24.864  -4.207
  182   1H4     C  17          H41         C  17  -0.709  26.088  -8.729
  183   2H4     C  17          H42         C  17  -0.100  26.739  -7.219
  184    H5     C  17           H5         C  17  -2.955  25.182  -8.953
  185    H6     C  17           H6         C  17  -5.039  24.713  -7.774
  186   1H5*    G  18          1H5*        G  18 -10.591  24.543  -5.629
  187   2H5*    G  18          2H5*        G  18 -12.173  24.669  -4.839
  188    H4*    G  18           H4*        G  18 -12.565  22.486  -5.003
  189    H3*    G  18           H3*        G  18  -9.721  21.930  -4.165
  190    H2*    G  18           H2*        G  18 -10.088  19.676  -4.983
  191   2HO*    G  18          2HO*        G  18 -12.665  20.476  -5.861
  192    H1*    G  18           H1*        G  18 -10.943  20.576  -7.446
  193    H8     G  18           H8         G  18  -9.019  20.738  -8.965
  194    H1     G  18           H1         G  18  -4.981  22.147  -4.197
  195   1H2     G  18          H21         G  18  -7.837  22.305  -2.217
  196   2H2     G  18          H22         G  18  -6.096  22.448  -2.309
  197   1H5*    G  19          1H5*        G  19 -10.634  17.180  -1.562
  198   2H5*    G  19          2H5*        G  19  -9.214  18.236  -1.487
  199    H4*    G  19           H4*        G  19 -10.909  17.968  -3.949
  200    H3*    G  19           H3*        G  19  -8.735  16.101  -3.105
  201    H2*    G  19           H2*        G  19  -7.731  16.217  -5.294
  202   2HO*    G  19          2HO*        G  19 -10.141  17.587  -5.990
  203    H1*    G  19           H1*        G  19  -7.946  18.982  -5.587
  204    H8     G  19           H8         G  19  -7.336  18.863  -2.032
  205    H1     G  19           H1         G  19  -2.045  17.391  -5.339
  206   1H2     G  19          H21         G  19  -4.175  16.985  -8.007
  207   2H2     G  19          H22         G  19  -2.532  16.886  -7.397
  208   1H5*    C  20          1H5*        C  20 -10.239  14.150  -6.485
  209   2H5*    C  20          2H5*        C  20 -10.333  12.397  -6.229
  210    H4*    C  20           H4*        C  20  -8.871  12.897  -8.073
  211    H3*    C  20           H3*        C  20  -7.678  11.610  -5.666
  212    H2*    C  20           H2*        C  20  -5.453  11.855  -6.523
  213   2HO*    C  20          2HO*        C  20  -6.746  12.615  -8.954
  214    H1*    C  20           H1*        C  20  -5.703  14.427  -7.501
  215   1H4     C  20          H41         C  20  -5.210  15.261  -0.989
  216   2H4     C  20          H42         C  20  -3.636  15.656  -1.643
  217    H5     C  20           H5         C  20  -7.020  14.418  -2.302
  218    H6     C  20           H6         C  20  -7.742  13.782  -4.519
  219   1H5*    C  21          1H5*        C  21  -5.332  10.555  -8.804
  220   2H5*    C  21          2H5*        C  21  -5.470   8.799  -9.019
  221    H4*    C  21           H4*        C  21  -3.184   9.250  -9.112
  222    H3*    C  21           H3*        C  21  -3.999   8.067  -6.491
  223    H2*    C  21           H2*        C  21  -1.767   8.309  -5.639
  224   2HO*    C  21          2HO*        C  21  -0.290   7.932  -7.137
  225    H1*    C  21           H1*        C  21  -1.325  10.877  -6.603
  226   1H4     C  21          H41         C  21  -5.417  11.512  -1.423
  227   2H4     C  21          H42         C  21  -3.819  11.931  -0.835
  228    H5     C  21           H5         C  21  -5.831  10.705  -3.672
  229    H6     C  21           H6         C  21  -4.768  10.131  -5.817
  230   1H5*    U  22          1H5*        U  22  -0.929   4.273  -8.206
  231   2H5*    U  22          2H5*        U  22  -1.547   3.292  -6.863
  232    H4*    U  22           H4*        U  22   1.033   3.778  -7.200
  233    H3*    U  22           H3*        U  22  -0.486   3.366  -4.658
  234    H2*    U  22           H2*        U  22   1.425   4.012  -3.353
  235   2HO*    U  22          2HO*        U  22   2.867   4.106  -5.821
  236    H1*    U  22           H1*        U  22   2.121   6.227  -4.868
  237    H3     U  22           H3         U  22   0.136   7.880  -1.115
  238    H5     U  22           H5         U  22  -3.029   6.898  -3.695
  239    H6     U  22           H6         U  22  -1.425   5.831  -5.132
  240   1H5*    G  23          1H5*        G  23   3.207   2.623  -2.801
  241   2H5*    G  23          2H5*        G  23   2.925   0.945  -2.301
  242    H4*    G  23           H4*        G  23   3.313   2.745  -0.504
  243    H3*    G  23           H3*        G  23   1.271   0.565  -0.405
  244    H2*    G  23           H2*        G  23   0.334   1.470   1.617
  245   2HO*    G  23          2HO*        G  23   1.705   2.416   2.937
  246    H1*    G  23           H1*        G  23   0.312   4.124   0.801
  247    H8     G  23           H8         G  23  -0.425   2.525  -2.377
  248    H1     G  23           H1         G  23  -5.391   2.155   1.667
  249   1H2     G  23          H21         G  23  -3.109   3.069   4.095
  250   2H2     G  23          H22         G  23  -4.761   2.640   3.706
  251   1H5*    C  24          1H5*        C  24   2.547  -3.064   2.477
  252   2H5*    C  24          2H5*        C  24   0.854  -3.036   1.947
  253    H4*    C  24           H4*        C  24   2.041  -2.500   4.585
  254    H3*    C  24           H3*        C  24  -0.502  -3.722   3.586
  255    H2*    C  24           H2*        C  24  -1.658  -3.028   5.577
  256   2HO*    C  24          2HO*        C  24   0.502  -3.423   6.798
  257    H1*    C  24           H1*        C  24  -0.651  -0.445   5.639
  258   1H4     C  24          H41         C  24  -4.981  -0.298   0.678
  259   2H4     C  24          H42         C  24  -5.932  -0.020   2.127
  260    H5     C  24           H5         C  24  -2.631  -0.868   0.739
  261    H6     C  24           H6         C  24  -0.719  -1.288   2.194
  262   1H5*    U  25          1H5*        U  25  -1.242  -4.929   6.831
  263   2H5*    U  25          2H5*        U  25  -1.205  -6.697   6.971
  264    H4*    U  25           H4*        U  25  -3.331  -5.898   7.706
  265    H3*    U  25           H3*        U  25  -3.373  -7.434   5.128
  266    H2*    U  25           H2*        U  25  -5.768  -7.109   5.014
  267   2HO*    U  25          2HO*        U  25  -6.908  -6.606   6.767
  268    H1*    U  25           H1*        U  25  -5.682  -4.398   5.532
  269    H3     U  25           H3         U  25  -6.238  -4.635   1.040
  270    H5     U  25           H5         U  25  -2.124  -5.232   1.641
  271    H6     U  25           H6         U  25  -2.564  -5.344   4.005
  272   1H5*    U  26          1H5*        U  26  -6.521  -8.474   7.004
  273   2H5*    U  26          2H5*        U  26  -6.651 -10.202   7.383
  274    H4*    U  26           H4*        U  26  -8.708  -9.673   6.457
  275    H3*    U  26           H3*        U  26  -7.001 -10.903   4.294
  276    H2*    U  26           H2*        U  26  -8.918 -10.718   2.840
  277   2HO*    U  26          2HO*        U  26 -10.794  -9.559   4.188
  278    H1*    U  26           H1*        U  26  -9.593  -8.122   3.700
  279    H3     U  26           H3         U  26  -8.138  -7.640  -0.570
  280    H5     U  26           H5         U  26  -4.638  -7.999   1.727
  281    H6     U  26           H6         U  26  -6.025  -8.550   3.614
  282   1H5*    U  27          1H5*        U  27 -10.774 -12.539   4.582
  283   2H5*    U  27          2H5*        U  27 -10.859 -14.291   4.315
  284    H4*    U  27           H4*        U  27 -12.460 -13.044   2.947
  285    H3*    U  27           H3*        U  27 -10.345 -14.610   1.478
  286    H2*    U  27           H2*        U  27 -11.471 -13.973  -0.574
  287   2HO*    U  27          2HO*        U  27 -13.615 -13.923  -0.127
  288    H1*    U  27           H1*        U  27 -11.616 -11.284   0.122
  289    H3     U  27           H3         U  27  -8.252 -11.824  -2.915
  290    H5     U  27           H5         U  27  -6.501 -12.465   0.848
  291    H6     U  27           H6         U  27  -8.717 -12.503   1.779
  292   1H5*    U  28          1H5*        U  28 -13.906 -16.394  -0.330
  293   2H5*    U  28          2H5*        U  28 -13.540 -18.129  -0.292
  294    H4*    U  28           H4*        U  28 -14.093 -17.389  -2.533
  295    H3*    U  28           H3*        U  28 -11.241 -18.302  -2.160
  296    H2*    U  28           H2*        U  28 -10.991 -18.033  -4.558
  297   2HO*    U  28          2HO*        U  28 -13.407 -16.927  -5.118
  298    H1*    U  28           H1*        U  28 -12.158 -15.497  -4.568
  299    H3     U  28           H3         U  28  -7.669 -14.892  -5.040
  300    H5     U  28           H5         U  28  -8.303 -15.296  -0.904
  301    H6     U  28           H6         U  28 -10.576 -15.921  -1.393
  302   1H5*    G  29          1H5*        G  29 -12.009 -21.890  -4.393
  303   2H5*    G  29          2H5*        G  29 -11.217 -23.151  -3.429
  304    H4*    G  29           H4*        G  29 -10.185 -22.809  -5.640
  305    H3*    G  29           H3*        G  29  -8.451 -22.318  -3.221
  306    H2*    G  29           H2*        G  29  -6.659 -21.780  -4.691
  307   2HO*    G  29          2HO*        G  29  -6.437 -22.815  -6.553
  308    H1*    G  29           H1*        G  29  -8.387 -20.748  -6.797
  309    H8     G  29           H8         G  29  -8.890 -18.922  -3.599
  310    H1     G  29           H1         G  29  -3.739 -16.955  -6.877
  311   1H2     G  29          H21         G  29  -4.243 -19.774  -8.803
  312   2H2     G  29          H22         G  29  -3.294 -18.333  -8.507
  313   1H5*    C  30          1H5*        C  30  -6.225 -24.720  -6.127
  314   2H5*    C  30          2H5*        C  30  -5.495 -26.005  -5.145
  315    H4*    C  30           H4*        C  30  -3.855 -24.913  -6.570
  316    H3*    C  30           H3*        C  30  -3.486 -24.680  -3.600
  317    H2*    C  30           H2*        C  30  -1.515 -23.353  -3.962
  318   2HO*    C  30          2HO*        C  30  -0.457 -23.356  -5.878
  319    H1*    C  30           H1*        C  30  -2.593 -21.793  -6.033
  320   1H4     C  30          H41         C  30  -4.989 -19.237  -0.438
  321   2H4     C  30          H42         C  30  -3.652 -18.209  -0.923
  322    H5     C  30           H5         C  30  -5.571 -21.273  -1.606
  323    H6     C  30           H6         C  30  -4.996 -22.737  -3.470
  324   1H5*    U  31          1H5*        U  31   0.280 -25.891  -4.942
  325   2H5*    U  31          2H5*        U  31   0.724 -27.397  -4.115
  326    H4*    U  31           H4*        U  31   2.562 -25.904  -3.967
  327    H3*    U  31           H3*        U  31   1.113 -26.309  -1.369
  328    H2*    U  31           H2*        U  31   2.642 -24.792  -0.299
  329   2HO*    U  31          2HO*        U  31   4.373 -23.888  -1.729
  330    H1*    U  31           H1*        U  31   2.599 -22.877  -2.338
  331    H3     U  31           H3         U  31   0.220 -20.994   1.028
  332    H5     U  31           H5         U  31  -2.455 -23.660  -0.811
  333    H6     U  31           H6         U  31  -0.611 -24.490  -2.116
  334    H3T    U  31           H3T        U  31   3.736 -26.971  -2.054
  Start of MODEL   22
    1   1H5*    A   1          1H5*        A   1  -2.790 -12.019  10.226
    2   2H5*    A   1          2H5*        A   1  -3.185 -11.300   8.654
    3    H4*    A   1           H4*        A   1  -0.738 -11.558   9.215
    4    H3*    A   1           H3*        A   1  -1.953 -12.434   6.628
    5    H2*    A   1           H2*        A   1   0.149 -13.374   5.916
    6   2HO*    A   1          2HO*        A   1   1.102 -11.883   8.127
    7    H1*    A   1           H1*        A   1   0.680 -14.726   8.261
    8    H8     A   1           H8         A   1  -2.982 -14.896   8.248
    9   1H6     A   1          H61         A   1  -2.620 -19.415   4.033
   10   2H6     A   1          H62         A   1  -3.671 -18.578   5.153
   11    H2     A   1           H2         A   1   1.421 -17.500   4.369
   12    H5T    A   1           H5T        A   1  -4.128 -13.084   8.109
   13   1H5*    G   2          1H5*        G   2   1.371 -10.219   5.238
   14   2H5*    G   2          2H5*        G   2   0.846  -9.116   3.951
   15    H4*    G   2           H4*        G   2   2.689 -10.655   3.315
   16    H3*    G   2           H3*        G   2   0.137 -10.647   1.722
   17    H2*    G   2           H2*        G   2   1.089 -12.328   0.283
   18   2HO*    G   2          2HO*        G   2   3.315 -12.926   0.568
   19    H1*    G   2           H1*        G   2   2.211 -13.848   2.370
   20    H8     G   2           H8         G   2  -0.938 -13.048   3.919
   21    H1     G   2           H1         G   2  -1.736 -17.109  -0.981
   22   1H2     G   2          H21         G   2   1.483 -16.195  -1.875
   23   2H2     G   2          H22         G   2   0.069 -17.160  -2.235
   24   1H5*    U   3          1H5*        U   3   3.285  -9.313  -1.358
   25   2H5*    U   3          2H5*        U   3   2.388  -8.112  -2.306
   26    H4*    U   3           H4*        U   3   3.387  -9.805  -3.728
   27    H3*    U   3           H3*        U   3   0.376  -9.743  -3.676
   28    H2*    U   3           H2*        U   3   0.411 -11.493  -5.347
   29   2HO*    U   3          2HO*        U   3   2.888 -12.144  -5.702
   30    H1*    U   3           H1*        U   3   2.353 -13.013  -4.030
   31    H3     U   3           H3         U   3  -1.485 -15.308  -3.321
   32    H5     U   3           H5         U   3  -1.637 -12.123  -0.589
   33    H6     U   3           H6         U   3   0.320 -11.214  -1.656
   34   1H5*    A   4          1H5*        A   4   1.187  -8.456  -8.006
   35   2H5*    A   4          2H5*        A   4  -0.106  -7.278  -8.300
   36    H4*    A   4           H4*        A   4  -0.009  -9.149  -9.928
   37    H3*    A   4           H3*        A   4  -2.536  -8.603  -8.408
   38    H2*    A   4           H2*        A   4  -3.578 -10.493  -9.521
   39   2HO*    A   4          2HO*        A   4  -2.355 -11.662 -11.105
   40    H1*    A   4           H1*        A   4  -1.514 -12.245  -9.004
   41    H8     A   4           H8         A   4  -1.125 -10.176  -6.061
   42   1H6     A   4          H61         A   4  -6.126 -12.795  -3.545
   43   2H6     A   4          H62         A   4  -4.713 -11.807  -3.246
   44    H2     A   4           H2         A   4  -6.057 -13.844  -7.912
   45   1H5*    G   5          1H5*        G   5  -4.391  -7.458 -12.227
   46   2H5*    G   5          2H5*        G   5  -5.239  -5.952 -11.829
   47    H4*    G   5           H4*        G   5  -6.742  -7.770 -12.521
   48    H3*    G   5           H3*        G   5  -7.097  -6.600  -9.773
   49    H2*    G   5           H2*        G   5  -8.971  -8.101  -9.454
   50   2HO*    G   5          2HO*        G   5  -9.413  -9.592 -11.300
   51    H1*    G   5           H1*        G   5  -7.619 -10.352 -10.350
   52    H8     G   5           H8         G   5  -4.866  -8.535  -8.791
   53    H1     G   5           H1         G   5  -8.962 -10.890  -4.450
   54   1H2     G   5          H21         G   5 -11.087 -11.336  -7.129
   55   2H2     G   5          H22         G   5 -10.828 -11.473  -5.403
   56   1H5*    A   6          1H5*        A   6 -10.738  -7.328 -10.922
   57   2H5*    A   6          2H5*        A   6 -11.681  -5.828 -11.007
   58    H4*    A   6           H4*        A   6 -12.806  -7.676  -9.808
   59    H3*    A   6           H3*        A   6 -13.020  -5.066  -9.155
   60    H2*    A   6           H2*        A   6 -11.322  -4.997  -7.444
   61   2HO*    A   6          2HO*        A   6 -13.456  -4.616  -6.471
   62    H1*    A   6           H1*        A   6 -12.233  -7.759  -6.471
   63    H8     A   6           H8         A   6  -8.839  -6.573  -7.817
   64   1H6     A   6          H61         A   6  -6.781  -7.253  -2.019
   65   2H6     A   6          H62         A   6  -6.338  -6.893  -3.678
   66    H2     A   6           H2         A   6 -11.200  -8.058  -2.032
   67   1H5*    A   7          1H5*        A   7 -15.601  -6.901  -5.669
   68   2H5*    A   7          2H5*        A   7 -16.996  -5.808  -5.595
   69    H4*    A   7           H4*        A   7 -16.169  -5.970  -3.406
   70    H3*    A   7           H3*        A   7 -15.375  -3.351  -4.653
   71    H2*    A   7           H2*        A   7 -14.090  -2.827  -2.741
   72   2HO*    A   7          2HO*        A   7 -15.261  -4.801  -1.130
   73    H1*    A   7           H1*        A   7 -13.747  -5.638  -1.917
   74    H8     A   7           H8         A   7 -12.096  -4.390  -5.112
   75   1H6     A   7          H61         A   7  -7.047  -3.538  -1.630
   76   2H6     A   7          H62         A   7  -7.681  -3.541  -3.262
   77    H2     A   7           H2         A   7 -10.462  -4.545   1.092
   78   1H5*    A   8          1H5*        A   8 -17.320   0.329  -1.531
   79   2H5*    A   8          2H5*        A   8 -15.704  -0.075  -2.142
   80    H4*    A   8           H4*        A   8 -16.784  -0.595   0.625
   81    H3*    A   8           H3*        A   8 -14.869   1.483  -0.393
   82    H2*    A   8           H2*        A   8 -13.562   1.221   1.615
   83   2HO*    A   8          2HO*        A   8 -15.825   0.699   2.726
   84    H1*    A   8           H1*        A   8 -13.638  -1.571   1.632
   85    H8     A   8           H8         A   8 -13.402  -0.184  -1.895
   86   1H6     A   8          H61         A   8  -7.262  -0.453  -1.143
   87   2H6     A   8          H62         A   8  -8.557  -0.174  -2.286
   88    H2     A   8           H2         A   8  -9.188  -1.312   2.815
   89   1H5*    C   9          1H5*        C   9 -15.746   3.655   4.190
   90   2H5*    C   9          2H5*        C   9 -15.234   5.099   3.295
   91    H4*    C   9           H4*        C   9 -13.882   4.081   5.368
   92    H3*    C   9           H3*        C   9 -12.905   5.690   3.042
   93    H2*    C   9           H2*        C   9 -10.623   5.298   3.692
   94   2HO*    C   9          2HO*        C   9 -11.590   5.245   6.089
   95    H1*    C   9           H1*        C   9 -10.902   2.582   4.190
   96   1H4     C   9          H41         C   9 -11.021   3.053  -2.394
   97   2H4     C   9          H42         C   9  -9.358   2.687  -1.959
   98    H5     C   9           H5         C   9 -12.751   3.489  -0.744
   99    H6     C   9           H6         C   9 -13.227   3.654   1.639
  100   1H5*    A  10          1H5*        A  10 -10.008   7.715   6.419
  101   2H5*    A  10          2H5*        A  10  -9.668   8.983   5.225
  102    H4*    A  10           H4*        A  10  -8.004   6.884   5.988
  103    H3*    A  10           H3*        A  10  -7.835   8.941   3.811
  104    H2*    A  10           H2*        A  10  -6.074   7.701   2.759
  105   2HO*    A  10          2HO*        A  10  -6.071   5.942   5.004
  106    H1*    A  10           H1*        A  10  -7.184   5.152   3.176
  107    H8     A  10           H8         A  10 -10.161   6.970   2.178
  108   1H6     A  10          H61         A  10  -8.165   6.838  -3.681
  109   2H6     A  10          H62         A  10  -9.534   7.151  -2.638
  110    H2     A  10           H2         A  10  -4.749   5.672  -1.021
  111   1H5*    A  11          1H5*        A  11  -3.245  11.585   5.619
  112   2H5*    A  11          2H5*        A  11  -3.366  11.005   3.947
  113    H4*    A  11           H4*        A  11  -1.539  10.184   6.138
  114    H3*    A  11           H3*        A  11  -1.218  10.957   3.288
  115    H2*    A  11           H2*        A  11   0.434   9.277   2.868
  116   2HO*    A  11          2HO*        A  11   0.383   8.690   5.664
  117    H1*    A  11           H1*        A  11  -0.793   7.185   4.185
  118    H8     A  11           H8         A  11  -3.829   8.743   3.002
  119   1H6     A  11          H61         A  11  -2.610   6.670  -2.702
  120   2H6     A  11          H62         A  11  -3.827   7.371  -1.659
  121    H2     A  11           H2         A  11   1.105   6.212  -0.234
  122   1H5*    G  12          1H5*        G  12   3.041  11.100   4.324
  123   2H5*    G  12          2H5*        G  12   3.401  12.810   4.014
  124    H4*    G  12           H4*        G  12   4.980  11.322   2.906
  125    H3*    G  12           H3*        G  12   3.302  13.148   1.236
  126    H2*    G  12           H2*        G  12   4.218  12.197  -0.783
  127   2HO*    G  12          2HO*        G  12   5.862  10.501  -0.524
  128    H1*    G  12           H1*        G  12   3.915   9.565  -0.043
  129    H8     G  12           H8         G  12   1.235  11.785   1.493
  130    H1     G  12           H1         G  12  -0.183   9.428  -4.302
  131   1H2     G  12          H21         G  12   3.101   8.337  -4.333
  132   2H2     G  12          H22         G  12   1.567   8.430  -5.171
  133   1H5*    G  13          1H5*        G  13   6.916  12.813  -0.835
  134   2H5*    G  13          2H5*        G  13   7.508  14.473  -1.041
  135    H4*    G  13           H4*        G  13   7.540  13.381  -3.158
  136    H3*    G  13           H3*        G  13   5.433  15.507  -2.905
  137    H2*    G  13           H2*        G  13   4.766  15.052  -5.179
  138   2HO*    G  13          2HO*        G  13   6.845  14.728  -6.071
  139    H1*    G  13           H1*        G  13   4.797  12.277  -4.908
  140    H8     G  13           H8         G  13   3.599  13.875  -1.715
  141    H1     G  13           H1         G  13  -0.960  13.004  -6.148
  142   1H2     G  13          H21         G  13   1.657  12.256  -8.271
  143   2H2     G  13          H22         G  13  -0.070  12.437  -8.060
  144   1H5*    C  14          1H5*        C  14   7.170  16.905  -6.642
  145   2H5*    C  14          2H5*        C  14   7.769  18.500  -6.147
  146    H4*    C  14           H4*        C  14   6.560  18.931  -8.074
  147    H3*    C  14           H3*        C  14   4.795  19.539  -5.705
  148    H2*    C  14           H2*        C  14   3.110  20.258  -7.281
  149   2HO*    C  14          2HO*        C  14   5.339  20.385  -8.942
  150    H1*    C  14           H1*        C  14   3.459  18.057  -8.987
  151   1H4     C  14          H41         C  14  -0.106  15.866  -3.886
  152   2H4     C  14          H42         C  14  -1.265  16.601  -4.984
  153    H5     C  14           H5         C  14   2.278  15.959  -4.264
  154    H6     C  14           H6         C  14   4.034  16.808  -5.723
  155   1H5*    U  15          1H5*        U  15   3.765  23.332  -7.398
  156   2H5*    U  15          2H5*        U  15   4.007  24.329  -5.950
  157    H4*    U  15           H4*        U  15   1.690  24.339  -6.811
  158    H3*    U  15           H3*        U  15   2.206  23.435  -3.992
  159    H2*    U  15           H2*        U  15  -0.175  23.110  -3.721
  160   2HO*    U  15          2HO*        U  15  -0.727  24.971  -5.092
  161    H1*    U  15           H1*        U  15  -0.490  21.699  -6.075
  162    H3     U  15           H3         U  15  -0.451  18.642  -2.672
  163    H5     U  15           H5         U  15   3.568  19.207  -3.741
  164    H6     U  15           H6         U  15   2.866  21.051  -5.118
  165   1H5*    U  16          1H5*        U  16   0.118  27.864  -1.714
  166   2H5*    U  16          2H5*        U  16  -0.308  26.461  -0.715
  167    H4*    U  16           H4*        U  16  -2.246  27.820  -0.973
  168    H3*    U  16           H3*        U  16  -2.521  25.242  -1.313
  169    H2*    U  16           H2*        U  16  -1.851  25.083  -3.631
  170   2HO*    U  16          2HO*        U  16  -4.657  25.521  -3.465
  171    H1*    U  16           H1*        U  16  -3.574  27.469  -4.410
  172    H3     U  16           H3         U  16  -1.619  26.480  -8.404
  173    H5     U  16           H5         U  16   1.485  27.915  -5.964
  174    H6     U  16           H6         U  16  -0.045  27.832  -4.105
  175   1H5*    C  17          1H5*        C  17  -5.775  24.062  -3.010
  176   2H5*    C  17          2H5*        C  17  -6.763  23.465  -1.663
  177    H4*    C  17           H4*        C  17  -5.936  21.792  -3.427
  178    H3*    C  17           H3*        C  17  -6.635  21.235  -0.846
  179    H2*    C  17           H2*        C  17  -4.396  21.484   0.071
  180   2HO*    C  17          2HO*        C  17  -5.300  19.151   0.094
  181    H1*    C  17           H1*        C  17  -3.420  20.005  -2.453
  182   1H4     C  17          H41         C  17   2.032  23.042  -0.501
  183   2H4     C  17          H42         C  17   2.255  21.393   0.070
  184    H5     C  17           H5         C  17  -0.048  23.871  -1.370
  185    H6     C  17           H6         C  17  -2.317  23.265  -2.013
  186   1H5*    G  18          1H5*        G  18  -8.160  21.421  -2.488
  187   2H5*    G  18          2H5*        G  18  -9.627  21.054  -1.561
  188    H4*    G  18           H4*        G  18 -10.892  21.431  -3.328
  189    H3*    G  18           H3*        G  18  -9.339  19.205  -4.537
  190    H2*    G  18           H2*        G  18  -9.409  20.079  -6.689
  191   2HO*    G  18          2HO*        G  18 -11.679  21.484  -6.760
  192    H1*    G  18           H1*        G  18 -10.596  22.708  -5.813
  193    H8     G  18           H8         G  18  -9.880  23.784  -8.036
  194    H1     G  18           H1         G  18  -3.793  22.014  -7.024
  195   1H2     G  18          H21         G  18  -5.077  20.169  -4.402
  196   2H2     G  18          H22         G  18  -3.668  20.652  -5.320
  197   1H5*    G  19          1H5*        G  19  -9.404  15.570  -5.118
  198   2H5*    G  19          2H5*        G  19  -8.849  17.233  -4.861
  199    H4*    G  19           H4*        G  19  -9.958  16.713  -7.519
  200    H3*    G  19           H3*        G  19  -7.798  14.935  -6.578
  201    H2*    G  19           H2*        G  19  -6.250  15.565  -8.276
  202   2HO*    G  19          2HO*        G  19  -7.899  15.465  -9.950
  203    H1*    G  19           H1*        G  19  -6.777  18.281  -8.396
  204    H8     G  19           H8         G  19  -6.988  16.910  -4.855
  205    H1     G  19           H1         G  19  -1.152  18.851  -6.651
  206   1H2     G  19          H21         G  19  -2.512  19.119  -9.804
  207   2H2     G  19          H22         G  19  -1.096  19.278  -8.776
  208   1H5*    C  20          1H5*        C  20  -8.475  13.479 -10.609
  209   2H5*    C  20          2H5*        C  20  -8.611  11.710 -10.565
  210    H4*    C  20           H4*        C  20  -6.873  12.440 -12.098
  211    H3*    C  20           H3*        C  20  -6.092  10.770  -9.744
  212    H2*    C  20           H2*        C  20  -3.762  10.958 -10.340
  213   2HO*    C  20          2HO*        C  20  -4.598  12.431 -12.638
  214    H1*    C  20           H1*        C  20  -3.776  13.680 -10.756
  215   1H4     C  20          H41         C  20  -4.457  13.258  -4.229
  216   2H4     C  20          H42         C  20  -2.731  13.188  -4.499
  217    H5     C  20           H5         C  20  -6.068  13.225  -5.996
  218    H6     C  20           H6         C  20  -6.392  13.182  -8.394
  219   1H5*    C  21          1H5*        C  21  -3.424   9.510 -12.149
  220   2H5*    C  21          2H5*        C  21  -3.828   7.860 -12.662
  221    H4*    C  21           H4*        C  21  -1.576   7.759 -12.100
  222    H3*    C  21           H3*        C  21  -3.246   6.672  -9.848
  223    H2*    C  21           H2*        C  21  -1.227   6.261  -8.604
  224   2HO*    C  21          2HO*        C  21   0.190   7.054 -10.957
  225    H1*    C  21           H1*        C  21  -0.006   8.702  -9.258
  226   1H4     C  21          H41         C  21  -4.306  10.149  -4.469
  227   2H4     C  21          H42         C  21  -2.878   9.554  -3.636
  228    H5     C  21           H5         C  21  -4.529  10.096  -6.884
  229    H6     C  21           H6         C  21  -3.432   9.456  -8.974
  230   1H5*    U  22          1H5*        U  22  -1.447   1.952 -10.345
  231   2H5*    U  22          2H5*        U  22  -2.568   1.777  -8.980
  232    H4*    U  22           H4*        U  22   0.187   1.585  -8.896
  233    H3*    U  22           H3*        U  22  -1.890   1.823  -6.747
  234    H2*    U  22           H2*        U  22  -0.160   2.228  -5.122
  235   2HO*    U  22          2HO*        U  22   1.287   0.779  -6.801
  236    H1*    U  22           H1*        U  22   1.269   4.049  -6.669
  237    H3     U  22           H3         U  22  -0.814   6.675  -3.632
  238    H5     U  22           H5         U  22  -3.808   5.720  -6.419
  239    H6     U  22           H6         U  22  -2.259   4.191  -7.444
  240   1H5*    G  23          1H5*        G  23   0.801   0.230  -4.404
  241   2H5*    G  23          2H5*        G  23   0.097  -1.288  -3.813
  242    H4*    G  23           H4*        G  23   0.843   0.482  -2.110
  243    H3*    G  23           H3*        G  23  -1.735  -1.044  -1.996
  244    H2*    G  23           H2*        G  23  -2.386   0.200  -0.041
  245   2HO*    G  23          2HO*        G  23   0.286   1.219  -0.139
  246    H1*    G  23           H1*        G  23  -1.621   2.695  -1.017
  247    H8     G  23           H8         G  23  -2.858   1.304  -4.104
  248    H1     G  23           H1         G  23  -7.639   2.346   0.047
  249   1H2     G  23          H21         G  23  -5.136   2.632   2.410
  250   2H2     G  23          H22         G  23  -6.850   2.667   2.060
  251   1H5*    C  24          1H5*        C  24  -2.399  -2.907   2.434
  252   2H5*    C  24          2H5*        C  24  -2.755  -1.382   1.602
  253    H4*    C  24           H4*        C  24  -0.722  -1.017   3.614
  254    H3*    C  24           H3*        C  24  -3.212  -2.405   4.567
  255    H2*    C  24           H2*        C  24  -3.285  -0.904   6.448
  256   2HO*    C  24          2HO*        C  24  -0.628  -0.406   5.626
  257    H1*    C  24           H1*        C  24  -2.712   1.403   4.969
  258   1H4     C  24          H41         C  24  -9.063   0.292   3.689
  259   2H4     C  24          H42         C  24  -9.058   1.025   5.282
  260    H5     C  24           H5         C  24  -7.032  -0.368   2.545
  261    H6     C  24           H6         C  24  -4.599  -0.446   2.687
  262   1H5*    U  25          1H5*        U  25  -3.262  -3.679   7.154
  263   2H5*    U  25          2H5*        U  25  -3.285  -5.453   7.157
  264    H4*    U  25           H4*        U  25  -5.479  -4.388   7.617
  265    H3*    U  25           H3*        U  25  -5.217  -6.289   5.298
  266    H2*    U  25           H2*        U  25  -7.589  -5.993   4.901
  267   2HO*    U  25          2HO*        U  25  -7.525  -5.271   7.515
  268    H1*    U  25           H1*        U  25  -7.505  -3.222   5.098
  269    H3     U  25           H3         U  25  -7.861  -4.101   0.653
  270    H5     U  25           H5         U  25  -3.772  -4.482   1.518
  271    H6     U  25           H6         U  25  -4.325  -4.293   3.854
  272   1H5*    U  26          1H5*        U  26  -8.518  -8.234   7.331
  273   2H5*    U  26          2H5*        U  26  -8.203  -9.965   7.106
  274    H4*    U  26           H4*        U  26 -10.353  -9.186   6.153
  275    H3*    U  26           H3*        U  26  -8.341 -10.467   4.309
  276    H2*    U  26           H2*        U  26  -9.955 -10.246   2.538
  277   2HO*    U  26          2HO*        U  26 -11.784  -9.407   4.570
  278    H1*    U  26           H1*        U  26 -10.795  -7.654   3.305
  279    H3     U  26           H3         U  26  -8.680  -7.507  -0.768
  280    H5     U  26           H5         U  26  -5.686  -7.038   2.141
  281    H6     U  26           H6         U  26  -7.318  -7.638   3.805
  282   1H5*    U  27          1H5*        U  27 -12.141 -12.637   3.954
  283   2H5*    U  27          2H5*        U  27 -11.786 -14.326   3.546
  284    H4*    U  27           H4*        U  27 -13.304 -13.170   1.957
  285    H3*    U  27           H3*        U  27 -10.756 -14.414   0.962
  286    H2*    U  27           H2*        U  27 -11.336 -13.698  -1.274
  287   2HO*    U  27          2HO*        U  27 -13.592 -14.041  -1.166
  288    H1*    U  27           H1*        U  27 -11.969 -11.100  -0.541
  289    H3     U  27           H3         U  27  -7.844 -10.832  -2.396
  290    H5     U  27           H5         U  27  -7.159 -12.099   1.548
  291    H6     U  27           H6         U  27  -9.532 -12.412   1.775
  292   1H5*    U  28          1H5*        U  28 -13.819 -16.896  -1.343
  293   2H5*    U  28          2H5*        U  28 -13.046 -18.491  -1.429
  294    H4*    U  28           H4*        U  28 -13.619 -17.518  -3.629
  295    H3*    U  28           H3*        U  28 -10.749 -18.218  -3.054
  296    H2*    U  28           H2*        U  28 -10.219 -17.541  -5.318
  297   2HO*    U  28          2HO*        U  28 -12.104 -18.299  -6.361
  298    H1*    U  28           H1*        U  28 -11.616 -15.145  -5.156
  299    H3     U  28           H3         U  28  -7.157 -14.207  -4.752
  300    H5     U  28           H5         U  28  -8.509 -15.042  -0.863
  301    H6     U  28           H6         U  28 -10.580 -15.799  -1.829
  302   1H5*    G  29          1H5*        G  29 -10.844 -21.413  -5.902
  303   2H5*    G  29          2H5*        G  29 -10.076 -22.757  -5.036
  304    H4*    G  29           H4*        G  29  -8.787 -21.946  -6.985
  305    H3*    G  29           H3*        G  29  -7.475 -21.829  -4.272
  306    H2*    G  29           H2*        G  29  -5.527 -20.933  -5.320
  307   2HO*    G  29          2HO*        G  29  -6.669 -21.643  -7.837
  308    H1*    G  29           H1*        G  29  -6.989 -19.517  -7.379
  309    H8     G  29           H8         G  29  -8.300 -18.480  -4.091
  310    H1     G  29           H1         G  29  -2.711 -15.688  -5.549
  311   1H2     G  29          H21         G  29  -2.515 -18.063  -8.054
  312   2H2     G  29          H22         G  29  -1.774 -16.696  -7.254
  313   1H5*    C  30          1H5*        C  30  -4.330 -23.321  -6.560
  314   2H5*    C  30          2H5*        C  30  -3.850 -24.809  -5.721
  315    H4*    C  30           H4*        C  30  -1.923 -23.437  -6.009
  316    H3*    C  30           H3*        C  30  -2.871 -23.624  -3.161
  317    H2*    C  30           H2*        C  30  -1.043 -22.206  -2.504
  318   2HO*    C  30          2HO*        C  30   0.730 -22.006  -3.725
  319    H1*    C  30           H1*        C  30  -1.303 -20.417  -4.661
  320   1H4     C  30          H41         C  30  -5.912 -18.701  -0.258
  321   2H4     C  30          H42         C  30  -4.569 -17.598  -0.021
  322    H5     C  30           H5         C  30  -5.834 -20.556  -1.803
  323    H6     C  30           H6         C  30  -4.459 -21.735  -3.437
  324   1H5*    U  31          1H5*        U  31   1.182 -23.770  -3.208
  325   2H5*    U  31          2H5*        U  31   1.693 -25.377  -2.656
