*HEADER   COMPLEX (RIBONUCLEIC ACID/LIGAND)       10-MAY-97   1AJU    
*TITLE    HIV-2 TAR-ARGININAMIDE COMPLEX, NMR, 20 STRUCTURES          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TRANS ACTIVATING REGION RNA;                     
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 SYNONYM: TAR;                                              
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MOL_ID: 2;                                                 
*COMPND  7 MOLECULE: ARGININE;                                        
*COMPND  8 CHAIN: B;                                                  
*COMPND  9 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: MADE FROM OLIGO DIRECTED T7 POLYMERMASE         
*SOURCE  3 TRANSCRIPTION;                                             
*SOURCE  4 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2;  
*SOURCE  5 ORGANISM_COMMON: HIV-2;                                    
*SOURCE  6 MOL_ID: 2;                                                 
*SOURCE  7 SYNTHETIC: YES                                             
*KEYWDS   COMPLEX (RIBONUCLEIC ACID/LIGAND), NMR,                     
*KEYWDS  2 TRANSCRIPTIONAL ACTIVATION, PROTEIN-RNA INTERACTIONS       
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   A.S.BRODSKY,J.R.WILLIAMSON                                  
*REVDAT  1   17-DEC-97 1AJU    0                                      
 
!This file contains three sections: NOEs, Hydrogen Bond restraints, Torsion Restraints
!When the calculations were done, these  were kept as separate files

! noes in order residue number order
! for square well potential format is:  d dminus dplus 
!removed intranuc H5 - H4* and H5-H6 noes
! made H5 noes upper bound 6.0 A except for the strong internuc H5-H3'

set echo = off end
set message = off end

! lower stem

assign (resid 16 and name H2'  )(resid 16 and name H1'  )  2.40  0.60  0.60
assign (resid 16 and name H3'  )(resid 16 and name H1'  )  2.90  1.10  1.10
assign (resid 16 and name H3'  )(resid 16 and name H2'  )  2.40  0.60  0.60
assign (resid 16 and name H4'  )(resid 16 and name H1'  )  2.90  1.10  1.10
assign (resid 16 and name H4'  )(resid 16 and name H2'  )  3.40  1.60  1.60
assign (resid 16 and name H4'  )(resid 16 and name H3'  )  2.40  0.60  0.60
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H1'  )				   3.90  2.10  1.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 16 and name H5' or resid 16 and name H5'')
(resid 16 and name H3'  )  				   3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H1'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H2'  )  2.90  1.10  1.10
assign (resid 16 and name H8   )(resid 16 and name H3'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )(resid 16 and name H4'  )  3.40  1.60  1.60
assign (resid 16 and name H8   )
(resid 16 and name H5' or resid 16 and name H5'' )  	   3.90  2.10  1.10

assign (resid 17 and name H1'  )(resid 16 and name H2'  )  3.40  1.60  1.60
assign (resid 17 and name H2'  )(resid 17 and name H1'  )  2.40  0.60  0.60
assign (resid 17 and name H3'  )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H3'  )(resid 17 and name H2'  )  2.40  0.60  0.60
assign (resid 17 and name H4'  )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H4'  )(resid 17 and name H2'  )  2.90  1.10  1.10
assign (resid 17 and name H4'  )(resid 17 and name H3'  )  2.40  0.60  0.60
assign (resid 17 and name H5' or resid 17 and name H5'')
(resid 17 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 17 and name H5' or resid 17 and name H5'')
(resid 17 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 16 and name H1'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )(resid 16 and name H2'  )  2.40  0.60  0.60
assign (resid 17 and name H8   )(resid 16 and name H3'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 16 and name H8   )  3.40  1.60  2.60
assign (resid 17 and name H8   )(resid 17 and name H1'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 17 and name H2'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )(resid 17 and name H3'  )  2.90  1.10  1.10
assign (resid 17 and name H8   )(resid 17 and name H4'  )  3.40  1.60  1.60
assign (resid 17 and name H8   )
(resid 17 and name H5' or resid 17 and name H5'') 	   3.90  2.10  1.10

assign (resid 18 and name H1'  )(resid 17 and name H2'  )  3.40  1.60  1.60
assign (resid 18 and name H2'  )(resid 18 and name H1'  )  2.40  0.60  0.60
assign (resid 18 and name H3'  )(resid 18 and name H1'  )  2.90  1.10  1.10
assign (resid 18 and name H4'  )(resid 18 and name H1'  )  2.90  1.10  1.10
assign (resid 18 and name H4'  )(resid 18 and name H3'  )  2.40  0.60  0.60
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 17 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H3'  )  				   3.40  1.60  0.60
assign (resid 18 and name H5' or resid 18 and name H5'' )
(resid 18 and name H4'  )  				   2.90  1.10  0.10
assign (resid 18 and name H41  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 18 and name H42  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 18 and name H6   )(resid 17 and name H1'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 17 and name H2'  )  2.90  1.10  1.10
assign (resid 18 and name H6   )(resid 17 and name H3'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H1'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H2'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )(resid 18 and name H3'  )  2.40  0.60  0.60
assign (resid 18 and name H6   )(resid 18 and name H4'  )  3.40  1.60  1.60
assign (resid 18 and name H6   )
(resid 18 and name H5' or resid 18 and name H5'' )  	   3.90  2.10  1.10
assign (resid 18 and name H5   )(resid 17 and name H2'  )  3.65  1.85  2.35
assign (resid 18 and name H5   )(resid 17 and name H3'  )  3.65  1.85  1.35
assign (resid 18 and name H5   )(resid 18 and name H3'  )  3.40  1.60  2.60

assign (resid 19 and name H2'  )(resid 19 and name H1'  )  2.40  0.60  0.60
assign (resid 19 and name H3'  )(resid 19 and name H1'  )  2.90  1.10  1.10
assign (resid 19 and name H3'  )(resid 19 and name H2'  )  2.40  0.60  0.60
assign (resid 19 and name H4'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 19 and name H42  )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 19 and name H42  )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 19 and name H6   )(resid 18 and name H2'  )  2.40  0.60  0.60
assign (resid 19 and name H6   )(resid 18 and name H3'  )  2.90  1.10  1.10
assign (resid 19 and name H6   )(resid 19 and name H1'  )  3.40  1.60  1.60
assign (resid 19 and name H6   )(resid 19 and name H3'  )  2.90  1.10  1.10
assign (resid 19 and name H6   )
(resid 19 and name H5' or resid 19 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 19 and name H5   )(resid 18 and name H41  )  3.90  2.10  2.10
assign (resid 19 and name H5   )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 19 and name H5   )(resid 18 and name H5   )  3.40  1.60  2.60

assign (resid 20 and name H1'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H2'  )(resid 20 and name H1'  )  2.40  0.60  0.60
assign (resid 20 and name H3'  )(resid 19 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H3'  )(resid 20 and name H1'  )  2.90  1.10  1.10
assign (resid 20 and name H3'  )(resid 20 and name H2'  )  2.40  0.60  0.60
assign (resid 20 and name H4'  )(resid 20 and name H1'  )  2.90  1.10  1.10
assign (resid 20 and name H4'  )(resid 20 and name H2'  )  2.90  1.10  1.10
assign (resid 20 and name H4'  )(resid 20 and name H3'  )  2.40  0.60  0.60
assign (resid 20 and name H5' or resid 20 and name H5'')
(resid 20 and name H3'  )  				   3.40  1.60  1.60
assign (resid 20 and name H5' or resid 20 and name H5'')
(resid 20 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 19 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 19 and name H2'  )  2.40  0.60  0.60
assign (resid 20 and name H8   )(resid 19 and name H3'  )  2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 19 and name H6   )  3.40  1.60  2.60
assign (resid 20 and name H8   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )(resid 20 and name H3'  )  2.90  1.10  1.10
assign (resid 20 and name H8   )(resid 20 and name H4'  )  3.40  1.60  1.60
assign (resid 20 and name H8   )
(resid 20 and name H5' or resid 20 and name H5'')  	   3.90  2.10  1.10
assign (resid 20 and name H2   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 20 and name H2   )(resid 20 and name H2'  )  3.40  1.60  1.60

assign (resid 21 and name H1'  )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H1'  )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 21 and name H2'  )(resid 21 and name H1'  )  2.40  0.60  0.60
assign (resid 21 and name H3'  )(resid 20 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H3'  )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H3'  )(resid 21 and name H2'  )  2.40  0.60  0.60
assign (resid 21 and name H4'  )(resid 21 and name H1'  )  2.90  1.10  1.10
assign (resid 21 and name H4'  )(resid 21 and name H3'  )  2.40  0.60  0.60
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 20 and name H2'  )  				   3.90  2.10  1.10
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 21 and name H3'  )  				   3.90  2.10  1.10
assign (resid 21 and name H5' or resid 21 and name H5'')
(resid 21 and name H4'  )  				   2.90  1.10  0.10
assign (resid 21 and name H8   )(resid 20 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 20 and name H2'  )  2.40  0.60  0.60
assign (resid 21 and name H8   )(resid 20 and name H3'  )  2.90  1.10  1.10
assign (resid 21 and name H8   )(resid 20 and name H8   )  3.40  1.60  2.60
assign (resid 21 and name H8   )(resid 20 and name H2   )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H2'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )(resid 21 and name H3'  )  2.40  0.60  0.60
assign (resid 21 and name H8   )(resid 21 and name H4'  )  3.40  1.60  1.60
assign (resid 21 and name H8   )
(resid 21 and name H5' or resid 21 and name H5'')          3.90  2.10  1.10
assign (resid 21 and name H1   )(resid 20 and name H2   )  3.90  2.10  2.10

assign (resid 22 and name H1'  )(resid 21 and name H2'  )  3.40  1.60  1.60
assign (resid 22 and name H2'  )(resid 22 and name H1'  )  2.40  0.60  0.60
assign (resid 22 and name H3'  )(resid 22 and name H1'  )  2.90  1.10  1.10
assign (resid 22 and name H3'  )(resid 22 and name H2'  )  2.40  0.60  0.60
assign (resid 22 and name H4'  )(resid 22 and name H1'  )  2.90  1.10  1.10
assign (resid 22 and name H4'  )(resid 22 and name H2'  )  2.90  1.10  1.10
assign (resid 22 and name H4'  )(resid 22 and name H3'  )  2.40  0.60  0.60
assign (resid 22 and name H5' or resid 22 and name H5'')
(resid 22 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 22 and name H8   )(resid 21 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 21 and name H2'  )  2.40  0.60  0.60
assign (resid 22 and name H8   )(resid 21 and name H3'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 21 and name H8   )  3.40  1.60  2.60
assign (resid 22 and name H8   )(resid 22 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 22 and name H2'  )  3.40  1.60  1.60
assign (resid 22 and name H8   )(resid 22 and name H3'  )  2.90  1.10  1.10
assign (resid 22 and name H8   )(resid 22 and name H4'  )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 22 and name H2   )(resid 22 and name H1'  )  3.40  1.60  1.60
assign (resid 22 and name H2   )(resid 22 and name H2'  )  3.90  2.10  2.10

! internucleotide noes to U23

assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 22 and name H2'	)				   2.90	 1.10  2.10
assign (resid 23 and name H1'  )
(resid 26 and name H2' or resid 26 and name H3' )          2.90  1.10  1.10
assign (resid 23 and name H1'  )(resid 26 and name H4'  )  3.40  1.60  1.60
assign (resid 23 and name H1'  )
(resid 26 and name H5' or resid 26 and name H5'')          2.90  1.10  1.10
assign (resid 23 and name H1'  )(resid 26 and name H8   )  2.90  1.10  1.10
assign (resid 23 and name H4'  )
(resid 26 and name H5' or resid 26 and name H5'')          3.40  1.60  1.60
assign (resid 23 and name H4'  )(resid 26 and name H8   )  3.40  1.60  1.60

! intranucleotide U23 noes

assign (resid 23 and name H2'  )(resid 23 and name H1'  )  2.40  0.60  0.60
assign (resid 23 and name H3'  )(resid 23 and name H1'  )  3.40  1.60  1.60
assign (resid 23 and name H3'  )(resid 23 and name H2'  )  2.40  0.60  0.60
assign (resid 23 and name H3'  )
(resid 23 and name H5' or resid 23 and name H5'')          3.40  1.60  1.60
assign (resid 23 and name H4'  )(resid 23 and name H1'  )  2.40  0.60  1.60
assign (resid 23 and name H4'  )(resid 23 and name H2'  )  2.90  1.10  1.10
assign (resid 23 and name H4'  )(resid 23 and name H3'  )  2.40  0.60  0.60
assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 23 and name H1'  )     				   3.65  1.85  1.35
assign (resid 23 and name H5' or resid 23 and name H5'')
(resid 23 and name H4'  )  				   2.65  0.85  0.35
assign (resid 23 and name H6   )(resid 23 and name H1'  )  2.90  1.10  1.10
assign (resid 23 and name H6   )(resid 23 and name H2'  )  2.90  1.10  1.10
assign (resid 23 and name H6   )(resid 23 and name H3'  )  2.90  1.10  2.10
assign (resid 23 and name H6   )(resid 23 and name H4'  )  2.90  1.10  2.10
assign (resid 23 and name H5   )(resid 23 and name H2'  )  3.65  1.85  2.35

! internucleotide noes to U25

assign (resid 25 and name H3'  )(resid 23 and name H4'  )  2.90  1.10  1.10
assign (resid 25 and name H1'  )(resid 42 and name H1'  )  3.40  1.60  1.60

!intranucleotide noes to U25

assign (resid 25 and name H2'  )(resid 25 and name H1'  )  2.40  0.60  0.60
assign (resid 25 and name H3'  )(resid 25 and name H1'  )  2.90  1.10  1.10
assign (resid 25 and name H3'  )(resid 25 and name H2'  )  2.40  0.60  0.60
assign (resid 25 and name H4'  )(resid 25 and name H1'  )  2.40  0.60  1.60
assign (resid 25 and name H4'  )(resid 25 and name H2'  )  3.40  1.60  1.60
assign (resid 25 and name H4'  )(resid 25 and name H3'  )  2.40  0.60  0.60
assign (resid 25 and name H5' or resid 25 and name H5'')
(resid 25 and name H3'  ) 				   3.40  1.60  1.60
assign (resid 25 and name H5' or resid 25 and name H5'')
(resid 25 and name H4'  )				   2.90  1.10  0.10
assign (resid 25 and name H6   )(resid 25 and name H1'  )  2.90  1.10  1.10
assign (resid 25 and name H6   )(resid 25 and name H2'  )  2.40  0.60  0.60
assign (resid 25 and name H6   )(resid 25 and name H3'  )  2.90  1.10  2.10
assign (resid 25 and name H6   )(resid 25 and name H4'  )  3.40  1.60  1.60
assign (resid 25 and name H6   )
(resid 25 and name H5' or resid 25 and name H5'') 	   3.65  1.85  1.35
assign (resid 25 and name H5   )(resid 25 and name H2'  )  3.65  1.85  2.35