  326    H4*    U  31           H4*        U  31   3.169 -23.880  -1.643
  327    H3*    U  31           H3*        U  31   1.074 -24.781   0.317
  328    H2*    U  31           H2*        U  31   2.114 -23.409   1.992
  329   2HO*    U  31          2HO*        U  31   4.273 -23.774   0.348
  330    H1*    U  31           H1*        U  31   2.575 -21.214   0.284
  331    H3     U  31           H3         U  31  -0.626 -19.611   3.015
  332    H5     U  31           H5         U  31  -2.664 -22.324   0.540
  333    H6     U  31           H6         U  31  -0.532 -22.986  -0.361
  334    H3T    U  31           H3T        U  31   2.460 -26.316  -0.186
  Start of MODEL   23
    1   1H5*    A   1          1H5*        A   1   0.076 -12.366   7.460
    2   2H5*    A   1          2H5*        A   1   0.650 -13.717   8.455
    3    H4*    A   1           H4*        A   1   2.895 -12.487   7.209
    4    H3*    A   1           H3*        A   1   0.622 -12.938   5.293
    5    H2*    A   1           H2*        A   1   2.193 -13.906   3.740
    6   2HO*    A   1          2HO*        A   1   4.259 -13.297   5.605
    7    H1*    A   1           H1*        A   1   3.480 -15.491   5.635
    8    H8     A   1           H8         A   1   0.111 -15.810   6.911
    9   1H6     A   1          H61         A   1  -1.247 -19.605   2.207
   10   2H6     A   1          H62         A   1  -1.772 -19.009   3.766
   11    H2     A   1           H2         A   1   2.623 -17.547   1.264
   12    H5T    A   1           H5T        A   1   2.109 -11.335   8.528
   13   1H5*    G   2          1H5*        G   2   3.689 -11.522   3.236
   14   2H5*    G   2          2H5*        G   2   3.350 -10.057   2.294
   15    H4*    G   2           H4*        G   2   4.527 -11.696   0.961
   16    H3*    G   2           H3*        G   2   1.727 -11.023   0.111
   17    H2*    G   2           H2*        G   2   1.913 -12.598  -1.693
   18   2HO*    G   2          2HO*        G   2   3.859 -12.580  -2.572
   19    H1*    G   2           H1*        G   2   3.211 -14.595  -0.221
   20    H8     G   2           H8         G   2   0.759 -13.508   2.224
   21    H1     G   2           H1         G   2  -1.994 -16.639  -2.647
   22   1H2     G   2          H21         G   2   1.034 -16.177  -4.262
   23   2H2     G   2          H22         G   2  -0.592 -16.825  -4.328
   24   1H5*    U   3          1H5*        U   3   4.172 -10.444  -3.625
   25   2H5*    U   3          2H5*        U   3   3.443  -9.000  -4.354
   26    H4*    U   3           H4*        U   3   3.518 -10.855  -5.921
   27    H3*    U   3           H3*        U   3   0.767  -9.932  -5.107
   28    H2*    U   3           H2*        U   3  -0.124 -11.549  -6.671
   29   2HO*    U   3          2HO*        U   3   1.855 -11.112  -8.112
   30    H1*    U   3           H1*        U   3   1.571 -13.612  -5.838
   31    H3     U   3           H3         U   3  -2.407 -14.817  -4.079
   32    H5     U   3           H5         U   3  -1.078 -11.708  -1.589
   33    H6     U   3           H6         U   3   0.730 -11.346  -3.132
   34   1H5*    A   4          1H5*        A   4   0.661  -8.874  -9.477
   35   2H5*    A   4          2H5*        A   4  -0.353  -7.420  -9.542
   36    H4*    A   4           H4*        A   4  -1.172  -9.335 -10.899
   37    H3*    A   4           H3*        A   4  -2.978  -8.165  -8.791
   38    H2*    A   4           H2*        A   4  -4.689  -9.714  -9.552
   39   2HO*    A   4          2HO*        A   4  -3.012 -11.009 -11.359
   40    H1*    A   4           H1*        A   4  -2.994 -11.910  -9.481
   41    H8     A   4           H8         A   4  -1.602 -10.067  -6.675
   42   1H6     A   4          H61         A   4  -6.486 -11.752  -3.264
   43   2H6     A   4          H62         A   4  -4.868 -11.089  -3.224
   44    H2     A   4           H2         A   4  -7.446 -12.564  -7.571
   45   1H5*    G   5          1H5*        G   5  -5.389  -6.507 -12.083
   46   2H5*    G   5          2H5*        G   5  -5.796  -4.882 -11.502
   47    H4*    G   5           H4*        G   5  -7.756  -6.322 -11.828
   48    H3*    G   5           H3*        G   5  -7.262  -5.319  -9.026
   49    H2*    G   5           H2*        G   5  -9.363  -6.374  -8.424
   50   2HO*    G   5          2HO*        G   5 -10.411  -7.581 -10.280
   51    H1*    G   5           H1*        G   5  -8.764  -8.772  -9.729
   52    H8     G   5           H8         G   5  -5.508  -7.671  -8.380
   53    H1     G   5           H1         G   5  -9.454  -9.961  -3.867
   54   1H2     G   5          H21         G   5 -11.889  -9.727  -6.297
   55   2H2     G   5          H22         G   5 -11.481 -10.155  -4.651
   56   1H5*    A   6          1H5*        A   6 -11.007  -5.056  -9.864
   57   2H5*    A   6          2H5*        A   6 -11.783  -3.489  -9.571
   58    H4*    A   6           H4*        A   6 -12.988  -5.435  -8.615
   59    H3*    A   6           H3*        A   6 -12.855  -2.973  -7.479
   60    H2*    A   6           H2*        A   6 -11.018  -3.451  -5.974
   61   2HO*    A   6          2HO*        A   6 -13.534  -3.821  -4.886
   62    H1*    A   6           H1*        A   6 -12.301  -6.216  -5.509
   63    H8     A   6           H8         A   6  -8.768  -5.198  -6.623
   64   1H6     A   6          H61         A   6  -6.851  -7.489  -1.204
   65   2H6     A   6          H62         A   6  -6.357  -6.810  -2.743
   66    H2     A   6           H2         A   6 -11.339  -7.673  -1.280
   67   1H5*    A   7          1H5*        A   7 -15.180  -4.890  -3.997
   68   2H5*    A   7          2H5*        A   7 -16.478  -3.719  -3.695
   69    H4*    A   7           H4*        A   7 -15.465  -3.941  -1.630
   70    H3*    A   7           H3*        A   7 -14.316  -1.488  -2.947
   71    H2*    A   7           H2*        A   7 -12.826  -1.237  -1.120
   72   2HO*    A   7          2HO*        A   7 -14.394  -3.016   0.446
   73    H1*    A   7           H1*        A   7 -12.892  -4.093  -0.389
   74    H8     A   7           H8         A   7 -11.335  -3.013  -3.703
   75   1H6     A   7          H61         A   7  -5.947  -3.142  -0.645
   76   2H6     A   7          H62         A   7  -6.697  -2.970  -2.218
   77    H2     A   7           H2         A   7  -9.251  -3.692   2.328
   78   1H5*    A   8          1H5*        A   8 -15.851   2.075   0.069
   79   2H5*    A   8          2H5*        A   8 -14.180   2.582  -0.239
   80    H4*    A   8           H4*        A   8 -15.289   0.825   1.849
   81    H3*    A   8           H3*        A   8 -12.962   2.731   1.687
   82    H2*    A   8           H2*        A   8 -11.906   1.530   3.460
   83   2HO*    A   8          2HO*        A   8 -13.371   1.131   4.988
   84    H1*    A   8           H1*        A   8 -12.882  -1.044   2.663
   85    H8     A   8           H8         A   8 -11.365   0.542  -0.308
   86   1H6     A   8          H61         A   8  -5.838  -1.338   1.754
   87   2H6     A   8          H62         A   8  -6.712  -0.669   0.396
   88    H2     A   8           H2         A   8  -8.822  -1.912   5.055
   89   1H5*    C   9          1H5*        C   9 -13.464   5.463   6.206
   90   2H5*    C   9          2H5*        C   9 -12.373   6.011   4.918
   91    H4*    C   9           H4*        C   9 -11.752   4.765   7.410
   92    H3*    C   9           H3*        C   9 -10.157   6.059   5.237
   93    H2*    C   9           H2*        C   9  -8.167   4.917   5.964
   94   2HO*    C   9          2HO*        C   9  -8.144   3.750   7.907
   95    H1*    C   9           H1*        C   9  -9.320   2.419   6.236
   96   1H4     C   9          H41         C   9  -9.082   3.158  -0.299
   97   2H4     C   9          H42         C   9  -7.457   2.667   0.157
   98    H5     C   9           H5         C   9 -10.805   3.687   1.334
   99    H6     C   9           H6         C   9 -11.307   3.842   3.713
  100   1H5*    A  10          1H5*        A  10  -7.279   9.207   8.785
  101   2H5*    A  10          2H5*        A  10  -6.679   9.057   7.122
  102    H4*    A  10           H4*        A  10  -5.621   7.986   9.626
  103    H3*    A  10           H3*        A  10  -4.485   8.917   7.052
  104    H2*    A  10           H2*        A  10  -2.747   7.272   7.028
  105   2HO*    A  10          2HO*        A  10  -2.065   6.311   8.849
  106    H1*    A  10           H1*        A  10  -4.243   5.092   7.788
  107    H8     A  10           H8         A  10  -6.880   6.746   5.945
  108   1H6     A  10          H61         A  10  -4.139   5.093   0.647
  109   2H6     A  10          H62         A  10  -5.605   5.710   1.374
  110    H2     A  10           H2         A  10  -1.209   4.462   3.984
  111   1H5*    A  11          1H5*        A  11  -0.504  12.086   8.765
  112   2H5*    A  11          2H5*        A  11  -0.943  11.920   7.055
  113    H4*    A  11           H4*        A  11   1.406  10.995   8.492
  114    H3*    A  11           H3*        A  11   0.761  11.717   5.684
  115    H2*    A  11           H2*        A  11   2.286  10.118   4.767
  116   2HO*    A  11          2HO*        A  11   3.173   9.669   7.448
  117    H1*    A  11           H1*        A  11   1.676   7.995   6.425
  118    H8     A  11           H8         A  11  -1.668   9.358   6.261
  119   1H6     A  11          H61         A  11  -2.224   7.152   0.505
  120   2H6     A  11          H62         A  11  -3.081   7.816   1.877
  121    H2     A  11           H2         A  11   2.112   6.997   1.639
  122   1H5*    G  12          1H5*        G  12   5.031  12.316   5.268
  123   2H5*    G  12          2H5*        G  12   5.132  13.986   4.677
  124    H4*    G  12           H4*        G  12   6.263  12.358   3.220
  125    H3*    G  12           H3*        G  12   4.091  14.106   2.155
  126    H2*    G  12           H2*        G  12   4.137  12.979   0.032
  127   2HO*    G  12          2HO*        G  12   5.926  11.054   0.360
  128    H1*    G  12           H1*        G  12   4.204  10.409   1.008
  129    H8     G  12           H8         G  12   2.243  12.840   3.209
  130    H1     G  12           H1         G  12  -1.188   9.794  -1.272
  131   1H2     G  12          H21         G  12   1.873   8.633  -2.397
  132   2H2     G  12          H22         G  12   0.134   8.656  -2.603
  133   1H5*    G  13          1H5*        G  13   6.944  13.458  -1.018
  134   2H5*    G  13          2H5*        G  13   7.386  15.090  -1.557
  135    H4*    G  13           H4*        G  13   6.817  13.735  -3.454
  136    H3*    G  13           H3*        G  13   4.955  15.995  -2.829
  137    H2*    G  13           H2*        G  13   3.497  15.330  -4.608
  138   2HO*    G  13          2HO*        G  13   4.197  13.671  -6.093
  139    H1*    G  13           H1*        G  13   3.659  12.577  -4.163
  140    H8     G  13           H8         G  13   3.490  14.597  -0.964
  141    H1     G  13           H1         G  13  -2.196  13.074  -3.515
  142   1H2     G  13          H21         G  13  -0.350  11.985  -6.231
  143   2H2     G  13          H22         G  13  -1.931  12.201  -5.508
  144   1H5*    C  14          1H5*        C  14   6.513  16.217  -7.131
  145   2H5*    C  14          2H5*        C  14   6.341  17.884  -7.714
  146    H4*    C  14           H4*        C  14   5.272  16.150  -9.151
  147    H3*    C  14           H3*        C  14   3.641  18.433  -8.069
  148    H2*    C  14           H2*        C  14   1.716  17.534  -9.234
  149   2HO*    C  14          2HO*        C  14   3.622  15.671 -10.274
  150    H1*    C  14           H1*        C  14   2.013  15.003  -8.208
  151   1H4     C  14          H41         C  14   0.359  18.808  -3.075
  152   2H4     C  14          H42         C  14  -1.156  18.474  -3.897
  153    H5     C  14           H5         C  14   2.505  18.130  -3.956
  154    H6     C  14           H6         C  14   3.638  16.997  -5.804
  155   1H5*    U  15          1H5*        U  15   1.569  18.325 -11.358
  156   2H5*    U  15          2H5*        U  15   1.321  20.017 -11.829
  157    H4*    U  15           H4*        U  15  -0.708  18.652 -11.088
  158    H3*    U  15           H3*        U  15  -0.099  21.424 -10.132
  159    H2*    U  15           H2*        U  15  -2.087  21.358  -8.746
  160   2HO*    U  15          2HO*        U  15  -3.492  19.581  -8.850
  161    H1*    U  15           H1*        U  15  -1.482  18.930  -7.606
  162    H3     U  15           H3         U  15  -0.190  22.351  -4.785
  163    H5     U  15           H5         U  15   3.185  21.265  -7.039
  164    H6     U  15           H6         U  15   1.736  19.955  -8.436
  165   1H5*    U  16          1H5*        U  16  -3.956  22.280 -13.715
  166   2H5*    U  16          2H5*        U  16  -4.073  23.931 -13.079
  167    H4*    U  16           H4*        U  16  -6.263  23.347 -13.092
  168    H3*    U  16           H3*        U  16  -5.367  23.565 -10.548
  169    H2*    U  16           H2*        U  16  -5.003  21.199 -10.170
  170   2HO*    U  16          2HO*        U  16  -6.424  21.236  -8.569
  171    H1*    U  16           H1*        U  16  -7.623  20.717 -11.726
  172    H3     U  16           H3         U  16  -7.251  16.356 -10.642
  173    H5     U  16           H5         U  16  -3.582  17.264 -12.468
  174    H6     U  16           H6         U  16  -4.260  19.570 -12.514
  175   1H5*    C  17          1H5*        C  17  -8.199  22.388  -8.726
  176   2H5*    C  17          2H5*        C  17  -9.423  23.573  -8.224
  177    H4*    C  17           H4*        C  17  -8.790  22.187  -6.357
  178    H3*    C  17           H3*        C  17  -9.137  24.740  -5.958
  179    H2*    C  17           H2*        C  17  -6.910  25.457  -6.696
  180   2HO*    C  17          2HO*        C  17  -6.640  26.494  -4.848
  181    H1*    C  17           H1*        C  17  -5.721  23.291  -4.884
  182   1H4     C  17          H41         C  17  -1.160  24.488  -9.484
  183   2H4     C  17          H42         C  17  -0.607  25.342  -8.057
  184    H5     C  17           H5         C  17  -3.328  23.399  -9.603
  185    H6     C  17           H6         C  17  -5.381  22.912  -8.371
  186   1H5*    G  18          1H5*        G  18 -11.672  23.113  -5.339
  187   2H5*    G  18          2H5*        G  18 -12.697  22.443  -4.057
  188    H4*    G  18           H4*        G  18 -12.518  20.717  -5.583
  189    H3*    G  18           H3*        G  18 -10.609  20.236  -3.322
  190    H2*    G  18           H2*        G  18  -9.550  18.512  -4.500
  191   2HO*    G  18          2HO*        G  18 -12.081  17.868  -4.918
  192    H1*    G  18           H1*        G  18 -10.532  19.315  -7.174
  193    H8     G  18           H8         G  18  -8.571  18.804  -8.529
  194    H1     G  18           H1         G  18  -4.489  21.134  -4.188
  195   1H2     G  18          H21         G  18  -7.341  21.700  -2.244
  196   2H2     G  18          H22         G  18  -5.598  21.821  -2.374
  197   1H5*    G  19          1H5*        G  19 -10.633  15.905  -1.805
  198   2H5*    G  19          2H5*        G  19  -9.114  16.800  -1.629
  199    H4*    G  19           H4*        G  19 -10.600  16.489  -4.225
  200    H3*    G  19           H3*        G  19  -8.459  14.704  -3.128
  201    H2*    G  19           H2*        G  19  -7.404  14.690  -5.300
  202   2HO*    G  19          2HO*        G  19  -8.488  15.321  -7.119
  203    H1*    G  19           H1*        G  19  -7.778  17.449  -5.800
  204    H8     G  19           H8         G  19  -6.985  17.640  -2.325
  205    H1     G  19           H1         G  19  -1.778  16.058  -5.717
  206   1H2     G  19          H21         G  19  -3.997  15.328  -8.242
  207   2H2     G  19          H22         G  19  -2.330  15.347  -7.700
  208   1H5*    C  20          1H5*        C  20 -10.121  12.287  -6.314
  209   2H5*    C  20          2H5*        C  20 -10.055  10.584  -5.817
  210    H4*    C  20           H4*        C  20  -8.738  10.990  -7.818
  211    H3*    C  20           H3*        C  20  -7.386   9.972  -5.372
  212    H2*    C  20           H2*        C  20  -5.205  10.280  -6.303
  213   2HO*    C  20          2HO*        C  20  -6.643  10.067  -8.632
  214    H1*    C  20           H1*        C  20  -5.623  12.739  -7.490
  215   1H4     C  20          H41         C  20  -5.037  14.126  -1.073
  216   2H4     C  20          H42         C  20  -3.524  14.599  -1.812
  217    H5     C  20           H5         C  20  -6.800  13.043  -2.256
  218    H6     C  20           H6         C  20  -7.537  12.191  -4.395
  219   1H5*    C  21          1H5*        C  21  -5.085   8.837  -8.490
  220   2H5*    C  21          2H5*        C  21  -5.105   7.065  -8.573
  221    H4*    C  21           H4*        C  21  -2.860   7.655  -8.771
  222    H3*    C  21           H3*        C  21  -3.512   6.654  -6.027
  223    H2*    C  21           H2*        C  21  -1.254   7.080  -5.314
  224   2HO*    C  21          2HO*        C  21   0.293   6.941  -6.761
  225    H1*    C  21           H1*        C  21  -1.043   9.595  -6.468
  226   1H4     C  21          H41         C  21  -4.962  10.304  -1.165
  227   2H4     C  21          H42         C  21  -3.373  10.875  -0.684
  228    H5     C  21           H5         C  21  -5.404   9.317  -3.332
  229    H6     C  21           H6         C  21  -4.405   8.687  -5.483
  230   1H5*    U  22          1H5*        U  22  -0.130   4.148  -7.640
  231   2H5*    U  22          2H5*        U  22  -0.602   2.467  -7.323
  232    H4*    U  22           H4*        U  22   1.654   2.722  -6.653
  233    H3*    U  22           H3*        U  22  -0.269   2.447  -4.369
  234    H2*    U  22           H2*        U  22   1.533   2.720  -2.803
  235   2HO*    U  22          2HO*        U  22   2.977   1.429  -4.292
  236    H1*    U  22           H1*        U  22   2.790   4.826  -4.144
  237    H3     U  22           H3         U  22   0.945   6.922  -0.604
  238    H5     U  22           H5         U  22  -2.305   6.153  -3.149
  239    H6     U  22           H6         U  22  -0.819   4.862  -4.532
  240   1H5*    G  23          1H5*        G  23   2.517   0.652  -2.525
  241   2H5*    G  23          2H5*        G  23   1.857  -0.832  -1.812
  242    H4*    G  23           H4*        G  23   2.651   1.155  -0.308
  243    H3*    G  23           H3*        G  23   0.307  -0.652   0.146
  244    H2*    G  23           H2*        G  23  -0.347   0.659   2.060
  245   2HO*    G  23          2HO*        G  23   2.058   1.021   2.532
  246    H1*    G  23           H1*        G  23  -0.017   3.136   0.848
  247    H8     G  23           H8         G  23  -1.227   1.349  -2.038
  248    H1     G  23           H1         G  23  -5.852   2.059   2.350
  249   1H2     G  23          H21         G  23  -3.274   2.868   4.509
  250   2H2     G  23          H22         G  23  -4.994   2.644   4.279
  251   1H5*    C  24          1H5*        C  24  -0.418  -2.956   3.503
  252   2H5*    C  24          2H5*        C  24  -0.721  -1.226   3.247
  253    H4*    C  24           H4*        C  24   0.853  -1.786   5.639
  254    H3*    C  24           H3*        C  24  -1.837  -3.108   5.411
  255    H2*    C  24           H2*        C  24  -2.327  -2.410   7.663
  256   2HO*    C  24          2HO*        C  24   0.313  -2.511   7.903
  257    H1*    C  24           H1*        C  24  -1.382   0.198   7.333
  258   1H4     C  24          H41         C  24  -7.211   0.211   4.276
  259   2H4     C  24          H42         C  24  -7.606   0.379   5.978
  260    H5     C  24           H5         C  24  -4.967  -0.212   3.483
  261    H6     C  24           H6         C  24  -2.649  -0.564   4.153
  262   1H5*    U  25          1H5*        U  25  -2.321  -4.717   7.866
  263   2H5*    U  25          2H5*        U  25  -2.169  -6.483   7.778
  264    H4*    U  25           H4*        U  25  -4.419  -5.867   8.370
  265    H3*    U  25           H3*        U  25  -4.058  -7.163   5.684
  266    H2*    U  25           H2*        U  25  -6.443  -7.003   5.335
  267   2HO*    U  25          2HO*        U  25  -7.481  -7.295   7.199
  268    H1*    U  25           H1*        U  25  -6.640  -4.360   6.095
  269    H3     U  25           H3         U  25  -6.797  -4.405   1.549
  270    H5     U  25           H5         U  25  -2.714  -4.325   2.518
  271    H6     U  25           H6         U  25  -3.328  -4.722   4.813
  272   1H5*    U  26          1H5*        U  26  -7.360  -9.218   7.874
  273   2H5*    U  26          2H5*        U  26  -7.157 -10.941   7.504
  274    H4*    U  26           H4*        U  26  -9.438 -10.201   7.114
  275    H3*    U  26           H3*        U  26  -7.897 -11.115   4.695
  276    H2*    U  26           H2*        U  26  -9.899 -10.746   3.386
  277   2HO*    U  26          2HO*        U  26 -11.847 -10.572   4.317
  278    H1*    U  26           H1*        U  26 -10.418  -8.237   4.469
  279    H3     U  26           H3         U  26  -8.725  -7.443   0.324
  280    H5     U  26           H5         U  26  -5.373  -8.085   2.771
  281    H6     U  26           H6         U  26  -6.878  -8.753   4.524
  282   1H5*    U  27          1H5*        U  27 -11.623 -12.806   4.551
  283   2H5*    U  27          2H5*        U  27 -11.585 -14.475   3.948
  284    H4*    U  27           H4*        U  27 -13.065 -12.993   2.652
  285    H3*    U  27           H3*        U  27 -10.760 -14.299   1.218
  286    H2*    U  27           H2*        U  27 -11.609 -13.301  -0.826
  287   2HO*    U  27          2HO*        U  27 -13.628 -12.551  -0.950
  288    H1*    U  27           H1*        U  27 -11.855 -10.769   0.283
  289    H3     U  27           H3         U  27  -8.068 -10.851  -2.264
  290    H5     U  27           H5         U  27  -6.900 -12.186   1.542
  291    H6     U  27           H6         U  27  -9.228 -12.333   2.117
  292   1H5*    U  28          1H5*        U  28 -14.038 -16.122  -1.158
  293   2H5*    U  28          2H5*        U  28 -13.472 -17.785  -1.403
  294    H4*    U  28           H4*        U  28 -13.907 -16.607  -3.506
  295    H3*    U  28           H3*        U  28 -11.057 -17.473  -3.021
  296    H2*    U  28           H2*        U  28 -10.597 -16.713  -5.281
  297   2HO*    U  28          2HO*        U  28 -12.577 -15.630  -6.306
  298    H1*    U  28           H1*        U  28 -11.890 -14.270  -4.902
  299    H3     U  28           H3         U  28  -7.371 -13.568  -4.788
  300    H5     U  28           H5         U  28  -8.482 -14.528  -0.852
  301    H6     U  28           H6         U  28 -10.651 -15.140  -1.696
  302   1H5*    G  29          1H5*        G  29 -11.424 -20.583  -5.991
  303   2H5*    G  29          2H5*        G  29 -10.651 -21.978  -5.214
  304    H4*    G  29           H4*        G  29  -9.450 -21.173  -7.209
  305    H3*    G  29           H3*        G  29  -7.972 -21.119  -4.582
  306    H2*    G  29           H2*        G  29  -6.088 -20.209  -5.715
  307   2HO*    G  29          2HO*        G  29  -5.691 -20.642  -7.827
  308    H1*    G  29           H1*        G  29  -7.664 -18.844  -7.747
  309    H8     G  29           H8         G  29  -8.583 -17.733  -4.321
  310    H1     G  29           H1         G  29  -3.299 -14.896  -6.591
  311   1H2     G  29          H21         G  29  -3.422 -17.308  -9.067
  312   2H2     G  29          H22         G  29  -2.599 -15.917  -8.397
  313   1H5*    C  30          1H5*        C  30  -5.445 -23.055  -7.704
  314   2H5*    C  30          2H5*        C  30  -4.533 -24.306  -6.837
  315    H4*    C  30           H4*        C  30  -3.129 -22.734  -8.139
  316    H3*    C  30           H3*        C  30  -2.683 -23.073  -5.193
  317    H2*    C  30           H2*        C  30  -0.940 -21.421  -5.264
  318   2HO*    C  30          2HO*        C  30  -0.233 -20.610  -7.324
  319    H1*    C  30           H1*        C  30  -2.286 -19.634  -6.956
  320   1H4     C  30          H41         C  30  -4.862 -18.709  -0.948
  321   2H4     C  30          H42         C  30  -3.708 -17.413  -1.207
  322    H5     C  30           H5         C  30  -5.172 -20.517  -2.525
  323    H6     C  30           H6         C  30  -4.445 -21.449  -4.656
  324   1H5*    U  31          1H5*        U  31   0.835 -22.517  -6.957
  325   2H5*    U  31          2H5*        U  31   2.035 -23.743  -6.504
  326    H4*    U  31           H4*        U  31   2.851 -21.447  -6.213
  327    H3*    U  31           H3*        U  31   2.672 -23.193  -3.768
  328    H2*    U  31           H2*        U  31   3.581 -21.388  -2.477
  329   2HO*    U  31          2HO*        U  31   5.129 -20.840  -4.221
  330    H1*    U  31           H1*        U  31   2.111 -19.358  -3.808
  331    H3     U  31           H3         U  31   0.507 -19.344   0.428
  332    H5     U  31           H5         U  31  -1.323 -22.653  -1.399
  333    H6     U  31           H6         U  31   0.124 -22.311  -3.293
  334    H3T    U  31           H3T        U  31   4.997 -22.213  -4.870
  Start of MODEL   24
    1   1H5*    A   1          1H5*        A   1  -1.287  -9.874   9.009
    2   2H5*    A   1          2H5*        A   1  -2.011  -9.552   7.423
    3    H4*    A   1           H4*        A   1   0.498  -9.406   7.576
    4    H3*    A   1           H3*        A   1  -0.949 -10.952   5.471
    5    H2*    A   1           H2*        A   1   1.125 -11.819   4.605
    6   2HO*    A   1          2HO*        A   1   3.128 -11.072   5.612
    7    H1*    A   1           H1*        A   1   2.206 -12.536   7.041
    8    H8     A   1           H8         A   1  -1.255 -13.185   7.882
    9   1H6     A   1          H61         A   1  -1.076 -18.317   4.423
   10   2H6     A   1          H62         A   1  -1.977 -17.436   5.637
   11    H2     A   1           H2         A   1   2.540 -15.854   3.445
   12    H5T    A   1           H5T        A   1  -2.309 -11.728   7.120
   13   1H5*    G   2          1H5*        G   2   1.822  -8.663   3.361
   14   2H5*    G   2          2H5*        G   2   1.161  -7.885   1.910
   15    H4*    G   2           H4*        G   2   3.137  -9.331   1.505
   16    H3*    G   2           H3*        G   2   0.568  -9.799   0.033
   17    H2*    G   2           H2*        G   2   1.536 -11.720  -1.059
   18   2HO*    G   2          2HO*        G   2   3.609 -11.267  -1.506
   19    H1*    G   2           H1*        G   2   2.682 -12.807   1.234
   20    H8     G   2           H8         G   2  -0.283 -11.535   2.820
   21    H1     G   2           H1         G   2  -1.650 -16.439  -1.081
   22   1H2     G   2          H21         G   2   1.499 -15.886  -2.401
   23   2H2     G   2          H22         G   2   0.027 -16.830  -2.439
   24   1H5*    U   3          1H5*        U   3   3.384  -9.097  -3.471
   25   2H5*    U   3          2H5*        U   3   2.429  -7.996  -4.483
   26    H4*    U   3           H4*        U   3   3.140  -9.878  -5.785
   27    H3*    U   3           H3*        U   3   0.178  -9.812  -5.236
   28    H2*    U   3           H2*        U   3  -0.011 -11.788  -6.635
   29   2HO*    U   3          2HO*        U   3   1.957 -10.894  -7.930
   30    H1*    U   3           H1*        U   3   2.058 -13.129  -5.362
   31    H3     U   3           H3         U   3  -1.745 -14.963  -3.685
   32    H5     U   3           H5         U   3  -1.213 -11.411  -1.509
   33    H6     U   3           H6         U   3   0.578 -10.847  -3.014
   34   1H5*    A   4          1H5*        A   4   0.162  -9.173  -9.765
   35   2H5*    A   4          2H5*        A   4  -1.278  -8.169 -10.023
   36    H4*    A   4           H4*        A   4  -1.262 -10.328 -11.260
   37    H3*    A   4           H3*        A   4  -3.546  -9.703  -9.401
   38    H2*    A   4           H2*        A   4  -4.550 -11.816 -10.075
   39   2HO*    A   4          2HO*        A   4  -4.016 -12.631 -11.968
   40    H1*    A   4           H1*        A   4  -2.245 -13.274  -9.625
   41    H8     A   4           H8         A   4  -1.784 -10.706  -7.084
   42   1H6     A   4          H61         A   4  -6.062 -13.480  -3.584
   43   2H6     A   4          H62         A   4  -4.775 -12.296  -3.611
   44    H2     A   4           H2         A   4  -6.335 -15.187  -7.726
   45   1H5*    G   5          1H5*        G   5  -6.149  -9.324 -12.900
   46   2H5*    G   5          2H5*        G   5  -7.081  -7.854 -12.556
   47    H4*    G   5           H4*        G   5  -8.441  -9.915 -12.686
   48    H3*    G   5           H3*        G   5  -8.492  -8.312 -10.136
   49    H2*    G   5           H2*        G   5 -10.127  -9.883  -9.289
   50   2HO*    G   5          2HO*        G   5 -10.026 -11.035 -11.907
   51    H1*    G   5           H1*        G   5  -8.714 -12.146 -10.110
   52    H8     G   5           H8         G   5  -5.941 -10.008  -9.143
   53    H1     G   5           H1         G   5  -9.329 -11.964  -4.056
   54   1H2     G   5          H21         G   5 -11.731 -12.856  -6.367
   55   2H2     G   5          H22         G   5 -11.256 -12.763  -4.686
   56   1H5*    A   6          1H5*        A   6 -12.135  -9.506 -10.585
   57   2H5*    A   6          2H5*        A   6 -13.256  -8.141 -10.745
   58    H4*    A   6           H4*        A   6 -13.973  -9.874  -9.129
   59    H3*    A   6           H3*        A   6 -14.411  -7.220  -8.844
   60    H2*    A   6           H2*        A   6 -12.526  -6.714  -7.426
   61   2HO*    A   6          2HO*        A   6 -14.711  -7.620  -5.864
   62    H1*    A   6           H1*        A   6 -12.973  -9.372  -5.957
   63    H8     A   6           H8         A   6  -9.918  -8.100  -7.899
   64   1H6     A   6          H61         A   6  -7.148  -7.627  -2.381
   65   2H6     A   6          H62         A   6  -6.936  -7.506  -4.118
   66    H2     A   6           H2         A   6 -11.425  -8.814  -1.699
   67   1H5*    A   7          1H5*        A   7 -16.271  -8.726  -4.792
   68   2H5*    A   7          2H5*        A   7 -17.739  -7.742  -4.631
   69    H4*    A   7           H4*        A   7 -16.605  -7.483  -2.611
   70    H3*    A   7           H3*        A   7 -16.117  -5.065  -4.339
   71    H2*    A   7           H2*        A   7 -14.637  -4.217  -2.702
   72   2HO*    A   7          2HO*        A   7 -15.488  -5.957  -0.678
   73    H1*    A   7           H1*        A   7 -14.076  -6.876  -1.537
   74    H8     A   7           H8         A   7 -12.821  -6.014  -5.034
   75   1H6     A   7          H61         A   7  -7.497  -4.539  -2.222
   76   2H6     A   7          H62         A   7  -8.279  -4.780  -3.770
   77    H2     A   7           H2         A   7 -10.585  -5.278   0.935
   78   1H5*    A   8          1H5*        A   8 -18.896  -2.292  -0.710
   79   2H5*    A   8          2H5*        A   8 -17.875  -1.025  -1.418
   80    H4*    A   8           H4*        A   8 -17.841  -2.062   1.215
   81    H3*    A   8           H3*        A   8 -16.257   0.061  -0.199
   82    H2*    A   8           H2*        A   8 -14.652   0.028   1.599
   83   2HO*    A   8          2HO*        A   8 -15.728  -0.242   3.463
   84    H1*    A   8           H1*        A   8 -14.483  -2.748   1.767
   85    H8     A   8           H8         A   8 -14.936  -1.963  -1.853
   86   1H6     A   8          H61         A   8  -8.834  -0.948  -2.107
   87   2H6     A   8          H62         A   8 -10.294  -1.153  -3.047
   88    H2     A   8           H2         A   8 -10.007  -1.303   2.207
   89   1H5*    C   9          1H5*        C   9 -16.920   2.547   4.215
   90   2H5*    C   9          2H5*        C   9 -16.797   3.991   3.191
   91    H4*    C   9           H4*        C   9 -15.111   3.529   5.164
   92    H3*    C   9           H3*        C   9 -14.579   4.871   2.543
   93    H2*    C   9           H2*        C   9 -12.223   4.941   3.021
   94   2HO*    C   9          2HO*        C   9 -11.840   3.770   5.285
   95    H1*    C   9           H1*        C   9 -12.015   2.333   3.956
   96   1H4     C   9          H41         C   9 -12.608   1.639  -2.576
   97   2H4     C   9          H42         C   9 -10.883   1.740  -2.258
   98    H5     C   9           H5         C   9 -14.289   1.970  -0.850
   99    H6     C   9           H6         C   9 -14.644   2.450   1.513
  100   1H5*    A  10          1H5*        A  10 -11.535   8.719   4.822
  101   2H5*    A  10          2H5*        A  10 -11.684   8.457   3.073
  102    H4*    A  10           H4*        A  10  -9.774   7.231   5.026
  103    H3*    A  10           H3*        A  10  -9.471   8.951   2.618
  104    H2*    A  10           H2*        A  10  -7.633   7.669   1.777
  105   2HO*    A  10          2HO*        A  10  -6.599   6.121   3.081
  106    H1*    A  10           H1*        A  10  -8.658   5.149   2.288
  107    H8     A  10           H8         A  10 -11.789   6.705   1.377
  108   1H6     A  10          H61         A  10 -10.017   6.652  -4.556
  109   2H6     A  10          H62         A  10 -11.366   6.863  -3.462
  110    H2     A  10           H2         A  10  -6.412   5.825  -2.018
  111   1H5*    A  11          1H5*        A  11  -5.328  10.615   5.772
  112   2H5*    A  11          2H5*        A  11  -4.806  11.420   4.280
  113    H4*    A  11           H4*        A  11  -3.286   9.754   5.851
  114    H3*    A  11           H3*        A  11  -2.916  10.853   3.104
  115    H2*    A  11           H2*        A  11  -1.224   9.237   2.582
  116   2HO*    A  11          2HO*        A  11   0.018   8.542   4.159
  117    H1*    A  11           H1*        A  11  -2.491   7.022   3.664
  118    H8     A  11           H8         A  11  -5.459   8.650   2.408
  119   1H6     A  11          H61         A  11  -3.855   7.011  -3.340
  120   2H6     A  11          H62         A  11  -5.145   7.622  -2.328
  121    H2     A  11           H2         A  11  -0.292   6.421  -0.683
  122   1H5*    G  12          1H5*        G  12   1.079  10.100   4.285
  123   2H5*    G  12          2H5*        G  12   1.834  11.705   4.267
  124    H4*    G  12           H4*        G  12   3.201  10.095   3.096
  125    H3*    G  12           H3*        G  12   2.071  12.373   1.534
  126    H2*    G  12           H2*        G  12   2.941  11.474  -0.521
  127   2HO*    G  12          2HO*        G  12   4.306   9.613  -0.463
  128    H1*    G  12           H1*        G  12   2.121   8.883  -0.126
  129    H8     G  12           H8         G  12  -0.250  11.384   1.485
  130    H1     G  12           H1         G  12  -1.546   9.965  -4.634
  131   1H2     G  12          H21         G  12   1.486   8.302  -4.582
  132   2H2     G  12          H22         G  12   0.071   8.765  -5.500
  133   1H5*    G  13          1H5*        G  13   5.820  11.343  -0.147
  134   2H5*    G  13          2H5*        G  13   6.800  12.822  -0.090
  135    H4*    G  13           H4*        G  13   6.982  11.869  -2.266
  136    H3*    G  13           H3*        G  13   5.430  14.430  -2.145
  137    H2*    G  13           H2*        G  13   5.024  14.287  -4.516
  138   2HO*    G  13          2HO*        G  13   6.507  13.355  -5.715
  139    H1*    G  13           H1*        G  13   4.391  11.573  -4.539
  140    H8     G  13           H8         G  13   3.111  13.249  -1.408
  141    H1     G  13           H1         G  13  -0.845  13.592  -6.449
  142   1H2     G  13          H21         G  13   1.823  12.360  -8.258
  143   2H2     G  13          H22         G  13   0.165  12.918  -8.265
  144   1H5*    C  14          1H5*        C  14   7.824  15.723  -5.427
  145   2H5*    C  14          2H5*        C  14   8.750  17.039  -4.681
  146    H4*    C  14           H4*        C  14   7.873  18.044  -6.552
  147    H3*    C  14           H3*        C  14   6.007  18.660  -4.267
  148    H2*    C  14           H2*        C  14   4.687  19.955  -5.819
  149   2HO*    C  14          2HO*        C  14   5.642  19.876  -8.126
  150    H1*    C  14           H1*        C  14   4.811  18.041  -7.875
  151   1H4     C  14          H41         C  14   0.243  15.849  -3.658
  152   2H4     C  14          H42         C  14  -0.604  16.959  -4.725
  153    H5     C  14           H5         C  14   2.629  15.533  -3.746
  154    H6     C  14           H6         C  14   4.695  16.208  -4.849
  155   1H5*    U  15          1H5*        U  15   5.803  22.614  -5.804
  156   2H5*    U  15          2H5*        U  15   6.111  23.517  -4.309
  157    H4*    U  15           H4*        U  15   3.933  24.030  -5.318
  158    H3*    U  15           H3*        U  15   4.011  22.901  -2.538
  159    H2*    U  15           H2*        U  15   1.607  22.977  -2.461
  160   2HO*    U  15          2HO*        U  15   0.587  23.784  -4.547
  161    H1*    U  15           H1*        U  15   1.218  21.842  -4.955
  162    H3     U  15           H3         U  15   0.332  18.488  -2.030
  163    H5     U  15           H5         U  15   4.518  18.558  -2.351
  164    H6     U  15           H6         U  15   4.310  20.598  -3.612
  165   1H5*    U  16          1H5*        U  16   2.211  27.632  -0.519
  166   2H5*    U  16          2H5*        U  16   1.556  26.340   0.506
  167    H4*    U  16           H4*        U  16  -0.227  27.800  -0.019
  168    H3*    U  16           H3*        U  16  -0.673  25.244  -0.361
  169    H2*    U  16           H2*        U  16   0.236  24.999  -2.591
  170   2HO*    U  16          2HO*        U  16  -2.449  25.853  -3.080
  171    H1*    U  16           H1*        U  16  -1.210  27.504  -3.550
  172    H3     U  16           H3         U  16   1.007  26.378  -7.363
  173    H5     U  16           H5         U  16   4.003  27.434  -4.615
  174    H6     U  16           H6         U  16   2.302  27.505  -2.909
  175   1H5*    C  17          1H5*        C  17  -3.960  24.478  -2.313
  176   2H5*    C  17          2H5*        C  17  -5.097  23.910  -1.075
  177    H4*    C  17           H4*        C  17  -4.271  22.262  -2.874
  178    H3*    C  17           H3*        C  17  -5.267  21.636  -0.412
  179    H2*    C  17           H2*        C  17  -3.109  21.629   0.716
  180   2HO*    C  17          2HO*        C  17  -3.253  19.014  -0.436
  181    H1*    C  17           H1*        C  17  -2.059  20.178  -1.795
  182   1H4     C  17          H41         C  17   3.451  22.494   0.899
  183   2H4     C  17          H42         C  17   3.465  20.786   1.316
  184    H5     C  17           H5         C  17   1.551  23.604  -0.072
  185    H6     C  17           H6         C  17  -0.683  23.286  -0.990
  186   1H5*    G  18          1H5*        G  18  -6.712  22.468  -1.948
  187   2H5*    G  18          2H5*        G  18  -8.311  21.864  -1.472
  188    H4*    G  18           H4*        G  18  -9.116  23.083  -3.137
  189    H3*    G  18           H3*        G  18  -7.985  20.777  -4.647
  190    H2*    G  18           H2*        G  18  -7.677  21.990  -6.600
  191   2HO*    G  18          2HO*        G  18  -9.428  23.837  -6.793
  192    H1*    G  18           H1*        G  18  -8.305  24.636  -5.298
  193    H8     G  18           H8         G  18  -7.186  25.823  -7.310
  194    H1     G  18           H1         G  18  -1.728  22.629  -6.197
  195   1H2     G  18          H21         G  18  -3.610  20.764  -3.995
  196   2H2     G  18          H22         G  18  -2.051  21.053  -4.733
  197   1H5*    G  19          1H5*        G  19  -8.850  17.346  -5.800
  198   2H5*    G  19          2H5*        G  19  -7.932  18.741  -5.209
  199    H4*    G  19           H4*        G  19  -8.816  18.865  -8.014
  200    H3*    G  19           H3*        G  19  -7.194  16.572  -7.136
  201    H2*    G  19           H2*        G  19  -5.304  17.066  -8.483
  202   2HO*    G  19          2HO*        G  19  -6.058  17.512 -10.458
  203    H1*    G  19           H1*        G  19  -5.305  19.836  -8.339
  204    H8     G  19           H8         G  19  -6.208  18.123  -5.055
  205    H1     G  19           H1         G  19   0.043  19.240  -5.919
  206   1H2     G  19          H21         G  19  -0.837  20.095  -9.137
  207   2H2     G  19          H22         G  19   0.444  19.884  -7.953
  208   1H5*    C  20          1H5*        C  20  -7.603  15.699 -11.496
  209   2H5*    C  20          2H5*        C  20  -8.128  14.005 -11.575
  210    H4*    C  20           H4*        C  20  -6.125  14.397 -12.900
  211    H3*    C  20           H3*        C  20  -5.976  12.485 -10.606
  212    H2*    C  20           H2*        C  20  -3.615  12.163 -10.988
  213   2HO*    C  20          2HO*        C  20  -2.714  12.632 -12.886
  214    H1*    C  20           H1*        C  20  -2.983  14.833 -11.210
  215   1H4     C  20          H41         C  20  -4.418  14.195  -4.815
  216   2H4     C  20          H42         C  20  -2.705  13.860  -4.933
  217    H5     C  20           H5         C  20  -5.824  14.535  -6.719
  218    H6     C  20           H6         C  20  -5.908  14.672  -9.135
  219   1H5*    C  21          1H5*        C  21  -3.356  10.827 -12.891
  220   2H5*    C  21          2H5*        C  21  -4.001   9.279 -13.470
  221    H4*    C  21           H4*        C  21  -1.840   8.825 -12.688
  222    H3*    C  21           H3*        C  21  -3.927   7.908 -10.728
  223    H2*    C  21           H2*        C  21  -2.166   7.112  -9.291
  224   2HO*    C  21          2HO*        C  21   0.088   7.467 -10.196
  225    H1*    C  21           H1*        C  21  -0.522   9.364  -9.615
  226   1H4     C  21          H41         C  21  -5.160  11.182  -5.290
  227   2H4     C  21          H42         C  21  -3.928  10.378  -4.331
  228    H5     C  21           H5         C  21  -5.094  11.261  -7.710
  229    H6     C  21           H6         C  21  -3.847  10.573  -9.694
  230   1H5*    U  22          1H5*        U  22  -2.719   2.947 -11.009
  231   2H5*    U  22          2H5*        U  22  -3.899   3.100  -9.693
  232    H4*    U  22           H4*        U  22  -1.129   2.560  -9.530
  233    H3*    U  22           H3*        U  22  -3.317   2.846  -7.499
  234    H2*    U  22           H2*        U  22  -1.670   3.074  -5.759
  235   2HO*    U  22          2HO*        U  22   0.094   2.212  -7.821
  236    H1*    U  22           H1*        U  22  -0.035   4.856  -7.135
  237    H3     U  22           H3         U  22  -2.177   7.434  -4.078
  238    H5     U  22           H5         U  22  -4.977   6.891  -7.162
  239    H6     U  22           H6         U  22  -3.457   5.314  -8.159
  240   1H5*    G  23          1H5*        G  23  -0.463   1.081  -5.073
  241   2H5*    G  23          2H5*        G  23  -1.351  -0.282  -4.363
  242    H4*    G  23           H4*        G  23  -0.441   1.832  -2.965
  243    H3*    G  23           H3*        G  23  -2.669  -0.077  -2.397
  244    H2*    G  23           H2*        G  23  -3.441   1.293  -0.577
  245   2HO*    G  23          2HO*        G  23  -2.123   3.297  -0.176
  246    H1*    G  23           H1*        G  23  -3.272   3.717  -1.909
  247    H8     G  23           H8         G  23  -4.257   1.701  -4.733
  248    H1     G  23           H1         G  23  -9.051   2.263  -0.506
  249   1H2     G  23          H21         G  23  -6.607   3.381   1.672
  250   2H2     G  23          H22         G  23  -8.296   3.011   1.410
  251   1H5*    C  24          1H5*        C  24  -0.222   0.229   1.759
  252   2H5*    C  24          2H5*        C  24  -0.174  -1.528   2.004
  253    H4*    C  24           H4*        C  24  -0.858  -0.345   4.018
  254    H3*    C  24           H3*        C  24  -2.782  -2.264   2.763
  255    H2*    C  24           H2*        C  24  -4.442  -1.719   4.419
  256   2HO*    C  24          2HO*        C  24  -2.184  -0.817   5.762
  257    H1*    C  24           H1*        C  24  -4.099   1.034   4.293
  258   1H4     C  24          H41         C  24  -7.299  -0.529  -1.266
  259   2H4     C  24          H42         C  24  -8.529  -0.037  -0.114
  260    H5     C  24           H5         C  24  -4.962  -0.739  -0.682
  261    H6     C  24           H6         C  24  -3.329  -0.523   1.116
  262   1H5*    U  25          1H5*        U  25  -3.619  -2.930   6.363
  263   2H5*    U  25          2H5*        U  25  -3.649  -4.654   6.781
  264    H4*    U  25           H4*        U  25  -5.803  -3.580   7.157
  265    H3*    U  25           H3*        U  25  -5.676  -5.781   5.118
  266    H2*    U  25           H2*        U  25  -8.051  -5.499   4.735
  267   2HO*    U  25          2HO*        U  25  -8.168  -3.373   6.587
  268    H1*    U  25           H1*        U  25  -7.936  -2.743   4.502
  269    H3     U  25           H3         U  25  -8.258  -4.307   0.244
  270    H5     U  25           H5         U  25  -4.164  -4.425   1.164
  271    H6     U  25           H6         U  25  -4.740  -3.923   3.447
  272   1H5*    U  26          1H5*        U  26  -8.806  -7.600   7.409
  273   2H5*    U  26          2H5*        U  26  -8.367  -9.319   7.444
  274    H4*    U  26           H4*        U  26 -10.528  -8.865   6.342
  275    H3*    U  26           H3*        U  26  -8.358 -10.180   4.714
  276    H2*    U  26           H2*        U  26  -9.926 -10.323   2.898
  277   2HO*    U  26          2HO*        U  26 -12.098  -9.170   4.043
  278    H1*    U  26           H1*        U  26 -11.042  -7.752   3.345
  279    H3     U  26           H3         U  26  -8.896  -7.921  -0.720
  280    H5     U  26           H5         U  26  -6.020  -6.743   2.105
  281    H6     U  26           H6         U  26  -7.605  -7.286   3.831
  282   1H5*    U  27          1H5*        U  27 -11.924 -12.769   4.583
  283   2H5*    U  27          2H5*        U  27 -11.371 -14.446   4.409
  284    H4*    U  27           H4*        U  27 -12.953 -13.688   2.653
  285    H3*    U  27           H3*        U  27 -10.249 -14.748   1.882
  286    H2*    U  27           H2*        U  27 -10.839 -14.416  -0.439
  287   2HO*    U  27          2HO*        U  27 -12.966 -13.665  -0.961
  288    H1*    U  27           H1*        U  27 -11.799 -11.837  -0.077
  289    H3     U  27           H3         U  27  -7.689 -11.313  -1.925
  290    H5     U  27           H5         U  27  -6.949 -11.973   2.155
  291    H6     U  27           H6         U  27  -9.277 -12.520   2.409
  292   1H5*    U  28          1H5*        U  28 -13.285 -17.554  -0.235
  293   2H5*    U  28          2H5*        U  28 -12.487 -19.127  -0.042
  294    H4*    U  28           H4*        U  28 -13.169 -18.707  -2.347
  295    H3*    U  28           H3*        U  28 -10.220 -19.007  -1.824
  296    H2*    U  28           H2*        U  28  -9.856 -18.774  -4.207
  297   2HO*    U  28          2HO*        U  28 -11.447 -19.537  -5.408
  298    H1*    U  28           H1*        U  28 -11.469 -16.527  -4.451
  299    H3     U  28           H3         U  28  -7.165 -15.036  -4.487
  300    H5     U  28           H5         U  28  -8.181 -15.396  -0.426
  301    H6     U  28           H6         U  28 -10.202 -16.510  -1.111
  302   1H5*    G  29          1H5*        G  29 -10.049 -22.682  -3.948
  303   2H5*    G  29          2H5*        G  29  -9.108 -23.736  -2.876
  304    H4*    G  29           H4*        G  29  -7.959 -23.197  -4.989
  305    H3*    G  29           H3*        G  29  -6.625 -22.366  -2.418
  306    H2*    G  29           H2*        G  29  -4.846 -21.428  -3.692
  307   2HO*    G  29          2HO*        G  29  -5.574 -23.471  -5.373
  308    H1*    G  29           H1*        G  29  -6.505 -20.742  -5.976
  309    H8     G  29           H8         G  29  -7.809 -19.165  -2.878
  310    H1     G  29           H1         G  29  -2.869 -15.994  -5.461
  311   1H2     G  29          H21         G  29  -2.452 -18.821  -7.409
  312   2H2     G  29          H22         G  29  -1.896 -17.214  -7.001
  313   1H5*    C  30          1H5*        C  30  -3.492 -24.319  -4.720
  314   2H5*    C  30          2H5*        C  30  -2.611 -25.293  -3.527
  315    H4*    C  30           H4*        C  30  -1.150 -23.770  -4.765
  316    H3*    C  30           H3*        C  30  -1.360 -23.404  -1.788
  317    H2*    C  30           H2*        C  30   0.211 -21.587  -1.943
  318   2HO*    C  30          2HO*        C  30   1.600 -21.460  -3.578
  319    H1*    C  30           H1*        C  30  -0.930 -20.440  -4.240
  320   1H4     C  30          H41         C  30  -4.731 -18.535   0.807
  321   2H4     C  30          H42         C  30  -3.629 -17.206   0.491
  322    H5     C  30           H5         C  30  -4.589 -20.660  -0.338
  323    H6     C  30           H6         C  30  -3.370 -21.944  -2.017
  324   1H5*    U  31          1H5*        U  31   2.929 -23.258  -2.838
  325   2H5*    U  31          2H5*        U  31   3.687 -24.305  -1.623
  326    H4*    U  31           H4*        U  31   4.735 -22.069  -1.857
  327    H3*    U  31           H3*        U  31   3.680 -22.958   0.813
  328    H2*    U  31           H2*        U  31   4.405 -20.870   1.757
  329   2HO*    U  31          2HO*        U  31   5.783 -19.502   0.644
  330    H1*    U  31           H1*        U  31   3.516 -19.283  -0.384
  331    H3     U  31           H3         U  31   0.718 -18.312   3.055
  332    H5     U  31           H5         U  31  -0.727 -21.921   1.467
  333    H6     U  31           H6         U  31   1.249 -22.022   0.097
  334    H3T    U  31           H3T        U  31   5.975 -23.098  -0.631
  Start of MODEL   25
    1   1H5*    A   1          1H5*        A   1  -3.961 -12.700   8.781
    2   2H5*    A   1          2H5*        A   1  -3.865 -11.841   7.233
    3    H4*    A   1           H4*        A   1  -1.698 -12.693   8.165
    4    H3*    A   1           H3*        A   1  -2.593 -13.245   5.365
    5    H2*    A   1           H2*        A   1  -0.662 -14.643   4.992
    6   2HO*    A   1          2HO*        A   1   0.463 -14.649   7.435
    7    H1*    A   1           H1*        A   1  -0.895 -16.095   7.324
    8    H8     A   1           H8         A   1  -4.436 -15.558   6.795
    9   1H6     A   1          H61         A   1  -4.333 -19.736   2.226
   10   2H6     A   1          H62         A   1  -5.356 -18.804   3.296
   11    H2     A   1           H2         A   1  -0.095 -18.646   3.212
   12    H5T    A   1           H5T        A   1  -4.677 -13.605   6.195
   13   1H5*    G   2          1H5*        G   2   1.422 -11.671   4.350
   14   2H5*    G   2          2H5*        G   2   1.028 -10.414   3.161
   15    H4*    G   2           H4*        G   2   2.685 -12.076   2.375
   16    H3*    G   2           H3*        G   2   0.139 -11.671   0.833
   17    H2*    G   2           H2*        G   2   0.846 -13.356  -0.730
   18   2HO*    G   2          2HO*        G   2   3.303 -12.611   0.231
   19    H1*    G   2           H1*        G   2   1.842 -15.137   1.201
   20    H8     G   2           H8         G   2  -1.158 -14.074   2.896
   21    H1     G   2           H1         G   2  -2.540 -17.706  -2.206
   22   1H2     G   2          H21         G   2   0.740 -17.116  -3.146
   23   2H2     G   2          H22         G   2  -0.787 -17.885  -3.515
   24   1H5*    U   3          1H5*        U   3   3.551 -10.690  -2.149
   25   2H5*    U   3          2H5*        U   3   2.836  -9.382  -3.111
   26    H4*    U   3           H4*        U   3   3.727 -11.173  -4.507
   27    H3*    U   3           H3*        U   3   0.757 -10.695  -4.639
   28    H2*    U   3           H2*        U   3   0.646 -12.413  -6.338
   29   2HO*    U   3          2HO*        U   3   2.444 -12.192  -7.560
   30    H1*    U   3           H1*        U   3   2.273 -14.210  -4.948
   31    H3     U   3           H3         U   3  -1.878 -15.952  -4.496
   32    H5     U   3           H5         U   3  -1.762 -12.786  -1.740
   33    H6     U   3           H6         U   3   0.367 -12.156  -2.669
   34   1H5*    A   4          1H5*        A   4   1.892  -9.668  -8.931
   35   2H5*    A   4          2H5*        A   4   0.970  -8.173  -9.183
   36    H4*    A   4           H4*        A   4   0.542  -9.823 -10.924
   37    H3*    A   4           H3*        A   4  -1.756  -8.963  -9.202
   38    H2*    A   4           H2*        A   4  -3.208 -10.475 -10.430
   39   2HO*    A   4          2HO*        A   4  -1.633 -11.841 -11.990
   40    H1*    A   4           H1*        A   4  -1.558 -12.651 -10.153
   41    H8     A   4           H8         A   4  -0.608 -10.863  -7.116
   42   1H6     A   4          H61         A   4  -5.879 -12.729  -4.467
   43   2H6     A   4          H62         A   4  -4.302 -12.025  -4.188
   44    H2     A   4           H2         A   4  -6.193 -13.489  -8.879
   45   1H5*    G   5          1H5*        G   5  -3.592  -7.116 -12.693
   46   2H5*    G   5          2H5*        G   5  -4.110  -5.531 -12.088
   47    H4*    G   5           H4*        G   5  -5.960  -7.024 -12.790
   48    H3*    G   5           H3*        G   5  -5.922  -5.981  -9.964
   49    H2*    G   5           H2*        G   5  -8.032  -7.115  -9.614
   50   2HO*    G   5          2HO*        G   5  -8.058  -6.998 -12.369
   51    H1*    G   5           H1*        G   5  -7.205  -9.506 -10.795
   52    H8     G   5           H8         G   5  -4.108  -8.553  -9.166
   53    H1     G   5           H1         G   5  -8.617 -10.201  -4.908
   54   1H2     G   5          H21         G   5 -10.810  -9.894  -7.554
   55   2H2     G   5          H22         G   5 -10.581 -10.259  -5.858
   56   1H5*    A   6          1H5*        A   6  -9.567  -5.891 -11.087
   57   2H5*    A   6          2H5*        A   6 -10.307  -4.280 -11.060
   58    H4*    A   6           H4*        A   6 -11.679  -6.062 -10.023
   59    H3*    A   6           H3*        A   6 -11.583  -3.499  -9.176
   60    H2*    A   6           H2*        A   6  -9.931  -3.771  -7.437
   61   2HO*    A   6          2HO*        A   6 -12.041  -4.857  -5.931
   62    H1*    A   6           H1*        A   6 -11.198  -6.465  -6.703
   63    H8     A   6           H8         A   6  -7.641  -5.675  -7.898
   64   1H6     A   6          H61         A   6  -5.877  -6.978  -2.108
   65   2H6     A   6          H62         A   6  -5.333  -6.595  -3.730
   66    H2     A   6           H2         A   6 -10.362  -7.096  -2.260
   67   1H5*    A   7          1H5*        A   7 -14.295  -5.228  -5.842
   68   2H5*    A   7          2H5*        A   7 -15.619  -4.054  -5.711
   69    H4*    A   7           H4*        A   7 -14.887  -4.241  -3.537
   70    H3*    A   7           H3*        A   7 -13.530  -1.836  -4.733
   71    H2*    A   7           H2*        A   7 -12.243  -1.590  -2.768
   72   2HO*    A   7          2HO*        A   7 -14.592  -2.125  -1.678
   73    H1*    A   7           H1*        A   7 -12.557  -4.415  -1.956
   74    H8     A   7           H8         A   7 -10.460  -3.505  -5.009
   75   1H6     A   7          H61         A   7  -5.607  -3.763  -1.166
   76   2H6     A   7          H62         A   7  -6.108  -3.612  -2.837
   77    H2     A   7           H2         A   7  -9.347  -4.095   1.284
   78   1H5*    A   8          1H5*        A   8 -16.030   1.431  -1.320
   79   2H5*    A   8          2H5*        A   8 -14.465   2.178  -1.698
   80    H4*    A   8           H4*        A   8 -15.422   1.096   0.778
   81    H3*    A   8           H3*        A   8 -12.986   2.669  -0.022
   82    H2*    A   8           H2*        A   8 -11.954   2.050   2.058
   83   2HO*    A   8          2HO*        A   8 -13.130   1.265   3.753
   84    H1*    A   8           H1*        A   8 -12.823  -0.624   2.015
   85    H8     A   8           H8         A   8 -11.764   0.402  -1.439
   86   1H6     A   8          H61         A   8  -6.002  -1.132   0.231
   87   2H6     A   8          H62         A   8  -7.038  -0.685  -1.106
   88    H2     A   8           H2         A   8  -8.575  -1.180   3.904
   89   1H5*    C   9          1H5*        C   9 -14.136   4.461   4.506
   90   2H5*    C   9          2H5*        C   9 -13.465   6.033   4.027
   91    H4*    C   9           H4*        C   9 -12.546   4.846   6.123
   92    H3*    C   9           H3*        C   9 -10.923   6.264   4.048
   93    H2*    C   9           H2*        C   9  -8.882   5.555   5.112
   94   2HO*    C   9          2HO*        C   9  -8.924   5.306   7.221
   95    H1*    C   9           H1*        C   9  -9.638   2.914   5.507
   96   1H4     C   9          H41         C   9  -8.489   3.255  -0.980
   97   2H4     C   9          H42         C   9  -7.007   2.659  -0.248
   98    H5     C   9           H5         C   9 -10.402   3.985   0.328
   99    H6     C   9           H6         C   9 -11.273   4.273   2.585
  100   1H5*    A  10          1H5*        A  10  -9.247   8.306   7.936
  101   2H5*    A  10          2H5*        A  10  -8.788   9.853   7.199
  102    H4*    A  10           H4*        A  10  -7.019   8.228   8.306
  103    H3*    A  10           H3*        A  10  -6.676  10.106   6.010
  104    H2*    A  10           H2*        A  10  -4.510   9.200   5.508
  105   2HO*    A  10          2HO*        A  10  -4.818   7.790   7.978
  106    H1*    A  10           H1*        A  10  -5.189   6.521   5.789
  107    H8     A  10           H8         A  10  -8.284   7.615   4.279
  108   1H6     A  10          H61         A  10  -5.398   8.052  -1.180
  109   2H6     A  10          H62         A  10  -6.951   8.016  -0.375
  110    H2     A  10           H2         A  10  -2.275   7.683   2.018
  111   1H5*    A  11          1H5*        A  11  -3.616  13.028   5.814
  112   2H5*    A  11          2H5*        A  11  -3.225  11.316   5.553
  113    H4*    A  11           H4*        A  11  -1.669  13.288   7.222
  114    H3*    A  11           H3*        A  11  -1.419  13.315   4.595
  115    H2*    A  11           H2*        A  11  -1.160  10.945   4.209
  116   2HO*    A  11          2HO*        A  11   1.358  10.692   4.482
  117    H1*    A  11           H1*        A  11   0.766  10.697   6.563
  118    H8     A  11           H8         A  11  -2.438   9.099   7.196
  119   1H6     A  11          H61         A  11  -0.250   3.907   4.629
  120   2H6     A  11          H62         A  11  -1.532   4.598   5.598
  121    H2     A  11           H2         A  11   2.562   7.248   3.620
  122   1H5*    G  12          1H5*        G  12   2.973  12.606   4.998
  123   2H5*    G  12          2H5*        G  12   3.596  14.244   4.716
  124    H4*    G  12           H4*        G  12   4.993  12.848   3.484
  125    H3*    G  12           H3*        G  12   3.001  14.227   1.718
  126    H2*    G  12           H2*        G  12   3.876  13.036  -0.189
  127   2HO*    G  12          2HO*        G  12   5.881  12.304  -0.171
  128    H1*    G  12           H1*        G  12   3.930  10.555   1.023
  129    H8     G  12           H8         G  12   1.053  12.681   2.297
  130    H1     G  12           H1         G  12  -0.239   9.233  -2.956
  131   1H2     G  12          H21         G  12   3.154   8.558  -2.984
  132   2H2     G  12          H22         G  12   1.595   8.325  -3.744
  133   1H5*    G  13          1H5*        G  13   6.739  13.993  -0.475
  134   2H5*    G  13          2H5*        G  13   7.014  15.660  -1.018
  135    H4*    G  13           H4*        G  13   7.228  14.129  -2.866
  136    H3*    G  13           H3*        G  13   4.887  16.008  -2.994
  137    H2*    G  13           H2*        G  13   4.294  15.040  -5.126
  138   2HO*    G  13          2HO*        G  13   5.761  14.036  -6.325
  139    H1*    G  13           H1*        G  13   4.638  12.398  -4.308
  140    H8     G  13           H8         G  13   3.249  14.428  -1.463
  141    H1     G  13           H1         G  13  -1.163  12.264  -5.589
  142   1H2     G  13          H21         G  13   1.531  11.412  -7.572
  143   2H2     G  13          H22         G  13  -0.208  11.445  -7.373
  144   1H5*    C  14          1H5*        C  14   6.701  17.441  -7.033
  145   2H5*    C  14          2H5*        C  14   6.589  19.162  -6.616
  146    H4*    C  14           H4*        C  14   5.467  18.664  -8.717
  147    H3*    C  14           H3*        C  14   3.679  19.598  -6.472
  148    H2*    C  14           H2*        C  14   1.862  19.565  -8.058
  149   2HO*    C  14          2HO*        C  14   3.830  20.034  -9.785
  150    H1*    C  14           H1*        C  14   2.637  17.108  -9.220
  151   1H4     C  14          H41         C  14  -0.680  15.515  -3.760
  152   2H4     C  14          H42         C  14  -1.923  15.914  -4.936
  153    H5     C  14           H5         C  14   1.672  15.823  -4.205
  154    H6     C  14           H6         C  14   3.311  16.607  -5.828
  155   1H5*    U  15          1H5*        U  15   2.375  23.031  -8.986
  156   2H5*    U  15          2H5*        U  15   2.342  24.236  -7.684
  157    H4*    U  15           H4*        U  15   0.147  23.766  -8.789
  158    H3*    U  15           H3*        U  15   0.468  23.577  -5.812
  159    H2*    U  15           H2*        U  15  -1.853  22.940  -5.627
  160   2HO*    U  15          2HO*        U  15  -3.105  22.818  -7.627
  161    H1*    U  15           H1*        U  15  -1.748  21.028  -7.613
  162    H3     U  15           H3         U  15  -1.583  18.880  -3.570
  163    H5     U  15           H5         U  15   2.397  19.790  -4.542
  164    H6     U  15           H6         U  15   1.568  21.134  -6.359
  165   1H5*    U  16          1H5*        U  16  -2.580  27.978  -4.852
  166   2H5*    U  16          2H5*        U  16  -2.749  26.807  -3.531
  167    H4*    U  16           H4*        U  16  -4.913  27.618  -4.171
  168    H3*    U  16           H3*        U  16  -4.606  25.052  -3.728
  169    H2*    U  16           H2*        U  16  -3.813  24.386  -5.914
  170   2HO*    U  16          2HO*        U  16  -5.430  22.989  -6.028
  171    H1*    U  16           H1*        U  16  -5.986  26.023  -7.291
  172    H3     U  16           H3         U  16  -3.836  24.420 -10.963
  173    H5     U  16           H5         U  16  -1.040  26.911  -9.061
  174    H6     U  16           H6         U  16  -2.565  27.073  -7.203
  175   1H5*    C  17          1H5*        C  17  -7.665  22.925  -4.810
  176   2H5*    C  17          2H5*        C  17  -8.504  22.509  -3.303
  177    H4*    C  17           H4*        C  17  -7.375  20.640  -4.665
  178    H3*    C  17           H3*        C  17  -7.958  20.602  -1.997
  179    H2*    C  17           H2*        C  17  -5.812  21.487  -1.271
  180   2HO*    C  17          2HO*        C  17  -6.254  19.065  -0.693
  181    H1*    C  17           H1*        C  17  -4.561  19.643  -3.401
  182   1H4     C  17          H41         C  17   0.166  24.073  -2.397
  183   2H4     C  17          H42         C  17   0.686  22.692  -1.443
  184    H5     C  17           H5         C  17  -2.006  24.222  -3.429
  185    H6     C  17           H6         C  17  -4.100  23.045  -3.838
  186   1H5*    G  18          1H5*        G  18  -9.571  20.213  -3.461
  187   2H5*    G  18          2H5*        G  18 -10.916  19.676  -2.436
  188    H4*    G  18           H4*        G  18 -12.222  19.613  -4.211
  189    H3*    G  18           H3*        G  18 -10.410  17.388  -4.982
  190    H2*    G  18           H2*        G  18 -10.615  17.759  -7.262
  191   2HO*    G  18          2HO*        G  18 -12.766  18.376  -8.063
  192    H1*    G  18           H1*        G  18 -12.138  20.340  -6.919
  193    H8     G  18           H8         G  18 -11.617  20.979  -9.353
  194    H1     G  18           H1         G  18  -5.323  20.349  -8.256
  195   1H2     G  18          H21         G  18  -6.287  18.946  -5.252
  196   2H2     G  18          H22         G  18  -4.977  19.413  -6.311
  197   1H5*    G  19          1H5*        G  19 -10.005  13.729  -4.720
  198   2H5*    G  19          2H5*        G  19  -9.655  15.465  -4.804
  199    H4*    G  19           H4*        G  19 -10.647  14.299  -7.298
  200    H3*    G  19           H3*        G  19  -8.309  13.010  -6.037
  201    H2*    G  19           H2*        G  19  -6.814  13.476  -7.835
  202   2HO*    G  19          2HO*        G  19  -7.586  14.076  -9.871
  203    H1*    G  19           H1*        G  19  -7.641  16.043  -8.459
  204    H8     G  19           H8         G  19  -7.796  15.316  -4.726
  205    H1     G  19           H1         G  19  -2.185  17.613  -6.795
  206   1H2     G  19          H21         G  19  -3.469  17.150  -9.956
  207   2H2     G  19          H22         G  19  -2.118  17.661  -8.956
  208   1H5*    C  20          1H5*        C  20  -8.748  10.651  -9.708
  209   2H5*    C  20          2H5*        C  20  -8.661   8.937  -9.257
  210    H4*    C  20           H4*        C  20  -7.008   9.515 -10.947
  211    H3*    C  20           H3*        C  20  -6.058   8.522  -8.291
  212    H2*    C  20           H2*        C  20  -3.762   8.855  -8.952
  213   2HO*    C  20          2HO*        C  20  -4.567   8.311 -11.305
  214    H1*    C  20           H1*        C  20  -4.106  11.387  -9.980
  215   1H4     C  20          H41         C  20  -4.757  12.357  -3.504
  216   2H4     C  20          H42         C  20  -3.043  12.513  -3.811
  217    H5     C  20           H5         C  20  -6.335  11.664  -5.162
  218    H6     C  20           H6         C  20  -6.644  11.042  -7.480
  219   1H5*    C  21          1H5*        C  21  -3.269   7.137 -10.561
  220   2H5*    C  21          2H5*        C  21  -3.469   5.382 -10.724
  221    H4*    C  21           H4*        C  21  -1.203   5.652 -10.338
  222    H3*    C  21           H3*        C  21  -2.587   4.864  -7.793
  223    H2*    C  21           H2*        C  21  -0.484   4.991  -6.629
  224   2HO*    C  21          2HO*        C  21   0.585   4.146  -8.722
  225    H1*    C  21           H1*        C  21   0.342   7.391  -7.801
  226   1H4     C  21          H41         C  21  -4.128   9.153  -3.277
  227   2H4     C  21          H42         C  21  -2.602   9.057  -2.412
  228    H5     C  21           H5         C  21  -4.364   8.481  -5.595
  229    H6     C  21           H6         C  21  -3.187   7.578  -7.539
  230   1H5*    U  22          1H5*        U  22  -0.404   0.771  -5.825
  231   2H5*    U  22          2H5*        U  22  -1.253   2.229  -5.276
  232    H4*    U  22           H4*        U  22   1.724   1.835  -5.548
  233    H3*    U  22           H3*        U  22  -0.076   1.921  -3.149
  234    H2*    U  22           H2*        U  22   1.581   3.180  -1.947
  235   2HO*    U  22          2HO*        U  22   3.377   1.928  -2.793
  236    H1*    U  22           H1*        U  22   2.263   4.883  -4.068
  237    H3     U  22           H3         U  22  -0.029   7.240  -0.858
  238    H5     U  22           H5         U  22  -2.922   5.711  -3.489
  239    H6     U  22           H6         U  22  -1.190   4.379  -4.498
  240   1H5*    G  23          1H5*        G  23   2.853   1.490  -0.980
  241   2H5*    G  23          2H5*        G  23   2.901  -0.173  -0.363
  242    H4*    G  23           H4*        G  23   3.203   1.349   1.452
  243    H3*    G  23           H3*        G  23   0.703  -0.265   1.436
  244    H2*    G  23           H2*        G  23  -0.204   0.926   3.316
  245   2HO*    G  23          2HO*        G  23   1.854   2.717   3.657
  246    H1*    G  23           H1*        G  23   0.393   3.467   2.436
  247    H8     G  23           H8         G  23  -0.140   2.006  -0.821
  248    H1     G  23           H1         G  23  -5.647   2.457   2.438
  249   1H2     G  23          H21         G  23  -3.626   2.966   5.201
  250   2H2     G  23          H22         G  23  -5.249   2.825   4.562
  251   1H5*    C  24          1H5*        C  24  -0.649  -2.881   4.367
  252   2H5*    C  24          2H5*        C  24  -0.841  -1.134   4.122
  253    H4*    C  24           H4*        C  24   0.243  -1.800   6.739
  254    H3*    C  24           H3*        C  24  -2.381  -3.067   5.995
  255    H2*    C  24           H2*        C  24  -3.238  -2.429   8.156
  256   2HO*    C  24          2HO*        C  24  -1.708  -2.609   9.658
  257    H1*    C  24           H1*        C  24  -2.180   0.164   8.088
  258   1H4     C  24          H41         C  24  -7.486   0.416   4.189
  259   2H4     C  24          H42         C  24  -8.081   0.742   5.808
  260    H5     C  24           H5         C  24  -5.198  -0.230   3.737
  261    H6     C  24           H6         C  24  -3.023  -0.697   4.738
  262   1H5*    U  25          1H5*        U  25  -3.194  -4.778   8.299
  263   2H5*    U  25          2H5*        U  25  -3.381  -6.526   8.056
  264    H4*    U  25           H4*        U  25  -5.515  -5.317   8.343
  265    H3*    U  25           H3*        U  25  -5.051  -6.879   5.814
  266    H2*    U  25           H2*        U  25  -7.288  -6.269   5.121
  267   2HO*    U  25          2HO*        U  25  -8.715  -5.970   6.668
  268    H1*    U  25           H1*        U  25  -7.019  -3.584   5.791
  269    H3     U  25           H3         U  25  -6.780  -3.916   1.234
  270    H5     U  25           H5         U  25  -2.858  -4.451   2.630
  271    H6     U  25           H6         U  25  -3.751  -4.582   4.862
  272   1H5*    U  26          1H5*        U  26  -8.815  -8.454   7.119
  273   2H5*    U  26          2H5*        U  26  -8.815 -10.180   6.708
  274    H4*    U  26           H4*        U  26 -10.641  -8.865   5.658
  275    H3*    U  26           H3*        U  26  -8.720 -10.366   3.884
  276    H2*    U  26           H2*        U  26 -10.024  -9.640   2.001
  277   2HO*    U  26          2HO*        U  26 -11.898  -8.475   3.798
  278    H1*    U  26           H1*        U  26 -10.448  -7.018   2.999
  279    H3     U  26           H3         U  26  -7.919  -6.887  -0.836
  280    H5     U  26           H5         U  26  -5.223  -7.294   2.359