!upper stem

assign (resid 26 and name H1'  )(resid 22 and name H2   )  3.40  1.60  1.60
assign (resid 26 and name H2' or resid 26 and name H3' )
(resid 26 and name H1'  )  				   2.50  0.70  0.50
assign (resid 26 and name H4'  )(resid 26 and name H1'  )  2.40  0.60  1.60
assign (resid 26 and name H4'  )
(resid 26 and name H2' or resid 26 and name H3' ) 	   3.40  1.60  1.60
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 26 and name H5' or resid 26 and name H5'')
(resid 26 and name H4'  )  				   2.90  1.10  0.10
assign (resid 26 and name H8   )(resid 22 and name H2'  )  3.65  1.85  1.85
assign (resid 26 and name H8   )(resid 22 and name H2   )  3.40  1.60  1.60
assign (resid 26 and name H8   )(resid 26 and name H1'  )  3.40  1.60  1.60
assign (resid 26 and name H8   )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  1.10
assign (resid 26 and name H8   )(resid 26 and name H4'  )  3.40  1.60  1.60
assign (resid 26 and name H8   )
(resid 26 and name H5' or resid 26 and name H5'')   	   3.90  2.10  2.10
assign (resid 26 and name H1   )(resid 22 and name H2   )  3.40  1.60  1.60

assign (resid 27 and name H1'  )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H1'  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 27 and name H1'  )(resid 26 and name H21  )  3.90  2.10  2.10
assign (resid 27 and name H2'  )(resid 27 and name H1'  )  2.40  0.60  0.60
assign (resid 27 and name H3'  )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H3'  )(resid 27 and name H1'  )  2.90  1.10  1.10
assign (resid 27 and name H3'  )(resid 27 and name H2'  )  2.40  0.60  0.60
assign (resid 27 and name H4'  )(resid 27 and name H1'  )  2.90  1.10  1.10
assign (resid 27 and name H4'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 27 and name H4'  )(resid 27 and name H3'  )  2.40  0.60  0.60
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 26 and name H2' or resid 26 and name H3' ) 	   4.40  2.60  2.60
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 27 and name H3'  )  				   3.90  2.10  1.10
assign (resid 27 and name H5' or resid 27 and name H5'' )
(resid 27 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 27 and name H8   )(resid 26 and name H1'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )
(resid 26 and name H2' or resid 26 and name H3' )	   3.90  2.10  2.10
assign (resid 27 and name H8   )(resid 26 and name H8   )  3.40  1.60  2.60
assign (resid 27 and name H8   )(resid 27 and name H1'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )(resid 27 and name H3'  )  2.90  1.10  1.10
assign (resid 27 and name H8   )(resid 27 and name H4'  )  3.40  1.60  1.60
assign (resid 27 and name H8   )
(resid 27 and name H5' or resid 27 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 27 and name H2   )(resid 26 and name H1   )  3.90  2.10  2.10
assign (resid 27 and name H61 or resid 27 and name H62)
(resid 26 and name H1   ) 				   3.90  2.10  2.10

assign (resid 28 and name H1'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H1'  )(resid 27 and name H2   )  2.90  1.10  1.10
assign (resid 28 and name H2'  )(resid 28 and name H1'  )  2.40  0.60  0.60
assign (resid 28 and name H3'  )(resid 27 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H3'  )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 28 and name H3'  )(resid 28 and name H2'  )  2.40  0.60  0.60
assign (resid 28 and name H4'  )(resid 28 and name H1'  )  2.90  1.10  1.10
assign (resid 28 and name H4'  )(resid 28 and name H2'  )  2.90  1.10  1.10
assign (resid 28 and name H4'  )(resid 28 and name H3'  )  2.40  0.60  0.60
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 27 and name H2'  )  				   3.90  2.10  1.10
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 28 and name H3'  )  				   3.40  1.60  0.60
assign (resid 28 and name H5' or resid 28 and name H5'' )
(resid 28 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 28 and name H8   )(resid 27 and name H1'  )  2.90  1.10  2.10
assign (resid 28 and name H8   )(resid 27 and name H2'  )  2.40  0.60  0.60
assign (resid 28 and name H8   )(resid 27 and name H3'  )  2.90  1.10  1.10
assign (resid 28 and name H8   )(resid 27 and name H8   )  3.40  1.60  2.60
assign (resid 28 and name H8   )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )(resid 28 and name H2'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )(resid 28 and name H3'  )  2.90  1.10  1.10
assign (resid 28 and name H8   )(resid 28 and name H4'  )  3.40  1.60  1.60
assign (resid 28 and name H8   )
(resid 28 and name H5' or resid 28 and name H5'' )  	   3.65  1.85  1.35
assign (resid 28 and name H1   )(resid 27 and name H2   )  3.90  2.10  2.10
assign (resid 28 and name H1   )
(resid 27 and name H61 or resid 27 and name H62)  	   3.90  2.10  2.10

assign (resid 29 and name H1'  )(resid 28 and name H2'  )  3.40  1.60  1.60
assign (resid 29 and name H2'  )(resid 29 and name H1'  )  2.40  0.60  0.60
assign (resid 29 and name H3'  )(resid 29 and name H1'  )  2.90  1.10  1.10
assign (resid 29 and name H3'  )(resid 29 and name H2'  )  2.40  0.60  0.60
assign (resid 29 and name H4'  )(resid 29 and name H1'  )  2.90  1.10  1.10
assign (resid 29 and name H4'  )(resid 29 and name H2'  )  2.90  1.10  1.10
assign (resid 29 and name H41  )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H42  )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H6   )(resid 28 and name H1'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 28 and name H2'  )  2.40  0.60  0.60
assign (resid 29 and name H6   )(resid 28 and name H3'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 28 and name H8   )  3.40  1.60  2.60
assign (resid 29 and name H6   )(resid 29 and name H1'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H2'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H3'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )(resid 29 and name H4'  )  3.40  1.60  1.60
assign (resid 29 and name H6   )
(resid 29 and name H5' or resid 29 and name H5'' )	   3.90  2.10  1.10
assign (resid 29 and name H5   )(resid 28 and name H2'  )  3.90  2.10  2.10
assign (resid 29 and name H5   )(resid 28 and name H3'  )  3.65  1.85  1.35
assign (resid 29 and name H5   )(resid 28 and name H8   )  3.65  1.85  2.35
assign (resid 29 and name H5   )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 29 and name H5   )(resid 29 and name H3'  )  3.40  1.60  2.60

!6 nucleotide TAR loop

assign (resid 30 and name H1' ) (resid 29 and name H2')    2.40  0.60  2.60
assign (resid 30 and name H2' ) (resid 29 and name H2')    2.40  0.60  2.60
assign (resid 30 and name H2'  )(resid 30 and name H1'  )  2.40  0.60  0.60
assign (resid 30 and name H3'  )(resid 30 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H3'  )(resid 30 and name H2'  )  2.40  0.60  0.60
assign (resid 30 and name H4'  )(resid 29 and name H2'  )  2.90  1.10  2.10
assign (resid 30 and name H4'  )(resid 30 and name H1'  )  2.90  1.10  1.10
assign (resid 30 and name H4'  )(resid 30 and name H2'  )  3.40  1.60  1.60
assign (resid 30 and name H4'  )(resid 30 and name H3'  )  2.40  0.60  0.60
assign (resid 30 and name H5' or resid 30 and name H5'' )
(resid 30 and name H3'  ) 			           3.90  2.10  1.10
assign (resid 30 and name H5' or resid 30 and name H5'' )
(resid 30 and name H4'  )  				   3.40  1.60  0.60
assign (resid 30 and name H6   )(resid 29 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 29 and name H2'  )  2.40  0.60  0.60
assign (resid 30 and name H6   )(resid 29 and name H6   )  3.90  2.10  2.10
assign (resid 30 and name H6   )(resid 30 and name H1'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 30 and name H3'  )  3.40  1.60  1.60
assign (resid 30 and name H6   )(resid 30 and name H4'  )  3.40  1.60  2.60
assign (resid 30 and name H5   )(resid 29 and name H41  )  3.90  2.10  2.10
assign (resid 30 and name H5   )(resid 29 and name H42  )  3.90  2.10  2.10
assign (resid 30 and name H5   )(resid 29 and name H5   )  3.65  1.85  2.35

assign (resid 31 and name H2'  )(resid 31 and name H1'  )  2.40  0.60  0.60
assign (resid 31 and name H3'  )(resid 31 and name H1'  )  3.40  1.60  1.60
assign (resid 31 and name H4'  )(resid 31 and name H1'  )  2.90  1.10  1.10
assign (resid 31 and name H4'  )(resid 31 and name H2'  )  3.40  1.60  1.60
assign (resid 31 and name H4'  )(resid 31 and name H3'  )  2.40  0.60  0.60
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 30 and name H2'  )  				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H2'  ) 				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H3'  )  				   3.90  2.10  2.10
assign (resid 31 and name H5' or resid 31 and name H5'' )
(resid 31 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 31 and name H6   )(resid 30 and name H2'  )  3.40  1.60  1.60
assign (resid 31 and name H6   )(resid 30 and name H4'  )  3.40  1.60  1.60
assign (resid 31 and name H6   )(resid 31 and name H1'  )  2.90  1.10  1.10
assign (resid 31 and name H6   )(resid 31 and name H3'  )  2.90  1.10  2.10
assign (resid 31 and name H6   )(resid 31 and name H4'  )  2.90  1.10  2.10
assign (resid 31 and name H6   )
(resid 31 and name H5' or resid 31 and name H5''  ) 	    2.90  1.10  2.10

assign (resid 32 and name H2'  )(resid 32 and name H1'  )  2.40  0.60  0.60
assign (resid 32 and name H3'  )(resid 32 and name H1'  )  3.40  1.60  1.60
assign (resid 32 and name H3'  )(resid 32 and name H2'  )  2.40  0.60  0.60
assign (resid 32 and name H4'  )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 32 and name H4'  )(resid 32 and name H2'  )  3.40  1.60  1.60
assign (resid 32 and name H4'  )(resid 32 and name H3'  )  2.40  0.60  0.60
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 31 and name H2'  ) 				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H1'  )  				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H2'  )				   3.90  2.10  2.10
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H3'  )				   3.40  1.60  1.60
assign (resid 32 and name H5' or resid 32 and name H5'' )
(resid 32 and name H4'  )				   2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H2'  )  2.90  1.10  1.10
assign (resid 32 and name H8   )(resid 32 and name H3'  )  3.40  1.60  1.60
assign (resid 32 and name H8   )(resid 32 and name H4'  )  3.40  1.60  1.60
assign (resid 32 and name H8   )
(resid 32 and name H5' or resid 32 and name H5'' )  	   3.90  2.10  2.10

assign (resid 33 and name H2'  )(resid 33 and name H1'  )  2.40  0.60  0.60
assign (resid 33 and name H3'  )(resid 33 and name H1'  )  3.40  1.60  1.60
assign (resid 33 and name H3'  )(resid 33 and name H2'  )  2.90  1.10  1.10
assign (resid 33 and name H4'  )(resid 33 and name H2'  )  3.40  1.60  1.60
assign (resid 33 and name H4'  )(resid 33 and name H3'  )  2.40  0.60  0.60
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H1'  ) 				   3.90  2.10  1.10
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H3'  ) 				   3.40  1.60  1.60
assign (resid 33 and name H5' or resid 33 and name H5'' )
(resid 33 and name H4'  )  				   2.90  1.10  0.10
assign (resid 33 and name H8   )(resid 32 and name H1'  )  2.90  1.10  1.10
assign (resid 33 and name H8   )(resid 33 and name H1'  )  3.40  1.60  1.60
assign (resid 33 and name H8   )(resid 33 and name H2'  )  2.90  1.10  1.10
assign (resid 33 and name H8   )(resid 33 and name H3'  )  3.40  1.60  1.60
assign (resid 33 and name H8   )(resid 33 and name H4'  )  2.90  1.10  2.10

assign (resid 34 and name H2'  )(resid 34 and name H1'  )  2.40  0.60  0.60
assign (resid 34 and name H3'  )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H3'  )(resid 34 and name H2'  )  2.90  1.10  0.10
assign (resid 34 and name H4'  )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H4'  )(resid 34 and name H3'  )  2.40  0.60  0.60
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H1'  )  				   3.90  2.10  1.10
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H3'  )  				   3.90  2.10  1.10
assign (resid 34 and name H5' or resid 34 and name H5'' )
(resid 34 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 34 and name H8   )(resid 34 and name H1'  )  2.90  1.10  1.10
assign (resid 34 and name H8   )(resid 34 and name H2'  )  2.40  0.60  0.60
assign (resid 34 and name H8   )(resid 34 and name H3'  )  3.40  1.60  1.60
assign (resid 34 and name H8   )
(resid 34 and name H5' or resid 34 and name H5'' )  	   3.90  2.10  2.10

assign (resid 35 and name H2'  )(resid 35 and name H1'  )  2.40  0.60  0.60
assign (resid 35 and name H3'  )(resid 35 and name H1'  )  3.40  1.60  1.60
assign (resid 35 and name H4'  )(resid 35 and name H1'  )  2.90  1.10  1.10
assign (resid 35 and name H4'  )(resid 35 and name H2'  )  2.90  1.10  1.10
assign (resid 35 and name H4'  )(resid 35 and name H3'  )  2.40  0.60  0.60
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 34 and name H3'  )				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H1'  ) 				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H2'  )  				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H3'  )				   3.90  2.10  2.10
assign (resid 35 and name H5' or resid 35 and name H5'' )
(resid 35 and name H4'  ) 				   2.90  1.10  1.10
assign (resid 35 and name H8   )(resid 34 and name H3'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )(resid 35 and name H1'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )(resid 35 and name H2'  )  2.90  1.10  2.10
assign (resid 35 and name H8   )(resid 35 and name H3'  )  2.90  1.10  2.10
assign (resid 35 and name H8   )(resid 35 and name H4'  )  3.40  1.60  1.60
assign (resid 35 and name H8   )
(resid 35 and name H5' or resid 35 and name H5'' ) 	   3.90  2.10  1.10