  281    H6     U  26           H6         U  26  -7.106  -7.730   3.791
  282   1H5*    U  27          1H5*        U  27 -12.831 -11.793   2.926
  283   2H5*    U  27          2H5*        U  27 -12.668 -13.487   2.421
  284    H4*    U  27           H4*        U  27 -13.818 -12.026   0.779
  285    H3*    U  27           H3*        U  27 -11.358 -13.550  -0.029
  286    H2*    U  27           H2*        U  27 -11.581 -12.629  -2.254
  287   2HO*    U  27          2HO*        U  27 -13.758 -11.015  -1.620
  288    H1*    U  27           H1*        U  27 -11.936 -10.018  -1.395
  289    H3     U  27           H3         U  27  -7.619 -10.243  -2.777
  290    H5     U  27           H5         U  27  -7.584 -11.812   1.119
  291    H6     U  27           H6         U  27  -9.989 -11.770   1.072
  292   1H5*    U  28          1H5*        U  28 -14.519 -15.256  -2.873
  293   2H5*    U  28          2H5*        U  28 -14.054 -16.966  -2.973
  294    H4*    U  28           H4*        U  28 -14.246 -15.863  -5.166
  295    H3*    U  28           H3*        U  28 -11.579 -17.029  -4.390
  296    H2*    U  28           H2*        U  28 -10.775 -16.400  -6.588
  297   2HO*    U  28          2HO*        U  28 -12.455 -15.164  -7.899
  298    H1*    U  28           H1*        U  28 -11.785 -13.813  -6.444
  299    H3     U  28           H3         U  28  -7.271 -13.642  -5.704
  300    H5     U  28           H5         U  28  -9.029 -14.285  -1.945
  301    H6     U  28           H6         U  28 -11.117 -14.683  -3.075
  302   1H5*    G  29          1H5*        G  29 -12.041 -20.149  -7.332
  303   2H5*    G  29          2H5*        G  29 -11.575 -21.617  -6.452
  304    H4*    G  29           H4*        G  29 -10.052 -21.045  -8.309
  305    H3*    G  29           H3*        G  29  -8.900 -21.158  -5.526
  306    H2*    G  29           H2*        G  29  -6.772 -20.593  -6.438
  307   2HO*    G  29          2HO*        G  29  -6.231 -21.487  -8.283
  308    H1*    G  29           H1*        G  29  -7.844 -18.979  -8.593
  309    H8     G  29           H8         G  29  -9.107 -17.726  -5.345
  310    H1     G  29           H1         G  29  -3.108 -15.850  -6.617
  311   1H2     G  29          H21         G  29  -3.215 -18.220  -9.135
  312   2H2     G  29          H22         G  29  -2.291 -16.987  -8.307
  313   1H5*    C  30          1H5*        C  30  -6.115 -23.545  -7.807
  314   2H5*    C  30          2H5*        C  30  -5.795 -24.948  -6.769
  315    H4*    C  30           H4*        C  30  -3.745 -23.800  -7.408
  316    H3*    C  30           H3*        C  30  -4.442 -23.860  -4.486
  317    H2*    C  30           H2*        C  30  -2.432 -22.623  -4.013
  318   2HO*    C  30          2HO*        C  30  -1.747 -23.627  -6.509
  319    H1*    C  30           H1*        C  30  -2.717 -20.812  -6.133
  320   1H4     C  30          H41         C  30  -6.873 -18.731  -1.451
  321   2H4     C  30          H42         C  30  -5.415 -17.771  -1.272
  322    H5     C  30           H5         C  30  -7.059 -20.563  -3.014
  323    H6     C  30           H6         C  30  -5.895 -21.848  -4.728
  324   1H5*    U  31          1H5*        U  31  -0.151 -24.864  -4.713
  325   2H5*    U  31          2H5*        U  31  -0.044 -26.317  -3.701
  326    H4*    U  31           H4*        U  31   1.617 -24.609  -3.111
  327    H3*    U  31           H3*        U  31  -0.391 -25.419  -1.025
  328    H2*    U  31           H2*        U  31   0.658 -23.900   0.514
  329   2HO*    U  31          2HO*        U  31   2.652 -23.504  -1.498
  330    H1*    U  31           H1*        U  31   0.983 -21.819  -1.353
  331    H3     U  31           H3         U  31  -2.198 -20.283   1.478
  332    H5     U  31           H5         U  31  -4.220 -22.970  -1.038
  333    H6     U  31           H6         U  31  -2.083 -23.617  -1.937
  334    H3T    U  31           H3T        U  31   2.039 -26.204  -1.929
  Start of MODEL   26
    1   1H5*    A   1          1H5*        A   1  -1.841 -11.941  10.312
    2   2H5*    A   1          2H5*        A   1  -2.290 -11.034   8.856
    3    H4*    A   1           H4*        A   1   0.181 -11.504   9.273
    4    H3*    A   1           H3*        A   1  -1.216 -11.846   6.654
    5    H2*    A   1           H2*        A   1   0.772 -12.794   5.669
    6   2HO*    A   1          2HO*        A   1   2.124 -11.290   7.078
    7    H1*    A   1           H1*        A   1   1.299 -14.568   7.709
    8    H8     A   1           H8         A   1  -2.370 -14.408   7.897
    9   1H6     A   1          H61         A   1  -2.629 -18.232   3.035
   10   2H6     A   1          H62         A   1  -3.547 -17.489   4.325
   11    H2     A   1           H2         A   1   1.588 -16.763   3.425
   12    H5T    A   1           H5T        A   1  -2.831 -13.635   9.563
   13   1H5*    G   2          1H5*        G   2   2.176  -9.856   5.399
   14   2H5*    G   2          2H5*        G   2   1.771  -8.605   4.208
   15    H4*    G   2           H4*        G   2   3.320 -10.364   3.382
   16    H3*    G   2           H3*        G   2   0.717  -9.904   1.935
   17    H2*    G   2           H2*        G   2   1.395 -11.585   0.352
   18   2HO*    G   2          2HO*        G   2   3.735 -12.429   1.189
   19    H1*    G   2           H1*        G   2   2.478 -13.332   2.300
   20    H8     G   2           H8         G   2  -0.601 -12.390   3.928
   21    H1     G   2           H1         G   2  -1.713 -16.125  -1.168
   22   1H2     G   2          H21         G   2   1.555 -15.392  -2.046
   23   2H2     G   2          H22         G   2   0.073 -16.235  -2.438
   24   1H5*    U   3          1H5*        U   3   3.644  -8.548  -1.285
   25   2H5*    U   3          2H5*        U   3   2.716  -7.336  -2.189
   26    H4*    U   3           H4*        U   3   3.466  -9.234  -3.568
   27    H3*    U   3           H3*        U   3   0.512  -8.715  -3.332
   28    H2*    U   3           H2*        U   3   0.131 -10.562  -4.828
   29   2HO*    U   3          2HO*        U   3   2.537 -11.538  -5.298
   30    H1*    U   3           H1*        U   3   1.984 -12.269  -3.605
   31    H3     U   3           H3         U   3  -1.983 -14.063  -2.413
   32    H5     U   3           H5         U   3  -1.631 -10.644   0.001
   33    H6     U   3           H6         U   3   0.336 -10.054  -1.254
   34   1H5*    A   4          1H5*        A   4   1.854  -8.524  -7.921
   35   2H5*    A   4          2H5*        A   4   0.981  -7.034  -8.323
   36    H4*    A   4           H4*        A   4   0.749  -8.654 -10.090
   37    H3*    A   4           H3*        A   4  -1.755  -7.925  -8.620
   38    H2*    A   4           H2*        A   4  -3.002  -9.500  -9.984
   39   2HO*    A   4          2HO*        A   4  -0.510  -9.966 -11.315
   40    H1*    A   4           H1*        A   4  -1.305 -11.601  -9.527
   41    H8     A   4           H8         A   4  -0.693  -9.672  -6.490
   42   1H6     A   4          H61         A   4  -6.015 -11.770  -4.145
   43   2H6     A   4          H62         A   4  -4.508 -10.955  -3.790
   44    H2     A   4           H2         A   4  -5.957 -12.716  -8.536
   45   1H5*    G   5          1H5*        G   5  -3.328  -6.213 -12.297
   46   2H5*    G   5          2H5*        G   5  -4.012  -4.664 -11.764
   47    H4*    G   5           H4*        G   5  -5.676  -6.282 -12.635
   48    H3*    G   5           H3*        G   5  -5.991  -5.218  -9.837
   49    H2*    G   5           H2*        G   5  -8.035  -6.504  -9.662
   50   2HO*    G   5          2HO*        G   5  -7.944  -6.295 -12.352
   51    H1*    G   5           H1*        G   5  -6.926  -8.842 -10.688
   52    H8     G   5           H8         G   5  -4.056  -7.556  -8.862
   53    H1     G   5           H1         G   5  -8.689  -9.573  -4.906
   54   1H2     G   5          H21         G   5 -10.695  -9.542  -7.714
   55   2H2     G   5          H22         G   5 -10.559  -9.843  -5.996
   56   1H5*    A   6          1H5*        A   6  -9.647  -5.522 -11.160
   57   2H5*    A   6          2H5*        A   6 -10.405  -3.920 -11.225
   58    H4*    A   6           H4*        A   6 -11.799  -5.673 -10.170
   59    H3*    A   6           H3*        A   6 -11.755  -3.080  -9.416
   60    H2*    A   6           H2*        A   6 -10.147  -3.284  -7.625
   61   2HO*    A   6          2HO*        A   6 -12.338  -2.720  -6.779
   62    H1*    A   6           H1*        A   6 -11.456  -5.944  -6.830
   63    H8     A   6           H8         A   6  -7.847  -5.145  -7.879
   64   1H6     A   6          H61         A   6  -6.337  -6.319  -1.991
   65   2H6     A   6          H62         A   6  -5.729  -5.950  -3.594
   66    H2     A   6           H2         A   6 -10.809  -6.549  -2.357
   67   1H5*    A   7          1H5*        A   7 -14.469  -4.838  -6.149
   68   2H5*    A   7          2H5*        A   7 -15.854  -3.736  -6.024
   69    H4*    A   7           H4*        A   7 -15.153  -3.924  -3.839
   70    H3*    A   7           H3*        A   7 -13.894  -1.434  -4.970
   71    H2*    A   7           H2*        A   7 -12.672  -1.155  -2.967
   72   2HO*    A   7          2HO*        A   7 -14.294  -2.952  -1.527
   73    H1*    A   7           H1*        A   7 -12.835  -4.011  -2.220
   74    H8     A   7           H8         A   7 -10.749  -2.921  -5.223
   75   1H6     A   7          H61         A   7  -5.948  -3.009  -1.306
   76   2H6     A   7          H62         A   7  -6.429  -2.845  -2.980
   77    H2     A   7           H2         A   7  -9.703  -3.585   1.074
   78   1H5*    A   8          1H5*        A   8 -17.168   0.639  -1.385
   79   2H5*    A   8          2H5*        A   8 -16.270   2.157  -1.586
   80    H4*    A   8           H4*        A   8 -16.534   0.897   0.757
   81    H3*    A   8           H3*        A   8 -14.271   2.633  -0.197
   82    H2*    A   8           H2*        A   8 -13.099   2.144   1.850
   83   2HO*    A   8          2HO*        A   8 -14.485   0.537   3.255
   84    H1*    A   8           H1*        A   8 -13.694  -0.594   1.850
   85    H8     A   8           H8         A   8 -12.969   0.782  -1.621
   86   1H6     A   8          H61         A   8  -7.052  -0.672  -0.509
   87   2H6     A   8          H62         A   8  -8.192  -0.124  -1.717
   88    H2     A   8           H2         A   8  -9.368  -1.250   3.290
   89   1H5*    C   9          1H5*        C   9 -14.739   5.256   4.085
   90   2H5*    C   9          2H5*        C   9 -13.870   6.464   3.119
   91    H4*    C   9           H4*        C   9 -12.845   5.246   5.283
   92    H3*    C   9           H3*        C   9 -11.458   6.447   2.912
   93    H2*    C   9           H2*        C   9  -9.357   5.565   3.687
   94   2HO*    C   9          2HO*        C   9 -10.836   4.917   6.047
   95    H1*    C   9           H1*        C   9 -10.320   3.033   4.342
   96   1H4     C   9          H41         C   9  -9.929   2.956  -2.239
   97   2H4     C   9          H42         C   9  -8.380   2.362  -1.658
   98    H5     C   9           H5         C   9 -11.646   3.829  -0.754
   99    H6     C   9           H6         C   9 -12.216   4.295   1.569
  100   1H5*    A  10          1H5*        A  10  -9.556   7.519   6.773
  101   2H5*    A  10          2H5*        A  10  -8.652   9.040   6.626
  102    H4*    A  10           H4*        A  10  -7.474   6.821   7.370
  103    H3*    A  10           H3*        A  10  -6.351   9.009   5.666
  104    H2*    A  10           H2*        A  10  -4.387   7.705   5.219
  105   2HO*    A  10          2HO*        A  10  -3.935   5.837   6.405
  106    H1*    A  10           H1*        A  10  -5.697   5.280   4.790
  107    H8     A  10           H8         A  10  -8.085   7.430   3.135
  108   1H6     A  10          H61         A  10  -4.134   8.071  -1.590
  109   2H6     A  10          H62         A  10  -5.784   8.311  -1.056
  110    H2     A  10           H2         A  10  -1.899   6.282   1.859
  111   1H5*    A  11          1H5*        A  11  -3.466  11.438   6.036
  112   2H5*    A  11          2H5*        A  11  -3.338   9.794   5.381
  113    H4*    A  11           H4*        A  11  -1.352  11.243   7.122
  114    H3*    A  11           H3*        A  11  -1.405  11.573   4.488
  115    H2*    A  11           H2*        A  11  -1.436   9.250   3.826
  116   2HO*    A  11          2HO*        A  11   0.961  10.479   3.699
  117    H1*    A  11           H1*        A  11   0.685   8.592   5.929
  118    H8     A  11           H8         A  11  -2.500   7.086   6.732
  119   1H6     A  11          H61         A  11  -0.987   2.169   3.291
  120   2H6     A  11          H62         A  11  -2.091   2.795   4.496
  121    H2     A  11           H2         A  11   1.885   5.476   2.328
  122   1H5*    G  12          1H5*        G  12   2.850  10.323   4.359
  123   2H5*    G  12          2H5*        G  12   3.669  11.889   4.200
  124    H4*    G  12           H4*        G  12   4.783  10.499   2.711
  125    H3*    G  12           H3*        G  12   2.838  12.265   1.267
  126    H2*    G  12           H2*        G  12   3.404  11.190  -0.811
  127   2HO*    G  12          2HO*        G  12   5.676  10.605   0.586
  128    H1*    G  12           H1*        G  12   3.309   8.600   0.157
  129    H8     G  12           H8         G  12   0.751  10.869   1.816
  130    H1     G  12           H1         G  12  -1.228   8.030  -3.586
  131   1H2     G  12          H21         G  12   2.069   7.032  -3.917
  132   2H2     G  12          H22         G  12   0.448   7.020  -4.576
  133   1H5*    G  13          1H5*        G  13   6.326  11.677  -1.091
  134   2H5*    G  13          2H5*        G  13   6.964  13.298  -1.428
  135    H4*    G  13           H4*        G  13   6.997  12.074  -3.453
  136    H3*    G  13           H3*        G  13   4.867  14.188  -3.374
  137    H2*    G  13           H2*        G  13   4.197  13.544  -5.604
  138   2HO*    G  13          2HO*        G  13   6.481  13.120  -6.230
  139    H1*    G  13           H1*        G  13   4.218  10.809  -5.101
  140    H8     G  13           H8         G  13   3.112  12.717  -2.036
  141    H1     G  13           H1         G  13  -1.576  11.347  -6.198
  142   1H2     G  13          H21         G  13   0.980  10.378  -8.308
  143   2H2     G  13          H22         G  13  -0.742  10.572  -8.063
  144   1H5*    C  14          1H5*        C  14   6.709  15.901  -7.206
  145   2H5*    C  14          2H5*        C  14   6.851  17.551  -6.567
  146    H4*    C  14           H4*        C  14   5.580  17.530  -8.622
  147    H3*    C  14           H3*        C  14   3.973  18.251  -6.171
  148    H2*    C  14           H2*        C  14   2.123  18.672  -7.661
  149   2HO*    C  14          2HO*        C  14   3.263  17.996 -10.028
  150    H1*    C  14           H1*        C  14   2.607  16.376  -9.243
  151   1H4     C  14          H41         C  14  -0.769  14.286  -3.986
  152   2H4     C  14          H42         C  14  -1.983  14.940  -5.074
  153    H5     C  14           H5         C  14   1.599  14.477  -4.419
  154    H6     C  14           H6         C  14   3.285  15.322  -5.961
  155   1H5*    U  15          1H5*        U  15   2.664  21.854  -8.300
  156   2H5*    U  15          2H5*        U  15   2.901  23.003  -6.970
  157    H4*    U  15           H4*        U  15   0.569  22.846  -7.808
  158    H3*    U  15           H3*        U  15   1.168  22.363  -4.906
  159    H2*    U  15           H2*        U  15  -1.181  21.965  -4.521
  160   2HO*    U  15          2HO*        U  15  -2.466  22.054  -6.677
  161    H1*    U  15           H1*        U  15  -1.512  20.259  -6.672
  162    H3     U  15           H3         U  15  -1.292  17.622  -2.955
  163    H5     U  15           H5         U  15   2.693  18.270  -4.105
  164    H6     U  15           H6         U  15   1.893  19.896  -5.689
  165   1H5*    U  16          1H5*        U  16  -1.297  26.971  -3.470
  166   2H5*    U  16          2H5*        U  16  -1.561  25.819  -2.147
  167    H4*    U  16           H4*        U  16  -3.647  26.809  -2.636
  168    H3*    U  16           H3*        U  16  -3.610  24.197  -2.475
  169    H2*    U  16           H2*        U  16  -2.933  23.690  -4.743
  170   2HO*    U  16          2HO*        U  16  -5.041  22.710  -4.286
  171    H1*    U  16           H1*        U  16  -4.951  25.672  -5.880
  172    H3     U  16           H3         U  16  -3.020  24.251  -9.746
  173    H5     U  16           H5         U  16   0.018  26.293  -7.685
  174    H6     U  16           H6         U  16  -1.453  26.395  -5.779
  175   1H5*    C  17          1H5*        C  17  -6.846  22.484  -3.755
  176   2H5*    C  17          2H5*        C  17  -7.711  21.992  -2.286
  177    H4*    C  17           H4*        C  17  -6.774  20.179  -3.853
  178    H3*    C  17           H3*        C  17  -7.345  19.915  -1.198
  179    H2*    C  17           H2*        C  17  -5.122  20.513  -0.413
  180   2HO*    C  17          2HO*        C  17  -4.013  18.395  -0.161
  181    H1*    C  17           H1*        C  17  -4.064  18.792  -2.742
  182   1H4     C  17          H41         C  17   1.093  22.593  -1.410
  183   2H4     C  17          H42         C  17   1.495  21.070  -0.630
  184    H5     C  17           H5         C  17  -1.075  23.082  -2.324
  185    H6     C  17           H6         C  17  -3.283  22.173  -2.801
  186   1H5*    G  18          1H5*        G  18  -8.948  19.846  -2.740
  187   2H5*    G  18          2H5*        G  18 -10.339  19.381  -1.742
  188    H4*    G  18           H4*        G  18 -11.665  19.589  -3.489
  189    H3*    G  18           H3*        G  18 -10.065  17.308  -4.520
  190    H2*    G  18           H2*        G  18 -10.267  17.934  -6.748
  191   2HO*    G  18          2HO*        G  18 -12.532  17.424  -6.595
  192    H1*    G  18           H1*        G  18 -11.535  20.594  -6.106
  193    H8     G  18           H8         G  18 -10.967  21.417  -8.483
  194    H1     G  18           H1         G  18  -4.757  20.097  -7.526
  195   1H2     G  18          H21         G  18  -5.841  18.517  -4.655
  196   2H2     G  18          H22         G  18  -4.495  18.956  -5.682
  197   1H5*    G  19          1H5*        G  19 -10.029  13.615  -4.787
  198   2H5*    G  19          2H5*        G  19  -9.515  15.309  -4.695
  199    H4*    G  19           H4*        G  19 -10.726  14.544  -7.244
  200    H3*    G  19           H3*        G  19  -8.506  12.875  -6.265
  201    H2*    G  19           H2*        G  19  -7.002  13.414  -8.026
  202   2HO*    G  19          2HO*        G  19  -8.382  14.939  -9.687
  203    H1*    G  19           H1*        G  19  -7.603  16.099  -8.368
  204    H8     G  19           H8         G  19  -7.659  14.945  -4.730
  205    H1     G  19           H1         G  19  -2.002  17.118  -6.814
  206   1H2     G  19          H21         G  19  -3.466  17.130  -9.931
  207   2H2     G  19          H22         G  19  -2.033  17.428  -8.961
  208   1H5*    C  20          1H5*        C  20  -9.356  10.934 -10.219
  209   2H5*    C  20          2H5*        C  20  -9.410   9.196  -9.864
  210    H4*    C  20           H4*        C  20  -7.796   9.766 -11.621
  211    H3*    C  20           H3*        C  20  -6.864   8.407  -9.126
  212    H2*    C  20           H2*        C  20  -4.572   8.540  -9.866
  213   2HO*    C  20          2HO*        C  20  -4.098   8.748 -11.946
  214    H1*    C  20           H1*        C  20  -4.648  11.188 -10.620
  215   1H4     C  20          H41         C  20  -4.965  11.526  -4.055
  216   2H4     C  20          H42         C  20  -3.255  11.471  -4.417
  217    H5     C  20           H5         C  20  -6.670  11.248  -5.711
  218    H6     C  20           H6         C  20  -7.123  10.914  -8.068
  219   1H5*    C  21          1H5*        C  21  -4.257   6.915 -11.507
  220   2H5*    C  21          2H5*        C  21  -4.596   5.186 -11.716
  221    H4*    C  21           H4*        C  21  -2.304   5.355 -11.236
  222    H3*    C  21           H3*        C  21  -3.875   4.381  -8.866
  223    H2*    C  21           H2*        C  21  -1.837   4.262  -7.601
  224   2HO*    C  21          2HO*        C  21  -0.519   3.374  -9.250
  225    H1*    C  21           H1*        C  21  -0.759   6.676  -8.582
  226   1H4     C  21          H41         C  21  -4.947   8.427  -3.795
  227   2H4     C  21          H42         C  21  -3.458   8.017  -2.959
  228    H5     C  21           H5         C  21  -5.258   8.086  -6.172
  229    H6     C  21           H6         C  21  -4.205   7.282  -8.227
  230   1H5*    U  22          1H5*        U  22  -1.694  -0.409  -7.963
  231   2H5*    U  22          2H5*        U  22  -2.479   0.733  -6.855
  232    H4*    U  22           H4*        U  22   0.422   0.218  -7.335
  233    H3*    U  22           H3*        U  22  -1.329   0.324  -4.903
  234    H2*    U  22           H2*        U  22   0.519   1.167  -3.613
  235   2HO*    U  22          2HO*        U  22   2.102  -0.218  -4.643
  236    H1*    U  22           H1*        U  22   1.398   3.003  -5.526
  237    H3     U  22           H3         U  22  -0.541   5.442  -2.208
  238    H5     U  22           H5         U  22  -3.713   4.188  -4.658
  239    H6     U  22           H6         U  22  -2.154   2.774  -5.823
  240   1H5*    G  23          1H5*        G  23   1.787  -0.531  -2.667
  241   2H5*    G  23          2H5*        G  23   1.304  -2.016  -1.823
  242    H4*    G  23           H4*        G  23   1.808  -0.092  -0.337
  243    H3*    G  23           H3*        G  23  -0.840  -1.490  -0.201
  244    H2*    G  23           H2*        G  23  -1.566   0.044   1.505
  245   2HO*    G  23          2HO*        G  23  -0.082   0.822   2.813
  246    H1*    G  23           H1*        G  23  -0.613   2.344   0.254
  247    H8     G  23           H8         G  23  -1.699   0.579  -2.691
  248    H1     G  23           H1         G  23  -6.704   2.396   0.884
  249   1H2     G  23          H21         G  23  -4.361   2.909   3.376
  250   2H2     G  23          H22         G  23  -6.042   2.966   2.894
  251   1H5*    C  24          1H5*        C  24  -2.139  -2.876   3.965
  252   2H5*    C  24          2H5*        C  24  -2.404  -1.304   3.187
  253    H4*    C  24           H4*        C  24  -0.722  -1.054   5.521
  254    H3*    C  24           H3*        C  24  -3.307  -2.523   5.958
  255    H2*    C  24           H2*        C  24  -3.723  -1.150   7.890
  256   2HO*    C  24          2HO*        C  24  -1.030  -0.990   7.866
  257    H1*    C  24           H1*        C  24  -2.936   1.257   6.690
  258   1H4     C  24          H41         C  24  -8.986   0.257   4.320
  259   2H4     C  24          H42         C  24  -9.247   0.869   5.944
  260    H5     C  24           H5         C  24  -6.789  -0.316   3.473
  261    H6     C  24           H6         C  24  -4.409  -0.413   4.005
  262   1H5*    U  25          1H5*        U  25  -3.807  -3.713   8.169
  263   2H5*    U  25          2H5*        U  25  -3.870  -5.482   8.282
  264    H4*    U  25           H4*        U  25  -6.094  -4.539   8.175
  265    H3*    U  25           H3*        U  25  -5.281  -6.201   5.797
  266    H2*    U  25           H2*        U  25  -7.516  -5.871   4.935
  267   2HO*    U  25          2HO*        U  25  -9.135  -5.040   6.198
  268    H1*    U  25           H1*        U  25  -7.567  -3.134   5.490
  269    H3     U  25           H3         U  25  -7.116  -3.255   0.996
  270    H5     U  25           H5         U  25  -3.285  -4.155   2.448
  271    H6     U  25           H6         U  25  -4.227  -4.250   4.662
  272   1H5*    U  26          1H5*        U  26  -9.172  -7.808   7.088
  273   2H5*    U  26          2H5*        U  26  -9.085  -9.544   6.733
  274    H4*    U  26           H4*        U  26 -10.977  -8.355   5.647
  275    H3*    U  26           H3*        U  26  -8.993  -9.811   3.903
  276    H2*    U  26           H2*        U  26 -10.374  -9.225   2.020
  277   2HO*    U  26          2HO*        U  26 -12.248  -8.293   3.971
  278    H1*    U  26           H1*        U  26 -10.886  -6.590   2.926
  279    H3     U  26           H3         U  26  -8.406  -6.287  -0.889
  280    H5     U  26           H5         U  26  -5.640  -6.925   2.206
  281    H6     U  26           H6         U  26  -7.497  -7.370   3.669
  282   1H5*    U  27          1H5*        U  27 -12.984 -11.431   2.947
  283   2H5*    U  27          2H5*        U  27 -12.749 -13.118   2.449
  284    H4*    U  27           H4*        U  27 -13.908 -11.692   0.778
  285    H3*    U  27           H3*        U  27 -11.373 -13.118   0.011
  286    H2*    U  27           H2*        U  27 -11.638 -12.218  -2.223
  287   2HO*    U  27          2HO*        U  27 -13.629 -11.827  -2.860
  288    H1*    U  27           H1*        U  27 -12.083  -9.622  -1.359
  289    H3     U  27           H3         U  27  -7.764  -9.706  -2.750
  290    H5     U  27           H5         U  27  -7.666 -11.268   1.146
  291    H6     U  27           H6         U  27 -10.071 -11.317   1.102
  292   1H5*    U  28          1H5*        U  28 -14.337 -15.203  -2.783
  293   2H5*    U  28          2H5*        U  28 -13.689 -16.852  -2.869
  294    H4*    U  28           H4*        U  28 -13.925 -15.746  -5.064
  295    H3*    U  28           H3*        U  28 -11.182 -16.662  -4.220
  296    H2*    U  28           H2*        U  28 -10.390 -15.951  -6.397
  297   2HO*    U  28          2HO*        U  28 -12.777 -14.840  -7.229
  298    H1*    U  28           H1*        U  28 -11.628 -13.467  -6.252
  299    H3     U  28           H3         U  28  -7.151 -12.973  -5.396
  300    H5     U  28           H5         U  28  -8.976 -13.691  -1.682
  301    H6     U  28           H6         U  28 -10.987 -14.270  -2.871
  302   1H5*    G  29          1H5*        G  29 -11.114 -19.712  -7.179
  303   2H5*    G  29          2H5*        G  29 -10.490 -21.121  -6.301
  304    H4*    G  29           H4*        G  29  -8.968 -20.259  -8.055
  305    H3*    G  29           H3*        G  29  -7.956 -20.340  -5.215
  306    H2*    G  29           H2*        G  29  -5.879 -19.463  -5.996
  307   2HO*    G  29          2HO*        G  29  -5.227 -19.709  -8.098
  308    H1*    G  29           H1*        G  29  -7.061 -17.878  -8.109
  309    H8     G  29           H8         G  29  -8.689 -16.987  -4.919
  310    H1     G  29           H1         G  29  -2.902 -14.309  -5.616
  311   1H2     G  29          H21         G  29  -2.516 -16.531  -8.238
  312   2H2     G  29          H22         G  29  -1.824 -15.241  -7.281
  313   1H5*    C  30          1H5*        C  30  -4.796 -21.440  -7.453
  314   2H5*    C  30          2H5*        C  30  -4.317 -23.067  -6.933
  315    H4*    C  30           H4*        C  30  -2.360 -21.752  -6.978
  316    H3*    C  30           H3*        C  30  -3.309 -22.248  -4.164
  317    H2*    C  30           H2*        C  30  -1.407 -21.009  -3.371
  318   2HO*    C  30          2HO*        C  30   0.204 -20.320  -4.923
  319    H1*    C  30           H1*        C  30  -1.585 -18.983  -5.330
  320   1H4     C  30          H41         C  30  -5.942 -17.455  -0.607
  321   2H4     C  30          H42         C  30  -4.527 -16.457  -0.320
  322    H5     C  30           H5         C  30  -6.025 -19.151  -2.329
  323    H6     C  30           H6         C  30  -4.776 -20.237  -4.121
  324   1H5*    U  31          1H5*        U  31   1.051 -22.907  -4.520
  325   2H5*    U  31          2H5*        U  31   1.336 -24.421  -3.638
  326    H4*    U  31           H4*        U  31   2.884 -22.635  -2.989
  327    H3*    U  31           H3*        U  31   1.044 -23.722  -0.868
  328    H2*    U  31           H2*        U  31   2.089 -22.249   0.712
  329   2HO*    U  31          2HO*        U  31   3.996 -21.097   0.116
  330    H1*    U  31           H1*        U  31   2.272 -20.054  -1.076
  331    H3     U  31           H3         U  31  -0.671 -18.563   1.993
  332    H5     U  31           H5         U  31  -2.849 -21.376  -0.237
  333    H6     U  31           H6         U  31  -0.800 -21.965  -1.354
  334    H3T    U  31           H3T        U  31   2.544 -25.107  -1.587
  Start of MODEL   27
    1   1H5*    A   1          1H5*        A   1   0.039 -14.127   8.947
    2   2H5*    A   1          2H5*        A   1  -0.092 -12.840   7.734
    3    H4*    A   1           H4*        A   1   2.035 -14.131   7.686
    4    H3*    A   1           H3*        A   1   0.329 -13.817   5.247
    5    H2*    A   1           H2*        A   1   1.840 -15.222   3.991
    6   2HO*    A   1          2HO*        A   1   3.556 -14.429   5.930
    7    H1*    A   1           H1*        A   1   1.975 -17.234   5.869
    8    H8     A   1           H8         A   1  -1.403 -15.543   6.099
    9   1H6     A   1          H61         A   1  -3.312 -19.563   1.796
   10   2H6     A   1          H62         A   1  -3.813 -18.325   2.926
   11    H2     A   1           H2         A   1   1.137 -19.963   2.198
   12    H5T    A   1           H5T        A   1  -1.722 -13.836   6.879
   13   1H5*    G   2          1H5*        G   2   4.034 -12.616   3.482
   14   2H5*    G   2          2H5*        G   2   3.654 -11.194   2.494
   15    H4*    G   2           H4*        G   2   4.622 -13.108   1.233
   16    H3*    G   2           H3*        G   2   1.932 -12.015   0.432
   17    H2*    G   2           H2*        G   2   1.850 -13.635  -1.327
   18   2HO*    G   2          2HO*        G   2   4.054 -14.946  -1.371
   19    H1*    G   2           H1*        G   2   3.163 -15.705   0.157
   20    H8     G   2           H8         G   2   0.507 -14.488   2.358
   21    H1     G   2           H1         G   2  -1.776 -18.094  -2.429
   22   1H2     G   2          H21         G   2   1.356 -17.683  -3.844
   23   2H2     G   2          H22         G   2  -0.246 -18.380  -3.972
   24   1H5*    U   3          1H5*        U   3   4.171 -11.420  -3.329
   25   2H5*    U   3          2H5*        U   3   3.669  -9.810  -3.878
   26    H4*    U   3           H4*        U   3   3.267 -11.454  -5.597
   27    H3*    U   3           H3*        U   3   0.805 -10.222  -4.382
   28    H2*    U   3           H2*        U   3  -0.533 -11.545  -5.855
   29   2HO*    U   3          2HO*        U   3   0.215 -11.935  -7.801
   30    H1*    U   3           H1*        U   3   1.073 -13.874  -5.681
   31    H3     U   3           H3         U   3  -2.847 -15.123  -3.826
   32    H5     U   3           H5         U   3  -1.061 -12.663  -0.927
   33    H6     U   3           H6         U   3   0.637 -12.123  -2.545
   34   1H5*    A   4          1H5*        A   4   1.193  -9.758  -9.083
   35   2H5*    A   4          2H5*        A   4   0.825  -8.026  -9.190
   36    H4*    A   4           H4*        A   4  -0.180  -9.103 -11.043
   37    H3*    A   4           H3*        A   4  -2.131  -8.143  -8.986
   38    H2*    A   4           H2*        A   4  -3.959  -9.051 -10.303
   39   2HO*    A   4          2HO*        A   4  -3.676  -9.631 -12.368
   40    H1*    A   4           H1*        A   4  -2.862 -11.546 -10.511
   41    H8     A   4           H8         A   4  -1.198 -10.488  -7.458
   42   1H6     A   4          H61         A   4  -6.382 -11.626  -4.288
   43   2H6     A   4          H62         A   4  -4.668 -11.308  -4.172
   44    H2     A   4           H2         A   4  -7.399 -11.614  -8.663
   45   1H5*    G   5          1H5*        G   5  -3.671  -5.337 -11.973
   46   2H5*    G   5          2H5*        G   5  -3.877  -3.839 -11.045
   47    H4*    G   5           H4*        G   5  -5.983  -4.815 -11.919
   48    H3*    G   5           H3*        G   5  -5.709  -4.373  -8.953
   49    H2*    G   5           H2*        G   5  -7.973  -5.190  -8.708
   50   2HO*    G   5          2HO*        G   5  -9.302  -5.466 -10.460
   51    H1*    G   5           H1*        G   5  -7.615  -7.394 -10.387
   52    H8     G   5           H8         G   5  -4.375  -7.196  -8.684
   53    H1     G   5           H1         G   5  -9.067  -9.266  -4.821
   54   1H2     G   5          H21         G   5 -11.188  -8.156  -7.302
   55   2H2     G   5          H22         G   5 -11.016  -8.907  -5.731
   56   1H5*    A   6          1H5*        A   6  -9.296  -3.612  -9.951
   57   2H5*    A   6          2H5*        A   6  -9.874  -1.985  -9.550
   58    H4*    A   6           H4*        A   6 -11.405  -3.825  -8.891
   59    H3*    A   6           H3*        A   6 -11.065  -1.517  -7.523
   60    H2*    A   6           H2*        A   6  -9.411  -2.346  -5.958
   61   2HO*    A   6          2HO*        A   6 -11.936  -3.124  -4.862
   62    H1*    A   6           H1*        A   6 -11.061  -4.940  -5.794
   63    H8     A   6           H8         A   6  -7.365  -4.389  -6.664
   64   1H6     A   6          H61         A   6  -6.117  -7.192  -1.285
   65   2H6     A   6          H62         A   6  -5.440  -6.520  -2.756
   66    H2     A   6           H2         A   6 -10.571  -6.688  -1.592
   67   1H5*    A   7          1H5*        A   7 -13.809  -3.587  -4.428
   68   2H5*    A   7          2H5*        A   7 -15.025  -2.342  -4.087
   69    H4*    A   7           H4*        A   7 -14.269  -2.891  -1.986
   70    H3*    A   7           H3*        A   7 -12.754  -0.462  -2.900
   71    H2*    A   7           H2*        A   7 -11.362  -0.593  -0.994
   72   2HO*    A   7          2HO*        A   7 -13.140  -2.307   0.373
   73    H1*    A   7           H1*        A   7 -11.864  -3.468  -0.534
   74    H8     A   7           H8         A   7  -9.896  -2.305  -3.583
   75   1H6     A   7          H61         A   7  -4.834  -3.469  -0.214
   76   2H6     A   7          H62         A   7  -5.441  -3.041  -1.799
   77    H2     A   7           H2         A   7  -8.414  -3.877   2.462
   78   1H5*    A   8          1H5*        A   8 -14.733   2.999   0.180
   79   2H5*    A   8          2H5*        A   8 -13.033   3.503   0.233
   80    H4*    A   8           H4*        A   8 -14.588   2.129   2.205
   81    H3*    A   8           H3*        A   8 -11.857   3.372   2.158
   82    H2*    A   8           H2*        A   8 -11.273   2.139   4.138
   83   2HO*    A   8          2HO*        A   8 -12.810   1.670   5.528
   84    H1*    A   8           H1*        A   8 -12.423  -0.276   3.331
   85    H8     A   8           H8         A   8 -10.874   1.272   0.307
   86   1H6     A   8          H61         A   8  -5.500  -1.239   2.089
   87   2H6     A   8          H62         A   8  -6.346  -0.424   0.795
   88    H2     A   8           H2         A   8  -8.432  -1.678   5.463
   89   1H5*    C   9          1H5*        C   9 -12.416   3.792   6.268
   90   2H5*    C   9          2H5*        C   9 -12.303   5.548   6.500
   91    H4*    C   9           H4*        C   9 -10.750   4.533   7.964
   92    H3*    C   9           H3*        C   9  -9.509   5.966   5.651
   93    H2*    C   9           H2*        C   9  -7.316   5.243   6.324
   94   2HO*    C   9          2HO*        C   9  -6.924   4.441   8.339
   95    H1*    C   9           H1*        C   9  -7.998   2.601   6.851
   96   1H4     C   9          H41         C   9  -7.961   2.977   0.262
   97   2H4     C   9          H42         C   9  -6.403   2.314   0.729
   98    H5     C   9           H5         C   9  -9.600   3.753   1.874
   99    H6     C   9           H6         C   9 -10.076   4.038   4.245
  100   1H5*    A  10          1H5*        A  10  -6.819   7.012   8.508
  101   2H5*    A  10          2H5*        A  10  -6.403   8.720   8.261
  102    H4*    A  10           H4*        A  10  -4.526   7.076   7.986
  103    H3*    A  10           H3*        A  10  -5.190   9.036   5.799
  104    H2*    A  10           H2*        A  10  -3.352   8.148   4.532
  105   2HO*    A  10          2HO*        A  10  -2.124   7.951   6.687
  106    H1*    A  10           H1*        A  10  -3.828   5.445   5.261
  107    H8     A  10           H8         A  10  -7.181   6.525   4.416
  108   1H6     A  10          H61         A  10  -5.671   6.238  -1.583
  109   2H6     A  10          H62         A  10  -6.990   6.361  -0.441
  110    H2     A  10           H2         A  10  -1.887   6.067   0.815
  111   1H5*    A  11          1H5*        A  11  -2.078  12.725   5.353
  112   2H5*    A  11          2H5*        A  11  -1.706  11.244   4.450
  113    H4*    A  11           H4*        A  11   0.061  12.747   6.368
  114    H3*    A  11           H3*        A  11  -0.033  13.369   3.824
  115    H2*    A  11           H2*        A  11   0.083  11.191   2.823
  116   2HO*    A  11          2HO*        A  11   2.392  12.543   2.860
  117    H1*    A  11           H1*        A  11   2.243  10.187   4.690
  118    H8     A  11           H8         A  11  -1.181   9.008   5.427
  119   1H6     A  11          H61         A  11  -0.100   4.195   1.686
  120   2H6     A  11          H62         A  11  -1.176   4.856   2.897
  121    H2     A  11           H2         A  11   3.190   7.179   1.097
  122   1H5*    G  12          1H5*        G  12   4.547  13.004   3.513
  123   2H5*    G  12          2H5*        G  12   4.976  14.676   3.100
  124    H4*    G  12           H4*        G  12   6.070  13.283   1.548
  125    H3*    G  12           H3*        G  12   3.709  14.701   0.345
  126    H2*    G  12           H2*        G  12   4.195  13.623  -1.760
  127   2HO*    G  12          2HO*        G  12   6.547  12.663  -0.444
  128    H1*    G  12           H1*        G  12   4.606  11.094  -0.668
  129    H8     G  12           H8         G  12   1.878  13.094   1.080
  130    H1     G  12           H1         G  12  -0.083   9.527  -3.880
  131   1H2     G  12          H21         G  12   3.290   9.010  -4.457
  132   2H2     G  12          H22         G  12   1.641   8.698  -4.951
  133   1H5*    G  13          1H5*        G  13   6.678  14.541  -2.374
  134   2H5*    G  13          2H5*        G  13   7.132  16.176  -2.894
  135    H4*    G  13           H4*        G  13   6.940  14.909  -4.854
  136    H3*    G  13           H3*        G  13   4.525  16.667  -4.479
  137    H2*    G  13           H2*        G  13   3.687  15.816  -6.588
  138   2HO*    G  13          2HO*        G  13   5.372  15.498  -7.925
  139    H1*    G  13           H1*        G  13   4.190  13.154  -5.961
  140    H8     G  13           H8         G  13   3.247  15.006  -2.821
  141    H1     G  13           H1         G  13  -1.719  12.925  -6.313
  142   1H2     G  13          H21         G  13   0.649  12.240  -8.728
  143   2H2     G  13          H22         G  13  -1.037  12.215  -8.264
  144   1H5*    C  14          1H5*        C  14   5.637  18.561  -8.438
  145   2H5*    C  14          2H5*        C  14   5.228  20.238  -8.024
  146    H4*    C  14           H4*        C  14   3.957  19.291  -9.942
  147    H3*    C  14           H3*        C  14   2.391  20.295  -7.559
  148    H2*    C  14           H2*        C  14   0.410  19.880  -8.873
  149   2HO*    C  14          2HO*        C  14   0.936  20.515 -10.912
  150    H1*    C  14           H1*        C  14   1.356  17.397  -9.858
  151   1H4     C  14          H41         C  14  -1.190  16.197  -3.898
  152   2H4     C  14          H42         C  14  -2.580  16.295  -4.965
  153    H5     C  14           H5         C  14   1.052  16.720  -4.632
  154    H6     C  14           H6         C  14   2.420  17.441  -6.510
  155   1H5*    U  15          1H5*        U  15   0.142  22.987 -10.012
  156   2H5*    U  15          2H5*        U  15  -0.151  24.237  -8.788
  157    H4*    U  15           H4*        U  15  -2.093  22.722  -9.618
  158    H3*    U  15           H3*        U  15  -1.636  23.561  -6.768
  159    H2*    U  15           H2*        U  15  -3.616  22.291  -6.163
  160   2HO*    U  15          2HO*        U  15  -3.899  22.200  -8.976
  161    H1*    U  15           H1*        U  15  -2.786  20.012  -7.452
  162    H3     U  15           H3         U  15  -1.784  19.649  -2.976
  163    H5     U  15           H5         U  15   1.643  21.192  -4.851
  164    H6     U  15           H6         U  15   0.320  21.508  -6.837
  165   1H5*    U  16          1H5*        U  16  -5.128  27.549  -6.533
  166   2H5*    U  16          2H5*        U  16  -5.168  26.732  -4.959
  167    H4*    U  16           H4*        U  16  -7.402  27.136  -5.469
  168    H3*    U  16           H3*        U  16  -6.855  24.623  -4.966
  169    H2*    U  16           H2*        U  16  -6.173  23.949  -7.194
  170   2HO*    U  16          2HO*        U  16  -7.826  22.495  -6.697
  171    H1*    U  16           H1*        U  16  -8.607  25.347  -8.402
  172    H3     U  16           H3         U  16  -6.806  23.978 -12.334
  173    H5     U  16           H5         U  16  -3.838  26.394 -10.600
  174    H6     U  16           H6         U  16  -5.202  26.490  -8.608
  175   1H5*    C  17          1H5*        C  17  -9.671  22.210  -5.552
  176   2H5*    C  17          2H5*        C  17 -10.342  21.807  -3.960
  177    H4*    C  17           H4*        C  17  -9.024  20.025  -5.312
  178    H3*    C  17           H3*        C  17  -9.538  20.030  -2.628
  179    H2*    C  17           H2*        C  17  -7.511  21.208  -1.991
  180   2HO*    C  17          2HO*        C  17  -6.696  18.477  -2.259
  181    H1*    C  17           H1*        C  17  -6.065  19.485  -4.099
  182   1H4     C  17          H41         C  17  -1.965  24.528  -3.402
  183   2H4     C  17          H42         C  17  -1.278  23.314  -2.339
  184    H5     C  17           H5         C  17  -4.127  24.315  -4.437
  185    H6     C  17           H6         C  17  -6.055  22.855  -4.733
  186   1H5*    G  18          1H5*        G  18 -11.156  19.219  -3.780
  187   2H5*    G  18          2H5*        G  18 -12.377  18.475  -2.731
  188    H4*    G  18           H4*        G  18 -13.641  18.057  -4.483
  189    H3*    G  18           H3*        G  18 -11.364  16.322  -5.304
  190    H2*    G  18           H2*        G  18 -11.849  16.557  -7.585
  191   2HO*    G  18          2HO*        G  18 -13.751  15.690  -7.963
  192    H1*    G  18           H1*        G  18 -13.811  18.790  -7.131
  193    H8     G  18           H8         G  18 -13.556  19.639  -9.544
  194    H1     G  18           H1         G  18  -7.169  19.879  -8.911
  195   1H2     G  18          H21         G  18  -7.708  18.289  -5.896
  196   2H2     G  18          H22         G  18  -6.557  18.963  -7.026
  197   1H5*    G  19          1H5*        G  19 -10.050  13.130  -4.335
  198   2H5*    G  19          2H5*        G  19 -10.517  14.812  -4.624
  199    H4*    G  19           H4*        G  19 -11.218  13.231  -6.895
  200    H3*    G  19           H3*        G  19  -8.556  12.514  -5.831
  201    H2*    G  19           H2*        G  19  -7.420  13.055  -7.865
  202   2HO*    G  19          2HO*        G  19  -8.917  12.101  -9.289
  203    H1*    G  19           H1*        G  19  -8.751  15.396  -8.481
  204    H8     G  19           H8         G  19  -8.507  15.185  -4.744
  205    H1     G  19           H1         G  19  -3.268  17.577  -7.555
  206   1H2     G  19          H21         G  19  -4.691  16.481 -10.498
  207   2H2     G  19          H22         G  19  -3.333  17.271  -9.724
  208   1H5*    C  20          1H5*        C  20  -9.130  10.101  -9.267
  209   2H5*    C  20          2H5*        C  20  -8.789   8.387  -8.955
  210    H4*    C  20           H4*        C  20  -7.532   9.168 -10.856
  211    H3*    C  20           H3*        C  20  -6.003   8.313  -8.437
  212    H2*    C  20           H2*        C  20  -3.921   8.972  -9.460
  213   2HO*    C  20          2HO*        C  20  -3.756   9.334 -11.606
  214    H1*    C  20           H1*        C  20  -4.778  11.433 -10.345
  215   1H4     C  20          H41         C  20  -4.511  12.331  -3.846
  216   2H4     C  20          H42         C  20  -2.865  12.577  -4.375
  217    H5     C  20           H5         C  20  -6.261  11.570  -5.271
  218    H6     C  20           H6         C  20  -6.850  10.893  -7.511
  219   1H5*    C  21          1H5*        C  21  -3.513   7.128 -10.824
  220   2H5*    C  21          2H5*        C  21  -3.576   5.371 -11.069
  221    H4*    C  21           H4*        C  21  -1.324   5.762 -10.825
  222    H3*    C  21           H3*        C  21  -2.441   4.893  -8.180
  223    H2*    C  21           H2*        C  21  -0.280   5.198  -7.170
  224   2HO*    C  21          2HO*        C  21   1.162   4.458  -8.642
  225    H1*    C  21           H1*        C  21   0.282   7.637  -8.418
  226   1H4     C  21          H41         C  21  -3.893   9.350  -3.642
  227   2H4     C  21          H42         C  21  -2.345   9.168  -2.829
  228    H5     C  21           H5         C  21  -4.239   8.740  -5.967
  229    H6     C  21           H6         C  21  -3.168   7.838  -7.972
  230   1H5*    U  22          1H5*        U  22  -0.205   0.588  -6.710
  231   2H5*    U  22          2H5*        U  22  -1.081   1.793  -5.747
  232    H4*    U  22           H4*        U  22   1.852   1.352  -6.060
  233    H3*    U  22           H3*        U  22  -0.003   1.640  -3.725
  234    H2*    U  22           H2*        U  22   1.735   2.732  -2.463
  235   2HO*    U  22          2HO*        U  22   3.433   2.131  -4.685
  236    H1*    U  22           H1*        U  22   2.542   4.444  -4.490
  237    H3     U  22           H3         U  22   0.022   6.773  -1.433
  238    H5     U  22           H5         U  22  -2.645   5.398  -4.371
  239    H6     U  22           H6         U  22  -0.861   4.036  -5.242
  240   1H5*    G  23          1H5*        G  23   3.483   1.498  -1.576
  241   2H5*    G  23          2H5*        G  23   3.444  -0.206  -1.082
  242    H4*    G  23           H4*        G  23   4.016   1.280   0.764
  243    H3*    G  23           H3*        G  23   1.578  -0.430   0.949
  244    H2*    G  23           H2*        G  23   0.940   0.581   3.037
  245   2HO*    G  23          2HO*        G  23   2.597   2.421   3.631
  246    H1*    G  23           H1*        G  23   1.348   3.201   2.267
  247    H8     G  23           H8         G  23   0.319   1.773  -0.930
  248    H1     G  23           H1         G  23  -4.605   2.293   3.145
  249   1H2     G  23          H21         G  23  -2.176   2.797   5.557
  250   2H2     G  23          H22         G  23  -3.880   2.668   5.178
  251   1H5*    C  24          1H5*        C  24   1.369  -3.659   4.234
  252   2H5*    C  24          2H5*        C  24  -0.014  -2.597   3.907
  253    H4*    C  24           H4*        C  24   1.826  -2.485   6.294
  254    H3*    C  24           H3*        C  24  -0.951  -3.582   5.986
  255    H2*    C  24           H2*        C  24  -1.501  -2.717   8.170
  256   2HO*    C  24          2HO*        C  24   0.040  -2.378   9.613
  257    H1*    C  24           H1*        C  24  -0.368  -0.211   7.752
  258   1H4     C  24          H41         C  24  -5.897   0.044   4.205
  259   2H4     C  24          H42         C  24  -6.462   0.126   5.867
  260    H5     C  24           H5         C  24  -3.591  -0.384   3.624
  261    H6     C  24           H6         C  24  -1.361  -0.826   4.506
  262   1H5*    U  25          1H5*        U  25  -1.979  -4.866   8.811
  263   2H5*    U  25          2H5*        U  25  -2.077  -6.630   8.655
  264    H4*    U  25           H4*        U  25  -4.265  -5.693   9.032
  265    H3*    U  25           H3*        U  25  -3.821  -6.953   6.340
  266    H2*    U  25           H2*        U  25  -6.118  -6.441   5.787
  267   2HO*    U  25          2HO*        U  25  -7.581  -5.970   7.318
  268    H1*    U  25           H1*        U  25  -6.013  -3.819   6.688
  269    H3     U  25           H3         U  25  -5.784  -3.294   2.213
  270    H5     U  25           H5         U  25  -1.939  -4.594   3.291
  271    H6     U  25           H6         U  25  -2.770  -4.964   5.518
  272   1H5*    U  26          1H5*        U  26  -7.408  -7.835   7.532
  273   2H5*    U  26          2H5*        U  26  -7.682  -9.574   7.747
  274    H4*    U  26           H4*        U  26  -9.564  -8.903   6.607
  275    H3*    U  26           H3*        U  26  -7.615  -9.908   4.533
  276    H2*    U  26           H2*        U  26  -9.332  -9.483   2.891
  277   2HO*    U  26          2HO*        U  26 -11.426  -9.241   3.454
  278    H1*    U  26           H1*        U  26 -10.052  -6.988   3.978
  279    H3     U  26           H3         U  26  -8.044  -5.907   0.080
  280    H5     U  26           H5         U  26  -4.872  -6.950   2.629
  281    H6     U  26           H6         U  26  -6.507  -7.674   4.240
  282   1H5*    U  27          1H5*        U  27 -11.455 -11.480   4.130
  283   2H5*    U  27          2H5*        U  27 -11.488 -13.176   3.609
  284    H4*    U  27           H4*        U  27 -12.913 -11.697   2.252
  285    H3*    U  27           H3*        U  27 -10.675 -13.155   0.854
  286    H2*    U  27           H2*        U  27 -11.533 -12.236  -1.217
  287   2HO*    U  27          2HO*        U  27 -13.625 -11.847  -1.279
  288    H1*    U  27           H1*        U  27 -11.731  -9.645  -0.209
  289    H3     U  27           H3         U  27  -8.077  -9.927  -2.943
  290    H5     U  27           H5         U  27  -6.734 -10.987   0.894
  291    H6     U  27           H6         U  27  -9.034 -11.091   1.579
  292   1H5*    U  28          1H5*        U  28 -14.316 -14.514  -1.378
  293   2H5*    U  28          2H5*        U  28 -14.003 -16.246  -1.608
  294    H4*    U  28           H4*        U  28 -14.544 -15.112  -3.701
  295    H3*    U  28           H3*        U  28 -11.791 -16.317  -3.483
  296    H2*    U  28           H2*        U  28 -11.431 -15.655  -5.787
  297   2HO*    U  28          2HO*        U  28 -14.133 -15.693  -5.813
  298    H1*    U  28           H1*        U  28 -12.342 -13.059  -5.394
  299    H3     U  28           H3         U  28  -7.800 -12.765  -5.482
  300    H5     U  28           H5         U  28  -8.748 -13.917  -1.554
  301    H6     U  28           H6         U  28 -11.023 -14.225  -2.273
  302   1H5*    G  29          1H5*        G  29 -12.721 -19.357  -6.313
  303   2H5*    G  29          2H5*        G  29 -12.131 -20.843  -5.543
  304    H4*    G  29           H4*        G  29 -10.884 -20.253  -7.576
  305    H3*    G  29           H3*        G  29  -9.344 -20.329  -4.985
  306    H2*    G  29           H2*        G  29  -7.378 -19.742  -6.195
  307   2HO*    G  29          2HO*        G  29  -8.524 -21.284  -8.033
  308    H1*    G  29           H1*        G  29  -8.781 -18.178  -8.198
  309    H8     G  29           H8         G  29  -9.543 -16.889  -4.810
  310    H1     G  29           H1         G  29  -3.832 -14.978  -7.016
  311   1H2     G  29          H21         G  29  -4.307 -17.373  -9.465
  312   2H2     G  29          H22         G  29  -3.278 -16.124  -8.794
  313   1H5*    C  30          1H5*        C  30  -6.988 -22.397  -8.032
  314   2H5*    C  30          2H5*        C  30  -6.501 -23.898  -7.221
  315    H4*    C  30           H4*        C  30  -4.612 -22.745  -8.243
  316    H3*    C  30           H3*        C  30  -4.587 -23.102  -5.260
  317    H2*    C  30           H2*        C  30  -2.457 -21.983  -5.177
  318   2HO*    C  30          2HO*        C  30  -2.459 -21.766  -8.007
  319    H1*    C  30           H1*        C  30  -3.150 -19.937  -6.960
  320   1H4     C  30          H41         C  30  -5.986 -18.303  -1.231
  321   2H4     C  30          H42         C  30  -4.478 -17.410  -1.295
  322    H5     C  30           H5         C  30  -6.625 -19.932  -2.891
  323    H6     C  30           H6         C  30  -5.959 -21.042  -4.958
  324   1H5*    U  31          1H5*        U  31  -0.815 -23.537  -6.184
  325   2H5*    U  31          2H5*        U  31  -0.356 -25.230  -5.914
  326    H4*    U  31           H4*        U  31   1.365 -24.051  -4.929
  327    H3*    U  31           H3*        U  31  -0.600 -24.853  -2.800
  328    H2*    U  31           H2*        U  31   0.771 -23.746  -1.166
  329   2HO*    U  31          2HO*        U  31   2.868 -23.338  -1.528
  330    H1*    U  31           H1*        U  31   1.289 -21.478  -2.746
  331    H3     U  31           H3         U  31  -1.472 -19.710   0.319
  332    H5     U  31           H5         U  31  -3.982 -22.181  -1.970
  333    H6     U  31           H6         U  31  -2.022 -22.973  -3.122
  334    H3T    U  31           H3T        U  31   1.081 -26.146  -4.091
  Start of MODEL   28
    1   1H5*    A   1          1H5*        A   1   2.486 -16.057   7.931
    2   2H5*    A   1          2H5*        A   1   1.818 -14.732   6.960
    3    H4*    A   1           H4*        A   1   4.131 -15.603   6.360
    4    H3*    A   1           H3*        A   1   1.948 -15.072   4.386
    5    H2*    A   1           H2*        A   1   3.320 -15.944   2.598
    6   2HO*    A   1          2HO*        A   1   5.425 -15.748   2.815
    7    H1*    A   1           H1*        A   1   4.054 -18.253   3.903
    8    H8     A   1           H8         A   1   0.680 -17.412   5.271
    9   1H6     A   1          H61         A   1  -1.742 -20.235   0.325
   10   2H6     A   1          H62         A   1  -2.085 -19.537   1.892
   11    H2     A   1           H2         A   1   2.669 -19.782  -0.353
   12    H5T    A   1           H5T        A   1   0.198 -16.023   6.668
   13   1H5*    G   2          1H5*        G   2   5.120 -13.912   2.432
   14   2H5*    G   2          2H5*        G   2   4.914 -12.385   1.551
   15    H4*    G   2           H4*        G   2   5.460 -14.298   0.097
   16    H3*    G   2           H3*        G   2   2.875 -12.828  -0.361
   17    H2*    G   2           H2*        G   2   2.419 -14.304  -2.202
   18   2HO*    G   2          2HO*        G   2   4.845 -15.683  -1.908
   19    H1*    G   2           H1*        G   2   3.330 -16.637  -0.914
   20    H8     G   2           H8         G   2   1.448 -15.107   1.779
   21    H1     G   2           H1         G   2  -2.415 -17.252  -2.868
   22   1H2     G   2          H21         G   2   0.469 -17.440  -4.771
   23   2H2     G   2          H22         G   2  -1.262 -17.680  -4.686
   24   1H5*    U   3          1H5*        U   3   4.945 -12.010  -4.305
   25   2H5*    U   3          2H5*        U   3   4.368 -10.387  -4.731
   26    H4*    U   3           H4*        U   3   3.840 -12.045  -6.445
   27    H3*    U   3           H3*        U   3   1.529 -10.690  -5.076
   28    H2*    U   3           H2*        U   3   0.039 -11.941  -6.512
   29   2HO*    U   3          2HO*        U   3   1.466 -11.806  -8.387
   30    H1*    U   3           H1*        U   3   1.324 -14.377  -6.124
   31    H3     U   3           H3         U   3  -2.401 -14.733  -3.578
   32    H5     U   3           H5         U   3   0.198 -12.343  -1.306
   33    H6     U   3           H6         U   3   1.676 -12.278  -3.203
   34   1H5*    A   4          1H5*        A   4   1.241  -9.494  -9.537
   35   2H5*    A   4          2H5*        A   4   0.497  -7.885  -9.491
   36    H4*    A   4           H4*        A   4  -0.640  -9.534 -10.967
   37    H3*    A   4           H3*        A   4  -2.181  -8.144  -8.795
   38    H2*    A   4           H2*        A   4  -4.164  -9.364  -9.496
   39   2HO*    A   4          2HO*        A   4  -4.247 -10.364 -11.410
   40    H1*    A   4           H1*        A   4  -2.930 -11.817  -9.431
   41    H8     A   4           H8         A   4  -0.953 -10.115  -6.859
   42   1H6     A   4          H61         A   4  -5.703 -10.789  -2.941
   43   2H6     A   4          H62         A   4  -4.005 -10.389  -3.079
   44    H2     A   4           H2         A   4  -7.178 -11.656  -7.084
   45   1H5*    G   5          1H5*        G   5  -4.468  -6.141 -11.927
   46   2H5*    G   5          2H5*        G   5  -4.563  -4.462 -11.365
   47    H4*    G   5           H4*        G   5  -6.744  -5.628 -11.528
   48    H3*    G   5           H3*        G   5  -5.920  -4.482  -8.863
   49    H2*    G   5           H2*        G   5  -8.075  -5.183  -8.016
   50   2HO*    G   5          2HO*        G   5  -9.242  -6.447  -9.971
   51    H1*    G   5           H1*        G   5  -7.985  -7.718  -9.223
   52    H8     G   5           H8         G   5  -4.530  -7.322  -8.123
   53    H1     G   5           H1         G   5  -8.557  -8.227  -3.207
   54   1H2     G   5          H21         G   5 -11.039  -7.531  -5.502
   55   2H2     G   5          H22         G   5 -10.625  -7.944  -3.853
   56   1H5*    A   6          1H5*        A   6  -9.584  -3.848  -9.824
   57   2H5*    A   6          2H5*        A   6 -10.281  -2.224  -9.677
   58    H4*    A   6           H4*        A   6 -11.639  -4.059  -8.674
   59    H3*    A   6           H3*        A   6 -11.478  -1.519  -7.716
   60    H2*    A   6           H2*        A   6  -9.784  -1.939  -6.040
   61   2HO*    A   6          2HO*        A   6 -11.575  -3.000  -4.304
   62    H1*    A   6           H1*        A   6 -11.178  -4.630  -5.483
   63    H8     A   6           H8         A   6  -7.544  -3.788  -6.417
   64   1H6     A   6          H61         A   6  -6.089  -5.680  -0.709
   65   2H6     A   6          H62         A   6  -5.463  -5.142  -2.255
   66    H2     A   6           H2         A   6 -10.561  -5.752  -1.097
   67   1H5*    A   7          1H5*        A   7 -14.267  -3.397  -4.431
   68   2H5*    A   7          2H5*        A   7 -15.453  -2.116  -4.116
   69    H4*    A   7           H4*        A   7 -14.618  -2.641  -2.017
   70    H3*    A   7           H3*        A   7 -13.187  -0.184  -3.016
   71    H2*    A   7           H2*        A   7 -11.825  -0.224  -1.077
   72   2HO*    A   7          2HO*        A   7 -14.103  -1.513   0.000
   73    H1*    A   7           H1*        A   7 -12.199  -3.116  -0.621
   74    H8     A   7           H8         A   7 -10.241  -1.818  -3.653
   75   1H6     A   7          H61         A   7  -5.200  -2.856  -0.209
   76   2H6     A   7          H62         A   7  -5.785  -2.416  -1.798
   77    H2     A   7           H2         A   7  -8.807  -3.484   2.377
   78   1H5*    A   8          1H5*        A   8 -14.667   3.412  -0.117
   79   2H5*    A   8          2H5*        A   8 -12.939   3.763  -0.309
   80    H4*    A   8           H4*        A   8 -14.342   2.095   1.679
   81    H3*    A   8           H3*        A   8 -11.886   3.837   1.714
   82    H2*    A   8           H2*        A   8 -11.068   2.566   3.573
   83   2HO*    A   8          2HO*        A   8 -12.506   1.884   4.977
   84    H1*    A   8           H1*        A   8 -12.021   0.060   2.628
   85    H8     A   8           H8         A   8 -10.407   1.408  -0.329
   86   1H6     A   8          H61         A   8  -4.893   0.041   2.130
   87   2H6     A   8          H62         A   8  -5.740   0.502   0.671
   88    H2     A   8           H2         A   8  -7.978  -0.270   5.373
   89   1H5*    C   9          1H5*        C   9 -12.437   4.446   5.370
   90   2H5*    C   9          2H5*        C   9 -12.816   6.134   5.765
   91    H4*    C   9           H4*        C   9 -10.952   5.794   7.035
   92    H3*    C   9           H3*        C   9 -10.046   6.970   4.427
   93    H2*    C   9           H2*        C   9  -7.756   6.752   5.127
   94   2HO*    C   9          2HO*        C   9  -8.630   7.242   7.460
   95    H1*    C   9           H1*        C   9  -8.023   4.186   6.216
   96   1H4     C   9          H41         C   9  -7.716   3.223  -0.304
   97   2H4     C   9          H42         C   9  -6.079   3.017   0.303
   98    H5     C   9           H5         C   9  -9.561   3.956   1.107
   99    H6     C   9           H6         C   9 -10.191   4.631   3.364
  100   1H5*    A  10          1H5*        A  10  -7.835  10.113   7.194
  101   2H5*    A  10          2H5*        A  10  -7.591  11.265   5.866
  102    H4*    A  10           H4*        A  10  -5.659   9.706   7.067
  103    H3*    A  10           H3*        A  10  -5.674  11.295   4.523
  104    H2*    A  10           H2*        A  10  -3.599  10.278   3.873
  105   2HO*    A  10          2HO*        A  10  -2.555   8.833   5.449
  106    H1*    A  10           H1*        A  10  -4.264   7.680   4.702
  107    H8     A  10           H8         A  10  -7.421   8.606   3.205
  108   1H6     A  10          H61         A  10  -4.869   7.950  -2.400
  109   2H6     A  10          H62         A  10  -6.371   8.116  -1.519
  110    H2     A  10           H2         A  10  -1.568   8.043   0.631
  111   1H5*    A  11          1H5*        A  11  -2.441  14.323   3.874
  112   2H5*    A  11          2H5*        A  11  -1.899  12.633   3.884
  113    H4*    A  11           H4*        A  11  -0.633  14.867   5.468
  114    H3*    A  11           H3*        A  11  -0.281  14.919   2.871
  115    H2*    A  11           H2*        A  11   0.183  12.615   2.410
  116   2HO*    A  11          2HO*        A  11   2.649  12.422   2.799
  117    H1*    A  11           H1*        A  11   1.968  12.207   4.810
  118    H8     A  11           H8         A  11  -1.303  10.835   5.502
  119   1H6     A  11          H61         A  11   0.288   5.670   2.491
  120   2H6     A  11          H62         A  11  -0.869   6.400   3.577
  121    H2     A  11           H2         A  11   3.315   8.842   1.512
  122   1H5*    G  12          1H5*        G  12   4.248  14.622   3.143
  123   2H5*    G  12          2H5*        G  12   4.643  16.296   2.708
  124    H4*    G  12           H4*        G  12   6.022  15.113   1.319
  125    H3*    G  12           H3*        G  12   3.525  15.793  -0.195
  126    H2*    G  12           H2*        G  12   4.354  14.566  -2.093
  127   2HO*    G  12          2HO*        G  12   6.772  14.470  -0.582
  128    H1*    G  12           H1*        G  12   5.223  12.362  -0.676
  129    H8     G  12           H8         G  12   2.051  13.980   0.706
  130    H1     G  12           H1         G  12   1.126   9.334  -3.620
  131   1H2     G  12          H21         G  12   4.557   9.448  -4.037
  132   2H2     G  12          H22         G  12   3.036   8.721  -4.502
  133   1H5*    G  13          1H5*        G  13   6.839  15.995  -2.919
  134   2H5*    G  13          2H5*        G  13   6.686  17.576  -3.710
  135    H4*    G  13           H4*        G  13   6.961  15.900  -5.384
  136    H3*    G  13           H3*        G  13   4.235  17.144  -5.284
  137    H2*    G  13           H2*        G  13   3.536  15.710  -7.104
  138   2HO*    G  13          2HO*        G  13   6.322  15.280  -7.275
  139    H1*    G  13           H1*        G  13   4.551  13.386  -6.002
  140    H8     G  13           H8         G  13   3.417  15.817  -3.318
  141    H1     G  13           H1         G  13  -1.120  11.838  -5.485
  142   1H2     G  13          H21         G  13   1.214  10.957  -7.876
  143   2H2     G  13          H22         G  13  -0.395  10.725  -7.228
  144   1H5*    C  14          1H5*        C  14   4.581  18.123  -9.677
  145   2H5*    C  14          2H5*        C  14   4.222  19.850  -9.485
  146    H4*    C  14           H4*        C  14   2.670  18.812 -11.020
  147    H3*    C  14           H3*        C  14   1.413  19.714  -8.426
  148    H2*    C  14           H2*        C  14  -0.706  19.096  -9.405
  149   2HO*    C  14          2HO*        C  14  -0.915  18.715 -11.574
  150    H1*    C  14           H1*        C  14   0.289  16.686 -10.507
  151   1H4     C  14          H41         C  14  -1.090  15.414  -4.188
  152   2H4     C  14          H42         C  14  -2.625  15.275  -5.031
  153    H5     C  14           H5         C  14   0.919  16.207  -5.277
  154    H6     C  14           H6         C  14   1.879  16.977  -7.380
  155   1H5*    U  15          1H5*        U  15  -1.490  21.835 -10.975
  156   2H5*    U  15          2H5*        U  15  -1.634  23.310 -10.001
  157    H4*    U  15           H4*        U  15  -3.746  22.035 -10.272
  158    H3*    U  15           H3*        U  15  -2.702  22.636  -7.520
  159    H2*    U  15           H2*        U  15  -4.638  21.510  -6.600
  160   2HO*    U  15          2HO*        U  15  -5.473  21.582  -9.315
  161    H1*    U  15           H1*        U  15  -4.357  19.263  -8.164
  162    H3     U  15           H3         U  15  -2.522  18.060  -4.183
  163    H5     U  15           H5         U  15   0.505  20.183  -6.163
  164    H6     U  15           H6         U  15  -1.111  20.775  -7.844
  165   1H5*    U  16          1H5*        U  16  -6.597  26.276  -6.504
  166   2H5*    U  16          2H5*        U  16  -6.183  25.449  -4.990
  167    H4*    U  16           H4*        U  16  -8.530  25.496  -5.112
  168    H3*    U  16           H3*        U  16  -7.454  23.152  -4.623
  169    H2*    U  16           H2*        U  16  -7.062  22.454  -6.912
  170   2HO*    U  16          2HO*        U  16  -8.261  20.748  -6.184
  171    H1*    U  16           H1*        U  16  -9.880  23.340  -7.699
  172    H3     U  16           H3         U  16  -8.592  21.879 -11.777
  173    H5     U  16           H5         U  16  -5.934  25.007 -10.888
  174    H6     U  16           H6         U  16  -6.856  25.060  -8.667
  175   1H5*    C  17          1H5*        C  17  -9.850  20.226  -4.752
  176   2H5*    C  17          2H5*        C  17 -10.307  19.869  -3.074
  177    H4*    C  17           H4*        C  17  -8.975  18.112  -4.366
  178    H3*    C  17           H3*        C  17  -9.040  18.416  -1.665
  179    H2*    C  17           H2*        C  17  -7.126  19.912  -1.540
  180   2HO*    C  17          2HO*        C  17  -6.438  18.293  -0.210
  181    H1*    C  17           H1*        C  17  -5.803  18.058  -3.614
  182   1H4     C  17          H41         C  17  -2.401  23.645  -4.181
  183   2H4     C  17          H42         C  17  -1.331  22.591  -3.266
  184    H5     C  17           H5         C  17  -4.683  23.096  -4.690
  185    H6     C  17           H6         C  17  -6.405  21.383  -4.513
  186   1H5*    G  18          1H5*        G  18 -10.749  17.339  -2.484
  187   2H5*    G  18          2H5*        G  18 -11.656  16.567  -1.171
  188    H4*    G  18           H4*        G  18 -13.149  15.843  -2.619
  189    H3*    G  18           H3*        G  18 -10.858  14.282  -3.711
  190    H2*    G  18           H2*        G  18 -11.726  14.257  -5.876
  191   2HO*    G  18          2HO*        G  18 -13.526  13.121  -5.819
  192    H1*    G  18           H1*        G  18 -13.860  16.287  -5.258
  193    H8     G  18           H8         G  18 -14.123  16.940  -7.719
  194    H1     G  18           H1         G  18  -7.800  17.932  -8.254
  195   1H2     G  18          H21         G  18  -7.618  16.566  -5.097
  196   2H2     G  18          H22         G  18  -6.769  17.262  -6.459
  197   1H5*    G  19          1H5*        G  19  -9.144  11.208  -2.526
  198   2H5*    G  19          2H5*        G  19  -9.742  12.809  -3.000
  199    H4*    G  19           H4*        G  19 -10.587  10.780  -4.865
  200    H3*    G  19           H3*        G  19  -7.736  10.601  -4.126
  201    H2*    G  19           H2*        G  19  -6.943  10.974  -6.349
  202   2HO*    G  19          2HO*        G  19  -8.270  10.717  -8.121
  203    H1*    G  19           H1*        G  19  -8.675  12.979  -7.104
  204    H8     G  19           H8         G  19  -7.836  13.193  -3.405
  205    H1     G  19           H1         G  19  -3.796  16.332  -7.263
  206   1H2     G  19          H21         G  19  -5.449  14.738  -9.830
  207   2H2     G  19          H22         G  19  -4.170  15.840  -9.343
  208   1H5*    C  20          1H5*        C  20  -8.358   7.549  -7.074
  209   2H5*    C  20          2H5*        C  20  -7.578   6.021  -6.621
  210    H4*    C  20           H4*        C  20  -6.835   6.799  -8.799
  211    H3*    C  20           H3*        C  20  -4.819   6.541  -6.608
  212    H2*    C  20           H2*        C  20  -3.097   7.459  -8.026
  213   2HO*    C  20          2HO*        C  20  -3.402   6.735 -10.043
  214    H1*    C  20           H1*        C  20  -4.573   9.580  -8.976
  215   1H4     C  20          H41         C  20  -3.469  11.312  -2.734
  216   2H4     C  20          H42         C  20  -2.055  11.866  -3.596
  217    H5     C  20           H5         C  20  -5.189  10.000  -3.726
  218    H6     C  20           H6         C  20  -5.976   8.953  -5.750
  219   1H5*    C  21          1H5*        C  21  -2.462   5.062  -9.629
  220   2H5*    C  21          2H5*        C  21  -2.216   3.349  -9.234
  221    H4*    C  21           H4*        C  21  -0.099   4.286  -9.722
  222    H3*    C  21           H3*        C  21  -0.540   3.626  -6.841
  223    H2*    C  21           H2*        C  21   1.573   4.584  -6.237
  224   2HO*    C  21          2HO*        C  21   2.267   5.237  -8.869
  225    H1*    C  21           H1*        C  21   1.412   6.833  -7.885
  226   1H4     C  21          H41         C  21  -2.462   8.346  -2.771
  227   2H4     C  21          H42         C  21  -0.830   8.618  -2.179
  228    H5     C  21           H5         C  21  -2.922   7.343  -4.929
  229    H6     C  21           H6         C  21  -1.910   6.394  -6.945
  230   1H5*    U  22          1H5*        U  22   1.454   1.312  -4.267
  231   2H5*    U  22          2H5*        U  22   1.014   2.972  -4.709
  232    H4*    U  22           H4*        U  22   3.898   2.262  -4.665
  233    H3*    U  22           H3*        U  22   2.247   2.364  -2.160
  234    H2*    U  22           H2*        U  22   3.979   3.657  -1.095
  235   2HO*    U  22          2HO*        U  22   5.820   2.653  -1.906