!upper stem

assign (resid 36 and name H1'  )(resid 34 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H2'  )(resid 36 and name H1'  )  2.40  0.60  0.60
assign (resid 36 and name H3'  )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H3'  )(resid 36 and name H2'  )  2.40  0.60  0.60
assign (resid 36 and name H4'  )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H4'  )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 36 and name H4'  )(resid 36 and name H3'  )  2.40  0.60  0.60
assign (resid 36 and name H5' or resid 36 and name H5'' )
(resid 36 and name H3'  )				   3.90  2.10  1.10
assign (resid 36 and name H5' or resid 36 and name H5'' )
(resid 36 and name H4'  )				   2.90  1.10  0.10
assign (resid 36 and name H8   )(resid 34 and name H1'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H2'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H3'  )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 34 and name H8   )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 35 and name H8   )  3.40  1.60  2.60
assign (resid 36 and name H8   )(resid 36 and name H1'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H3'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )(resid 36 and name H4'  )  3.40  1.60  1.60
assign (resid 36 and name H8   )
(resid 36 and name H5' or resid 36 and name H5'' )         3.90  2.10  1.10
assign (resid 36 and name H1   )(resid 28 and name H1   )  3.40  1.60  1.60
assign (resid 36 and name H1   )(resid 29 and name H41  )  3.90  2.10  2.10
assign (resid 36 and name H1   )(resid 29 and name H42  )  2.90  1.10  1.10
assign (resid 36 and name H1   )(resid 29 and name H5   )  3.90  2.10  2.10
assign (resid 36 and name H1   )(resid 30 and name H1'  )  3.40  1.60  2.60
assign (resid 36 and name H1   )(resid 37 and name H1'  )  3.40  1.60  2.60

assign (resid 37 and name H1'  )(resid 36 and name H2'  )  3.40  1.60  1.60
assign (resid 37 and name H2'  )(resid 37 and name H1'  )  2.40  0.60  0.60
assign (resid 37 and name H3'  )(resid 37 and name H1'  )  2.90  1.10  1.10
assign (resid 37 and name H4'  )(resid 37 and name H1'  )  2.90  1.10  1.10
assign (resid 37 and name H41  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 37 and name H42  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 37 and name H41  )(resid 28 and name H1   )  3.90  1.10  2.10
assign (resid 37 and name H41  )(resid 36 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H42  )(resid 28 and name H1   )  2.90  1.10  1.10
assign (resid 37 and name H42  )(resid 36 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H6   )(resid 36 and name H1'  )  2.90  1.10  2.10
assign (resid 37 and name H6   )(resid 36 and name H2'  )  2.40  0.60  0.60
assign (resid 37 and name H6   )(resid 36 and name H3'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 36 and name H8   )  3.40  1.60  2.60
assign (resid 37 and name H6   )(resid 37 and name H1'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 37 and name H2'  )  3.40  1.60  1.60
assign (resid 37 and name H6   )(resid 37 and name H4'  )  3.40  1.60  1.60
assign (resid 37 and name H5   )(resid 28 and name H1   )  3.90  2.10  2.10
assign (resid 37 and name H5   )(resid 36 and name H2'  )  3.65  1.85  2.35
assign (resid 37 and name H5   )(resid 36 and name H3'  )  3.65  1.85  1.35
assign (resid 37 and name H5   )(resid 36 and name H8   )  3.65  1.85  2.35
assign (resid 37 and name H5   )(resid 36 and name H1   )  3.65  1.85  2.35

assign (resid 38 and name H1'  )(resid 27 and name H2   )  3.90  2.10  2.10
assign (resid 38 and name H1'  )(resid 37 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H2'  )(resid 38 and name H1'  )  2.40  0.60  0.60
assign (resid 38 and name H3'  )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 38 and name H3'  )(resid 38 and name H2'  )  2.40  0.60  0.60
assign (resid 38 and name H4'  )(resid 38 and name H1'  )  2.90  1.10  1.10
assign (resid 38 and name H4'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H5' or resid 38 and name H5'' )
(resid 38 and name H3'  )  				   3.40  1.60  0.60
assign (resid 38 and name H3   )(resid 26 and name H1   )  3.40  1.60  1.60
assign (resid 38 and name H3   )(resid 28 and name H1   )  3.40  1.60  1.60
assign (resid 38 and name H3   )(resid 27 and name H2   )  2.40  0.60  0.60
assign (resid 38 and name H3   )
(resid 27 and name H61 or resid 27 and name H62 )          2.90  1.10  1.10
assign (resid 38 and name H3   )(resid 37 and name H41  )  3.90  2.10  2.10
assign (resid 38 and name H3   )(resid 37 and name H42  )  3.90  2.10  2.10
assign (resid 38 and name H3   )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 38 and name H6   )(resid 37 and name H1'  )  2.90  1.10  2.10
assign (resid 38 and name H6   )(resid 37 and name H2'  )  2.40  0.60  0.60
assign (resid 38 and name H6   )(resid 37 and name H3'  )  2.90  1.10  1.10
assign (resid 38 and name H6   )(resid 37 and name H6   )  3.40  1.60  2.60
assign (resid 38 and name H6   )(resid 37 and name H5   )  3.40  1.60  2.60
assign (resid 38 and name H6   )(resid 38 and name H1'  )  2.90  1.10  1.10
assign (resid 38 and name H6   )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 38 and name H6   )(resid 38 and name H3'  )  2.40  0.60  0.60
assign (resid 38 and name H6   )(resid 38 and name H4'  )  3.40  1.60  1.60
assign (resid 38 and name H5   )(resid 37 and name H2'  )  3.90  2.10  2.10
assign (resid 38 and name H5   )(resid 37 and name H3'  )  3.40  1.60  1.60
assign (resid 38 and name H5   )(resid 37 and name H5   )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 37 and name H6   )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 38 and name H1'  )  3.65  1.85  2.35
assign (resid 38 and name H5   )(resid 38 and name H3   )  3.40  1.60  2.60

assign (resid 39 and name H1'  )(resid 27 and name H2   )  2.40  0.60  0.60
assign (resid 39 and name H1'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H1'  )(resid 38 and name H3   )  3.40  1.60  2.60
assign (resid 39 and name H2'  )(resid 26 and name H22  )  2.40  0.60  3.60
assign (resid 39 and name H2'  )(resid 26 and name H21  )  2.40  0.60  3.60
assign (resid 39 and name H2'  )(resid 39 and name H1'  )  2.40  0.60  0.60
assign (resid 39 and name H3'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H3'  )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H3'  )(resid 39 and name H2'  )  2.40  0.60  0.60
assign (resid 39 and name H4'  )(resid 38 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H4'  )(resid 39 and name H1'  )  2.90  1.10  1.10
assign (resid 39 and name H4'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H4'  )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 38 and name H2'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H1'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H3'  )  				   3.90  2.10  1.10
assign (resid 39 and name H5' or resid 39 and name H5'' )
(resid 39 and name H4'  )  				   3.90  2.10  1.10
assign (resid 39 and name H41  )(resid 26 and name H1   )  3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 26 and name H1   )  2.90  1.10  1.10
assign (resid 39 and name H42  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 39 and name H41  )
(resid 27 and name H61 or resid 27 and name H62) 	  3.90  2.10  2.10
assign (resid 39 and name H42  )
(resid 27 and name H61 or resid 27 and name H62) 	   3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 38 and name H5   )  3.90  2.10  2.10
assign (resid 39 and name H41  )(resid 38 and name H5   )  3.90  2.10  2.10
assign (resid 39 and name H41  )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H42  )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H6   )(resid 38 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 38 and name H2'  )  2.40  0.60  0.60
assign (resid 39 and name H6   )(resid 38 and name H3'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 38 and name H6   )  3.40  1.60  2.60
assign (resid 39 and name H6   )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 39 and name H6   )(resid 39 and name H4'  )  3.40  1.60  1.60
assign (resid 39 and name H6   )
(resid 39 and name H5' or resid 39 and name H5'' )  	   3.90  2.10  0.10
assign (resid 39 and name H5   )
(resid 27 and name H61 or resid 27 and name H62)  	   4.40  2.60  1.60
assign (resid 39 and name H5   )(resid 38 and name H2'  )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 38 and name H3   )  3.90  2.10  2.10
assign (resid 39 and name H5   )(resid 38 and name H6   )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 38 and name H5   )  3.65  1.85  2.35
assign (resid 39 and name H5   )(resid 39 and name H1'  )  3.65  1.85  2.35

!lower stem

assign (resid 40 and name H1'  )(resid 26 and name H22  )  3.90  2.10  2.10
assign (resid 40 and name H1'  )(resid 26 and name H21  )  3.90  2.10  2.10
assign (resid 40 and name H1'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H1'  )(resid 39 and name H3'  )  3.40  1.60  1.60
assign (resid 40 and name H2'  )(resid 26 and name H22  )  2.40  0.60  3.60
assign (resid 40 and name H2'  )(resid 26 and name H21  )  2.40  0.60  3.60
assign (resid 40 and name H2'  )(resid 40 and name H1'  )  2.40  0.60  0.60
assign (resid 40 and name H3'  )(resid 39 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H3'  )(resid 40 and name H1'  )  2.90  1.10  1.10
assign (resid 40 and name H3'  )(resid 40 and name H2'  )  2.40  0.60  0.60
assign (resid 40 and name H4'  )(resid 40 and name H1'  )  2.90  1.10  1.10
assign (resid 40 and name H4'  )(resid 40 and name H2'  )  2.90  1.10  1.10
assign (resid 40 and name H5' or resid 40 and name H5'' )
(resid 39 and name H2'  )  				   3.90  2.10  1.10
assign (resid 40 and name H5' or resid 40 and name H5'' )
(resid 40 and name H3'  )  				   3.90  2.10  1.10
assign (resid 40 and name H3   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 40 and name H3   )(resid 22 and name H2   )  2.90  1.10  1.10
assign (resid 40 and name H3   )(resid 26 and name H1   )  3.40  1.60  1.60
assign (resid 40 and name H3   )(resid 39 and name H5   )  2.90  1.10  2.10
assign (resid 40 and name H3   )(resid 39 and name H42  )  3.90  2.10  2.10
assign (resid 40 and name H6   )(resid 39 and name H1'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 39 and name H2'  )  2.40  0.60  0.60
assign (resid 40 and name H6   )(resid 39 and name H3'  )  2.90  1.10  1.10
assign (resid 40 and name H6   )(resid 39 and name H6   )  3.40  1.60  2.60
assign (resid 40 and name H6   )(resid 40 and name H1'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 40 and name H6   )(resid 40 and name H3'  )  2.90  1.10  1.10
assign (resid 40 and name H6   )(resid 40 and name H4'  )  3.40  1.60  1.60
assign (resid 40 and name H5   )(resid 39 and name H2'  )  3.40  1.60  2.60
assign (resid 40 and name H5   )(resid 39 and name H3'  )  3.15  1.35  1.85
assign (resid 40 and name H5   )(resid 39 and name H5   )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 39 and name H6   )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 40 and name H1'  )  3.65  1.85  2.35
assign (resid 40 and name H5   )(resid 40 and name H3'  )  3.65  1.85  2.35

assign (resid 41 and name H1'  )(resid 22 and name H2   )  2.90  1.10  1.10
assign (resid 41 and name H1'  )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H2'  )(resid 41 and name H1'  )  2.40  0.60  0.60
assign (resid 41 and name H3'  )(resid 40 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H3'  )(resid 41 and name H1'  )  2.90  1.10  1.10
assign (resid 41 and name H3'  )(resid 41 and name H2'  )  2.40  0.60  0.60
assign (resid 41 and name H41  )(resid 21 and name H1   )  3.90  2.10  2.10
assign (resid 41 and name H42  )(resid 21 and name H1   )  2.90  1.10  1.10
assign (resid 41 and name H42  )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 41 and name H42  )(resid 40 and name H3   )  3.90  2.10  2.10
assign (resid 41 and name H41  )(resid 40 and name H5   )  2.90  1.10  1.10
assign (resid 41 and name H42  )(resid 40 and name H5   )  3.90  2.10  2.10
assign (resid 41 and name H6   )(resid 40 and name H1'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 40 and name H2'  )  2.40  0.60  0.60
assign (resid 41 and name H6   )(resid 40 and name H3'  )  2.90  1.10  1.10
assign (resid 41 and name H6   )(resid 40 and name H6   )  3.40  1.60  2.60
assign (resid 41 and name H6   )(resid 41 and name H1'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 41 and name H2'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )(resid 41 and name H3'  )  2.90  1.10  1.10
assign (resid 41 and name H6   )(resid 41 and name H4'  )  3.40  1.60  1.60
assign (resid 41 and name H6   )
(resid 41 and name H5' or resid 41 and name H5'' )  	   3.90  2.10  1.10
assign (resid 41 and name H5   )(resid 21 and name H1   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H2'  )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3'  )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H6   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H3   )  3.65  1.85  2.35
assign (resid 41 and name H5   )(resid 40 and name H5   )  3.65  1.85  2.35

assign (resid 42 and name H1'  )(resid 21 and name H22  )  3.90  2.10  2.10
assign (resid 42 and name H1'  )(resid 21 and name H21  )  3.90  2.10  2.10
assign (resid 42 and name H2'  )(resid 42 and name H1'  )  2.40  0.60  0.60
assign (resid 42 and name H3'  )(resid 41 and name H2'  )  3.40  1.60  1.60
assign (resid 42 and name H3'  )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H3'  )(resid 42 and name H2'  )  2.40  0.60  0.60
assign (resid 42 and name H4'  )(resid 42 and name H1'  )  2.90  1.10  1.10
assign (resid 42 and name H4'  )(resid 42 and name H3'  )  2.40  0.60  0.60
assign (resid 42 and name H5' or resid 42 and name H5'' )
(resid 41 and name H2'  )  				   3.90  2.10  1.10
assign (resid 42 and name H5' or resid 42 and name H5'' )
(resid 42 and name H3'  )  				   3.40  1.60  1.60
assign (resid 42 and name H3   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H3   )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 42 and name H3   )(resid 21 and name H1   )  3.40  1.60  1.60
assign (resid 42 and name H3   )(resid 41 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H3   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 41 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 41 and name H2'  )  2.90  1.10  1.10
assign (resid 42 and name H6   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 42 and name H6   )(resid 42 and name H2'  )  2.90  1.10  2.10
assign (resid 42 and name H6   )(resid 42 and name H3'  )  2.90  1.10  1.10
assign (resid 42 and name H5   )(resid 21 and name H1   )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 41 and name H2'  )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 41 and name H3'  )  3.65  1.85  1.35
assign (resid 42 and name H5   )(resid 41 and name H41  )  3.90  2.10  2.10
assign (resid 42 and name H5   )(resid 41 and name H42  )  3.90  2.10  2.10
assign (resid 42 and name H5   )(resid 41 and name H5   )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 42 and name H3'  )  3.65  1.85  2.35
assign (resid 42 and name H5   )(resid 42 and name H3   )  3.90  2.10  2.10

assign (resid 43 and name H1'  )(resid 20 and name H2   )  2.90  1.10  1.10
assign (resid 43 and name H1'  )(resid 42 and name H2'  )  3.40  1.60  1.60
assign (resid 43 and name H2'  )(resid 43 and name H1'  )  2.40  0.60  0.60
assign (resid 43 and name H3'  )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H3'  )(resid 43 and name H2'  )  2.40  0.60  0.60
assign (resid 43 and name H4'  )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H4'  )(resid 43 and name H2'  )  2.90  1.10  1.10
assign (resid 43 and name H4'  )(resid 43 and name H3'  )  2.40  0.60  0.60
assign (resid 43 and name H5' or resid 43 and name H5'' )
(resid 43 and name H3'  )  				   3.90  2.10  1.10
assign (resid 43 and name H5' or resid 43 and name H5'' )
(resid 43 and name H4'  ) 				   2.90  1.10  0.10
assign (resid 43 and name H8   )(resid 42 and name H1'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )(resid 42 and name H2'  )  2.40  0.60  0.60
assign (resid 43 and name H8   )(resid 42 and name H3'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 42 and name H6   )  3.40  1.60  2.60
assign (resid 43 and name H8   )(resid 43 and name H1'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 43 and name H2'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )(resid 43 and name H3'  )  2.90  1.10  1.10
assign (resid 43 and name H8   )(resid 43 and name H4'  )  3.40  1.60  1.60
assign (resid 43 and name H8   )
(resid 43 and name H5' or resid 43 and name H5'' )         3.90  2.10  1.10
assign (resid 43 and name H1   )(resid 18 and name H41  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 18 and name H42  )  2.90  1.10  1.10
assign (resid 43 and name H1   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 44 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 19 and name H5   )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 20 and name H2   )  3.90  2.10  2.10
assign (resid 43 and name H1   )(resid 42 and name H3   )  3.40  1.60  1.60
assign (resid 43 and name H22  )(resid 20 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H21  )(resid 20 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H22  )(resid 44 and name H1'  )  3.90  2.10  2.10
assign (resid 43 and name H21  )(resid 44 and name H1'  )  3.90  2.10  2.10