  236    H1*    U  22           H1*        U  22   4.365   5.402  -3.229
  237    H3     U  22           H3         U  22   2.092   7.939  -0.291
  238    H5     U  22           H5         U  22  -0.838   5.466  -1.998
  239    H6     U  22           H6         U  22   0.929   4.254  -3.088
  240   1H5*    G  23          1H5*        G  23   4.692   1.701  -0.029
  241   2H5*    G  23          2H5*        G  23   4.361   0.426   1.159
  242    H4*    G  23           H4*        G  23   4.368   2.799   2.014
  243    H3*    G  23           H3*        G  23   2.094   0.909   2.541
  244    H2*    G  23           H2*        G  23   0.956   2.650   3.748
  245   2HO*    G  23          2HO*        G  23   3.369   3.417   4.341
  246    H1*    G  23           H1*        G  23   1.543   4.691   1.913
  247    H8     G  23           H8         G  23   0.846   2.031  -0.413
  248    H1     G  23           H1         G  23  -4.486   3.877   2.636
  249   1H2     G  23          H21         G  23  -2.337   5.438   4.846
  250   2H2     G  23          H22         G  23  -3.989   5.067   4.400
  251   1H5*    C  24          1H5*        C  24   1.702  -2.425   4.681
  252   2H5*    C  24          2H5*        C  24   0.169  -1.697   4.162
  253    H4*    C  24           H4*        C  24   1.623  -1.454   6.757
  254    H3*    C  24           H3*        C  24  -1.167  -2.194   5.958
  255    H2*    C  24           H2*        C  24  -2.032  -1.165   7.955
  256   2HO*    C  24          2HO*        C  24   0.721  -0.876   8.681
  257    H1*    C  24           H1*        C  24  -0.543   1.165   7.759
  258   1H4     C  24          H41         C  24  -5.023   1.925   3.007
  259   2H4     C  24          H42         C  24  -5.914   2.226   4.489
  260    H5     C  24           H5         C  24  -2.745   1.109   2.990
  261    H6     C  24           H6         C  24  -0.861   0.427   4.379
  262   1H5*    U  25          1H5*        U  25  -2.522  -3.383   8.455
  263   2H5*    U  25          2H5*        U  25  -2.306  -5.118   8.753
  264    H4*    U  25           H4*        U  25  -4.584  -4.825   8.949
  265    H3*    U  25           H3*        U  25  -3.921  -5.892   6.233
  266    H2*    U  25           H2*        U  25  -6.225  -5.727   5.578
  267   2HO*    U  25          2HO*        U  25  -7.834  -5.551   7.035
  268    H1*    U  25           H1*        U  25  -6.673  -3.201   6.607
  269    H3     U  25           H3         U  25  -6.354  -2.308   2.218
  270    H5     U  25           H5         U  25  -2.393  -3.107   3.364
  271    H6     U  25           H6         U  25  -3.228  -3.733   5.534
  272   1H5*    U  26          1H5*        U  26  -7.403  -7.970   8.209
  273   2H5*    U  26          2H5*        U  26  -7.346  -9.669   7.700
  274    H4*    U  26           H4*        U  26  -9.562  -8.588   7.436
  275    H3*    U  26           H3*        U  26  -8.198  -9.853   5.083
  276    H2*    U  26           H2*        U  26 -10.034  -9.189   3.673
  277   2HO*    U  26          2HO*        U  26 -11.608  -7.805   5.300
  278    H1*    U  26           H1*        U  26 -10.229  -6.593   4.653
  279    H3     U  26           H3         U  26  -8.273  -6.217   0.566
  280    H5     U  26           H5         U  26  -5.146  -7.177   3.203
  281    H6     U  26           H6         U  26  -6.805  -7.561   4.904
  282   1H5*    U  27          1H5*        U  27 -12.032 -10.637   4.608
  283   2H5*    U  27          2H5*        U  27 -12.342 -12.304   4.085
  284    H4*    U  27           H4*        U  27 -13.219 -10.692   2.497
  285    H3*    U  27           H3*        U  27 -11.059 -12.544   1.571
  286    H2*    U  27           H2*        U  27 -11.017 -11.465  -0.579
  287   2HO*    U  27          2HO*        U  27 -12.911 -10.769  -1.252
  288    H1*    U  27           H1*        U  27 -11.058  -8.859   0.376
  289    H3     U  27           H3         U  27  -6.725  -9.362  -0.803
  290    H5     U  27           H5         U  27  -7.046 -11.409   2.840
  291    H6     U  27           H6         U  27  -9.428 -11.160   2.691
  292   1H5*    U  28          1H5*        U  28 -14.577 -13.472  -1.281
  293   2H5*    U  28          2H5*        U  28 -14.312 -15.173  -1.712
  294    H4*    U  28           H4*        U  28 -14.435 -13.649  -3.653
  295    H3*    U  28           H3*        U  28 -11.912 -15.248  -3.249
  296    H2*    U  28           H2*        U  28 -11.112 -14.320  -5.332
  297   2HO*    U  28          2HO*        U  28 -13.512 -12.851  -5.637
  298    H1*    U  28           H1*        U  28 -11.896 -11.702  -4.716
  299    H3     U  28           H3         U  28  -7.395 -11.636  -4.314
  300    H5     U  28           H5         U  28  -8.736 -13.469  -0.783
  301    H6     U  28           H6         U  28 -10.946 -13.510  -1.737
  302   1H5*    G  29          1H5*        G  29 -12.921 -17.724  -6.658
  303   2H5*    G  29          2H5*        G  29 -12.625 -19.372  -6.072
  304    H4*    G  29           H4*        G  29 -11.129 -18.690  -7.911
  305    H3*    G  29           H3*        G  29  -9.882 -19.443  -5.272
  306    H2*    G  29           H2*        G  29  -7.737 -19.013  -6.213
  307   2HO*    G  29          2HO*        G  29  -7.558 -18.789  -8.552
  308    H1*    G  29           H1*        G  29  -8.647 -16.910  -7.978
  309    H8     G  29           H8         G  29  -9.616 -16.100  -4.500
  310    H1     G  29           H1         G  29  -3.450 -14.856  -5.758
  311   1H2     G  29          H21         G  29  -3.972 -16.704  -8.636
  312   2H2     G  29          H22         G  29  -2.857 -15.775  -7.659
  313   1H5*    C  30          1H5*        C  30  -8.012 -21.252  -8.416
  314   2H5*    C  30          2H5*        C  30  -7.637 -22.967  -8.158
  315    H4*    C  30           H4*        C  30  -5.670 -21.853  -8.917
  316    H3*    C  30           H3*        C  30  -5.557 -22.692  -6.030
  317    H2*    C  30           H2*        C  30  -3.332 -21.790  -5.905
  318   2HO*    C  30          2HO*        C  30  -3.297 -22.460  -8.469
  319    H1*    C  30           H1*        C  30  -3.895 -19.477  -7.425
  320   1H4     C  30          H41         C  30  -5.895 -18.235  -1.253
  321   2H4     C  30          H42         C  30  -4.371 -17.392  -1.468
  322    H5     C  30           H5         C  30  -6.841 -19.684  -2.942
  323    H6     C  30           H6         C  30  -6.530 -20.616  -5.171
  324   1H5*    U  31          1H5*        U  31  -2.063 -23.994  -8.005
  325   2H5*    U  31          2H5*        U  31  -1.813 -25.726  -7.711
  326    H4*    U  31           H4*        U  31   0.259 -24.606  -7.390
  327    H3*    U  31           H3*        U  31  -0.992 -25.567  -4.830
  328    H2*    U  31           H2*        U  31   0.902 -24.702  -3.632
  329   2HO*    U  31          2HO*        U  31   2.020 -24.537  -6.244
  330    H1*    U  31           H1*        U  31   1.070 -22.307  -5.109
  331    H3     U  31           H3         U  31  -0.291 -20.929  -1.030
  332    H5     U  31           H5         U  31  -3.733 -22.585  -2.776
  333    H6     U  31           H6         U  31  -2.349 -23.363  -4.584
  334    H3T    U  31           H3T        U  31   1.171 -26.377  -6.434
  Start of MODEL   29
    1   1H5*    A   1          1H5*        A   1   0.601 -12.340   6.906
    2   2H5*    A   1          2H5*        A   1  -0.375 -13.779   7.249
    3    H4*    A   1           H4*        A   1   2.614 -13.878   7.383
    4    H3*    A   1           H3*        A   1   1.001 -13.874   4.854
    5    H2*    A   1           H2*        A   1   2.342 -15.697   4.017
    6   2HO*    A   1          2HO*        A   1   4.340 -15.916   4.716
    7    H1*    A   1           H1*        A   1   2.241 -17.203   6.348
    8    H8     A   1           H8         A   1  -1.103 -15.835   6.512
    9   1H6     A   1          H61         A   1  -2.837 -19.670   1.971
   10   2H6     A   1          H62         A   1  -3.395 -18.586   3.225
   11    H2     A   1           H2         A   1   1.645 -19.638   2.131
   12    H5T    A   1           H5T        A   1   1.692 -13.104   9.017
   13   1H5*    G   2          1H5*        G   2   4.837 -13.674   2.821
   14   2H5*    G   2          2H5*        G   2   4.709 -12.072   2.069
   15    H4*    G   2           H4*        G   2   5.378 -13.713   0.438
   16    H3*    G   2           H3*        G   2   2.647 -12.520   0.038
   17    H2*    G   2           H2*        G   2   2.392 -13.871  -1.937
   18   2HO*    G   2          2HO*        G   2   4.565 -15.315  -2.106
   19    H1*    G   2           H1*        G   2   3.458 -16.208  -0.806
   20    H8     G   2           H8         G   2   1.532 -15.088   2.018
   21    H1     G   2           H1         G   2  -2.283 -16.960  -2.785
   22   1H2     G   2          H21         G   2   0.568 -16.756  -4.735
   23   2H2     G   2          H22         G   2  -1.142 -17.114  -4.653
   24   1H5*    U   3          1H5*        U   3   4.836 -11.398  -3.817
   25   2H5*    U   3          2H5*        U   3   4.150  -9.808  -4.205
   26    H4*    U   3           H4*        U   3   3.946 -11.391  -6.055
   27    H3*    U   3           H3*        U   3   1.371 -10.391  -4.849
   28    H2*    U   3           H2*        U   3   0.215 -11.629  -6.577
   29   2HO*    U   3          2HO*        U   3   1.315 -11.639  -8.421
   30    H1*    U   3           H1*        U   3   1.738 -13.943  -6.228
   31    H3     U   3           H3         U   3  -2.261 -14.957  -4.359
   32    H5     U   3           H5         U   3  -0.334 -12.569  -1.492
   33    H6     U   3           H6         U   3   1.393 -12.147  -3.114
   34   1H5*    A   4          1H5*        A   4   1.559  -8.842  -9.293
   35   2H5*    A   4          2H5*        A   4   0.681  -7.307  -9.162
   36    H4*    A   4           H4*        A   4  -0.062  -8.769 -11.019
   37    H3*    A   4           H3*        A   4  -2.050  -7.873  -8.956
   38    H2*    A   4           H2*        A   4  -3.769  -9.084 -10.180
   39   2HO*    A   4          2HO*        A   4  -3.365  -9.955 -12.166
   40    H1*    A   4           H1*        A   4  -2.338 -11.425 -10.262
   41    H8     A   4           H8         A   4  -0.923 -10.005  -7.221
   42   1H6     A   4          H61         A   4  -6.021 -11.601  -4.120
   43   2H6     A   4          H62         A   4  -4.364 -11.057  -3.985
   44    H2     A   4           H2         A   4  -6.893 -11.977  -8.512
   45   1H5*    G   5          1H5*        G   5  -3.969  -5.487 -12.088
   46   2H5*    G   5          2H5*        G   5  -4.347  -3.964 -11.262
   47    H4*    G   5           H4*        G   5  -6.323  -5.257 -12.030
   48    H3*    G   5           H3*        G   5  -6.093  -4.564  -9.105
   49    H2*    G   5           H2*        G   5  -8.234  -5.630  -8.775
   50   2HO*    G   5          2HO*        G   5  -9.484  -6.286 -10.554
   51    H1*    G   5           H1*        G   5  -7.648  -7.865 -10.374
   52    H8     G   5           H8         G   5  -4.487  -7.338  -8.611
   53    H1     G   5           H1         G   5  -9.127  -9.517  -4.751
   54   1H2     G   5          H21         G   5 -11.258  -8.675  -7.321
   55   2H2     G   5          H22         G   5 -11.070  -9.336  -5.712
   56   1H5*    A   6          1H5*        A   6  -9.796  -4.476 -10.066
   57   2H5*    A   6          2H5*        A   6 -10.525  -2.873  -9.876
   58    H4*    A   6           H4*        A   6 -11.873  -4.757  -8.970
   59    H3*    A   6           H3*        A   6 -11.779  -2.259  -7.936
   60    H2*    A   6           H2*        A   6 -10.078  -2.681  -6.268
   61   2HO*    A   6          2HO*        A   6 -12.580  -3.496  -5.152
   62    H1*    A   6           H1*        A   6 -11.418  -5.400  -5.741
   63    H8     A   6           H8         A   6  -7.813  -4.599  -6.757
   64   1H6     A   6          H61         A   6  -6.235  -6.364  -1.034
   65   2H6     A   6          H62         A   6  -5.649  -5.880  -2.614
   66    H2     A   6           H2         A   6 -10.727  -6.372  -1.314
   67   1H5*    A   7          1H5*        A   7 -14.423  -4.202  -4.672
   68   2H5*    A   7          2H5*        A   7 -15.758  -3.053  -4.465
   69    H4*    A   7           H4*        A   7 -14.944  -3.423  -2.314
   70    H3*    A   7           H3*        A   7 -13.915  -0.803  -3.367
   71    H2*    A   7           H2*        A   7 -12.534  -0.554  -1.468
   72   2HO*    A   7          2HO*        A   7 -13.943  -2.503   0.005
   73    H1*    A   7           H1*        A   7 -12.466  -3.434  -0.834
   74    H8     A   7           H8         A   7 -10.750  -2.091  -3.974
   75   1H6     A   7          H61         A   7  -5.589  -2.043  -0.544
   76   2H6     A   7          H62         A   7  -6.240  -1.831  -2.156
   77    H2     A   7           H2         A   7  -9.044  -2.986   2.146
   78   1H5*    A   8          1H5*        A   8 -16.021   2.587   0.130
   79   2H5*    A   8          2H5*        A   8 -14.329   2.706  -0.392
   80    H4*    A   8           H4*        A   8 -15.477   1.917   2.235
   81    H3*    A   8           H3*        A   8 -13.256   3.728   1.352
   82    H2*    A   8           H2*        A   8 -12.049   3.239   3.376
   83   2HO*    A   8          2HO*        A   8 -14.216   1.616   4.245
   84    H1*    A   8           H1*        A   8 -12.475   0.493   3.322
   85    H8     A   8           H8         A   8 -12.016   2.085  -0.131
   86   1H6     A   8          H61         A   8  -6.025   0.668   0.551
   87   2H6     A   8          H62         A   8  -7.236   1.280  -0.553
   88    H2     A   8           H2         A   8  -8.117  -0.220   4.417
   89   1H5*    C   9          1H5*        C   9 -13.879   5.746   6.389
   90   2H5*    C   9          2H5*        C   9 -12.931   6.886   5.414
   91    H4*    C   9           H4*        C   9 -12.029   5.229   7.478
   92    H3*    C   9           H3*        C   9 -10.666   7.088   5.573
   93    H2*    C   9           H2*        C   9  -8.533   6.095   6.057
   94   2HO*    C   9          2HO*        C   9  -9.878   4.553   8.054
   95    H1*    C   9           H1*        C   9  -9.374   3.448   5.965
   96   1H4     C   9          H41         C   9  -9.195   5.305  -0.368
   97   2H4     C   9          H42         C   9  -7.686   4.462  -0.043
   98    H5     C   9           H5         C   9 -10.824   5.788   1.376
   99    H6     C   9           H6         C   9 -11.323   5.552   3.748
  100   1H5*    A  10          1H5*        A  10  -7.197   9.775   8.202
  101   2H5*    A  10          2H5*        A  10  -7.535   9.699   6.462
  102    H4*    A  10           H4*        A  10  -5.610   8.096   8.101
  103    H3*    A  10           H3*        A  10  -5.351   9.874   5.701
  104    H2*    A  10           H2*        A  10  -3.598   8.461   4.842
  105   2HO*    A  10          2HO*        A  10  -2.357   7.697   6.423
  106    H1*    A  10           H1*        A  10  -4.875   6.045   5.394
  107    H8     A  10           H8         A  10  -7.807   7.882   4.368
  108   1H6     A  10          H61         A  10  -5.924   7.494  -1.517
  109   2H6     A  10          H62         A  10  -7.268   7.870  -0.462
  110    H2     A  10           H2         A  10  -2.476   6.376   1.122
  111   1H5*    A  11          1H5*        A  11  -2.079  13.013   5.403
  112   2H5*    A  11          2H5*        A  11  -1.866  11.452   4.587
  113    H4*    A  11           H4*        A  11   0.065  12.900   6.383
  114    H3*    A  11           H3*        A  11   0.003  13.329   3.797
  115    H2*    A  11           H2*        A  11  -0.095  11.067   2.982
  116   2HO*    A  11          2HO*        A  11   2.685  11.543   3.441
  117    H1*    A  11           H1*        A  11   2.008  10.064   4.922
  118    H8     A  11           H8         A  11  -1.335   9.073   5.930
  119   1H6     A  11          H61         A  11  -0.884   4.112   2.256
  120   2H6     A  11          H62         A  11  -1.791   4.864   3.548
  121    H2     A  11           H2         A  11   2.445   6.931   1.206
  122   1H5*    G  12          1H5*        G  12   4.409  12.149   3.354
  123   2H5*    G  12          2H5*        G  12   5.080  13.762   3.046
  124    H4*    G  12           H4*        G  12   6.036  12.463   1.397
  125    H3*    G  12           H3*        G  12   3.691  13.960   0.286
  126    H2*    G  12           H2*        G  12   3.923  12.841  -1.810
  127   2HO*    G  12          2HO*        G  12   6.512  12.441  -0.834
  128    H1*    G  12           H1*        G  12   4.547  10.310  -0.789
  129    H8     G  12           H8         G  12   1.768  12.134   1.061
  130    H1     G  12           H1         G  12  -0.127   8.592  -3.941
  131   1H2     G  12          H21         G  12   3.250   8.255  -4.601
  132   2H2     G  12          H22         G  12   1.609   7.871  -5.068
  133   1H5*    G  13          1H5*        G  13   7.206  13.857  -2.503
  134   2H5*    G  13          2H5*        G  13   7.442  15.569  -2.903
  135    H4*    G  13           H4*        G  13   7.664  14.355  -4.910
  136    H3*    G  13           H3*        G  13   5.099  15.889  -4.735
  137    H2*    G  13           H2*        G  13   4.438  15.010  -6.895
  138   2HO*    G  13          2HO*        G  13   7.131  14.098  -6.905
  139    H1*    G  13           H1*        G  13   4.960  12.386  -6.260
  140    H8     G  13           H8         G  13   4.084  14.360  -3.148
  141    H1     G  13           H1         G  13  -0.938  11.869  -6.261
  142   1H2     G  13          H21         G  13   1.356  11.080  -8.727
  143   2H2     G  13          H22         G  13  -0.306  11.031  -8.186
  144   1H5*    C  14          1H5*        C  14   6.170  17.929  -8.674
  145   2H5*    C  14          2H5*        C  14   5.794  19.569  -8.114
  146    H4*    C  14           H4*        C  14   4.499  18.853 -10.096
  147    H3*    C  14           H3*        C  14   2.927  19.568  -7.615
  148    H2*    C  14           H2*        C  14   0.953  19.323  -8.995
  149   2HO*    C  14          2HO*        C  14   1.310  19.998 -11.002
  150    H1*    C  14           H1*        C  14   1.875  16.941 -10.195
  151   1H4     C  14          H41         C  14  -0.537  15.123  -4.347
  152   2H4     C  14          H42         C  14  -1.960  15.405  -5.336
  153    H5     C  14           H5         C  14   1.698  15.662  -5.099
  154    H6     C  14           H6         C  14   3.025  16.545  -6.947
  155   1H5*    U  15          1H5*        U  15   0.751  22.630  -9.845
  156   2H5*    U  15          2H5*        U  15   0.657  23.832  -8.544
  157    H4*    U  15           H4*        U  15  -1.527  22.883  -9.332
  158    H3*    U  15           H3*        U  15  -0.783  22.823  -6.418
  159    H2*    U  15           H2*        U  15  -2.952  21.819  -5.975
  160   2HO*    U  15          2HO*        U  15  -4.275  22.787  -7.494
  161    H1*    U  15           H1*        U  15  -2.640  19.858  -7.872
  162    H3     U  15           H3         U  15  -1.519  18.128  -3.756
  163    H5     U  15           H5         U  15   2.039  19.603  -5.422
  164    H6     U  15           H6         U  15   0.715  20.641  -7.143
  165   1H5*    U  16          1H5*        U  16  -4.143  26.875  -5.012
  166   2H5*    U  16          2H5*        U  16  -4.067  25.663  -3.718
  167    H4*    U  16           H4*        U  16  -6.347  26.347  -4.088
  168    H3*    U  16           H3*        U  16  -5.832  23.819  -3.681
  169    H2*    U  16           H2*        U  16  -5.167  23.258  -5.957
  170   2HO*    U  16          2HO*        U  16  -6.615  21.729  -6.288
  171    H1*    U  16           H1*        U  16  -7.681  24.644  -7.015
  172    H3     U  16           H3         U  16  -6.065  23.382 -11.063
  173    H5     U  16           H5         U  16  -3.050  25.814  -9.434
  174    H6     U  16           H6         U  16  -4.302  25.837  -7.369
  175   1H5*    C  17          1H5*        C  17  -8.927  21.652  -4.463
  176   2H5*    C  17          2H5*        C  17  -9.612  21.093  -2.925
  177    H4*    C  17           H4*        C  17  -8.518  19.370  -4.485
  178    H3*    C  17           H3*        C  17  -8.797  19.184  -1.754
  179    H2*    C  17           H2*        C  17  -6.609  20.109  -1.238
  180   2HO*    C  17          2HO*        C  17  -5.981  17.384  -1.823
  181    H1*    C  17           H1*        C  17  -5.589  18.455  -3.636
  182   1H4     C  17          H41         C  17  -0.870  22.957  -2.941
  183   2H4     C  17          H42         C  17  -0.196  21.530  -2.168
  184    H5     C  17           H5         C  17  -3.162  23.102  -3.674
  185    H6     C  17           H6         C  17  -5.267  21.889  -3.877
  186   1H5*    G  18          1H5*        G  18 -10.475  18.481  -2.944
  187   2H5*    G  18          2H5*        G  18 -11.751  17.918  -1.849
  188    H4*    G  18           H4*        G  18 -13.081  17.399  -3.539
  189    H3*    G  18           H3*        G  18 -10.797  15.761  -4.527
  190    H2*    G  18           H2*        G  18 -11.379  16.077  -6.771
  191   2HO*    G  18          2HO*        G  18 -13.395  15.602  -7.368
  192    H1*    G  18           H1*        G  18 -13.372  18.241  -6.132
  193    H8     G  18           H8         G  18 -13.250  19.277  -8.470
  194    H1     G  18           H1         G  18  -6.834  19.433  -8.227
  195   1H2     G  18          H21         G  18  -7.203  17.654  -5.290
  196   2H2     G  18          H22         G  18  -6.116  18.392  -6.445
  197   1H5*    G  19          1H5*        G  19  -9.296  12.674  -3.879
  198   2H5*    G  19          2H5*        G  19  -9.885  14.336  -4.050
  199    H4*    G  19           H4*        G  19 -10.693  12.902  -6.348
  200    H3*    G  19           H3*        G  19  -8.003  12.038  -5.501
  201    H2*    G  19           H2*        G  19  -6.948  12.710  -7.535
  202   2HO*    G  19          2HO*        G  19  -9.537  12.393  -8.464
  203    H1*    G  19           H1*        G  19  -8.241  15.099  -7.951
  204    H8     G  19           H8         G  19  -7.871  14.797  -4.247
  205    H1     G  19           H1         G  19  -2.546  16.793  -7.203
  206   1H2     G  19          H21         G  19  -4.149  15.871 -10.109
  207   2H2     G  19          H22         G  19  -2.713  16.538  -9.347
  208   1H5*    C  20          1H5*        C  20  -8.733  10.413  -9.112
  209   2H5*    C  20          2H5*        C  20  -8.707   8.641  -9.213
  210    H4*    C  20           H4*        C  20  -7.403   9.475 -10.997
  211    H3*    C  20           H3*        C  20  -5.872   8.137  -8.819
  212    H2*    C  20           H2*        C  20  -3.765   8.756  -9.793
  213   2HO*    C  20          2HO*        C  20  -3.830   9.897 -11.880
  214    H1*    C  20           H1*        C  20  -4.402  11.376 -10.371
  215   1H4     C  20          H41         C  20  -3.805  11.548  -3.837
  216   2H4     C  20          H42         C  20  -2.175  11.764  -4.425
  217    H5     C  20           H5         C  20  -5.661  11.049  -5.239
  218    H6     C  20           H6         C  20  -6.389  10.615  -7.501
  219   1H5*    C  21          1H5*        C  21  -3.482   7.119 -11.414
  220   2H5*    C  21          2H5*        C  21  -3.646   5.396 -11.808
  221    H4*    C  21           H4*        C  21  -1.376   5.659 -11.466
  222    H3*    C  21           H3*        C  21  -2.652   4.541  -8.990
  223    H2*    C  21           H2*        C  21  -0.528   4.598  -7.872
  224   2HO*    C  21          2HO*        C  21   0.539   5.222 -10.451
  225    H1*    C  21           H1*        C  21   0.267   7.103  -8.870
  226   1H4     C  21          H41         C  21  -3.818   8.490  -3.885
  227   2H4     C  21          H42         C  21  -2.257   8.224  -3.127
  228    H5     C  21           H5         C  21  -4.220   8.091  -6.239
  229    H6     C  21           H6         C  21  -3.209   7.386  -8.344
  230   1H5*    U  22          1H5*        U  22  -1.347   0.312  -7.833
  231   2H5*    U  22          2H5*        U  22  -2.227   1.102  -6.510
  232    H4*    U  22           H4*        U  22   0.658   1.013  -7.105
  233    H3*    U  22           H3*        U  22  -1.011   1.017  -4.616
  234    H2*    U  22           H2*        U  22   0.778   2.067  -3.401
  235   2HO*    U  22          2HO*        U  22   2.327   1.636  -5.769
  236    H1*    U  22           H1*        U  22   1.419   3.943  -5.356
  237    H3     U  22           H3         U  22  -0.761   6.134  -1.993
  238    H5     U  22           H5         U  22  -3.768   4.683  -4.542
  239    H6     U  22           H6         U  22  -2.073   3.419  -5.694
  240   1H5*    G  23          1H5*        G  23   2.432   0.904  -2.242
  241   2H5*    G  23          2H5*        G  23   2.136  -0.675  -1.488
  242    H4*    G  23           H4*        G  23   2.190   1.222   0.104
  243    H3*    G  23           H3*        G  23  -0.261  -0.510  -0.068
  244    H2*    G  23           H2*        G  23  -1.331   0.840   1.571
  245   2HO*    G  23          2HO*        G  23   0.744   2.496   2.228
  246    H1*    G  23           H1*        G  23  -0.118   3.309   0.768
  247    H8     G  23           H8         G  23  -1.510   2.149  -2.336
  248    H1     G  23           H1         G  23  -6.116   3.814   1.815
  249   1H2     G  23          H21         G  23  -3.625   3.683   4.186
  250   2H2     G  23          H22         G  23  -5.315   3.968   3.831
  251   1H5*    C  24          1H5*        C  24  -1.635  -1.607   4.157
  252   2H5*    C  24          2H5*        C  24  -1.348  -0.011   3.443
  253    H4*    C  24           H4*        C  24   0.261   0.008   5.669
  254    H3*    C  24           H3*        C  24  -2.144  -1.656   6.340
  255    H2*    C  24           H2*        C  24  -2.465  -0.395   8.354
  256   2HO*    C  24          2HO*        C  24   0.182  -0.132   8.165
  257    H1*    C  24           H1*        C  24  -1.892   2.120   7.237
  258   1H4     C  24          H41         C  24  -8.139   1.167   5.500
  259   2H4     C  24          H42         C  24  -8.232   1.496   7.220
  260    H5     C  24           H5         C  24  -6.037   0.837   4.340
  261    H6     C  24           H6         C  24  -3.612   0.762   4.590
  262   1H5*    U  25          1H5*        U  25  -3.016  -2.649   8.951
  263   2H5*    U  25          2H5*        U  25  -2.754  -4.402   9.042
  264    H4*    U  25           H4*        U  25  -5.113  -3.879   8.882
  265    H3*    U  25           H3*        U  25  -3.950  -5.318   6.500
  266    H2*    U  25           H2*        U  25  -6.174  -5.391   5.589
  267   2HO*    U  25          2HO*        U  25  -7.614  -5.741   7.146
  268    H1*    U  25           H1*        U  25  -6.805  -2.744   6.306
  269    H3     U  25           H3         U  25  -6.540  -2.396   1.822
  270    H5     U  25           H5         U  25  -2.582  -3.116   2.981
  271    H6     U  25           H6         U  25  -3.367  -3.407   5.241
  272   1H5*    U  26          1H5*        U  26  -7.614  -7.490   8.126
  273   2H5*    U  26          2H5*        U  26  -7.337  -9.191   7.705
  274    H4*    U  26           H4*        U  26  -9.522  -8.330   6.958
  275    H3*    U  26           H3*        U  26  -7.629  -9.311   4.821
  276    H2*    U  26           H2*        U  26  -9.406  -8.919   3.241
  277   2HO*    U  26          2HO*        U  26 -11.283  -7.946   4.982
  278    H1*    U  26           H1*        U  26 -10.194  -6.461   4.410
  279    H3     U  26           H3         U  26  -8.519  -5.289   0.367
  280    H5     U  26           H5         U  26  -5.139  -6.101   2.726
  281    H6     U  26           H6         U  26  -6.621  -6.940   4.424
  282   1H5*    U  27          1H5*        U  27 -11.436 -10.476   4.160
  283   2H5*    U  27          2H5*        U  27 -11.537 -12.244   4.052
  284    H4*    U  27           H4*        U  27 -12.866 -11.315   2.316
  285    H3*    U  27           H3*        U  27 -10.318 -12.546   1.276
  286    H2*    U  27           H2*        U  27 -11.099 -12.030  -0.950
  287   2HO*    U  27          2HO*        U  27 -13.190 -11.760  -1.350
  288    H1*    U  27           H1*        U  27 -11.965  -9.437  -0.286
  289    H3     U  27           H3         U  27  -8.303  -8.843  -2.869
  290    H5     U  27           H5         U  27  -6.783  -9.804   0.929
  291    H6     U  27           H6         U  27  -9.039 -10.298   1.612
  292   1H5*    U  28          1H5*        U  28 -13.789 -14.555  -0.880
  293   2H5*    U  28          2H5*        U  28 -13.244 -16.238  -1.022
  294    H4*    U  28           H4*        U  28 -14.035 -15.222  -3.143
  295    H3*    U  28           H3*        U  28 -11.245 -16.336  -2.987
  296    H2*    U  28           H2*        U  28 -10.969 -15.769  -5.325
  297   2HO*    U  28          2HO*        U  28 -12.873 -14.640  -6.317
  298    H1*    U  28           H1*        U  28 -11.941 -13.186  -5.039
  299    H3     U  28           H3         U  28  -7.393 -12.843  -5.251
  300    H5     U  28           H5         U  28  -8.264 -13.687  -1.226
  301    H6     U  28           H6         U  28 -10.544 -14.088  -1.881
  302   1H5*    G  29          1H5*        G  29 -12.307 -19.522  -5.673
  303   2H5*    G  29          2H5*        G  29 -11.619 -20.961  -4.896
  304    H4*    G  29           H4*        G  29 -10.573 -20.390  -7.063
  305    H3*    G  29           H3*        G  29  -8.821 -20.459  -4.611
  306    H2*    G  29           H2*        G  29  -6.963 -19.863  -5.979
  307   2HO*    G  29          2HO*        G  29  -8.537 -21.125  -7.896
  308    H1*    G  29           H1*        G  29  -8.516 -18.286  -7.845
  309    H8     G  29           H8         G  29  -9.054 -17.034  -4.401
  310    H1     G  29           H1         G  29  -3.538 -15.028  -6.992
  311   1H2     G  29          H21         G  29  -4.147 -17.419  -9.415
  312   2H2     G  29          H22         G  29  -3.094 -16.158  -8.816
  313   1H5*    C  30          1H5*        C  30  -6.741 -22.821  -7.635
  314   2H5*    C  30          2H5*        C  30  -5.884 -24.089  -6.736
  315    H4*    C  30           H4*        C  30  -4.418 -22.640  -8.112
  316    H3*    C  30           H3*        C  30  -3.942 -22.866  -5.153
  317    H2*    C  30           H2*        C  30  -2.090 -21.350  -5.362
  318   2HO*    C  30          2HO*        C  30  -1.811 -20.640  -7.782
  319    H1*    C  30           H1*        C  30  -3.362 -19.597  -7.166
  320   1H4     C  30          H41         C  30  -5.544 -17.949  -1.159
  321   2H4     C  30          H42         C  30  -4.310 -16.775  -1.583
  322    H5     C  30           H5         C  30  -6.075 -19.855  -2.550
  323    H6     C  30           H6         C  30  -5.523 -21.034  -4.611
  324   1H5*    U  31          1H5*        U  31  -0.283 -22.564  -6.549
  325   2H5*    U  31          2H5*        U  31   0.569 -24.083  -6.212
  326    H4*    U  31           H4*        U  31   1.987 -22.334  -5.519
  327    H3*    U  31           H3*        U  31   0.700 -23.745  -3.199
  328    H2*    U  31           H2*        U  31   1.871 -22.276  -1.700
  329   2HO*    U  31          2HO*        U  31   3.835 -22.332  -3.071
  330    H1*    U  31           H1*        U  31   1.412 -19.944  -3.199
  331    H3     U  31           H3         U  31  -1.226 -19.351   0.415
  332    H5     U  31           H5         U  31  -3.286 -22.167  -1.923
  333    H6     U  31           H6         U  31  -1.358 -22.270  -3.361
  334    H3T    U  31           H3T        U  31   2.544 -24.359  -4.791
  Start of MODEL   30
    1   1H5*    A   1          1H5*        A   1  -2.773 -12.920  10.176
    2   2H5*    A   1          2H5*        A   1  -3.005 -12.052   8.647
    3    H4*    A   1           H4*        A   1  -0.623 -12.535   9.389
    4    H3*    A   1           H3*        A   1  -1.674 -12.990   6.630
    5    H2*    A   1           H2*        A   1   0.403 -14.012   5.958
    6   2HO*    A   1          2HO*        A   1   1.292 -12.679   8.231
    7    H1*    A   1           H1*        A   1   0.657 -15.667   8.150
    8    H8     A   1           H8         A   1  -2.991 -15.578   7.884
    9   1H6     A   1          H61         A   1  -2.616 -19.561   3.158
   10   2H6     A   1          H62         A   1  -3.688 -18.799   4.312
   11    H2     A   1           H2         A   1   1.501 -17.977   3.973
   12    H5T    A   1           H5T        A   1  -3.734 -14.589   9.357
   13   1H5*    G   2          1H5*        G   2   1.840 -10.933   5.572
   14   2H5*    G   2          2H5*        G   2   1.420  -9.714   4.353
   15    H4*    G   2           H4*        G   2   3.100 -11.386   3.613
   16    H3*    G   2           H3*        G   2   0.553 -11.025   2.058
   17    H2*    G   2           H2*        G   2   1.271 -12.733   0.534
   18   2HO*    G   2          2HO*        G   2   3.375 -12.466   0.140
   19    H1*    G   2           H1*        G   2   2.372 -14.432   2.505
   20    H8     G   2           H8         G   2  -0.749 -13.477   4.082
   21    H1     G   2           H1         G   2  -1.721 -17.424  -0.879
   22   1H2     G   2          H21         G   2   1.552 -16.684  -1.730
   23   2H2     G   2          H22         G   2   0.088 -17.562  -2.113
   24   1H5*    U   3          1H5*        U   3   3.472  -9.921  -1.155
   25   2H5*    U   3          2H5*        U   3   2.612  -8.673  -2.078
   26    H4*    U   3           H4*        U   3   3.213 -10.638  -3.426
   27    H3*    U   3           H3*        U   3   0.310  -9.917  -3.142
   28    H2*    U   3           H2*        U   3  -0.265 -11.789  -4.522
   29   2HO*    U   3          2HO*        U   3   1.861 -13.011  -5.232
   30    H1*    U   3           H1*        U   3   1.582 -13.574  -3.375
   31    H3     U   3           H3         U   3  -2.341 -15.266  -1.959
   32    H5     U   3           H5         U   3  -1.889 -11.746   0.285
   33    H6     U   3           H6         U   3   0.047 -11.233  -1.050
   34   1H5*    A   4          1H5*        A   4   1.749 -10.010  -7.750
   35   2H5*    A   4          2H5*        A   4   0.957  -8.497  -8.226
   36    H4*    A   4           H4*        A   4   0.703 -10.126  -9.962
   37    H3*    A   4           H3*        A   4  -1.812  -9.324  -8.552
   38    H2*    A   4           H2*        A   4  -3.069 -10.892  -9.921
   39   2HO*    A   4          2HO*        A   4  -1.297 -12.250 -11.249
   40    H1*    A   4           H1*        A   4  -1.445 -13.024  -9.381
   41    H8     A   4           H8         A   4  -0.758 -11.085  -6.399
   42   1H6     A   4          H61         A   4  -6.183 -12.791  -3.995
   43   2H6     A   4          H62         A   4  -4.630 -12.054  -3.670
   44    H2     A   4           H2         A   4  -6.201 -13.862  -8.359
   45   1H5*    G   5          1H5*        G   5  -3.229  -7.579 -12.305