assign (resid 44 and name H1'  )(resid 43 and name H2'  )  2.90  1.10  1.10
assign (resid 44 and name H2'  )(resid 44 and name H1'  )  2.40  0.60  0.60
assign (resid 44 and name H3'  )(resid 44 and name H1'  )  2.90  1.10  1.10
assign (resid 44 and name H4'  )(resid 44 and name H1'  )  3.40  1.60  1.60
assign (resid 44 and name H4'  )(resid 44 and name H3'  )  2.40  0.60  0.60
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 43 and name H2'  )  				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 43 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H1'  )  				   3.90  2.10  1.10
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H3'  )  				   3.40  1.60  0.60
assign (resid 44 and name H5' or resid 44 and name H5'' )
(resid 44 and name H4'  )  				   2.90  1.10  0.10
assign (resid 44 and name H8   )(resid 43 and name H1'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )(resid 43 and name H2'  )  2.40  0.60  0.60
assign (resid 44 and name H8   )(resid 43 and name H3'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 43 and name H8   )  3.40  1.60  2.60
assign (resid 44 and name H8   )(resid 44 and name H1'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 44 and name H2'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )(resid 44 and name H3'  )  2.90  1.10  1.10
assign (resid 44 and name H8   )(resid 44 and name H4'  )  3.40  1.60  1.60
assign (resid 44 and name H8   )
(resid 44 and name H5' or resid 44 and name H5'' )  	   3.90  2.10  1.10
assign (resid 44 and name H1   )(resid 17 and name H1   )  2.90  1.10  1.10
assign (resid 44 and name H1   )(resid 18 and name H41  )  3.40  1.60  2.60
assign (resid 44 and name H1   )(resid 18 and name H42  )  2.90  1.10  1.10
assign (resid 44 and name H1   )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 19 and name H42  )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 19 and name H5   )  3.90  2.10  2.10
assign (resid 44 and name H1   )(resid 43 and name H1   )  3.40  1.60  1.60

assign (resid 45 and name H1'  )(resid 44 and name H2'  )  3.40  1.60  1.60
assign (resid 45 and name H2'  )(resid 45 and name H1'  )  2.40  0.60  0.60
assign (resid 45 and name H3'  )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H3'  )(resid 45 and name H2'  )  2.40  0.60  0.60
assign (resid 45 and name H4'  )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H4'  )(resid 45 and name H2'  )  2.90  1.10  1.10
assign (resid 45 and name H4'  )(resid 45 and name H3'  )  2.40  0.60  0.60
assign (resid 45 and name H5' or resid 45 and name H5'' )
(resid 45 and name H3'  )				   3.90  2.10  1.10
assign (resid 45 and name H5' or resid 45 and name H5'' )
(resid 45 and name H4'  ) 				   3.40  1.60  0.60
assign (resid 45 and name H41  )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 17 and name H1   )  2.90  1.10  1.10
assign (resid 45 and name H42  )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 18 and name H5   )  3.90  2.10  2.10
assign (resid 45 and name H42  )(resid 44 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H6   )(resid 44 and name H1'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )(resid 44 and name H2'  )  2.40  0.60  0.60
assign (resid 45 and name H6   )(resid 44 and name H3'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 44 and name H8   )  3.40  1.60  2.60
assign (resid 45 and name H6   )(resid 45 and name H1'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )(resid 45 and name H3'  )  2.90  1.10  1.10
assign (resid 45 and name H6   )(resid 45 and name H4'  )  3.40  1.60  1.60
assign (resid 45 and name H6   )
(resid 45 and name H5' or resid 45 and name H5'' )  	   3.90  2.10  1.10
assign (resid 45 and name H5   )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 18 and name H42  )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 44 and name H2'  )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H3'  )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H8   )  3.65  1.85  2.35
assign (resid 45 and name H5   )(resid 44 and name H1   )  3.90  2.10  2.10
assign (resid 45 and name H5   )(resid 45 and name H3'  )  3.65  1.85  2.35

assign (resid 46 and name H1'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H2'  )(resid 46 and name H1'  )  2.40  0.60  0.60
assign (resid 46 and name H3'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H3'  )(resid 46 and name H1'  )  2.90  1.10  1.10
assign (resid 46 and name H3'  )(resid 46 and name H2'  )  2.40  0.60  0.60
assign (resid 46 and name H4'  )(resid 45 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H4'  )(resid 46 and name H1'  )  2.90  1.10  1.10
assign (resid 46 and name H4'  )(resid 46 and name H2'  )  2.90  1.10  1.10
assign (resid 46 and name H4'  )(resid 46 and name H3'  )  2.40  0.60  0.60
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 45 and name H2'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 45 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 46 and name H3'  ) 				   3.90  2.10  1.10
assign (resid 46 and name H5' or resid 46 and name H5'' )
(resid 46 and name H4'  ) 				   3.40  1.60  0.60
assign (resid 46 and name H6   )(resid 45 and name H2'  )  2.40  0.60  0.60
assign (resid 46 and name H6   )(resid 45 and name H3'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )(resid 46 and name H1'  )  3.40  1.60  1.60
assign (resid 46 and name H6   )(resid 46 and name H2'  )  3.40  1.60  1.60
assign (resid 46 and name H6   )(resid 46 and name H3'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )(resid 46 and name H4'  )  2.90  1.10  1.10
assign (resid 46 and name H6   )
(resid 46 and name H5' or resid 46 and name H5'' ) 	   3.90  2.10  1.10
assign (resid 46 and name H5   )(resid 17 and name H1   )  3.90  2.10  2.10
assign (resid 46 and name H5   )(resid 45 and name H2'  )  3.65  1.85  2.35
assign (resid 46 and name H5   )(resid 45 and name H3'  )  3.65  1.85  2.35
assign (resid 46 and name H5   )(resid 45 and name H5   )  3.65  1.85  2.35
assign (resid 46 and name H42  )(resid 16 and name H1   )  3.65  2.35  2.35

! intermolecular argininamide noes
! residue number 47 is the argininamide 
! no intramolecular argininamide noes were used

assign (resid 47 and name HC1  )(resid 38 and name H5   )  3.40  1.60  2.60
assign (resid 47 and name HC2  )(resid 38 and name H5   )  3.40  1.60  2.60

assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 27 and name H61 or resid 27 and name H61) 	   3.90  2.10  2.10
assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 39 and name H41  ) 				   3.90  2.10  2.10
assign (resid 47 and name HB1 or resid 47 and name HB2  )
(resid 39 and name H42  ) 				   3.40  1.60  2.60

assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 22 and name H8   )  				   3.40  1.60  1.60
assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 23 and name H5   )  				   2.90  1.10  1.10
assign (resid 47 and name HG1 or resid 47 and name HG2  )
(resid 23 and name H6   ) 				   3.90  2.10  2.10

assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 22 and name H8   ) 				   3.40  1.60  1.60
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 23 and name H5   )				   2.90  1.10  1.10
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 39 and name H41  ) 				   3.40  1.60  2.60
assign (resid 47 and name HD1 or resid 47 and name HD2  )
(resid 39 and name H42  ) 				   3.40  1.60  2.60

assign (resid 47 and name HE   )(resid 22 and name H2'  )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 22 and name H3'  )  3.90  2.10  1.10
assign (resid 47 and name HE   )(resid 22 and name H8   )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 23 and name H6   )  3.90  2.10  2.10
assign (resid 47 and name HE   )(resid 23 and name H5   )  3.90  2.10  2.10

assign (resid 47 and name HH11 or resid 47 and name HH12 or resid 47 
and name HH21 or resid 47 and name HH22)
(resid 22 and name H8)					    2.50  0.70  2.50
assign (resid 47 and name HH11 or resid 47 and name HH12 or resid 47 
and name HH21 or resid 47 and name HH22)
(resid 26 and name H8)					    2.50  0.70  2.50

set echo = on end
set message = on end


! H-bonding distances restraints
set echo = off end
set message = off end

assign (resid 16 and name O6   )(resid 46 and name H42  )  1.91  0.20  0.20
assign (resid 16 and name O6   )(resid 46 and name N4   )  2.91  0.20  0.20

assign (resid 16 and name H1   )(resid 46 and name N3   )  1.95  0.20  0.20
assign (resid 16 and name N1   )(resid 46 and name N3   )  2.95  0.20  0.20

assign (resid 16 and name H22  )(resid 46 and name O2   )  1.86  0.20  0.20
assign (resid 16 and name N2   )(resid 46 and name O2   )  2.86  0.20  0.20

assign (resid 17 and name O6   )(resid 45 and name H42  )  1.91  0.20  0.20
assign (resid 17 and name O6   )(resid 45 and name N4   )  2.91  0.20  0.20

assign (resid 17 and name H1   )(resid 45 and name N3   )  1.95  0.20  0.20
assign (resid 17 and name N1   )(resid 45 and name N3   )  2.95  0.20  0.20

assign (resid 17 and name H22  )(resid 45 and name O2   )  1.86  0.20  0.20
assign (resid 17 and name N2   )(resid 45 and name O2   )  2.86  0.20  0.20

assign (resid 18 and name H42  )(resid 44 and name O6   )  1.91  0.20  0.20
assign (resid 18 and name N4   )(resid 44 and name O6   )  2.91  0.20  0.20

assign (resid 18 and name N3   )(resid 44 and name H1   )  1.95  0.20  0.20
assign (resid 18 and name N3   )(resid 44 and name N1   )  2.95  0.20  0.20

assign (resid 18 and name O2   )(resid 44 and name H22  )  1.86  0.20  0.20
assign (resid 18 and name O2   )(resid 44 and name N2   )  2.86  0.20  0.20

assign (resid 19 and name H42  )(resid 43 and name O6   )  1.91  0.20  0.20
assign (resid 19 and name N4   )(resid 43 and name O6   )  2.91  0.20  0.20

assign (resid 19 and name N3   )(resid 43 and name H1   )  1.95  0.20  0.20
assign (resid 19 and name N3   )(resid 43 and name N1   )  2.95  0.20  0.20

assign (resid 19 and name O2   )(resid 43 and name H22  )  1.86  0.20  0.20
assign (resid 19 and name O2   )(resid 43 and name N2   )  2.86  0.20  0.20

assign (resid 20 and name N1   )(resid 42 and name H3   )  1.70  0.20  0.20
assign (resid 20 and name N1   )(resid 42 and name N3   )  2.70  0.20  0.20

assign (resid 20 and name H62  )(resid 42 and name O4   )  1.95  0.20  0.20
assign (resid 20 and name N6   )(resid 42 and name O4   )  2.95  0.20  0.20

assign (resid 21 and name O6   )(resid 41 and name H42  )  1.91  0.20  0.20
assign (resid 21 and name O6   )(resid 41 and name N4   )  2.91  0.20  0.20

assign (resid 21 and name H1   )(resid 41 and name N3   )  1.95  0.20  0.20
assign (resid 21 and name N1   )(resid 41 and name N3   )  2.95  0.20  0.20

assign (resid 21 and name H22  )(resid 41 and name O2   )  1.86  0.20  0.20
assign (resid 21 and name N2   )(resid 41 and name O2   )  2.86  0.20  0.20

assign (resid 22 and name N1   )(resid 40 and name H3   )  1.70  0.20  0.20
assign (resid 22 and name N1   )(resid 40 and name N3   )  2.70  0.20  0.20

assign (resid 22 and name H62  )(resid 40 and name O4   )  1.95  0.20  0.20
assign (resid 22 and name N6   )(resid 40 and name O4   )  2.95  0.20  0.20

assign (resid 26 and name O6   )(resid 39 and name H42  )  1.91  0.20  0.20
assign (resid 26 and name O6   )(resid 39 and name N4   )  2.91  0.20  0.20

assign (resid 26 and name H1   )(resid 39 and name N3   )  1.95  0.20  0.20
assign (resid 26 and name N1   )(resid 39 and name N3   )  2.95  0.20  0.20

assign (resid 26 and name H22  )(resid 39 and name O2   )  1.86  0.20  0.20
assign (resid 26 and name N2   )(resid 39 and name O2   )  2.86  0.20  0.20

assign (resid 27 and name N1   )(resid 38 and name H3   )  1.70  0.20  0.20
assign (resid 27 and name N1   )(resid 38 and name N3   )  2.70  0.20  0.20

assign (resid 27 and name H62  )(resid 38 and name O4   )  1.95  0.20  0.20
assign (resid 27 and name N6   )(resid 38 and name O4   )  2.95  0.20  0.20

assign (resid 28 and name O6   )(resid 37 and name H42  )  1.91  0.20  0.20
assign (resid 28 and name O6   )(resid 37 and name N4   )  2.91  0.20  0.20

assign (resid 28 and name H1   )(resid 37 and name N3   )  1.95  0.20  0.20
assign (resid 28 and name N1   )(resid 37 and name N3   )  2.95  0.20  0.20

assign (resid 28 and name H22  )(resid 37 and name O2   )  1.86  0.20  0.20
assign (resid 28 and name N2   )(resid 37 and name O2   )  2.86  0.20  0.20

assign (resid 29 and name H42  )(resid 36 and name O6   )  1.91  0.20  0.20
assign (resid 29 and name N4   )(resid 36 and name O6   )  2.91  0.20  0.20

assign (resid 29 and name N3   )(resid 36 and name H1   )  1.95  0.20  0.20
assign (resid 29 and name N3   )(resid 36 and name N1   )  2.95  0.20  0.20

assign (resid 29 and name O2   )(resid 36 and name H22  )  1.86  0.20  0.20
assign (resid 29 and name O2   )(resid 36 and name N2   )  2.86  0.20  0.20

set echo = on end
set message = on end

restraints
        dihedral

        reset
!non-A helix deltas - C2' endo puckers
!removed A35 pucker restraint ... weak cosy and very weak DQ - HAHB restraint
!c2'endo puckers

        assign  (resid 23 and name C1')
                (resid 23 and name C2')
                (resid 23 and name C3')
                (resid 23 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 23 and name C3')
                (resid 23 and name C4')
                (resid 23 and name O4')
                (resid 23 and name C1') 1.0 0.0 5.0 2

        assign  (resid 25 and name C1')
                (resid 25 and name C2')
                (resid 25 and name C3')
                (resid 25 and name C4') 1.0 -40.0 5.0 2
        
        assign  (resid 25 and name C3')
                (resid 25 and name C4')
                (resid 25 and name O4')
                (resid 25 and name C1') 1.0 0.0 5.0 2

        assign  (resid 30 and name C1')
                (resid 30 and name C2')
                (resid 30 and name C3')
                (resid 30 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 30 and name C3')
                (resid 30 and name C4')
                (resid 30 and name O4')
                (resid 30 and name C1') 1.0 0.0 5.0 2
        
        assign  (resid 31 and name C1')
                (resid 31 and name C2')
                (resid 31 and name C3')
                (resid 31 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 31 and name C3')
                (resid 31 and name C4')
                (resid 31 and name O4')
                (resid 31 and name C1') 1.0 0.0 5.0 2
        
        assign  (resid 32 and name C1')
                (resid 32 and name C2')
                (resid 32 and name C3')
                (resid 32 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 33 and name C3')
                (resid 33 and name C4')
                (resid 33 and name O4')
                (resid 33 and name C1') 1.0 0.0 5.0 2

        assign  (resid 33 and name C1')
                (resid 33 and name C2')
                (resid 33 and name C3')
                (resid 33 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 34 and name C1')
                (resid 34 and name C2')
                (resid 34 and name C3')
                (resid 34 and name C4') 1.0 -40.0 5.0 2

        assign  (resid 34 and name C3')
                (resid 34 and name C4')
                (resid 34 and name O4')
                (resid 34 and name C1') 1.0 0.0 5.0 2