   46   2H5*    G   5          2H5*        G   5  -3.876  -6.006 -11.799
   47    H4*    G   5           H4*        G   5  -5.567  -7.565 -12.719
   48    H3*    G   5           H3*        G   5  -5.931  -6.477  -9.939
   49    H2*    G   5           H2*        G   5  -8.000  -7.719  -9.789
   50   2HO*    G   5          2HO*        G   5  -8.000  -7.417 -12.404
   51    H1*    G   5           H1*        G   5  -6.942 -10.090 -10.790
   52    H8     G   5           H8         G   5  -4.068  -8.891  -8.916
   53    H1     G   5           H1         G   5  -8.854 -10.702  -5.047
   54   1H2     G   5          H21         G   5 -10.796 -10.615  -7.893
   55   2H2     G   5          H22         G   5 -10.708 -10.916  -6.171
   56   1H5*    A   6          1H5*        A   6  -9.544  -6.799 -11.272
   57   2H5*    A   6          2H5*        A   6 -10.290  -5.197 -11.416
   58    H4*    A   6           H4*        A   6 -11.710  -6.905 -10.317
   59    H3*    A   6           H3*        A   6 -11.691  -4.284  -9.693
   60    H2*    A   6           H2*        A   6 -10.117  -4.374  -7.866
   61   2HO*    A   6          2HO*        A   6 -12.196  -3.702  -7.015
   62    H1*    A   6           H1*        A   6 -11.396  -6.995  -6.924
   63    H8     A   6           H8         A   6  -7.804  -6.228  -8.051
   64   1H6     A   6          H61         A   6  -6.246  -6.906  -2.096
   65   2H6     A   6          H62         A   6  -5.657  -6.653  -3.727
   66    H2     A   6           H2         A   6 -10.720  -7.282  -2.426
   67   1H5*    A   7          1H5*        A   7 -14.554  -5.885  -6.396
   68   2H5*    A   7          2H5*        A   7 -15.914  -4.746  -6.400
   69    H4*    A   7           H4*        A   7 -15.264  -4.914  -4.167
   70    H3*    A   7           H3*        A   7 -14.178  -2.374  -5.358
   71    H2*    A   7           H2*        A   7 -13.012  -1.931  -3.351
   72   2HO*    A   7          2HO*        A   7 -15.294  -2.702  -2.325
   73    H1*    A   7           H1*        A   7 -12.937  -4.754  -2.501
   74    H8     A   7           H8         A   7 -10.958  -3.679  -5.564
   75   1H6     A   7          H61         A   7  -6.172  -3.022  -1.685
   76   2H6     A   7          H62         A   7  -6.665  -3.033  -3.364
   77    H2     A   7           H2         A   7  -9.854  -3.771   0.757
   78   1H5*    A   8          1H5*        A   8 -16.953   1.012  -2.343
   79   2H5*    A   8          2H5*        A   8 -15.273   1.524  -2.602
   80    H4*    A   8           H4*        A   8 -16.637   0.656  -0.167
   81    H3*    A   8           H3*        A   8 -14.296   2.421  -0.786
   82    H2*    A   8           H2*        A   8 -13.394   2.001   1.411
   83   2HO*    A   8          2HO*        A   8 -14.856   0.349   2.649
   84    H1*    A   8           H1*        A   8 -13.763  -0.744   1.354
   85    H8     A   8           H8         A   8 -13.010   0.595  -2.119
   86   1H6     A   8          H61         A   8  -7.043  -0.321  -0.736
   87   2H6     A   8          H62         A   8  -8.175   0.092  -2.005
   88    H2     A   8           H2         A   8  -9.452  -0.972   2.989
   89   1H5*    C   9          1H5*        C   9 -15.175   5.023   3.244
   90   2H5*    C   9          2H5*        C   9 -14.501   6.368   2.304
   91    H4*    C   9           H4*        C   9 -13.295   5.426   4.446
   92    H3*    C   9           H3*        C   9 -12.053   6.532   1.957
   93    H2*    C   9           H2*        C   9  -9.865   5.899   2.735
   94   2HO*    C   9          2HO*        C   9  -9.551   5.935   4.836
   95    H1*    C   9           H1*        C   9 -10.567   3.350   3.582
   96   1H4     C   9          H41         C   9 -10.511   2.856  -2.992
   97   2H4     C   9          H42         C   9  -8.867   2.504  -2.479
   98    H5     C   9           H5         C   9 -12.241   3.609  -1.459
   99    H6     C   9           H6         C   9 -12.734   4.170   0.861
  100   1H5*    A  10          1H5*        A  10 -10.145   7.632   5.460
  101   2H5*    A  10          2H5*        A  10  -9.399   9.243   5.506
  102    H4*    A  10           H4*        A  10  -7.942   7.186   5.986
  103    H3*    A  10           H3*        A  10  -7.170   9.504   4.263
  104    H2*    A  10           H2*        A  10  -5.139   8.405   3.609
  105   2HO*    A  10          2HO*        A  10  -5.705   6.211   5.304
  106    H1*    A  10           H1*        A  10  -6.245   5.875   3.215
  107    H8     A  10           H8         A  10  -8.968   7.821   1.851
  108   1H6     A  10          H61         A  10  -5.557   8.940  -3.190
  109   2H6     A  10          H62         A  10  -7.163   9.006  -2.500
  110    H2     A  10           H2         A  10  -2.845   7.312  -0.012
  111   1H5*    A  11          1H5*        A  11  -3.599  11.706   4.832
  112   2H5*    A  11          2H5*        A  11  -3.584  10.084   4.112
  113    H4*    A  11           H4*        A  11  -1.710  11.124   6.233
  114    H3*    A  11           H3*        A  11  -1.365  11.819   3.696
  115    H2*    A  11           H2*        A  11  -1.536   9.632   2.687
  116   2HO*    A  11          2HO*        A  11   0.486   9.245   2.011
  117    H1*    A  11           H1*        A  11   0.201   8.443   4.907
  118    H8     A  11           H8         A  11  -3.286   7.315   4.913
  119   1H6     A  11          H61         A  11  -1.611   2.602   1.265
  120   2H6     A  11          H62         A  11  -2.880   3.252   2.278
  121    H2     A  11           H2         A  11   1.768   5.548   1.371
  122   1H5*    G  12          1H5*        G  12   2.968  10.206   4.099
  123   2H5*    G  12          2H5*        G  12   3.821  11.761   4.036
  124    H4*    G  12           H4*        G  12   5.003  10.282   2.642
  125    H3*    G  12           H3*        G  12   3.406  12.300   1.102
  126    H2*    G  12           H2*        G  12   4.161  11.294  -0.962
  127   2HO*    G  12          2HO*        G  12   5.566   9.213   0.149
  128    H1*    G  12           H1*        G  12   3.652   8.687  -0.191
  129    H8     G  12           H8         G  12   1.199  11.159   1.339
  130    H1     G  12           H1         G  12  -0.500   8.831  -4.392
  131   1H2     G  12          H21         G  12   2.680   7.470  -4.451
  132   2H2     G  12          H22         G  12   1.147   7.678  -5.268
  133   1H5*    G  13          1H5*        G  13   6.801  12.228  -0.947
  134   2H5*    G  13          2H5*        G  13   7.372  13.855  -1.367
  135    H4*    G  13           H4*        G  13   7.043  12.600  -3.372
  136    H3*    G  13           H3*        G  13   5.029  14.799  -2.962
  137    H2*    G  13           H2*        G  13   4.054  14.205  -5.087
  138   2HO*    G  13          2HO*        G  13   5.098  12.865  -6.514
  139    H1*    G  13           H1*        G  13   4.118  11.447  -4.621
  140    H8     G  13           H8         G  13   3.268  13.137  -1.397
  141    H1     G  13           H1         G  13  -1.715  12.388  -5.371
  142   1H2     G  13          H21         G  13   0.670  11.554  -7.726
  143   2H2     G  13          H22         G  13  -1.024  11.783  -7.355
  144   1H5*    C  14          1H5*        C  14   6.734  16.379  -7.040
  145   2H5*    C  14          2H5*        C  14   6.908  18.050  -6.469
  146    H4*    C  14           H4*        C  14   5.610  17.920  -8.525
  147    H3*    C  14           H3*        C  14   4.120  18.901  -6.092
  148    H2*    C  14           H2*        C  14   2.233  19.290  -7.545
  149   2HO*    C  14          2HO*        C  14   2.929  18.478  -9.909
  150    H1*    C  14           H1*        C  14   2.532  16.853  -8.937
  151   1H4     C  14          H41         C  14  -0.606  15.354  -3.341
  152   2H4     C  14          H42         C  14  -1.848  16.040  -4.378
  153    H5     C  14           H5         C  14   1.730  15.320  -3.960
  154    H6     C  14           H6         C  14   3.352  15.962  -5.657
  155   1H5*    U  15          1H5*        U  15   2.850  22.459  -7.975
  156   2H5*    U  15          2H5*        U  15   3.102  23.573  -6.616
  157    H4*    U  15           H4*        U  15   0.711  23.120  -7.383
  158    H3*    U  15           H3*        U  15   1.580  23.081  -4.511
  159    H2*    U  15           H2*        U  15  -0.677  22.503  -3.873
  160   2HO*    U  15          2HO*        U  15  -1.181  23.182  -6.576
  161    H1*    U  15           H1*        U  15  -0.944  20.472  -5.715
  162    H3     U  15           H3         U  15  -0.016  18.490  -1.704
  163    H5     U  15           H5         U  15   3.710  19.334  -3.446
  164    H6     U  15           H6         U  15   2.552  20.613  -5.123
  165   1H5*    U  16          1H5*        U  16  -0.854  27.744  -3.234
  166   2H5*    U  16          2H5*        U  16  -1.037  26.633  -1.863
  167    H4*    U  16           H4*        U  16  -3.130  27.676  -2.201
  168    H3*    U  16           H3*        U  16  -3.150  25.077  -1.961
  169    H2*    U  16           H2*        U  16  -2.644  24.475  -4.250
  170   2HO*    U  16          2HO*        U  16  -4.610  23.772  -5.151
  171    H1*    U  16           H1*        U  16  -4.693  26.455  -5.329
  172    H3     U  16           H3         U  16  -2.966  24.843  -9.229
  173    H5     U  16           H5         U  16   0.151  27.020  -7.441
  174    H6     U  16           H6         U  16  -1.215  27.191  -5.461
  175   1H5*    C  17          1H5*        C  17  -6.404  23.486  -2.904
  176   2H5*    C  17          2H5*        C  17  -7.246  23.010  -1.417
  177    H4*    C  17           H4*        C  17  -6.384  21.169  -2.970
  178    H3*    C  17           H3*        C  17  -6.818  20.955  -0.281
  179    H2*    C  17           H2*        C  17  -4.544  21.533   0.370
  180   2HO*    C  17          2HO*        C  17  -4.542  18.726  -0.198
  181    H1*    C  17           H1*        C  17  -3.659  19.764  -1.997
  182   1H4     C  17          H41         C  17   1.673  23.426  -1.012
  183   2H4     C  17          H42         C  17   2.082  21.890  -0.259
  184    H5     C  17           H5         C  17  -0.538  23.981  -1.770
  185    H6     C  17           H6         C  17  -2.796  23.131  -2.109
  186   1H5*    G  18          1H5*        G  18  -8.558  21.101  -1.680
  187   2H5*    G  18          2H5*        G  18  -9.909  20.501  -0.698
  188    H4*    G  18           H4*        G  18 -11.262  20.994  -2.371
  189    H3*    G  18           H3*        G  18  -9.874  18.658  -3.577
  190    H2*    G  18           H2*        G  18 -10.142  19.396  -5.763
  191   2HO*    G  18          2HO*        G  18 -12.607  19.332  -4.928
  192    H1*    G  18           H1*        G  18 -11.180  22.106  -4.946
  193    H8     G  18           H8         G  18 -10.653  23.028  -7.293
  194    H1     G  18           H1         G  18  -4.549  21.114  -6.757
  195   1H2     G  18          H21         G  18  -5.621  19.485  -3.909
  196   2H2     G  18          H22         G  18  -4.295  19.861  -4.987
  197   1H5*    G  19          1H5*        G  19 -10.009  15.019  -3.869
  198   2H5*    G  19          2H5*        G  19  -9.427  16.690  -3.778
  199    H4*    G  19           H4*        G  19 -10.753  15.989  -6.292
  200    H3*    G  19           H3*        G  19  -8.531  14.266  -5.396
  201    H2*    G  19           H2*        G  19  -7.116  14.753  -7.248
  202   2HO*    G  19          2HO*        G  19  -9.581  15.444  -8.398
  203    H1*    G  19           H1*        G  19  -7.648  17.451  -7.548
  204    H8     G  19           H8         G  19  -7.567  16.374  -3.900
  205    H1     G  19           H1         G  19  -1.898  18.116  -6.330
  206   1H2     G  19          H21         G  19  -3.520  18.124  -9.369
  207   2H2     G  19          H22         G  19  -2.017  18.356  -8.493
  208   1H5*    C  20          1H5*        C  20  -9.565  12.509  -9.239
  209   2H5*    C  20          2H5*        C  20  -9.652  10.745  -9.062
  210    H4*    C  20           H4*        C  20  -8.068  11.418 -10.787
  211    H3*    C  20           H3*        C  20  -7.071   9.882  -8.424
  212    H2*    C  20           H2*        C  20  -4.797  10.075  -9.205
  213   2HO*    C  20          2HO*        C  20  -6.057  11.074 -11.561
  214    H1*    C  20           H1*        C  20  -4.892  12.764  -9.785
  215   1H4     C  20          H41         C  20  -5.003  12.734  -3.211
  216   2H4     C  20          H42         C  20  -3.305  12.666  -3.621
  217    H5     C  20           H5         C  20  -6.758  12.585  -4.826
  218    H6     C  20           H6         C  20  -7.287  12.387  -7.179
  219   1H5*    C  21          1H5*        C  21  -4.764   8.521 -11.397
  220   2H5*    C  21          2H5*        C  21  -5.298   6.872 -11.776
  221    H4*    C  21           H4*        C  21  -2.990   6.726 -11.801
  222    H3*    C  21           H3*        C  21  -4.085   5.691  -9.217
  223    H2*    C  21           H2*        C  21  -1.862   5.365  -8.362
  224   2HO*    C  21          2HO*        C  21  -1.237   4.850 -10.781
  225    H1*    C  21           H1*        C  21  -0.835   7.799  -9.219
  226   1H4     C  21          H41         C  21  -4.678   9.333  -4.074
  227   2H4     C  21          H42         C  21  -3.110   8.937  -3.384
  228    H5     C  21           H5         C  21  -5.183   9.053  -6.426
  229    H6     C  21           H6         C  21  -4.284   8.329  -8.587
  230   1H5*    U  22          1H5*        U  22  -2.073   0.823  -8.849
  231   2H5*    U  22          2H5*        U  22  -2.675   1.952  -7.620
  232    H4*    U  22           H4*        U  22   0.128   1.380  -8.482
  233    H3*    U  22           H3*        U  22  -1.303   1.403  -5.846
  234    H2*    U  22           H2*        U  22   0.723   2.120  -4.761
  235   2HO*    U  22          2HO*        U  22   1.913   0.733  -6.548
  236    H1*    U  22           H1*        U  22   1.399   4.045  -6.667
  237    H3     U  22           H3         U  22  -0.059   6.299  -2.985
  238    H5     U  22           H5         U  22  -3.527   5.319  -5.140
  239    H6     U  22           H6         U  22  -2.162   3.935  -6.559
  240   1H5*    G  23          1H5*        G  23   1.477   0.022  -3.828
  241   2H5*    G  23          2H5*        G  23   0.807  -1.360  -2.940
  242    H4*    G  23           H4*        G  23   1.490   0.746  -1.639
  243    H3*    G  23           H3*        G  23  -1.034  -0.810  -1.210
  244    H2*    G  23           H2*        G  23  -1.767   0.800   0.419
  245   2HO*    G  23          2HO*        G  23  -0.054   1.427   1.583
  246    H1*    G  23           H1*        G  23  -1.067   3.059  -1.051
  247    H8     G  23           H8         G  23  -2.189   0.979  -3.780
  248    H1     G  23           H1         G  23  -7.092   2.767  -0.050
  249   1H2     G  23          H21         G  23  -4.649   3.645   2.235
  250   2H2     G  23          H22         G  23  -6.355   3.551   1.858
  251   1H5*    C  24          1H5*        C  24  -2.042  -2.010   2.990
  252   2H5*    C  24          2H5*        C  24  -2.486  -0.489   2.194
  253    H4*    C  24           H4*        C  24  -0.744  -0.072   4.477
  254    H3*    C  24           H3*        C  24  -3.245  -1.659   4.988
  255    H2*    C  24           H2*        C  24  -3.698  -0.269   6.898
  256   2HO*    C  24          2HO*        C  24  -1.306  -0.198   7.383
  257    H1*    C  24           H1*        C  24  -3.039   2.148   5.639
  258   1H4     C  24          H41         C  24  -9.081   0.823   3.412
  259   2H4     C  24          H42         C  24  -9.340   1.495   5.013
  260    H5     C  24           H5         C  24  -6.882   0.300   2.549
  261    H6     C  24           H6         C  24  -4.492   0.318   3.037
  262   1H5*    U  25          1H5*        U  25  -3.512  -3.086   7.683
  263   2H5*    U  25          2H5*        U  25  -3.439  -4.854   7.552
  264    H4*    U  25           H4*        U  25  -5.718  -3.935   7.894
  265    H3*    U  25           H3*        U  25  -5.148  -5.645   5.486
  266    H2*    U  25           H2*        U  25  -7.479  -5.424   4.867
  267   2HO*    U  25          2HO*        U  25  -8.456  -3.723   6.622
  268    H1*    U  25           H1*        U  25  -7.559  -2.678   5.235
  269    H3     U  25           H3         U  25  -7.328  -3.185   0.735
  270    H5     U  25           H5         U  25  -3.371  -3.637   2.065
  271    H6     U  25           H6         U  25  -4.208  -3.618   4.323
  272   1H5*    U  26          1H5*        U  26  -8.631  -7.584   7.087
  273   2H5*    U  26          2H5*        U  26  -8.414  -9.319   6.785
  274    H4*    U  26           H4*        U  26 -10.431  -8.319   5.728
  275    H3*    U  26           H3*        U  26  -8.396  -9.687   3.972
  276    H2*    U  26           H2*        U  26  -9.858  -9.266   2.110
  277   2HO*    U  26          2HO*        U  26 -11.727  -9.494   3.956
  278    H1*    U  26           H1*        U  26 -10.577  -6.655   2.962
  279    H3     U  26           H3         U  26  -8.274  -6.424  -0.995
  280    H5     U  26           H5         U  26  -5.379  -6.399   2.048
  281    H6     U  26           H6         U  26  -7.126  -6.952   3.608
  282   1H5*    U  27          1H5*        U  27 -12.517 -11.542   3.329
  283   2H5*    U  27          2H5*        U  27 -12.160 -13.247   2.994
  284    H4*    U  27           H4*        U  27 -13.651 -12.157   1.338
  285    H3*    U  27           H3*        U  27 -11.086 -13.432   0.431
  286    H2*    U  27           H2*        U  27 -11.642 -12.813  -1.841
  287   2HO*    U  27          2HO*        U  27 -13.787 -12.956  -2.108
  288    H1*    U  27           H1*        U  27 -12.279 -10.185  -1.222
  289    H3     U  27           H3         U  27  -8.131  -9.981  -3.018
  290    H5     U  27           H5         U  27  -7.504 -11.104   0.981
  291    H6     U  27           H6         U  27  -9.883 -11.396   1.186
  292   1H5*    U  28          1H5*        U  28 -14.198 -15.938  -1.837
  293   2H5*    U  28          2H5*        U  28 -13.498 -17.565  -1.736
  294    H4*    U  28           H4*        U  28 -14.028 -16.853  -4.034
  295    H3*    U  28           H3*        U  28 -11.185 -17.562  -3.367
  296    H2*    U  28           H2*        U  28 -10.606 -17.139  -5.682
  297   2HO*    U  28          2HO*        U  28 -12.266 -17.696  -6.956
  298    H1*    U  28           H1*        U  28 -11.843 -14.673  -5.761
  299    H3     U  28           H3         U  28  -7.313 -14.138  -5.121
  300    H5     U  28           H5         U  28  -9.049 -14.283  -1.296
  301    H6     U  28           H6         U  28 -11.105 -14.970  -2.339
  302   1H5*    G  29          1H5*        G  29 -11.294 -20.973  -5.905
  303   2H5*    G  29          2H5*        G  29 -10.540 -22.243  -4.922
  304    H4*    G  29           H4*        G  29  -9.237 -21.554  -6.930
  305    H3*    G  29           H3*        G  29  -7.936 -21.334  -4.217
  306    H2*    G  29           H2*        G  29  -5.959 -20.546  -5.310
  307   2HO*    G  29          2HO*        G  29  -6.815 -20.832  -7.911
  308    H1*    G  29           H1*        G  29  -7.374 -19.104  -7.362
  309    H8     G  29           H8         G  29  -8.814 -17.997  -4.182
  310    H1     G  29           H1         G  29  -3.024 -15.458  -5.276
  311   1H2     G  29          H21         G  29  -2.762 -17.864  -7.744
  312   2H2     G  29          H22         G  29  -2.019 -16.519  -6.906
  313   1H5*    C  30          1H5*        C  30  -4.924 -23.121  -6.728
  314   2H5*    C  30          2H5*        C  30  -4.453 -24.567  -5.814
  315    H4*    C  30           H4*        C  30  -2.519 -23.255  -6.487
  316    H3*    C  30           H3*        C  30  -3.036 -23.555  -3.546
  317    H2*    C  30           H2*        C  30  -1.091 -22.208  -3.087
  318   2HO*    C  30          2HO*        C  30  -0.597 -22.090  -5.891
  319    H1*    C  30           H1*        C  30  -1.653 -20.251  -4.993
  320   1H4     C  30          H41         C  30  -5.830 -19.077  -0.019
  321   2H4     C  30          H42         C  30  -4.439 -18.047   0.266
  322    H5     C  30           H5         C  30  -5.919 -20.701  -1.805
  323    H6     C  30           H6         C  30  -4.703 -21.671  -3.683
  324   1H5*    U  31          1H5*        U  31   1.000 -23.789  -4.148
  325   2H5*    U  31          2H5*        U  31   1.579 -25.367  -3.579
  326    H4*    U  31           H4*        U  31   3.076 -23.716  -2.779
  327    H3*    U  31           H3*        U  31   1.318 -24.855  -0.623
  328    H2*    U  31           H2*        U  31   2.416 -23.433   0.973
  329   2HO*    U  31          2HO*        U  31   4.486 -23.106   0.615
  330    H1*    U  31           H1*        U  31   2.460 -21.159  -0.685
  331    H3     U  31           H3         U  31  -0.569 -19.982   2.434
  332    H5     U  31           H5         U  31  -2.587 -22.803   0.066
  333    H6     U  31           H6         U  31  -0.509 -23.217  -1.076
  334    H3T    U  31           H3T        U  31   2.728 -26.286  -1.033
  Start of MODEL   31
    1   1H5*    A   1          1H5*        A   1  -3.137 -12.599   8.664
    2   2H5*    A   1          2H5*        A   1  -3.905 -14.056   8.008
    3    H4*    A   1           H4*        A   1  -1.153 -13.863   9.225
    4    H3*    A   1           H3*        A   1  -2.044 -13.929   6.364
    5    H2*    A   1           H2*        A   1  -0.221 -15.420   5.831
    6   2HO*    A   1          2HO*        A   1   1.501 -14.842   7.016
    7    H1*    A   1           H1*        A   1  -0.637 -17.140   7.956
    8    H8     A   1           H8         A   1  -4.103 -16.278   7.385
    9   1H6     A   1          H61         A   1  -4.111 -19.852   2.329
   10   2H6     A   1          H62         A   1  -5.107 -18.983   3.474
   11    H2     A   1           H2         A   1   0.150 -19.218   3.581
   12    H5T    A   1           H5T        A   1  -3.067 -14.674  10.423
   13   1H5*    G   2          1H5*        G   2   2.070 -12.662   5.550
   14   2H5*    G   2          2H5*        G   2   1.827 -11.229   4.533
   15    H4*    G   2           H4*        G   2   3.279 -12.949   3.514
   16    H3*    G   2           H3*        G   2   0.766 -12.131   2.076
   17    H2*    G   2           H2*        G   2   1.346 -13.654   0.307
   18   2HO*    G   2          2HO*        G   2   3.692 -13.026   0.589
   19    H1*    G   2           H1*        G   2   2.227 -15.719   2.016
   20    H8     G   2           H8         G   2  -0.759 -14.714   3.771
   21    H1     G   2           H1         G   2  -2.188 -17.602  -1.774
   22   1H2     G   2          H21         G   2   1.143 -17.086  -2.561
   23   2H2     G   2          H22         G   2  -0.411 -17.717  -3.056
   24   1H5*    U   3          1H5*        U   3   4.078 -11.159  -0.916
   25   2H5*    U   3          2H5*        U   3   3.507  -9.633  -1.616
   26    H4*    U   3           H4*        U   3   4.028 -11.247  -3.343
   27    H3*    U   3           H3*        U   3   1.127 -10.480  -3.105
   28    H2*    U   3           H2*        U   3   0.683 -11.891  -5.012
   29   2HO*    U   3          2HO*        U   3   2.551 -12.951  -6.025
   30    H1*    U   3           H1*        U   3   2.269 -14.015  -4.105
   31    H3     U   3           H3         U   3  -1.938 -15.561  -3.541
   32    H5     U   3           H5         U   3  -1.397 -12.847  -0.382
   33    H6     U   3           H6         U   3   0.697 -12.214  -1.385
   34   1H5*    A   4          1H5*        A   4   2.529  -9.167  -7.387
   35   2H5*    A   4          2H5*        A   4   1.687  -7.611  -7.519
   36    H4*    A   4           H4*        A   4   1.435  -9.059  -9.500
   37    H3*    A   4           H3*        A   4  -0.998  -8.113  -8.029
   38    H2*    A   4           H2*        A   4  -2.397  -9.364  -9.569
   39   2HO*    A   4          2HO*        A   4  -0.224 -10.513 -10.896
   40    H1*    A   4           H1*        A   4  -1.012 -11.715  -9.292
   41    H8     A   4           H8         A   4  -0.292 -10.293  -6.018
   42   1H6     A   4          H61         A   4  -6.002 -11.774  -4.168
   43   2H6     A   4          H62         A   4  -4.409 -11.268  -3.652
   44    H2     A   4           H2         A   4  -5.848 -12.148  -8.640
   45   1H5*    G   5          1H5*        G   5  -2.086  -5.808 -11.589
   46   2H5*    G   5          2H5*        G   5  -2.557  -4.233 -10.923
   47    H4*    G   5           H4*        G   5  -4.398  -5.432 -12.039
   48    H3*    G   5           H3*        G   5  -4.714  -4.719  -9.132
   49    H2*    G   5           H2*        G   5  -6.929  -5.695  -9.214
   50   2HO*    G   5          2HO*        G   5  -6.453  -6.166 -11.991
   51    H1*    G   5           H1*        G   5  -6.116  -8.016 -10.511
   52    H8     G   5           H8         G   5  -3.202  -7.351  -8.404
   53    H1     G   5           H1         G   5  -8.268  -9.318  -4.994
   54   1H2     G   5          H21         G   5 -10.072  -8.678  -7.864
   55   2H2     G   5          H22         G   5 -10.085  -9.228  -6.202
   56   1H5*    A   6          1H5*        A   6  -8.185  -4.269 -10.705
   57   2H5*    A   6          2H5*        A   6  -8.818  -2.619 -10.558
   58    H4*    A   6           H4*        A   6 -10.415  -4.401  -9.913
   59    H3*    A   6           H3*        A   6 -10.268  -1.967  -8.755
   60    H2*    A   6           H2*        A   6  -8.852  -2.564  -6.892
   61   2HO*    A   6          2HO*        A   6 -11.052  -1.962  -6.136
   62    H1*    A   6           H1*        A   6 -10.383  -5.210  -6.636
   63    H8     A   6           H8         A   6  -6.659  -4.550  -7.289
   64   1H6     A   6          H61         A   6  -5.716  -6.686  -1.556
   65   2H6     A   6          H62         A   6  -4.953  -6.140  -3.038
   66    H2     A   6           H2         A   6 -10.147  -6.477  -2.253
   67   1H5*    A   7          1H5*        A   7 -13.431  -3.849  -5.998
   68   2H5*    A   7          2H5*        A   7 -14.738  -2.651  -5.928
   69    H4*    A   7           H4*        A   7 -14.309  -3.094  -3.704
   70    H3*    A   7           H3*        A   7 -12.816  -0.595  -4.463
   71    H2*    A   7           H2*        A   7 -11.776  -0.563  -2.341
   72   2HO*    A   7          2HO*        A   7 -14.236  -1.670  -1.641
   73    H1*    A   7           H1*        A   7 -12.144  -3.450  -1.858
   74    H8     A   7           H8         A   7  -9.772  -2.276  -4.594
   75   1H6     A   7          H61         A   7  -5.308  -2.844  -0.340
   76   2H6     A   7          H62         A   7  -5.650  -2.555  -2.031
   77    H2     A   7           H2         A   7  -9.262  -3.382   1.707
   78   1H5*    A   8          1H5*        A   8 -16.111   1.876  -1.052
   79   2H5*    A   8          2H5*        A   8 -14.749   3.014  -1.031
   80    H4*    A   8           H4*        A   8 -15.747   1.533   1.103
   81    H3*    A   8           H3*        A   8 -13.257   3.189   0.775
   82    H2*    A   8           H2*        A   8 -12.474   2.340   2.885
   83   2HO*    A   8          2HO*        A   8 -14.205   0.713   3.826
   84    H1*    A   8           H1*        A   8 -13.303  -0.310   2.436
   85    H8     A   8           H8         A   8 -11.796   1.274  -0.656
   86   1H6     A   8          H61         A   8  -6.337  -0.802   1.402
   87   2H6     A   8          H62         A   8  -7.174  -0.058   0.059
   88    H2     A   8           H2         A   8  -9.379  -1.457   4.630
   89   1H5*    C   9          1H5*        C   9 -14.357   4.438   5.272
   90   2H5*    C   9          2H5*        C   9 -13.784   6.091   4.974
   91    H4*    C   9           H4*        C   9 -12.647   4.734   6.810
   92    H3*    C   9           H3*        C   9 -11.218   6.354   4.743
   93    H2*    C   9           H2*        C   9  -9.089   5.558   5.521
   94   2HO*    C   9          2HO*        C   9  -8.891   5.072   7.581
   95    H1*    C   9           H1*        C   9  -9.814   2.886   5.777
   96   1H4     C   9          H41         C   9  -9.212   3.778  -0.733
   97   2H4     C   9          H42         C   9  -7.698   3.072  -0.187
   98    H5     C   9           H5         C   9 -10.984   4.438   0.790
   99    H6     C   9           H6         C   9 -11.663   4.532   3.128
  100   1H5*    A  10          1H5*        A  10  -9.036   7.328   8.185
  101   2H5*    A  10          2H5*        A  10  -8.512   9.018   8.054
  102    H4*    A  10           H4*        A  10  -6.733   7.172   8.089
  103    H3*    A  10           H3*        A  10  -6.752   9.504   6.208
  104    H2*    A  10           H2*        A  10  -4.809   8.634   5.091
  105   2HO*    A  10          2HO*        A  10  -4.189   6.399   6.225
  106    H1*    A  10           H1*        A  10  -5.659   5.972   5.030
  107    H8     A  10           H8         A  10  -8.837   7.525   4.301
  108   1H6     A  10          H61         A  10  -6.852   8.765  -1.430
  109   2H6     A  10          H62         A  10  -8.249   8.683  -0.380
  110    H2     A  10           H2         A  10  -3.298   7.617   1.055
  111   1H5*    A  11          1H5*        A  11  -3.508  12.243   5.976
  112   2H5*    A  11          2H5*        A  11  -3.199  10.576   5.452
  113    H4*    A  11           H4*        A  11  -1.394  12.312   7.132
  114    H3*    A  11           H3*        A  11  -1.456  12.639   4.520
  115    H2*    A  11           H2*        A  11  -1.362  10.324   3.838
  116   2HO*    A  11          2HO*        A  11   1.118   9.932   3.688
  117    H1*    A  11           H1*        A  11   0.838   9.726   5.864
  118    H8     A  11           H8         A  11  -2.430   8.252   6.646
  119   1H6     A  11          H61         A  11  -0.737   3.209   3.481
  120   2H6     A  11          H62         A  11  -1.905   3.881   4.596
  121    H2     A  11           H2         A  11   2.194   6.479   2.560
  122   1H5*    G  12          1H5*        G  12   2.836  11.573   4.327
  123   2H5*    G  12          2H5*        G  12   3.592  13.168   4.145
  124    H4*    G  12           H4*        G  12   4.737  11.858   2.629
  125    H3*    G  12           H3*        G  12   2.614  13.425   1.203
  126    H2*    G  12           H2*        G  12   3.212  12.343  -0.863
  127   2HO*    G  12          2HO*        G  12   5.085  11.149  -1.056
  128    H1*    G  12           H1*        G  12   3.376   9.778   0.185
  129    H8     G  12           H8         G  12   0.659  11.952   1.748
  130    H1     G  12           H1         G  12  -1.161   8.531  -3.364
  131   1H2     G  12          H21         G  12   2.198   7.764  -3.674
  132   2H2     G  12          H22         G  12   0.575   7.572  -4.299
  133   1H5*    G  13          1H5*        G  13   5.949  12.910  -1.108
  134   2H5*    G  13          2H5*        G  13   6.658  14.499  -1.459
  135    H4*    G  13           H4*        G  13   6.778  13.321  -3.467
  136    H3*    G  13           H3*        G  13   4.487  15.263  -3.511
  137    H2*    G  13           H2*        G  13   3.953  14.518  -5.745
  138   2HO*    G  13          2HO*        G  13   5.534  12.612  -6.373
  139    H1*    G  13           H1*        G  13   4.180  11.803  -5.172
  140    H8     G  13           H8         G  13   2.790  13.716  -2.222
  141    H1     G  13           H1         G  13  -1.588  11.778  -6.495
  142   1H2     G  13          H21         G  13   1.127  10.965  -8.468
  143   2H2     G  13          H22         G  13  -0.613  11.013  -8.296
  144   1H5*    C  14          1H5*        C  14   6.156  16.604  -7.327
  145   2H5*    C  14          2H5*        C  14   6.502  18.294  -6.911
  146    H4*    C  14           H4*        C  14   5.231  18.380  -8.869
  147    H3*    C  14           H3*        C  14   3.474  18.998  -6.497
  148    H2*    C  14           H2*        C  14   1.675  19.374  -8.059
  149   2HO*    C  14          2HO*        C  14   2.094  19.413 -10.304
  150    H1*    C  14           H1*        C  14   2.280  17.120  -9.641
  151   1H4     C  14          H41         C  14  -1.092  14.883  -4.432
  152   2H4     C  14          H42         C  14  -2.307  15.394  -5.596
  153    H5     C  14           H5         C  14   1.271  15.244  -4.785
  154    H6     C  14           H6         C  14   2.944  16.176  -6.290
  155   1H5*    U  15          1H5*        U  15   1.912  22.187  -8.929
  156   2H5*    U  15          2H5*        U  15   1.994  23.502  -7.741
  157    H4*    U  15           H4*        U  15  -0.282  23.054  -8.582
  158    H3*    U  15           H3*        U  15   0.265  22.856  -5.636
  159    H2*    U  15           H2*        U  15  -2.046  22.273  -5.278
  160   2HO*    U  15          2HO*        U  15  -2.364  22.781  -8.076
  161    H1*    U  15           H1*        U  15  -2.165  20.398  -7.312
  162    H3     U  15           H3         U  15  -1.870  17.927  -3.515
  163    H5     U  15           H5         U  15   2.078  19.076  -4.363
  164    H6     U  15           H6         U  15   1.209  20.517  -6.083
  165   1H5*    U  16          1H5*        U  16  -2.724  27.275  -4.608
  166   2H5*    U  16          2H5*        U  16  -2.903  26.165  -3.235
  167    H4*    U  16           H4*        U  16  -5.068  26.890  -3.827
  168    H3*    U  16           H3*        U  16  -4.750  24.310  -3.542
  169    H2*    U  16           H2*        U  16  -3.945  23.777  -5.760
  170   2HO*    U  16          2HO*        U  16  -5.535  22.386  -6.042
  171    H1*    U  16           H1*        U  16  -6.120  25.469  -7.060
  172    H3     U  16           H3         U  16  -3.866  24.082 -10.764
  173    H5     U  16           H5         U  16  -1.197  26.604  -8.722
  174    H6     U  16           H6         U  16  -2.750  26.619  -6.878
  175   1H5*    C  17          1H5*        C  17  -7.776  22.276  -4.705
  176   2H5*    C  17          2H5*        C  17  -8.633  21.745  -3.245
  177    H4*    C  17           H4*        C  17  -7.452  19.991  -4.716
  178    H3*    C  17           H3*        C  17  -8.086  19.757  -2.068
  179    H2*    C  17           H2*        C  17  -5.962  20.619  -1.247
  180   2HO*    C  17          2HO*        C  17  -4.636  18.621  -0.916
  181    H1*    C  17           H1*        C  17  -4.670  18.930  -3.481
  182   1H4     C  17          H41         C  17   0.069  23.244  -2.153
  183   2H4     C  17          H42         C  17   0.586  21.791  -1.305
  184    H5     C  17           H5         C  17  -2.111  23.496  -3.135
  185    H6     C  17           H6         C  17  -4.208  22.364  -3.638
  186   1H5*    G  18          1H5*        G  18  -9.727  19.695  -3.582
  187   2H5*    G  18          2H5*        G  18 -11.061  18.923  -2.703
  188    H4*    G  18           H4*        G  18 -12.326  19.280  -4.480
  189    H3*    G  18           H3*        G  18 -10.630  17.069  -5.512