!A- helix deltas and nu2 only for C3' endo pucker 
        assign  (resid 16 and name C5')
                (resid 16 and name C4')
                (resid 16 and name C3')
                (resid 16 and name O3') 1.0 82.0 5.0 2
        
        assign  (resid 16 and name C1')
                (resid 16 and name C2')
                (resid 16 and name C3')
                (resid 16 and name C4') 1.0 38.0 5.0 2
        
        assign  (resid 17 and name C5')
                (resid 17 and name C4')
                (resid 17 and name C3')
                (resid 17 and name O3') 1.0 82.0  5.0 2
        
        assign  (resid 17 and name C1')
                (resid 17 and name C2')
                (resid 17 and name C3')
                (resid 17 and name C4') 1.0 38.0  5.0 2

        assign  (resid 18 and name C5')
                (resid 18 and name C4')
                (resid 18 and name C3')
                (resid 18 and name O3') 1.0 82.0  5.0 2

        assign  (resid 18 and name C1')
                (resid 18 and name C2')
                (resid 18 and name C3')
                (resid 18 and name C4') 1.0 38.0  5.0 2

        assign  (resid 19 and name C5')
                (resid 19 and name C5')
                (resid 19 and name C3')
                (resid 19 and name O3') 1.0 82.0  5.0 2

        assign  (resid 19 and name C1')
                (resid 19 and name C2')
                (resid 19 and name C3')
                (resid 19 and name C4') 1.0 38.0  5.0 2
        
        assign  (resid 20 and name C5')
                (resid 20 and name C4')
                (resid 20 and name C3')
                (resid 20 and name O3') 1.0 82.0  5.0 2

        assign  (resid 20 and name C1')
                (resid 20 and name C2')
                (resid 20 and name C3')
                (resid 20 and name C4') 1.0 38.0  5.0 2

        assign  (resid 21 and name C5')
                (resid 21 and name C4')
                (resid 21 and name C3')
                (resid 21 and name O3') 1.0 82.0  5.0 2

        assign  (resid 21 and name C1')
                (resid 21 and name C2')
                (resid 21 and name C3')
                (resid 21 and name C4') 1.0 38.0  5.0 2

        assign  (resid 22 and name C5')
                (resid 22 and name C4')
                (resid 22 and name C3')
                (resid 22 and name O3') 1.0 82.0  5.0 2

        assign  (resid 22 and name C1')
                (resid 22 and name C2')
                (resid 22 and name C3')
                (resid 22 and name C4') 1.0 38.0  5.0 2

        assign  (resid 26 and name C5')
                (resid 26 and name C4')
                (resid 26 and name C3')
                (resid 26 and name O3') 1.0 82.0  5.0 2

        assign  (resid 26 and name C1')
                (resid 26 and name C2')
                (resid 26 and name C3')
                (resid 26 and name C4') 1.0 38.0  5.0 2

        
        assign  (resid 27 and name C5')
                (resid 27 and name C4')
                (resid 27 and name C3')
                (resid 27 and name O3') 1.0 82.0  5.0 2

        assign  (resid 27 and name C1')
                (resid 27 and name C2')
                (resid 27 and name C3')
                (resid 27 and name C4') 1.0 38.0  5.0 2

        assign  (resid 28 and name C5')
                (resid 28 and name C4')
                (resid 28 and name C3')
                (resid 28 and name O3') 1.0 82.0  5.0 2

        assign  (resid 28 and name C1')
                (resid 28 and name C2')
                (resid 28 and name C3')
                (resid 28 and name C4') 1.0 38.0  5.0 2

        assign  (resid 29 and name C5')
                (resid 29 and name C4')
                (resid 29 and name C3')
                (resid 29 and name O3') 1.0 82.0  5.0 2
        
        assign  (resid 29 and name C1')
                (resid 29 and name C2')
                (resid 29 and name C3')
                (resid 29 and name C4') 1.0 38.0  5.0 2

        assign  (resid 36 and name C5')
                (resid 36 and name C4')
                (resid 36 and name C3')
                (resid 36 and name O3') 1.0 82.0  5.0 2

        assign  (resid 36 and name C1')
                (resid 36 and name C2')
                (resid 36 and name C3')
                (resid 36 and name C4') 1.0 38.0  5.0 2

        assign  (resid 37 and name C5')
                (resid 37 and name C4')
                (resid 37 and name C3')
                (resid 37 and name O3') 1.0 82.0  5.0 2

        assign  (resid 37 and name C1')
                (resid 37 and name C2')
                (resid 37 and name C3')
                (resid 37 and name C4') 1.0 38.0  5.0 2

        assign  (resid 38 and name C5')
                (resid 38 and name C4')
                (resid 38 and name C3')
                (resid 38 and name O3') 1.0 82.0  5.0 2

        assign  (resid 39 and name C5')
                (resid 39 and name C4')
                (resid 39 and name C3')
                (resid 39 and name O3') 1.0 82.0  5.0 2

        assign  (resid 39 and name C1')
                (resid 39 and name C2')
                (resid 39 and name C3')
                (resid 39 and name C4') 1.0 38.0  5.0 2

        assign  (resid 40 and name C5')
                (resid 40 and name C4')
                (resid 40 and name C3')
                (resid 40 and name O3') 1.0 82.0  5.0 2

        assign  (resid 40 and name C1')
                (resid 40 and name C2')
                (resid 40 and name C3')
                (resid 40 and name C4') 1.0 38.0  5.0 2

        assign  (resid 41 and name C5')
                (resid 41 and name C4')
                (resid 41 and name C3')
                (resid 41 and name O3') 1.0 82.0  5.0 2

        assign  (resid 41 and name C1')
                (resid 41 and name C2')
                (resid 41 and name C3')
                (resid 41 and name C4') 1.0 38.0  5.0 2

        assign  (resid 42 and name C5')
                (resid 42 and name C4')
                (resid 42 and name C3')
                (resid 42 and name O3') 1.0 82.0  5.0 2

        assign  (resid 42 and name C1')
                (resid 42 and name C2')
                (resid 42 and name C3')
                (resid 42 and name C4') 1.0 38.0  5.0 2
        
        assign  (resid 43 and name C5')
                (resid 43 and name C4')
                (resid 43 and name C3')
                (resid 43 and name O3') 1.0 82.0  5.0 2

        assign  (resid 43 and name C1')
                (resid 43 and name C2')
                (resid 43 and name C3')
                (resid 43 and name C4') 1.0 38.0  5.0 2

        assign  (resid 44 and name C5')
                (resid 44 and name C4')
                (resid 44 and name C3')
                (resid 44 and name O3') 1.0 82.0  5.0 2

        assign  (resid 44 and name C1')
                (resid 44 and name C2')
                (resid 44 and name C3')
                (resid 44 and name C4') 1.0 38.0  5.0 2

        assign  (resid 45 and name C5')
                (resid 45 and name C4')
                (resid 45 and name C3')
                (resid 45 and name O3') 1.0 82.0  5.0 2

        assign  (resid 45 and name C1')
                (resid 45 and name C2')
                (resid 45 and name C3')
                (resid 45 and name C4') 1.0 38.0  5.0 2

        assign  (resid 46 and name C5')
                (resid 46 and name C4')
                (resid 46 and name C3')
                (resid 46 and name O3') 1.0 82.0  5.0 2

        assign  (resid 46 and name C1')
                (resid 46 and name C2')
                (resid 46 and name C3')
                (resid 46 and name C4') 1.0 38.0  5.0 2

!gamma torsions ... restrain G26 to be not gauche+

        assign  (resid 26 and name O5')
                (resid 26 and name C5')
                (resid 26 and name C4')
                (resid 26 and name C3') 1.0 -130.0 110.0 2

!beta torsions ... for H5' and H5'' HP xpeaks

        assign  (resid 23 and name P)
                (resid 23 and name O5')
                (resid 23 and name C5')
                (resid 23 and name C4') 1.0 -15.0 135.0 2

        
        assign  (resid 25 and name P)
                (resid 25 and name O5')
                (resid 25 and name C5')
                (resid 25 and name C4') 1.0 -15.0 135.0 2

        assign  (resid 26 and name P)
                (resid 26 and name O5')
                (resid 26 and name C5')
                (resid 26 and name C4') 1.0 -15.0 135.0 2

end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G  16          1H5*        G  16   2.385  26.089  -2.694
    2   2H5*    G  16          2H5*        G  16   0.724  25.484  -2.799
    3    H4*    G  16           H4*        G  16   2.164  26.512  -0.364
    4    H3*    G  16           H3*        G  16   1.343  23.755  -1.213
    5   1H2*    G  16          1H2*        G  16   0.758  23.233   1.055
    6   2HO*    G  16          2HO*        G  16   2.452  24.241   2.152
    7    H1*    G  16           H1*        G  16  -0.616  25.599   1.558
    8    H8     G  16           H8         G  16  -1.291  24.794  -2.010
    9    H1     G  16           H1         G  16  -4.760  21.255   2.086
   10   1H2     G  16           H21        G  16  -2.615  22.519   4.504
   11   2H2     G  16           H22        G  16  -3.982  21.492   4.133
   12    H5T    G  16           H5T        G  16   0.014  27.588  -2.215
   13   1H5*    G  17          1H5*        G  17   3.700  20.211   1.275
   14   2H5*    G  17          2H5*        G  17   2.146  20.481   0.461
   15    H4*    G  17           H4*        G  17   2.730  20.909   3.386
   16    H3*    G  17           H3*        G  17   1.399  18.636   1.955
   17   1H2*    G  17          1H2*        G  17  -0.208  18.450   3.741
   18   2HO*    G  17          2HO*        G  17   0.661  18.968   5.645
   19    H1*    G  17           H1*        G  17  -0.849  21.124   3.713
   20    H8     G  17           H8         G  17  -0.036  20.919   0.211
   21    H1     G  17           H1         G  17  -5.322  17.506   1.537
   22   1H2     G  17           H21        G  17  -4.319  17.828   4.843
   23   2H2     G  17           H22        G  17  -5.499  17.205   3.712
   24   1H5*    C  18          1H5*        C  18   2.554  15.821   5.868
   25   2H5*    C  18          2H5*        C  18   1.592  16.456   4.519
   26    H4*    C  18           H4*        C  18   0.652  16.537   7.375
   27    H3*    C  18           H3*        C  18   0.413  14.236   5.458
   28   1H2*    C  18          1H2*        C  18  -1.845  13.899   6.194
   29   2HO*    C  18          2HO*        C  18  -2.578  14.636   8.084
   30    H1*    C  18           H1*        C  18  -2.552  16.610   6.186
   31   1H4     C  18           H41        C  18  -2.854  14.867  -0.163
   32   2H4     C  18           H42        C  18  -4.361  14.299   0.523
   33    H5     C  18           H5         C  18  -1.064  15.799   1.179
   34    H6     C  18           H6         C  18  -0.347  16.341   3.448
   35   1H5*    C  19          1H5*        C  19  -1.149  10.267   8.575
   36   2H5*    C  19          2H5*        C  19  -1.182  10.546   6.823
   37    H4*    C  19           H4*        C  19  -3.261  11.173   8.890
   38    H3*    C  19           H3*        C  19  -3.210   9.449   6.440
   39   1H2*    C  19          1H2*        C  19  -5.502  10.024   5.974
   40   2HO*    C  19          2HO*        C  19  -5.491  11.504   8.415
   41    H1*    C  19           H1*        C  19  -5.181  12.743   6.295
   42   1H4     C  19           H41        C  19  -1.932  11.576   0.673
   43   2H4     C  19           H42        C  19  -3.617  11.475   0.219
   44    H5     C  19           H5         C  19  -1.197  11.794   2.973
   45    H6     C  19           H6         C  19  -1.931  11.946   5.293
   46   1H5*    A  20          1H5*        A  20  -6.956   8.596   7.453
   47   2H5*    A  20          2H5*        A  20  -6.889   6.953   8.119
   48    H4*    A  20           H4*        A  20  -8.667   6.870   6.653
   49    H3*    A  20           H3*        A  20  -6.238   5.744   5.285
   50   1H2*    A  20          1H2*        A  20  -7.585   5.366   3.326
   51   2HO*    A  20          2HO*        A  20  -9.783   5.473   3.357
   52    H1*    A  20           H1*        A  20  -8.779   7.880   3.346
   53    H8     A  20           H8         A  20  -5.368   8.612   4.536
   54   1H6     A  20           H61        A  20  -3.016   8.777   0.283
   55   2H6     A  20           H62        A  20  -3.444   8.293  -1.342
   56    H2     A  20           H2         A  20  -7.608   6.619  -1.152
   57   1H5*    G  21          1H5*        G  21  -9.496   2.956   4.914
   58   2H5*    G  21          2H5*        G  21  -8.927   1.280   4.777
   59    H4*    G  21           H4*        G  21 -10.301   2.067   2.869
   60    H3*    G  21           H3*        G  21  -7.508   1.076   2.335
   61   1H2*    G  21          1H2*        G  21  -7.959   1.390  -0.012
   62   2HO*    G  21          2HO*        G  21 -10.623   2.102   0.719
   63    H1*    G  21           H1*        G  21  -9.111   3.919   0.316
   64    H8     G  21           H8         G  21  -6.341   3.843   2.761
   65    H1     G  21           H1         G  21  -4.301   4.546  -3.294
   66   1H2     G  21           H21        G  21  -7.524   3.587  -4.152
   67   2H2     G  21           H22        G  21  -5.931   4.062  -4.696
   68   1H5*    A  22          1H5*        A  22 -10.159  -0.734  -0.419
   69   2H5*    A  22          2H5*        A  22  -9.648  -2.398  -0.755
   70    H4*    A  22           H4*        A  22  -9.831  -0.932  -2.752
   71    H3*    A  22           H3*        A  22  -7.178  -2.215  -2.142
   72   1H2*    A  22          1H2*        A  22  -6.394  -1.338  -4.252
   73   2HO*    A  22          2HO*        A  22  -8.950  -0.173  -4.670
   74    H1*    A  22           H1*        A  22  -7.396   1.215  -3.732
   75    H8     A  22           H8         A  22  -6.326   0.200  -0.379
   76   1H6     A  22           H61        A  22  -1.565   1.101  -0.683
   77   2H6     A  22           H62        A  22  -0.478   1.378  -2.026
   78    H2     A  22           H2         A  22  -2.947   1.135  -5.770
   79   1H5*    U  23          1H5*        U  23  -7.586  -4.795  -5.819
   80   2H5*    U  23          2H5*        U  23  -6.824  -3.364  -5.099
   81    H4*    U  23           H4*        U  23  -7.114  -2.455  -7.579
   82    H3*    U  23           H3*        U  23  -7.991  -4.914  -8.223
   83   1H2*    U  23          1H2*        U  23  -6.065  -6.150  -7.457
   84   2HO*    U  23          2HO*        U  23  -6.336  -6.379  -9.823
   85    H1*    U  23           H1*        U  23  -4.256  -3.984  -8.645
   86    H3     U  23           H3         U  23  -0.907  -6.779  -7.357
   87    H5     U  23           H5         U  23  -2.891  -5.774  -3.786
   88    H6     U  23           H6         U  23  -4.607  -4.739  -5.123
   89   1H5*    U  25          1H5*        U  25 -10.933  -1.543  -8.684
   90   2H5*    U  25          2H5*        U  25 -10.603  -1.755 -10.413
   91    H4*    U  25           H4*        U  25  -9.888   0.318 -10.535
   92    H3*    U  25           H3*        U  25  -7.590  -0.765  -9.532
   93   1H2*    U  25          1H2*        U  25  -8.094  -0.242  -7.217
   94   2HO*    U  25          2HO*        U  25  -6.900   1.623  -6.716
   95    H1*    U  25           H1*        U  25  -9.199   2.404  -8.305
   96    H3     U  25           H3         U  25  -9.378   3.832  -3.999
   97    H5     U  25           H5         U  25 -11.742   0.355  -4.053
   98    H6     U  25           H6         U  25 -10.979  -0.040  -6.306
   99   1H5*    G  26          1H5*        G  26  -5.789  -2.287 -11.850
  100   2H5*    G  26          2H5*        G  26  -5.512  -1.605 -10.237
  101    H4*    G  26           H4*        G  26  -3.820  -1.031 -12.664
  102    H3*    G  26           H3*        G  26  -3.494  -3.195 -10.620
  103   1H2*    G  26          1H2*        G  26  -1.137  -2.755 -10.513
  104   2HO*    G  26          2HO*        G  26  -1.512  -0.905 -12.654
  105    H1*    G  26           H1*        G  26  -1.347   0.003 -10.386
  106    H8     G  26           H8         G  26  -4.299  -1.215  -8.498
  107    H1     G  26           H1         G  26   1.199  -1.650  -5.197
  108   1H2     G  26           H21        G  26   2.709  -1.083  -8.273
  109   2H2     G  26           H22        G  26   2.913  -1.387  -6.563
  110   1H5*    A  27          1H5*        A  27  -0.056  -6.401 -12.094
  111   2H5*    A  27          2H5*        A  27  -0.490  -5.646 -10.548
  112    H4*    A  27           H4*        A  27   1.717  -4.737 -12.393
  113    H3*    A  27           H3*        A  27   1.832  -6.560 -10.016
  114   1H2*    A  27          1H2*        A  27   3.853  -5.477  -9.289
  115   2HO*    A  27          2HO*        A  27   5.126  -4.749 -10.817
  116    H1*    A  27           H1*        A  27   2.919  -2.892  -9.612
  117    H8     A  27           H8         A  27  -0.185  -4.562  -8.645
  118   1H6     A  27           H61        A  27   0.413  -4.851  -3.835
  119   2H6     A  27           H62        A  27   1.780  -4.590  -2.776
  120    H2     A  27           H2         A  27   5.255  -3.457  -5.389
  121   1H5*    G  28          1H5*        G  28   5.586  -6.556 -11.688
  122   2H5*    G  28          2H5*        G  28   6.353  -8.154 -11.757
  123    H4*    G  28           H4*        G  28   7.738  -6.563 -10.566
  124    H3*    G  28           H3*        G  28   6.658  -8.865  -8.965
  125   1H2*    G  28          1H2*        G  28   7.800  -8.012  -7.038
  126   2HO*    G  28          2HO*        G  28   9.762  -7.388  -7.845
  127    H1*    G  28           H1*        G  28   7.143  -5.314  -7.486
  128    H8     G  28           H8         G  28   4.126  -7.336  -8.313
  129    H1     G  28           H1         G  28   4.971  -6.480  -1.999
  130   1H2     G  28           H21        G  28   8.128  -5.350  -2.893
  131   2H2     G  28           H22        G  28   6.987  -5.681  -1.609
  132   1H5*    C  29          1H5*        C  29  11.295 -11.022  -7.134
  133   2H5*    C  29          2H5*        C  29   9.588 -11.286  -6.727
  134    H4*    C  29           H4*        C  29  11.560  -9.363  -5.579
  135    H3*    C  29           H3*        C  29   9.708 -11.422  -4.432
  136   1H2*    C  29          1H2*        C  29   9.440 -10.069  -2.458
  137   2HO*    C  29          2HO*        C  29  10.795  -8.452  -1.953
  138    H1*    C  29           H1*        C  29   8.972  -7.701  -3.813
  139   1H4     C  29           H41        C  29   3.385 -11.026  -4.873
  140   2H4     C  29           H42        C  29   3.250 -10.484  -3.215
  141    H5     C  29           H5         C  29   5.407 -10.772  -6.182
  142    H6     C  29           H6         C  29   7.705  -9.958  -6.162
  143   1H5*    C  30          1H5*        C  30  11.767 -10.520  -1.314
  144   2H5*    C  30          2H5*        C  30  12.773 -11.854  -0.716
  145    H4*    C  30           H4*        C  30  11.456 -10.731   1.037
  146    H3*    C  30           H3*        C  30  11.959 -13.377   0.988
  147   1H2*    C  30          1H2*        C  30   9.926 -14.062  -0.120
  148   2HO*    C  30          2HO*        C  30   9.077 -13.819   2.590
  149    H1*    C  30           H1*        C  30   8.397 -12.038   1.594
  150   1H4     C  30           H41        C  30   4.672 -13.211  -3.747
  151   2H4     C  30           H42        C  30   3.748 -13.782  -2.376
  152    H5     C  30           H5         C  30   6.946 -12.398  -3.556
  153    H6     C  30           H6         C  30   8.783 -11.958  -2.013
  154   1H5*    U  31          1H5*        U  31  13.109 -15.609   2.161
  155   2H5*    U  31          2H5*        U  31  11.611 -14.883   2.772
  156    H4*    U  31           H4*        U  31  13.924 -15.673   4.530
  157    H3*    U  31           H3*        U  31  12.587 -17.642   3.283
  158   1H2*    U  31          1H2*        U  31  10.362 -16.952   3.925
  159   2HO*    U  31          2HO*        U  31  10.005 -18.163   6.061
  160    H1*    U  31           H1*        U  31  11.431 -16.368   6.733
  161    H3     U  31           H3         U  31   7.203 -15.360   7.922
  162    H5     U  31           H5         U  31   7.889 -12.964   4.534
  163    H6     U  31           H6         U  31   9.999 -14.091   4.256
  164   1H5*    G  32          1H5*        G  32  14.795 -17.874   7.111
  165   2H5*    G  32          2H5*        G  32  16.304 -18.740   7.465
  166    H4*    G  32           H4*        G  32  13.610 -20.059   7.613
  167    H3*    G  32           H3*        G  32  14.025 -18.013   9.321
  168   1H2*    G  32          1H2*        G  32  16.123 -18.809  10.229
  169   2HO*    G  32          2HO*        G  32  15.538 -20.006  12.200
  170    H1*    G  32           H1*        G  32  14.922 -21.628  10.271