  190    H2*    G  18           H2*        G  18 -10.791  17.730  -7.731
  191   2HO*    G  18          2HO*        G  18 -13.451  18.515  -7.020
  192    H1*    G  18           H1*        G  18 -12.157  20.337  -7.082
  193    H8     G  18           H8         G  18 -11.548  21.236  -9.418
  194    H1     G  18           H1         G  18  -5.335  20.040  -8.333
  195   1H2     G  18          H21         G  18  -6.448  18.374  -5.524
  196   2H2     G  18          H22         G  18  -5.089  18.868  -6.508
  197   1H5*    G  19          1H5*        G  19 -10.386  13.422  -5.664
  198   2H5*    G  19          2H5*        G  19  -9.971  15.142  -5.564
  199    H4*    G  19           H4*        G  19 -10.974  14.261  -8.173
  200    H3*    G  19           H3*        G  19  -8.692  12.796  -7.014
  201    H2*    G  19           H2*        G  19  -7.147  13.397  -8.720
  202   2HO*    G  19          2HO*        G  19  -9.246  13.177 -10.238
  203    H1*    G  19           H1*        G  19  -7.946  16.018  -9.177
  204    H8     G  19           H8         G  19  -8.084  15.056  -5.501
  205    H1     G  19           H1         G  19  -2.448  17.386  -7.476
  206   1H2     G  19          H21         G  19  -3.771  17.135 -10.646
  207   2H2     G  19          H22         G  19  -2.398  17.566  -9.639
  208   1H5*    C  20          1H5*        C  20  -9.119  10.561 -10.937
  209   2H5*    C  20          2H5*        C  20  -9.078   8.866 -10.414
  210    H4*    C  20           H4*        C  20  -7.383   9.409 -12.113
  211    H3*    C  20           H3*        C  20  -6.554   8.317  -9.454
  212    H2*    C  20           H2*        C  20  -4.228   8.532 -10.060
  213   2HO*    C  20          2HO*        C  20  -3.735   9.339 -12.224
  214    H1*    C  20           H1*        C  20  -4.410  11.107 -11.019
  215   1H4     C  20          H41         C  20  -5.204  11.908  -4.536
  216   2H4     C  20          H42         C  20  -3.472  11.928  -4.774
  217    H5     C  20           H5         C  20  -6.769  11.410  -6.271
  218    H6     C  20           H6         C  20  -7.040  10.863  -8.613
  219   1H5*    C  21          1H5*        C  21  -3.738   6.785 -11.530
  220   2H5*    C  21          2H5*        C  21  -3.903   5.019 -11.554
  221    H4*    C  21           H4*        C  21  -1.669   5.518 -10.958
  222    H3*    C  21           H3*        C  21  -3.295   4.538  -8.623
  223    H2*    C  21           H2*        C  21  -1.339   4.732  -7.242
  224   2HO*    C  21          2HO*        C  21   0.381   5.615  -9.214
  225    H1*    C  21           H1*        C  21  -0.453   7.169  -8.377
  226   1H4     C  21          H41         C  21  -4.934   8.880  -3.864
  227   2H4     C  21          H42         C  21  -3.454   8.633  -2.951
  228    H5     C  21           H5         C  21  -5.125   8.355  -6.223
  229    H6     C  21           H6         C  21  -3.931   7.515  -8.182
  230   1H5*    U  22          1H5*        U  22  -1.561   0.839  -6.293
  231   2H5*    U  22          2H5*        U  22  -2.032   2.534  -6.065
  232    H4*    U  22           H4*        U  22   0.842   1.671  -6.222
  233    H3*    U  22           H3*        U  22  -0.934   1.526  -3.807
  234    H2*    U  22           H2*        U  22   0.834   2.451  -2.463
  235   2HO*    U  22          2HO*        U  22   2.930   2.616  -3.246
  236    H1*    U  22           H1*        U  22   1.584   4.428  -4.294
  237    H3     U  22           H3         U  22  -0.640   6.115  -0.583
  238    H5     U  22           H5         U  22  -3.449   5.709  -3.678
  239    H6     U  22           H6         U  22  -1.802   4.457  -4.906
  240   1H5*    G  23          1H5*        G  23   2.104   0.606  -1.761
  241   2H5*    G  23          2H5*        G  23   1.915  -1.077  -1.232
  242    H4*    G  23           H4*        G  23   2.373   0.355   0.650
  243    H3*    G  23           H3*        G  23  -0.296  -0.991   0.561
  244    H2*    G  23           H2*        G  23  -0.987   0.148   2.565
  245   2HO*    G  23          2HO*        G  23   0.460   1.134   3.894
  246    H1*    G  23           H1*        G  23  -0.080   2.660   1.825
  247    H8     G  23           H8         G  23  -1.067   1.543  -1.458
  248    H1     G  23           H1         G  23  -6.179   2.470   2.305
  249   1H2     G  23          H21         G  23  -3.891   2.481   4.904
  250   2H2     G  23          H22         G  23  -5.563   2.611   4.409
  251   1H5*    C  24          1H5*        C  24  -1.543  -3.249   4.366
  252   2H5*    C  24          2H5*        C  24  -1.860  -1.573   3.877
  253    H4*    C  24           H4*        C  24  -0.169  -1.761   6.237
  254    H3*    C  24           H3*        C  24  -2.826  -3.162   6.362
  255    H2*    C  24           H2*        C  24  -3.210  -2.148   8.512
  256   2HO*    C  24          2HO*        C  24  -1.008  -0.616   8.766
  257    H1*    C  24           H1*        C  24  -2.309   0.396   7.762
  258   1H4     C  24          H41         C  24  -8.359   0.038   5.204
  259   2H4     C  24          H42         C  24  -8.616   0.424   6.897
  260    H5     C  24           H5         C  24  -6.180  -0.501   4.298
  261    H6     C  24           H6         C  24  -3.814  -0.779   4.825
  262   1H5*    U  25          1H5*        U  25  -3.394  -4.488   8.656
  263   2H5*    U  25          2H5*        U  25  -3.461  -6.261   8.669
  264    H4*    U  25           H4*        U  25  -5.675  -5.370   8.868
  265    H3*    U  25           H3*        U  25  -5.095  -6.785   6.283
  266    H2*    U  25           H2*        U  25  -7.367  -6.330   5.579
  267   2HO*    U  25          2HO*        U  25  -7.643  -5.482   8.285
  268    H1*    U  25           H1*        U  25  -7.314  -3.655   6.277
  269    H3     U  25           H3         U  25  -6.684  -3.399   1.819
  270    H5     U  25           H5         U  25  -2.979  -4.702   3.293
  271    H6     U  25           H6         U  25  -3.998  -4.907   5.463
  272   1H5*    U  26          1H5*        U  26  -8.846  -8.522   7.323
  273   2H5*    U  26          2H5*        U  26  -8.749 -10.219   6.817
  274    H4*    U  26           H4*        U  26 -10.550  -8.905   5.717
  275    H3*    U  26           H3*        U  26  -8.466 -10.239   3.994
  276    H2*    U  26           H2*        U  26  -9.677  -9.451   2.075
  277   2HO*    U  26          2HO*        U  26 -11.766  -8.523   2.338
  278    H1*    U  26           H1*        U  26 -10.285  -6.914   3.206
  279    H3     U  26           H3         U  26  -7.608  -6.297  -0.449
  280    H5     U  26           H5         U  26  -5.013  -7.057   2.765
  281    H6     U  26           H6         U  26  -6.938  -7.660   4.076
  282   1H5*    U  27          1H5*        U  27 -12.565 -11.520   2.905
  283   2H5*    U  27          2H5*        U  27 -12.503 -13.165   2.243
  284    H4*    U  27           H4*        U  27 -13.652 -11.507   0.797
  285    H3*    U  27           H3*        U  27 -11.315 -13.067  -0.265
  286    H2*    U  27           H2*        U  27 -11.580 -11.928  -2.385
  287   2HO*    U  27          2HO*        U  27 -13.335 -10.317  -2.507
  288    H1*    U  27           H1*        U  27 -11.737  -9.396  -1.274
  289    H3     U  27           H3         U  27  -7.493  -9.746  -2.835
  290    H5     U  27           H5         U  27  -7.423 -11.664   0.899
  291    H6     U  27           H6         U  27  -9.820 -11.485   0.947
  292   1H5*    U  28          1H5*        U  28 -14.534 -14.473  -3.137
  293   2H5*    U  28          2H5*        U  28 -14.106 -16.175  -3.402
  294    H4*    U  28           H4*        U  28 -14.221 -14.833  -5.471
  295    H3*    U  28           H3*        U  28 -11.620 -16.182  -4.778
  296    H2*    U  28           H2*        U  28 -10.740 -15.354  -6.878
  297   2HO*    U  28          2HO*        U  28 -13.471 -14.930  -7.355
  298    H1*    U  28           H1*        U  28 -11.650 -12.758  -6.474
  299    H3     U  28           H3         U  28  -7.150 -12.871  -5.628
  300    H5     U  28           H5         U  28  -9.033 -13.813  -1.993
  301    H6     U  28           H6         U  28 -11.105 -13.998  -3.203
  302   1H5*    G  29          1H5*        G  29 -11.955 -18.895  -8.021
  303   2H5*    G  29          2H5*        G  29 -11.565 -20.465  -7.292
  304    H4*    G  29           H4*        G  29  -9.897 -19.698  -8.939
  305    H3*    G  29           H3*        G  29  -8.965 -20.145  -6.107
  306    H2*    G  29           H2*        G  29  -6.769 -19.513  -6.788
  307   2HO*    G  29          2HO*        G  29  -6.069 -19.880  -8.801
  308    H1*    G  29           H1*        G  29  -7.665 -17.626  -8.792
  309    H8     G  29           H8         G  29  -9.206 -16.753  -5.550
  310    H1     G  29           H1         G  29  -3.087 -14.883  -6.010
  311   1H2     G  29          H21         G  29  -2.978 -16.933  -8.792
  312   2H2     G  29          H22         G  29  -2.126 -15.830  -7.735
  313   1H5*    C  30          1H5*        C  30  -5.913 -21.867  -8.534
  314   2H5*    C  30          2H5*        C  30  -5.732 -23.507  -7.882
  315    H4*    C  30           H4*        C  30  -3.587 -22.426  -8.022
  316    H3*    C  30           H3*        C  30  -4.573 -22.939  -5.224
  317    H2*    C  30           H2*        C  30  -2.515 -22.004  -4.395
  318   2HO*    C  30          2HO*        C  30  -1.460 -23.019  -6.485
  319    H1*    C  30           H1*        C  30  -2.463 -19.852  -6.210
  320   1H4     C  30          H41         C  30  -6.651 -18.130  -1.404
  321   2H4     C  30          H42         C  30  -5.119 -17.359  -1.027
  322    H5     C  30           H5         C  30  -6.928 -19.663  -3.255
  323    H6     C  30           H6         C  30  -5.800 -20.769  -5.114
  324   1H5*    U  31          1H5*        U  31  -0.387 -24.087  -5.353
  325   2H5*    U  31          2H5*        U  31  -0.380 -25.727  -4.676
  326    H4*    U  31           H4*        U  31   1.311 -24.308  -3.646
  327    H3*    U  31           H3*        U  31  -0.895 -25.300  -1.853
  328    H2*    U  31           H2*        U  31   0.177 -24.191  -0.016
  329   2HO*    U  31          2HO*        U  31   2.345 -23.526  -1.737
  330    H1*    U  31           H1*        U  31   0.889 -21.879  -1.496
  331    H3     U  31           H3         U  31  -2.122 -20.365   1.521
  332    H5     U  31           H5         U  31  -4.432 -22.324  -1.389
  333    H6     U  31           H6         U  31  -2.382 -23.120  -2.369
  334    H3T    U  31           H3T        U  31   0.382 -26.870  -2.466
  Start of MODEL   32
    1   1H5*    A   1          1H5*        A   1  -2.831 -12.706   8.957
    2   2H5*    A   1          2H5*        A   1  -3.106 -14.279   8.186
    3    H4*    A   1           H4*        A   1  -0.470 -13.174   9.144
    4    H3*    A   1           H3*        A   1  -1.666 -13.328   6.402
    5    H2*    A   1           H2*        A   1   0.472 -13.986   5.499
    6   2HO*    A   1          2HO*        A   1   1.465 -12.552   7.366
    7    H1*    A   1           H1*        A   1   1.018 -15.901   7.421
    8    H8     A   1           H8         A   1  -2.568 -16.362   7.320
    9   1H6     A   1          H61         A   1  -1.999 -19.272   1.888
   10   2H6     A   1          H62         A   1  -3.068 -18.932   3.230
   11    H2     A   1           H2         A   1   1.875 -17.186   2.759
   12    H5T    A   1           H5T        A   1  -3.357 -13.925  10.638
   13   1H5*    G   2          1H5*        G   2   1.578 -11.024   5.655
   14   2H5*    G   2          2H5*        G   2   1.232  -9.699   4.527
   15    H4*    G   2           H4*        G   2   2.922 -11.332   3.723
   16    H3*    G   2           H3*        G   2   0.450 -10.823   2.084
   17    H2*    G   2           H2*        G   2   1.282 -12.376   0.447
   18   2HO*    G   2          2HO*        G   2   3.573 -11.503   1.024
   19    H1*    G   2           H1*        G   2   2.196 -14.269   2.325
   20    H8     G   2           H8         G   2  -0.963 -13.426   3.839
   21    H1     G   2           H1         G   2  -1.803 -16.664  -1.634
   22   1H2     G   2          H21         G   2   1.520 -15.914  -2.243
   23   2H2     G   2          H22         G   2   0.055 -16.691  -2.800
   24   1H5*    U   3          1H5*        U   3   3.788  -9.523  -0.756
   25   2H5*    U   3          2H5*        U   3   3.068  -8.117  -1.564
   26    H4*    U   3           H4*        U   3   3.877  -9.771  -3.156
   27    H3*    U   3           H3*        U   3   0.921  -9.223  -3.133
   28    H2*    U   3           H2*        U   3   0.672 -10.802  -4.944
   29   2HO*    U   3          2HO*        U   3   2.346 -10.753  -6.282
   30    H1*    U   3           H1*        U   3   2.288 -12.758  -3.792
   31    H3     U   3           H3         U   3  -1.889 -14.379  -3.158
   32    H5     U   3           H5         U   3  -1.466 -11.406  -0.227
   33    H6     U   3           H6         U   3   0.624 -10.797  -1.251
   34   1H5*    A   4          1H5*        A   4   2.164  -7.886  -7.361
   35   2H5*    A   4          2H5*        A   4   1.135  -6.465  -7.621
   36    H4*    A   4           H4*        A   4   0.992  -8.189  -9.398
   37    H3*    A   4           H3*        A   4  -1.476  -7.283  -7.959
   38    H2*    A   4           H2*        A   4  -2.790  -8.850  -9.270
   39   2HO*    A   4          2HO*        A   4  -1.856  -8.901 -11.259
   40    H1*    A   4           H1*        A   4  -1.166 -11.004  -8.761
   41    H8     A   4           H8         A   4  -0.524  -9.173  -5.683
   42   1H6     A   4          H61         A   4  -6.070 -10.915  -3.564
   43   2H6     A   4          H62         A   4  -4.518 -10.231  -3.134
   44    H2     A   4           H2         A   4  -5.943 -11.737  -7.974
   45   1H5*    G   5          1H5*        G   5  -2.873  -5.559 -11.738
   46   2H5*    G   5          2H5*        G   5  -3.456  -3.953 -11.260
   47    H4*    G   5           H4*        G   5  -5.218  -5.429 -12.147
   48    H3*    G   5           H3*        G   5  -5.519  -4.384  -9.339
   49    H2*    G   5           H2*        G   5  -7.666  -5.504  -9.252
   50   2HO*    G   5          2HO*        G   5  -8.607  -6.344 -11.071
   51    H1*    G   5           H1*        G   5  -6.704  -7.906 -10.283
   52    H8     G   5           H8         G   5  -3.822  -6.819  -8.325
   53    H1     G   5           H1         G   5  -8.704  -8.685  -4.602
   54   1H2     G   5          H21         G   5 -10.594  -8.474  -7.483
   55   2H2     G   5          H22         G   5 -10.544  -8.823  -5.769
   56   1H5*    A   6          1H5*        A   6  -9.098  -4.282 -10.871
   57   2H5*    A   6          2H5*        A   6  -9.765  -2.638 -10.875
   58    H4*    A   6           H4*        A   6 -11.305  -4.364  -9.998
   59    H3*    A   6           H3*        A   6 -11.147  -1.827  -9.073
   60    H2*    A   6           H2*        A   6  -9.661  -2.252  -7.214
   61   2HO*    A   6          2HO*        A   6 -11.631  -3.208  -5.637
   62    H1*    A   6           H1*        A   6 -11.180  -4.871  -6.695
   63    H8     A   6           H8         A   6  -7.462  -4.228  -7.432
   64   1H6     A   6          H61         A   6  -6.466  -5.916  -1.560
   65   2H6     A   6          H62         A   6  -5.714  -5.474  -3.082
   66    H2     A   6           H2         A   6 -10.900  -5.831  -2.252
   67   1H5*    A   7          1H5*        A   7 -14.182  -3.564  -6.058
   68   2H5*    A   7          2H5*        A   7 -15.478  -2.356  -5.962
   69    H4*    A   7           H4*        A   7 -14.934  -2.698  -3.751
   70    H3*    A   7           H3*        A   7 -13.419  -0.270  -4.682
   71    H2*    A   7           H2*        A   7 -12.285  -0.185  -2.611
   72   2HO*    A   7          2HO*        A   7 -14.063  -1.906  -1.295
   73    H1*    A   7           H1*        A   7 -12.727  -3.042  -2.004
   74    H8     A   7           H8         A   7 -10.396  -2.011  -4.843
   75   1H6     A   7          H61         A   7  -5.837  -2.639  -0.696
   76   2H6     A   7          H62         A   7  -6.213  -2.369  -2.383
   77    H2     A   7           H2         A   7  -9.748  -3.016   1.463
   78   1H5*    A   8          1H5*        A   8 -16.012   3.071  -1.397
   79   2H5*    A   8          2H5*        A   8 -14.315   3.568  -1.537
   80    H4*    A   8           H4*        A   8 -15.771   2.599   0.750
   81    H3*    A   8           H3*        A   8 -13.111   3.933   0.348
   82    H2*    A   8           H2*        A   8 -12.419   3.159   2.523
   83   2HO*    A   8          2HO*        A   8 -14.735   1.761   3.102
   84    H1*    A   8           H1*        A   8 -13.366   0.562   2.211
   85    H8     A   8           H8         A   8 -12.023   2.015  -1.037
   86   1H6     A   8          H61         A   8  -6.561  -0.377   0.634
   87   2H6     A   8          H62         A   8  -7.451   0.410  -0.651
   88    H2     A   8           H2         A   8  -9.392  -0.830   4.082
   89   1H5*    C   9          1H5*        C   9 -13.965   6.271   4.839
   90   2H5*    C   9          2H5*        C   9 -12.803   7.387   4.095
   91    H4*    C   9           H4*        C   9 -12.304   5.905   6.292
   92    H3*    C   9           H3*        C   9 -10.436   7.093   4.277
   93    H2*    C   9           H2*        C   9  -8.592   5.874   5.234
   94   2HO*    C   9          2HO*        C   9 -10.285   5.847   7.393
   95    H1*    C   9           H1*        C   9  -9.910   3.441   5.441
   96   1H4     C   9          H41         C   9  -8.761   4.037  -1.024
   97   2H4     C   9          H42         C   9  -7.373   3.184  -0.366
   98    H5     C   9           H5         C   9 -10.526   4.957   0.371
   99    H6     C   9           H6         C   9 -11.309   5.230   2.662
  100   1H5*    A  10          1H5*        A  10  -8.575   7.312   8.048
  101   2H5*    A  10          2H5*        A  10  -7.613   8.797   8.191
  102    H4*    A  10           H4*        A  10  -6.450   6.512   8.429
  103    H3*    A  10           H3*        A  10  -5.402   8.877   6.931
  104    H2*    A  10           H2*        A  10  -3.561   7.593   6.083
  105   2HO*    A  10          2HO*        A  10  -3.435   6.445   8.247
  106    H1*    A  10           H1*        A  10  -5.011   5.300   5.454
  107    H8     A  10           H8         A  10  -7.492   7.729   4.448
  108   1H6     A  10          H61         A  10  -4.127   8.995  -0.588
  109   2H6     A  10          H62         A  10  -5.685   9.183   0.184
  110    H2     A  10           H2         A  10  -1.555   6.660   2.252
  111   1H5*    A  11          1H5*        A  11  -2.812  11.305   7.221
  112   2H5*    A  11          2H5*        A  11  -2.679   9.746   6.382
  113    H4*    A  11           H4*        A  11  -0.551  11.300   7.822
  114    H3*    A  11           H3*        A  11  -1.055  11.535   5.227
  115    H2*    A  11           H2*        A  11  -0.975   9.211   4.598
  116   2HO*    A  11          2HO*        A  11   0.917   8.986   3.513
  117    H1*    A  11           H1*        A  11   1.469   8.743   6.367
  118    H8     A  11           H8         A  11  -1.545   7.121   7.617
  119   1H6     A  11          H61         A  11  -0.137   2.137   4.226
  120   2H6     A  11          H62         A  11  -1.144   2.760   5.513
  121    H2     A  11           H2         A  11   2.450   5.534   2.849
  122   1H5*    G  12          1H5*        G  12   3.331  11.011   4.697
  123   2H5*    G  12          2H5*        G  12   3.921  12.634   4.291
  124    H4*    G  12           H4*        G  12   5.034  11.148   2.857
  125    H3*    G  12           H3*        G  12   2.868  12.682   1.455
  126    H2*    G  12           H2*        G  12   3.368  11.496  -0.582
  127   2HO*    G  12          2HO*        G  12   5.194   9.793  -0.173
  128    H1*    G  12           H1*        G  12   3.537   8.982   0.585
  129    H8     G  12           H8         G  12   0.873  10.975   2.342
  130    H1     G  12           H1         G  12  -1.073   8.143  -3.075
  131   1H2     G  12          H21         G  12   2.287   7.497  -3.590
  132   2H2     G  12          H22         G  12   0.646   7.343  -4.177
  133   1H5*    G  13          1H5*        G  13   6.450  12.391  -1.146
  134   2H5*    G  13          2H5*        G  13   6.700  14.067  -1.672
  135    H4*    G  13           H4*        G  13   6.799  12.551  -3.551
  136    H3*    G  13           H3*        G  13   4.486  14.473  -3.534
  137    H2*    G  13           H2*        G  13   3.788  13.556  -5.654
  138   2HO*    G  13          2HO*        G  13   5.116  12.221  -6.840
  139    H1*    G  13           H1*        G  13   4.149  10.889  -4.902
  140    H8     G  13           H8         G  13   2.858  12.825  -1.961
  141    H1     G  13           H1         G  13  -1.686  10.874  -6.053
  142   1H2     G  13          H21         G  13   0.948  10.081  -8.139
  143   2H2     G  13          H22         G  13  -0.784  10.117  -7.893
  144   1H5*    C  14          1H5*        C  14   6.210  15.804  -7.659
  145   2H5*    C  14          2H5*        C  14   6.225  17.529  -7.242
  146    H4*    C  14           H4*        C  14   5.043  17.169  -9.313
  147    H3*    C  14           H3*        C  14   3.298  18.069  -7.022
  148    H2*    C  14           H2*        C  14   1.469  18.152  -8.594
  149   2HO*    C  14          2HO*        C  14   3.479  17.649 -10.569
  150    H1*    C  14           H1*        C  14   2.136  15.706  -9.829
  151   1H4     C  14          H41         C  14  -1.090  14.131  -4.302
  152   2H4     C  14          H42         C  14  -2.348  14.569  -5.448
  153    H5     C  14           H5         C  14   1.261  14.372  -4.800
  154    H6     C  14           H6         C  14   2.882  15.123  -6.455
  155   1H5*    U  15          1H5*        U  15   1.838  21.335  -9.600
  156   2H5*    U  15          2H5*        U  15   1.996  22.637  -8.406
  157    H4*    U  15           H4*        U  15  -0.307  22.282  -9.261
  158    H3*    U  15           H3*        U  15   0.261  22.184  -6.319
  159    H2*    U  15           H2*        U  15  -2.060  21.687  -5.897
  160   2HO*    U  15          2HO*        U  15  -3.411  21.488  -7.933
  161    H1*    U  15           H1*        U  15  -2.277  19.722  -7.827
  162    H3     U  15           H3         U  15  -1.894  17.558  -3.827
  163    H5     U  15           H5         U  15   2.043  18.319  -5.067
  164    H6     U  15           H6         U  15   1.143  19.690  -6.829
  165   1H5*    U  16          1H5*        U  16  -2.540  26.762  -5.487
  166   2H5*    U  16          2H5*        U  16  -2.698  25.768  -4.026
  167    H4*    U  16           H4*        U  16  -4.865  26.488  -4.571
  168    H3*    U  16           H3*        U  16  -4.595  23.915  -4.180
  169    H2*    U  16           H2*        U  16  -3.894  23.263  -6.401
  170   2HO*    U  16          2HO*        U  16  -6.437  23.084  -7.305
  171    H1*    U  16           H1*        U  16  -6.082  24.951  -7.687
  172    H3     U  16           H3         U  16  -4.039  23.356 -11.426
  173    H5     U  16           H5         U  16  -1.200  25.858  -9.601
  174    H6     U  16           H6         U  16  -2.669  25.999  -7.695
  175   1H5*    C  17          1H5*        C  17  -7.764  21.874  -5.044
  176   2H5*    C  17          2H5*        C  17  -8.523  21.480  -3.489
  177    H4*    C  17           H4*        C  17  -7.469  19.600  -4.926
  178    H3*    C  17           H3*        C  17  -8.003  19.536  -2.248
  179    H2*    C  17           H2*        C  17  -5.828  20.379  -1.554
  180   2HO*    C  17          2HO*        C  17  -5.221  17.623  -1.937
  181    H1*    C  17           H1*        C  17  -4.652  18.542  -3.735
  182   1H4     C  17          H41         C  17   0.198  22.837  -2.872
  183   2H4     C  17          H42         C  17   0.714  21.452  -1.919
  184    H5     C  17           H5         C  17  -2.003  23.051  -3.812
  185    H6     C  17           H6         C  17  -4.136  21.929  -4.154
  186   1H5*    G  18          1H5*        G  18  -9.661  19.229  -3.661
  187   2H5*    G  18          2H5*        G  18 -10.976  18.674  -2.607
  188    H4*    G  18           H4*        G  18 -12.341  18.711  -4.338
  189    H3*    G  18           H3*        G  18 -10.628  16.449  -5.221
  190    H2*    G  18           H2*        G  18 -10.900  16.879  -7.485
  191   2HO*    G  18          2HO*        G  18 -12.988  16.297  -7.689
  192    H1*    G  18           H1*        G  18 -12.326  19.498  -7.036
  193    H8     G  18           H8         G  18 -11.860  20.179  -9.470
  194    H1     G  18           H1         G  18  -5.562  19.296  -8.595
  195   1H2     G  18          H21         G  18  -6.479  17.864  -5.591
  196   2H2     G  18          H22         G  18  -5.188  18.307  -6.684
  197   1H5*    G  19          1H5*        G  19 -10.377  12.739  -5.080
  198   2H5*    G  19          2H5*        G  19  -9.943  14.457  -5.137
  199    H4*    G  19           H4*        G  19 -11.092  13.387  -7.611
  200    H3*    G  19           H3*        G  19  -8.756  11.991  -6.472
  201    H2*    G  19           H2*        G  19  -7.303  12.453  -8.301
  202   2HO*    G  19          2HO*        G  19  -9.674  12.427  -9.627
  203    H1*    G  19           H1*        G  19  -8.095  15.050  -8.882
  204    H8     G  19           H8         G  19  -8.084  14.304  -5.151
  205    H1     G  19           H1         G  19  -2.526  16.476  -7.488
  206   1H2     G  19          H21         G  19  -3.979  16.060 -10.581
  207   2H2     G  19          H22         G  19  -2.565  16.535  -9.652
  208   1H5*    C  20          1H5*        C  20  -9.373   9.488 -10.193
  209   2H5*    C  20          2H5*        C  20  -9.309   7.833  -9.554
  210    H4*    C  20           H4*        C  20  -7.688   8.262 -11.361
  211    H3*    C  20           H3*        C  20  -6.752   7.331  -8.675
  212    H2*    C  20           H2*        C  20  -4.452   7.491  -9.395
  213   2HO*    C  20          2HO*        C  20  -4.760   8.558 -11.850
  214    H1*    C  20           H1*        C  20  -4.665  10.007 -10.493
  215   1H4     C  20          H41         C  20  -5.197  11.173  -4.035
  216   2H4     C  20          H42         C  20  -3.476  11.171  -4.347
  217    H5     C  20           H5         C  20  -6.833  10.591  -5.678
  218    H6     C  20           H6         C  20  -7.198   9.914  -7.973
  219   1H5*    C  21          1H5*        C  21  -4.039   5.660 -10.801
  220   2H5*    C  21          2H5*        C  21  -4.196   3.896 -10.696
  221    H4*    C  21           H4*        C  21  -1.936   4.447 -10.256
  222    H3*    C  21           H3*        C  21  -3.427   3.601  -7.783
  223    H2*    C  21           H2*        C  21  -1.402   3.887  -6.525
  224   2HO*    C  21          2HO*        C  21   0.312   3.227  -7.622
  225    H1*    C  21           H1*        C  21  -0.606   6.261  -7.838
  226   1H4     C  21          H41         C  21  -4.903   8.167  -3.221
  227   2H4     C  21          H42         C  21  -3.384   7.980  -2.360
  228    H5     C  21           H5         C  21  -5.188   7.524  -5.539
  229    H6     C  21           H6         C  21  -4.073   6.583  -7.500
  230   1H5*    U  22          1H5*        U  22  -0.926  -0.569  -5.946
  231   2H5*    U  22          2H5*        U  22  -1.723   0.825  -5.192
  232    H4*    U  22           H4*        U  22   1.214   0.408  -5.699
  233    H3*    U  22           H3*        U  22  -0.430   0.504  -3.191
  234    H2*    U  22           H2*        U  22   1.363   1.652  -2.068
  235   2HO*    U  22          2HO*        U  22   2.868   1.096  -4.438
  236    H1*    U  22           H1*        U  22   1.937   3.412  -4.164
  237    H3     U  22           H3         U  22  -0.106   5.707  -0.759
  238    H5     U  22           H5         U  22  -3.186   4.318  -3.253
  239    H6     U  22           H6         U  22  -1.548   2.977  -4.399
  240   1H5*    G  23          1H5*        G  23   2.303  -0.161  -0.942
  241   2H5*    G  23          2H5*        G  23   2.168  -1.826  -0.343
  242    H4*    G  23           H4*        G  23   2.301  -0.474   1.560
  243    H3*    G  23           H3*        G  23  -0.490  -1.443   1.060
  244    H2*    G  23           H2*        G  23  -1.274  -0.191   2.959
  245   2HO*    G  23          2HO*        G  23   0.638  -0.672   4.254
  246    H1*    G  23           H1*        G  23   0.128   2.142   2.373
  247    H8     G  23           H8         G  23  -0.681   1.193  -1.006
  248    H1     G  23           H1         G  23  -5.936   2.964   2.219
  249   1H2     G  23          H21         G  23  -3.963   2.608   5.040
  250   2H2     G  23          H22         G  23  -5.530   3.011   4.374
  251   1H5*    C  24          1H5*        C  24  -2.456  -3.389   4.927
  252   2H5*    C  24          2H5*        C  24  -2.374  -1.735   4.292
  253    H4*    C  24           H4*        C  24  -0.867  -1.938   6.726
  254    H3*    C  24           H3*        C  24  -3.637  -3.093   6.903
  255    H2*    C  24           H2*        C  24  -3.974  -1.865   8.946
  256   2HO*    C  24          2HO*        C  24  -1.345  -0.829   8.819
  257    H1*    C  24           H1*        C  24  -2.840   0.520   8.012
  258   1H4     C  24          H41         C  24  -8.832   0.481   5.306
  259   2H4     C  24          H42         C  24  -9.104   0.992   6.963
  260    H5     C  24           H5         C  24  -6.682  -0.290   4.507
  261    H6     C  24           H6         C  24  -4.363  -0.726   5.127
  262   1H5*    U  25          1H5*        U  25  -4.443  -4.406   8.830
  263   2H5*    U  25          2H5*        U  25  -4.669  -6.166   8.794
  264    H4*    U  25           H4*        U  25  -6.792  -5.056   8.594
  265    H3*    U  25           H3*        U  25  -5.903  -6.499   6.102
  266    H2*    U  25           H2*        U  25  -8.020  -5.884   5.117
  267   2HO*    U  25          2HO*        U  25  -9.709  -5.262   6.331
  268    H1*    U  25           H1*        U  25  -7.937  -3.241   6.022
  269    H3     U  25           H3         U  25  -7.182  -2.830   1.589
  270    H5     U  25           H5         U  25  -3.538  -4.222   3.132
  271    H6     U  25           H6         U  25  -4.633  -4.510   5.258
  272   1H5*    U  26          1H5*        U  26 -10.014  -8.019   7.047
  273   2H5*    U  26          2H5*        U  26  -9.966  -9.716   6.533
  274    H4*    U  26           H4*        U  26 -11.804  -8.394   5.527
  275    H3*    U  26           H3*        U  26  -9.807  -9.726   3.706
  276    H2*    U  26           H2*        U  26 -11.085  -8.906   1.835
  277   2HO*    U  26          2HO*        U  26 -13.086  -9.093   3.557
  278    H1*    U  26           H1*        U  26 -11.503  -6.344   2.930
  279    H3     U  26           H3         U  26  -8.686  -5.896  -0.633
  280    H5     U  26           H5         U  26  -6.239  -6.911   2.623
  281    H6     U  26           H6         U  26  -8.238  -7.354   3.887
  282   1H5*    U  27          1H5*        U  27 -13.718 -11.094   2.289
  283   2H5*    U  27          2H5*        U  27 -13.478 -12.744   1.683
  284    H4*    U  27           H4*        U  27 -14.407 -11.153   0.019
  285    H3*    U  27           H3*        U  27 -11.858 -12.629  -0.575
  286    H2*    U  27           H2*        U  27 -11.795 -11.531  -2.735
  287   2HO*    U  27          2HO*        U  27 -14.285 -10.347  -1.969
  288    H1*    U  27           H1*        U  27 -12.198  -8.998  -1.712
  289    H3     U  27           H3         U  27  -7.725  -9.332  -2.466
  290    H5     U  27           H5         U  27  -8.327 -11.106   1.291
  291    H6     U  27           H6         U  27 -10.695 -10.976   0.886
  292   1H5*    U  28          1H5*        U  28 -14.525 -14.263  -3.905
  293   2H5*    U  28          2H5*        U  28 -13.959 -15.936  -4.070
  294    H4*    U  28           H4*        U  28 -13.838 -14.646  -6.162
  295    H3*    U  28           H3*        U  28 -11.274 -15.762  -5.045
  296    H2*    U  28           H2*        U  28 -10.151 -14.892  -7.006
  297   2HO*    U  28          2HO*        U  28 -12.757 -14.843  -7.945
  298    H1*    U  28           H1*        U  28 -11.323 -12.378  -6.818
  299    H3     U  28           H3         U  28  -7.038 -12.012  -5.288
  300    H5     U  28           H5         U  28  -9.315 -13.238  -1.979
  301    H6     U  28           H6         U  28 -11.158 -13.609  -3.483
  302   1H5*    G  29          1H5*        G  29 -10.946 -18.545  -8.271
  303   2H5*    G  29          2H5*        G  29 -10.514 -20.064  -7.461
  304    H4*    G  29           H4*        G  29  -8.734 -19.157  -8.921
  305    H3*    G  29           H3*        G  29  -8.122 -19.553  -5.998
  306    H2*    G  29           H2*        G  29  -5.931 -18.706  -6.380
  307   2HO*    G  29          2HO*        G  29  -6.502 -19.276  -9.119
  308    H1*    G  29           H1*        G  29  -6.714 -16.915  -8.519
  309    H8     G  29           H8         G  29  -8.696 -16.187  -5.476
  310    H1     G  29           H1         G  29  -2.774 -13.729  -5.294
  311   1H2     G  29          H21         G  29  -2.177 -15.744  -8.042
  312   2H2     G  29          H22         G  29  -1.547 -14.565  -6.916
  313   1H5*    C  30          1H5*        C  30  -4.890 -21.289  -8.575
  314   2H5*    C  30          2H5*        C  30  -4.410 -22.771  -7.726
  315    H4*    C  30           H4*        C  30  -2.530 -21.266  -8.317
  316    H3*    C  30           H3*        C  30  -2.976 -22.077  -5.462
  317    H2*    C  30           H2*        C  30  -1.075 -20.747  -4.810
  318   2HO*    C  30          2HO*        C  30  -0.547 -19.829  -7.390
  319    H1*    C  30           H1*        C  30  -1.758 -18.520  -6.340
  320   1H4     C  30          H41         C  30  -5.901 -18.401  -1.205
  321   2H4     C  30          H42         C  30  -4.555 -17.365  -0.764
  322    H5     C  30           H5         C  30  -5.944 -19.706  -3.237
  323    H6     C  30           H6         C  30  -4.711 -20.297  -5.256
  324   1H5*    U  31          1H5*        U  31   1.107 -22.070  -6.047
  325   2H5*    U  31          2H5*        U  31   1.640 -23.755  -5.880
  326    H4*    U  31           H4*        U  31   3.212 -22.530  -4.689
  327    H3*    U  31           H3*        U  31   1.213 -23.727  -2.788
  328    H2*    U  31           H2*        U  31   2.403 -22.715  -0.964
  329   2HO*    U  31          2HO*        U  31   4.366 -21.378  -2.130
  330    H1*    U  31           H1*        U  31   2.833 -20.253  -2.266
  331    H3     U  31           H3         U  31  -0.157 -19.024   0.853
  332    H5     U  31           H5         U  31  -2.401 -21.375  -1.809
  333    H6     U  31           H6         U  31  -0.350 -21.904  -2.951
  334    H3T    U  31           H3T        U  31   2.891 -24.852  -4.070