  171    H8     G  32           H8         G  32  18.059 -20.483   8.452
  172    H1     G  32           H1         G  32  19.132 -23.916  13.785
  173   1H2     G  32           H21        G  32  15.714 -23.597  14.299
  174   2H2     G  32           H22        G  32  17.242 -24.228  14.873
  175   1H5*    G  33          1H5*        G  33  11.920 -21.514   7.853
  176   2H5*    G  33          2H5*        G  33  10.933 -20.407   6.878
  177    H4*    G  33           H4*        G  33   9.986 -22.508   6.564
  178    H3*    G  33           H3*        G  33   8.323 -20.619   7.515
  179   1H2*    G  33          1H2*        G  33   8.522 -21.176   9.857
  180   2HO*    G  33          2HO*        G  33   6.493 -22.851   8.761
  181    H1*    G  33           H1*        G  33   8.416 -24.141   9.101
  182    H8     G  33           H8         G  33  10.995 -22.010  11.005
  183    H1     G  33           H1         G  33   7.998 -26.528  14.469
  184   1H2     G  33           H21        G  33   6.120 -27.040  11.594
  185   2H2     G  33           H22        G  33   6.435 -27.496  13.253
  186   1H5*    G  34          1H5*        G  34   7.138 -19.882   3.418
  187   2H5*    G  34          2H5*        G  34   8.810 -19.698   3.987
  188    H4*    G  34           H4*        G  34   7.995 -17.854   5.474
  189    H3*    G  34           H3*        G  34   5.434 -18.547   5.007
  190   1H2*    G  34          1H2*        G  34   5.410 -18.068   2.639
  191   2HO*    G  34          2HO*        G  34   3.906 -16.626   3.814
  192    H1*    G  34           H1*        G  34   7.053 -15.548   3.214
  193    H8     G  34           H8         G  34   5.149 -16.018   0.696
  194    H1     G  34           H1         G  34  10.993 -17.235  -1.696
  195   1H2     G  34           H21        G  34  11.918 -17.665   1.622
  196   2H2     G  34           H22        G  34  12.402 -17.672  -0.059
  197   1H5*    A  35          1H5*        A  35   2.099 -17.200   7.486
  198   2H5*    A  35          2H5*        A  35   1.489 -17.964   6.005
  199    H4*    A  35           H4*        A  35   1.867 -15.100   6.676
  200    H3*    A  35           H3*        A  35  -0.434 -16.355   6.376
  201   1H2*    A  35          1H2*        A  35   0.025 -17.352   4.212
  202   2HO*    A  35          2HO*        A  35  -1.912 -16.116   4.016
  203    H1*    A  35           H1*        A  35   1.083 -14.673   3.199
  204    H8     A  35           H8         A  35   1.879 -18.469   3.398
  205   1H6     A  35           H61        A  35   3.681 -18.908  -1.102
  206   2H6     A  35           H62        A  35   3.952 -17.767  -2.401
  207    H2     A  35           H2         A  35   2.600 -13.750  -0.913
  208   1H5*    G  36          1H5*        G  36   0.869 -10.949   6.795
  209   2H5*    G  36          2H5*        G  36   0.934 -12.094   5.442
  210    H4*    G  36           H4*        G  36   3.224 -11.817   7.356
  211    H3*    G  36           H3*        G  36   2.578  -9.892   5.149
  212   1H2*    G  36          1H2*        G  36   4.898  -9.879   4.499
  213   2HO*    G  36          2HO*        G  36   6.478 -10.889   5.733
  214    H1*    G  36           H1*        G  36   5.180 -12.624   4.478
  215    H8     G  36           H8         G  36   1.768 -12.704   3.449
  216    H1     G  36           H1         G  36   5.369  -9.888  -1.069
  217   1H2     G  36           H21        G  36   7.765  -9.648   1.429
  218   2H2     G  36           H22        G  36   7.332  -9.337  -0.237
  219   1H5*    C  37          1H5*        C  37   5.889  -8.366   6.481
  220   2H5*    C  37          2H5*        C  37   5.744  -6.667   6.968
  221    H4*    C  37           H4*        C  37   7.538  -6.912   5.396
  222    H3*    C  37           H3*        C  37   5.153  -5.406   4.343
  223   1H2*    C  37          1H2*        C  37   6.363  -5.071   2.295
  224   2HO*    C  37          2HO*        C  37   8.519  -5.295   2.149
  225    H1*    C  37           H1*        C  37   7.332  -7.703   2.138
  226   1H4     C  37           H41        C  37   1.120  -8.061  -0.055
  227   2H4     C  37           H42        C  37   2.041  -7.487  -1.426
  228    H5     C  37           H5         C  37   2.074  -8.314   2.160
  229    H6     C  37           H6         C  37   4.101  -8.084   3.495
  230   1H5*    U  38          1H5*        U  38   8.764  -3.284   3.594
  231   2H5*    U  38          2H5*        U  38   8.518  -1.527   3.621
  232    H4*    U  38           H4*        U  38   9.490  -2.470   1.512
  233    H3*    U  38           H3*        U  38   7.007  -0.768   1.429
  234   1H2*    U  38          1H2*        U  38   7.017  -0.988  -0.951
  235   2HO*    U  38          2HO*        U  38   9.130  -0.687  -1.496
  236    H1*    U  38           H1*        U  38   7.813  -3.716  -0.971
  237    H3     U  38           H3         U  38   3.644  -3.370  -2.834
  238    H5     U  38           H5         U  38   3.026  -3.588   1.319
  239    H6     U  38           H6         U  38   5.402  -3.325   1.612
  240   1H5*    C  39          1H5*        C  39   8.358   2.977  -1.416
  241   2H5*    C  39          2H5*        C  39   6.595   2.806  -1.520
  242    H4*    C  39           H4*        C  39   8.734   1.694  -3.215
  243    H3*    C  39           H3*        C  39   5.964   2.744  -3.677
  244   1H2*    C  39          1H2*        C  39   5.772   1.357  -5.632
  245   2HO*    C  39          2HO*        C  39   7.487   0.460  -6.611
  246    H1*    C  39           H1*        C  39   6.715  -0.954  -4.436
  247   1H4     C  39           H41        C  39   0.733  -0.340  -1.751
  248   2H4     C  39           H42        C  39   0.415  -0.902  -3.377
  249    H5     C  39           H5         C  39   2.941   0.313  -0.990
  250    H6     C  39           H6         C  39   5.283   0.549  -1.633
  251   1H5*    U  40          1H5*        U  40   5.625   4.849  -8.401
  252   2H5*    U  40          2H5*        U  40   4.695   5.068  -6.905
  253    H4*    U  40           H4*        U  40   4.733   2.760  -8.812
  254    H3*    U  40           H3*        U  40   2.582   4.558  -7.744
  255   1H2*    U  40          1H2*        U  40   1.034   2.734  -7.784
  256   2HO*    U  40          2HO*        U  40   1.467   0.822  -8.871
  257    H1*    U  40           H1*        U  40   2.806   0.801  -6.780
  258    H3     U  40           H3         U  40  -0.653   2.207  -3.896
  259    H5     U  40           H5         U  40   2.984   3.894  -2.635
  260    H6     U  40           H6         U  40   3.946   3.207  -4.732
  261   1H5*    C  41          1H5*        C  41   0.141   2.334 -10.320
  262   2H5*    C  41          2H5*        C  41  -0.422   3.577 -11.455
  263    H4*    C  41           H4*        C  41  -2.313   2.441 -10.537
  264    H3*    C  41           H3*        C  41  -1.990   5.283  -9.617
  265   1H2*    C  41          1H2*        C  41  -3.932   5.054  -8.259
  266   2HO*    C  41          2HO*        C  41  -5.354   3.279  -8.509
  267    H1*    C  41           H1*        C  41  -3.432   2.372  -7.454
  268   1H4     C  41           H41        C  41  -0.218   6.196  -3.144
  269   2H4     C  41           H42        C  41  -1.812   5.958  -2.462
  270    H5     C  41           H5         C  41   0.398   5.422  -5.359
  271    H6     C  41           H6         C  41  -0.393   4.267  -7.358
  272   1H5*    U  42          1H5*        U  42  -6.202   7.792 -10.328
  273   2H5*    U  42          2H5*        U  42  -4.908   7.547  -9.138
  274    H4*    U  42           H4*        U  42  -7.526   6.052  -9.145
  275    H3*    U  42           H3*        U  42  -6.859   8.648  -7.799
  276   1H2*    U  42          1H2*        U  42  -7.982   7.907  -5.814
  277   2HO*    U  42          2HO*        U  42  -8.839   5.657  -7.350
  278    H1*    U  42           H1*        U  42  -6.902   5.335  -5.801
  279    H3     U  42           H3         U  42  -5.098   8.078  -2.509
  280    H5     U  42           H5         U  42  -2.476   8.163  -5.796
  281    H6     U  42           H6         U  42  -4.178   7.058  -7.091
  282   1H5*    G  43          1H5*        G  43 -11.804  10.201  -6.336
  283   2H5*    G  43          2H5*        G  43 -10.198  10.759  -5.825
  284    H4*    G  43           H4*        G  43 -11.910   8.584  -4.670
  285    H3*    G  43           H3*        G  43 -10.815  11.158  -3.596
  286   1H2*    G  43          1H2*        G  43 -10.527  10.139  -1.437
  287   2HO*    G  43          2HO*        G  43 -12.570   8.772  -1.923
  288    H1*    G  43           H1*        G  43  -9.312   7.832  -2.376
  289    H8     G  43           H8         G  43  -7.811   9.881  -4.848
  290    H1     G  43           H1         G  43  -5.734  11.637   0.976
  291   1H2     G  43           H21        G  43  -8.462   9.843   2.150
  292   2H2     G  43           H22        G  43  -7.065  10.825   2.531
  293   1H5*    G  44          1H5*        G  44 -13.337  10.153  -0.737
  294   2H5*    G  44          2H5*        G  44 -14.525  11.415  -0.353
  295    H4*    G  44           H4*        G  44 -13.366  10.747   1.639
  296    H3*    G  44           H3*        G  44 -12.807  13.540   0.690
  297   1H2*    G  44          1H2*        G  44 -11.299  13.850   2.517
  298   2HO*    G  44          2HO*        G  44 -11.748  12.922   4.360
  299    H1*    G  44           H1*        G  44 -10.144  11.273   2.402
  300    H8     G  44           H8         G  44 -10.330  12.283  -1.115
  301    H1     G  44           H1         G  44  -5.681  15.377   2.073
  302   1H2     G  44           H21        G  44  -7.285  14.207   4.919
  303   2H2     G  44           H22        G  44  -5.964  15.133   4.244
  304   1H5*    C  45          1H5*        C  45 -14.224  16.855   4.213
  305   2H5*    C  45          2H5*        C  45 -13.013  16.928   2.917
  306    H4*    C  45           H4*        C  45 -12.615  16.315   5.833
  307    H3*    C  45           H3*        C  45 -11.747  18.578   4.070
  308   1H2*    C  45          1H2*        C  45  -9.655  18.690   5.237
  309   2HO*    C  45          2HO*        C  45  -9.838  18.304   7.322
  310    H1*    C  45           H1*        C  45  -9.183  15.944   5.266
  311   1H4     C  45           H41        C  45  -7.821  17.661  -0.954
  312   2H4     C  45           H42        C  45  -6.432  18.211  -0.043
  313    H5     C  45           H5         C  45  -9.816  16.766   0.098
  314    H6     C  45           H6         C  45 -10.876  16.227   2.228
  315   1H5*    C  46          1H5*        C  46 -10.906  19.804   8.071
  316   2H5*    C  46          2H5*        C  46 -11.305  21.523   8.256
  317    H4*    C  46           H4*        C  46  -8.998  21.066   8.857
  318    H3*    C  46           H3*        C  46  -9.450  22.858   6.490
  319   1H2*    C  46          1H2*        C  46  -7.081  23.073   6.240
  320   2HO*    C  46          2HO*        C  46  -5.655  22.523   7.848
  321    H1*    C  46           H1*        C  46  -6.483  20.363   6.774
  322   1H4     C  46           H41        C  46  -8.275  20.847   0.408
  323   2H4     C  46           H42        C  46  -6.580  20.416   0.437
  324    H5     C  46           H5         C  46  -9.560  21.277   2.419
  325    H6     C  46           H6         C  46  -9.470  21.386   4.857
  326    H3T    C  46           H3T        C  46  -9.949  23.821   8.292
  327   1H    ARG  47          3H        ARG  47   0.987  -2.794   2.296
  328   2H    ARG  47          2H        ARG  47  -0.495  -2.206   2.884
  329   3H    ARG  47          1H        ARG  47   0.147  -3.655   3.493
  330    HA   ARG  47           HA       ARG  47  -1.616  -4.193   1.989
  331   1HB   ARG  47          2HB       ARG  47  -0.956  -1.874   0.730
  332   2HB   ARG  47          1HB       ARG  47  -0.209  -3.042  -0.359
  333   1HG   ARG  47          2HG       ARG  47  -2.372  -4.274  -0.477
  334   2HG   ARG  47          1HG       ARG  47  -3.107  -3.035   0.544
  335   1HD   ARG  47          2HD       ARG  47  -2.209  -1.368  -1.246
  336   2HD   ARG  47          1HD       ARG  47  -2.089  -2.794  -2.278
  337    HE   ARG  47           HE       ARG  47  -4.649  -1.875  -1.030
  338   1HH1  ARG  47          1HH2      ARG  47  -5.653  -4.174  -1.807
  339   2HH1  ARG  47          2HH2      ARG  47  -5.775  -4.206  -3.533
  340   1HH2  ARG  47          1HH1      ARG  47  -3.568  -1.558  -3.994
  341   2HH2  ARG  47          2HH1      ARG  47  -4.593  -2.710  -4.779
   
  No H/Q in entry =         341
  Start of MODEL    2
    1   1H5*    G  16          1H5*        G  16   0.903  24.374  -4.139
    2   2H5*    G  16          2H5*        G  16   1.365  26.084  -4.105
    3    H4*    G  16           H4*        G  16   2.111  25.858  -1.805
    4    H3*    G  16           H3*        G  16   1.454  22.946  -2.116
    5   1H2*    G  16          1H2*        G  16   0.574  22.911   0.115
    6   2HO*    G  16          2HO*        G  16   1.848  25.443   0.315
    7    H1*    G  16           H1*        G  16  -0.859  25.295  -0.090
    8    H8     G  16           H8         G  16  -1.109  23.642  -3.421
    9    H1     G  16           H1         G  16  -5.040  21.108   0.991
   10   1H2     G  16           H21        G  16  -3.192  22.980   3.255
   11   2H2     G  16           H22        G  16  -4.508  21.857   2.994
   12    H5T    G  16           H5T        G  16   3.513  25.434  -3.743
   13   1H5*    G  17          1H5*        G  17   3.667  20.336   1.620
   14   2H5*    G  17          2H5*        G  17   2.263  20.145   0.552
   15    H4*    G  17           H4*        G  17   2.333  21.375   3.300
   16    H3*    G  17           H3*        G  17   1.208  18.795   2.258
   17   1H2*    G  17          1H2*        G  17  -0.636  19.000   3.801
   18   2HO*    G  17          2HO*        G  17  -0.047  19.985   5.624
   19    H1*    G  17           H1*        G  17  -1.234  21.574   3.036
   20    H8     G  17           H8         G  17   0.070  20.493  -0.157
   21    H1     G  17           H1         G  17  -5.443  17.492   1.239
   22   1H2     G  17           H21        G  17  -4.912  18.691   4.452
   23   2H2     G  17           H22        G  17  -5.933  17.773   3.368
   24   1H5*    C  18          1H5*        C  18   1.733  16.986   6.928
   25   2H5*    C  18          2H5*        C  18   1.083  17.158   5.286
   26    H4*    C  18           H4*        C  18  -0.428  17.838   7.805
   27    H3*    C  18           H3*        C  18  -0.334  15.229   6.318
   28   1H2*    C  18          1H2*        C  18  -2.700  14.997   6.635
   29   2HO*    C  18          2HO*        C  18  -2.884  15.709   8.768
   30    H1*    C  18           H1*        C  18  -3.332  17.661   6.028
   31   1H4     C  18           H41        C  18  -2.488  14.866   0.123
   32   2H4     C  18           H42        C  18  -4.114  14.424   0.595
   33    H5     C  18           H5         C  18  -0.946  16.000   1.612
   34    H6     C  18           H6         C  18  -0.650  16.917   3.854
   35   1H5*    C  19          1H5*        C  19  -2.306  11.542   8.904
   36   2H5*    C  19          2H5*        C  19  -2.136  12.076   7.220
   37    H4*    C  19           H4*        C  19  -4.473  12.675   9.031
   38    H3*    C  19           H3*        C  19  -4.101  10.467   7.041
   39   1H2*    C  19          1H2*        C  19  -6.339  10.794   6.234
   40   2HO*    C  19          2HO*        C  19  -7.848  11.684   7.449
   41    H1*    C  19           H1*        C  19  -6.191  13.558   6.058
   42   1H4     C  19           H41        C  19  -2.541  11.624   0.929
   43   2H4     C  19           H42        C  19  -4.174  11.228   0.443
   44    H5     C  19           H5         C  19  -1.979  12.384   3.161
   45    H6     C  19           H6         C  19  -2.868  12.916   5.368
   46   1H5*    A  20          1H5*        A  20  -7.834   9.465   8.129
   47   2H5*    A  20          2H5*        A  20  -7.789   7.792   8.723
   48    H4*    A  20           H4*        A  20  -9.402   7.968   6.966
   49    H3*    A  20           H3*        A  20  -6.954   6.372   6.270
   50   1H2*    A  20          1H2*        A  20  -7.849   5.992   4.086
   51   2HO*    A  20          2HO*        A  20  -9.945   5.600   4.165
   52    H1*    A  20           H1*        A  20  -8.855   8.600   3.716
   53    H8     A  20           H8         A  20  -5.542   9.153   5.216
   54   1H6     A  20           H61        A  20  -2.755   8.706   1.247
   55   2H6     A  20           H62        A  20  -3.057   8.094  -0.363
   56    H2     A  20           H2         A  20  -7.346   6.770  -0.473
   57   1H5*    G  21          1H5*        G  21  -8.148   1.807   4.794
   58   2H5*    G  21          2H5*        G  21  -6.955   3.037   4.336
   59    H4*    G  21           H4*        G  21  -9.583   2.479   2.963
   60    H3*    G  21           H3*        G  21  -6.782   1.657   2.264
   61   1H2*    G  21          1H2*        G  21  -7.292   2.055  -0.072
   62   2HO*    G  21          2HO*        G  21  -9.302   1.975  -0.739
   63    H1*    G  21           H1*        G  21  -8.262   4.582   0.343
   64    H8     G  21           H8         G  21  -5.983   4.521   3.151
   65    H1     G  21           H1         G  21  -2.768   4.519  -2.416
   66   1H2     G  21           H21        G  21  -5.811   3.626  -3.813
   67   2H2     G  21           H22        G  21  -4.115   3.973  -4.063
   68   1H5*    A  22          1H5*        A  22  -9.530  -0.172  -0.563
   69   2H5*    A  22          2H5*        A  22  -8.897  -1.769  -1.013
   70    H4*    A  22           H4*        A  22  -9.283  -0.058  -2.866
   71    H3*    A  22           H3*        A  22  -6.719  -1.615  -2.583
   72   1H2*    A  22          1H2*        A  22  -5.916  -0.527  -4.584
   73   2HO*    A  22          2HO*        A  22  -7.948  -0.437  -5.699
   74    H1*    A  22           H1*        A  22  -6.576   2.010  -3.704
   75    H8     A  22           H8         A  22  -5.773   0.819  -0.434
   76   1H6     A  22           H61        A  22  -0.928   0.683  -0.586
   77   2H6     A  22           H62        A  22   0.233   0.685  -1.895
   78    H2     A  22           H2         A  22  -2.114   0.923  -5.715
   79   1H5*    U  23          1H5*        U  23  -9.443  -5.121  -5.872
   80   2H5*    U  23          2H5*        U  23  -8.407  -4.415  -4.616
   81    H4*    U  23           H4*        U  23  -8.483  -2.631  -6.831
   82    H3*    U  23           H3*        U  23  -8.945  -4.981  -8.046
   83   1H2*    U  23          1H2*        U  23  -7.094  -6.191  -7.057
   84   2HO*    U  23          2HO*        U  23  -5.870  -4.886  -9.277
   85    H1*    U  23           H1*        U  23  -5.344  -3.719  -7.531
   86    H3     U  23           H3         U  23  -1.996  -6.462  -6.117
   87    H5     U  23           H5         U  23  -4.624  -6.202  -2.845
   88    H6     U  23           H6         U  23  -6.175  -5.043  -4.277
   89   1H5*    U  25          1H5*        U  25 -11.175  -0.532  -8.122
   90   2H5*    U  25          2H5*        U  25 -11.151  -1.057  -9.816
   91    H4*    U  25           H4*        U  25  -9.221   0.209 -10.288
   92    H3*    U  25           H3*        U  25  -8.260  -0.128  -7.753
   93   1H2*    U  25          1H2*        U  25  -9.728   1.496  -6.719
   94   2HO*    U  25          2HO*        U  25  -7.675   2.315  -6.295
   95    H1*    U  25           H1*        U  25  -9.310   3.175  -9.254
   96    H3     U  25           H3         U  25 -12.266   6.425  -8.429
   97    H5     U  25           H5         U  25 -13.422   3.435  -5.709
   98    H6     U  25           H6         U  25 -11.683   2.037  -6.618
   99   1H5*    G  26          1H5*        G  26  -6.329  -0.592 -10.784
  100   2H5*    G  26          2H5*        G  26  -6.240  -2.253 -10.174
  101    H4*    G  26           H4*        G  26  -4.402  -1.190 -11.768
  102    H3*    G  26           H3*        G  26  -4.028  -3.282  -9.646
  103   1H2*    G  26          1H2*        G  26  -1.664  -3.223 -10.060
  104   2HO*    G  26          2HO*        G  26  -1.511  -3.079 -12.258
  105    H1*    G  26           H1*        G  26  -1.456  -0.449 -10.185
  106    H8     G  26           H8         G  26  -3.954  -1.423  -7.543
  107    H1     G  26           H1         G  26   2.164  -1.695  -5.610
  108   1H2     G  26           H21        G  26   2.919  -1.288  -8.973
  109   2H2     G  26           H22        G  26   3.515  -1.499  -7.342
  110   1H5*    A  27          1H5*        A  27  -1.178  -6.934 -11.550
  111   2H5*    A  27          2H5*        A  27  -1.472  -6.074 -10.026
  112    H4*    A  27           H4*        A  27   0.569  -5.269 -12.097
  113    H3*    A  27           H3*        A  27   0.900  -7.068  -9.721
  114   1H2*    A  27          1H2*        A  27   2.990  -6.000  -9.206
  115   2HO*    A  27          2HO*        A  27   2.684  -4.484 -11.603
  116    H1*    A  27           H1*        A  27   2.074  -3.400  -9.516
  117    H8     A  27           H8         A  27  -0.929  -4.932  -8.131
  118   1H6     A  27           H61        A  27   0.232  -5.092  -3.423
  119   2H6     A  27           H62        A  27   1.729  -4.880  -2.545
  120    H2     A  27           H2         A  27   4.915  -4.022  -5.595
  121   1H5*    G  28          1H5*        G  28   6.019  -8.769 -11.295
  122   2H5*    G  28          2H5*        G  28   5.101  -9.061  -9.805
  123    H4*    G  28           H4*        G  28   6.780  -6.696 -10.571
  124    H3*    G  28           H3*        G  28   6.916  -8.711  -8.356
  125   1H2*    G  28          1H2*        G  28   7.730  -7.016  -6.863
  126   2HO*    G  28          2HO*        G  28   8.328  -4.971  -7.605
  127    H1*    G  28           H1*        G  28   5.868  -5.081  -7.580
  128    H8     G  28           H8         G  28   3.386  -7.464  -7.830
  129    H1     G  28           H1         G  28   5.726  -7.699  -1.851
  130   1H2     G  28           H21        G  28   8.443  -5.996  -3.167
  131   2H2     G  28           H22        G  28   7.693  -6.724  -1.763
  132   1H5*    C  29          1H5*        C  29  10.678  -7.730  -8.335
  133   2H5*    C  29          2H5*        C  29  11.915  -8.998  -8.434
  134    H4*    C  29           H4*        C  29  12.134  -7.987  -6.320
  135    H3*    C  29           H3*        C  29  10.897 -10.716  -6.190
  136   1H2*    C  29          1H2*        C  29  10.648 -10.504  -3.823
  137   2HO*    C  29          2HO*        C  29  12.252  -9.519  -2.851
  138    H1*    C  29           H1*        C  29   9.789  -7.829  -3.835
  139   1H4     C  29           H41        C  29   4.341 -11.206  -5.334
  140   2H4     C  29           H42        C  29   4.495 -11.375  -3.599
  141    H5     C  29           H5         C  29   6.054 -10.185  -6.715
  142    H6     C  29           H6         C  29   8.253  -9.128  -6.706
  143   1H5*    C  30          1H5*        C  30  12.839 -11.403  -3.419
  144   2H5*    C  30          2H5*        C  30  14.098 -12.648  -3.527
  145    H4*    C  30           H4*        C  30  12.593 -13.168  -1.743
  146    H3*    C  30           H3*        C  30  13.314 -15.068  -3.535
  147   1H2*    C  30          1H2*        C  30  11.346 -14.925  -4.925
  148   2HO*    C  30          2HO*        C  30  10.785 -16.704  -2.775
  149    H1*    C  30           H1*        C  30   9.692 -14.616  -2.361
  150   1H4     C  30           H41        C  30   6.103 -12.434  -7.509
  151   2H4     C  30           H42        C  30   5.063 -13.469  -6.556
  152    H5     C  30           H5         C  30   8.437 -12.051  -6.965
  153    H6     C  30           H6         C  30  10.231 -12.578  -5.396
  154   1H5*    U  31          1H5*        U  31  13.310 -17.118  -3.529
  155   2H5*    U  31          2H5*        U  31  12.989 -18.760  -2.947
  156    H4*    U  31           H4*        U  31  14.693 -19.266  -4.298
  157    H3*    U  31           H3*        U  31  15.660 -19.315  -1.751
  158   1H2*    U  31          1H2*        U  31  16.663 -17.105  -1.823
  159   2HO*    U  31          2HO*        U  31  18.392 -18.488  -1.375
  160    H1*    U  31           H1*        U  31  17.531 -17.807  -4.684
  161    H3     U  31           H3         U  31  20.073 -14.017  -4.216
  162    H5     U  31           H5         U  31  16.076 -12.714  -4.211
  163    H6     U  31           H6         U  31  15.398 -15.022  -4.076
  164   1H5*    G  32          1H5*        G  32  16.434 -21.214  -0.656
  165   2H5*    G  32          2H5*        G  32  17.640 -22.486  -0.382
  166    H4*    G  32           H4*        G  32  14.759 -23.089  -0.986
  167    H3*    G  32           H3*        G  32  15.240 -21.735   1.295
  168   1H2*    G  32          1H2*        G  32  16.913 -23.232   2.193
  169   2HO*    G  32          2HO*        G  32  14.427 -24.417   2.945
  170    H1*    G  32           H1*        G  32  15.215 -25.590   1.226
  171    H8     G  32           H8         G  32  18.845 -24.544   0.525
  172    H1     G  32           H1         G  32  18.126 -30.002   3.851
  173   1H2     G  32           H21        G  32  14.751 -29.190   3.855
  174   2H2     G  32           H22        G  32  16.003 -30.310   4.344
  175   1H5*    G  33          1H5*        G  33   9.999 -22.719  -1.444
  176   2H5*    G  33          2H5*        G  33  10.095 -21.604  -0.067
  177    H4*    G  33           H4*        G  33   8.372 -23.374   0.144
  178    H3*    G  33           H3*        G  33   9.783 -22.361   2.204
  179   1H2*    G  33          1H2*        G  33  11.530 -24.026   2.238
  180   2HO*    G  33          2HO*        G  33  10.666 -25.748   3.760
  181    H1*    G  33           H1*        G  33   9.407 -26.173   1.726
  182    H8     G  33           H8         G  33  12.500 -25.245  -0.324
  183    H1     G  33           H1         G  33  12.882 -30.845   2.815
  184   1H2     G  33           H21        G  33   9.877 -29.883   4.262
  185   2H2     G  33           H22        G  33  11.139 -31.088   4.140
  186   1H5*    G  34          1H5*        G  34   8.049 -19.661   0.892
  187   2H5*    G  34          2H5*        G  34   9.072 -20.269   2.209
  188    H4*    G  34           H4*        G  34   7.559 -19.502   3.861
  189    H3*    G  34           H3*        G  34   5.430 -19.809   2.180
  190   1H2*    G  34          1H2*        G  34   5.867 -17.834   0.845
  191   2HO*    G  34          2HO*        G  34   3.809 -17.550   1.917
  192    H1*    G  34           H1*        G  34   6.683 -16.467   3.471
  193    H8     G  34           H8         G  34   5.536 -15.107   0.682
  194    H1     G  34           H1         G  34  11.801 -13.656   0.802
  195   1H2     G  34           H21        G  34  12.037 -16.271   3.076
  196   2H2     G  34           H22        G  34  12.860 -15.012   2.182
  197   1H5*    A  35          1H5*        A  35   1.271 -18.173   5.816
  198   2H5*    A  35          2H5*        A  35   1.146 -18.389   4.059
  199    H4*    A  35           H4*        A  35   1.810 -15.800   5.454
  200    H3*    A  35           H3*        A  35  -0.685 -16.697   5.619
  201   1H2*    A  35          1H2*        A  35  -0.957 -17.253   3.270
  202   2HO*    A  35          2HO*        A  35  -1.705 -14.503   3.431
  203    H1*    A  35           H1*        A  35   0.303 -14.559   2.549
  204    H8     A  35           H8         A  35   1.025 -18.264   1.689
  205   1H6     A  35           H61        A  35   0.648 -17.835  -3.145
  206   2H6     A  35           H62        A  35   0.225 -16.505  -4.201
  207    H2     A  35           H2         A  35  -0.609 -12.962  -1.569
  208   1H5*    G  36          1H5*        G  36   1.531 -11.767   6.293
  209   2H5*    G  36          2H5*        G  36   1.319 -12.847   4.900
  210    H4*    G  36           H4*        G  36   3.841 -12.899   6.513
  211    H3*    G  36           H3*        G  36   3.142 -10.835   4.446
  212   1H2*    G  36          1H2*        G  36   5.394 -10.962   3.604
  213   2HO*    G  36          2HO*        G  36   6.774 -11.330   5.236
  214    H1*    G  36           H1*        G  36   5.386 -13.726   3.453
  215    H8     G  36           H8         G  36   1.929 -13.389   2.656
  216    H1     G  36           H1         G  36   5.543 -10.683  -1.923
  217   1H2     G  36           H21        G  36   8.084 -10.851   0.437
  218   2H2     G  36           H22        G  36   7.599 -10.394  -1.180
  219   1H5*    C  37          1H5*        C  37   6.918  -7.972   6.985
  220   2H5*    C  37          2H5*        C  37   5.616  -8.265   5.814
  221    H4*    C  37           H4*        C  37   8.574  -8.665   5.368
  222    H3*    C  37           H3*        C  37   6.737  -6.438   4.565
  223   1H2*    C  37          1H2*        C  37   7.755  -6.336   2.412
  224   2HO*    C  37          2HO*        C  37   9.735  -8.164   3.340
  225    H1*    C  37           H1*        C  37   8.033  -9.118   2.045
  226   1H4     C  37           H41        C  37   1.809  -7.893   0.274
  227   2H4     C  37           H42        C  37   2.761  -7.486  -1.137
  228    H5     C  37           H5         C  37   2.803  -8.468   2.412
  229    H6     C  37           H6         C  37   4.902  -8.756   3.622
  230   1H5*    U  38          1H5*        U  38   8.497  -2.320   3.416
  231   2H5*    U  38          2H5*        U  38   7.193  -3.408   2.901
  232    H4*    U  38           H4*        U  38   9.835  -3.044   1.490
  233    H3*    U  38           H3*        U  38   7.198  -1.701   1.012
  234   1H2*    U  38          1H2*        U  38   7.516  -1.934  -1.360
  235   2HO*    U  38          2HO*        U  38   9.696  -1.512  -1.587
  236    H1*    U  38           H1*        U  38   8.313  -4.592  -1.278
  237    H3     U  38           H3         U  38   3.950  -4.213  -2.779
  238    H5     U  38           H5         U  38   3.754  -4.831   1.374
  239    H6     U  38           H6         U  38   6.138  -4.500   1.465
  240   1H5*    C  39          1H5*        C  39   9.100   2.269  -2.364
  241   2H5*    C  39          2H5*        C  39   7.456   1.794  -1.889
  242    H4*    C  39           H4*        C  39   9.215   0.675  -4.040
  243    H3*    C  39           H3*        C  39   6.501   1.948  -4.019
  244   1H2*    C  39          1H2*        C  39   5.811   0.504  -5.808
  245   2HO*    C  39          2HO*        C  39   7.216  -0.569  -7.062
  246    H1*    C  39           H1*        C  39   6.809  -1.830  -4.697
  247   1H4     C  39           H41        C  39   1.527  -0.723  -0.946
  248   2H4     C  39           H42        C  39   0.852  -1.243  -2.472
  249    H5     C  39           H5         C  39   3.882  -0.234  -0.645
  250    H6     C  39           H6         C  39   6.067  -0.203  -1.731
  251   1H5*    U  40          1H5*        U  40   7.225   2.922  -7.754
  252   2H5*    U  40          2H5*        U  40   6.652   4.534  -8.226
  253    H4*    U  40           H4*        U  40   5.272   2.737  -9.147
  254    H3*    U  40           H3*        U  40   3.956   4.669  -7.256
  255   1H2*    U  40          1H2*        U  40   1.894   3.488  -7.563
  256   2HO*    U  40          2HO*        U  40   1.980   3.160  -9.796
  257    H1*    U  40           H1*        U  40   3.039   0.908  -7.494
  258    H3     U  40           H3         U  40   0.374   1.468  -3.799
  259    H5     U  40           H5         U  40   4.152   2.973  -2.742
  260    H6     U  40           H6         U  40   4.805   2.751  -5.049
  261   1H5*    C  41          1H5*        C  41   0.218   6.856 -10.440
  262   2H5*    C  41          2H5*        C  41   0.322   6.838  -8.668
  263    H4*    C  41           H4*        C  41  -1.224   5.094 -10.522
  264    H3*    C  41           H3*        C  41  -1.866   6.625  -8.022
  265   1H2*    C  41          1H2*        C  41  -3.530   4.976  -7.463
  266   2HO*    C  41          2HO*        C  41  -4.417   3.736  -8.950
  267    H1*    C  41           H1*        C  41  -1.906   2.786  -7.925
  268   1H4     C  41           H41        C  41   0.703   5.003  -2.333
  269   2H4     C  41           H42        C  41  -0.878   4.443  -1.835
  270    H5     C  41           H5         C  41   1.360   5.198  -4.657
  271    H6     C  41           H6         C  41   0.647   4.868  -6.965
  272   1H5*    U  42          1H5*        U  42  -5.561   5.428  -9.484
  273   2H5*    U  42          2H5*        U  42  -6.584   6.867  -9.661
  274    H4*    U  42           H4*        U  42  -7.663   5.043  -8.414
  275    H3*    U  42           H3*        U  42  -7.276   7.691  -7.046
  276   1H2*    U  42          1H2*        U  42  -8.384   6.788  -5.108
  277   2HO*    U  42          2HO*        U  42  -8.831   4.412  -6.626
  278    H1*    U  42           H1*        U  42  -6.948   4.402  -5.085
  279    H3     U  42           H3         U  42  -5.672   7.596  -1.873
  280    H5     U  42           H5         U  42  -2.824   7.579  -4.960
  281    H6     U  42           H6         U  42  -4.346   6.244  -6.257
  282   1H5*    G  43          1H5*        G  43 -11.012   6.568  -6.006
  283   2H5*    G  43          2H5*        G  43 -12.172   7.879  -6.286
  284    H4*    G  43           H4*        G  43 -12.291   7.068  -4.007
  285    H3*    G  43           H3*        G  43 -11.366   9.901  -4.382
  286   1H2*    G  43          1H2*        G  43 -11.146  10.118  -2.013
  287   2HO*    G  43          2HO*        G  43 -12.988   9.162  -1.253
  288    H1*    G  43           H1*        G  43 -10.071   7.535  -1.575
  289    H8     G  43           H8         G  43  -8.323   8.849  -4.548
  290    H1     G  43           H1         G  43  -6.218  11.471   0.932
  291   1H2     G  43           H21        G  43  -9.062  10.060   2.333
  292   2H2     G  43           H22        G  43  -7.615  11.014   2.571
  293   1H5*    G  44          1H5*        G  44 -14.060  13.153  -1.950
  294   2H5*    G  44          2H5*        G  44 -12.373  12.694  -2.256
  295    H4*    G  44           H4*        G  44 -13.910  11.912   0.213
  296    H3*    G  44           H3*        G  44 -12.337  14.418  -0.268
  297   1H2*    G  44          1H2*        G  44 -11.360  14.221   1.919
  298   2HO*    G  44          2HO*        G  44 -12.137  12.836   3.449
  299    H1*    G  44           H1*        G  44 -10.729  11.529   1.703
  300    H8     G  44           H8         G  44 -10.105  12.288  -1.734
  301    H1     G  44           H1         G  44  -5.844  15.290   2.033
  302   1H2     G  44           H21        G  44  -8.080  14.580   4.592
  303   2H2     G  44           H22        G  44  -6.561  15.305   4.118
  304   1H5*    C  45          1H5*        C  45 -13.782  15.224   3.279
  305   2H5*    C  45          2H5*        C  45 -14.756  16.705   3.363
  306    H4*    C  45           H4*        C  45 -13.085  16.869   5.021
  307    H3*    C  45           H3*        C  45 -12.519  18.643   2.659
  308   1H2*    C  45          1H2*        C  45 -10.533  19.396   3.762
  309   2HO*    C  45          2HO*        C  45 -11.494  18.012   6.066
  310    H1*    C  45           H1*        C  45  -9.783  16.855   4.754
  311   1H4     C  45           H41        C  45  -7.546  17.072  -1.453
  312   2H4     C  45           H42        C  45  -6.281  17.797  -0.485
  313    H5     C  45           H5         C  45  -9.688  16.409  -0.538
  314    H6     C  45           H6         C  45 -11.075  16.375   1.469
  315   1H5*    C  46          1H5*        C  46 -12.248  23.432   5.491
  316   2H5*    C  46          2H5*        C  46 -11.719  22.928   3.873
  317    H4*    C  46           H4*        C  46 -10.278  22.794   6.488
  318    H3*    C  46           H3*        C  46  -9.648  23.960   3.798
  319   1H2*    C  46          1H2*        C  46  -7.324  23.464   4.130
  320   2HO*    C  46          2HO*        C  46  -8.031  22.677   6.783
  321    H1*    C  46           H1*        C  46  -7.708  20.883   5.108
  322   1H4     C  46           H41        C  46  -8.680  20.365  -1.408
  323   2H4     C  46           H42        C  46  -6.966  20.111  -1.165
  324    H5     C  46           H5         C  46 -10.184  21.012   0.382
  325    H6     C  46           H6         C  46 -10.340  21.553   2.757
  326    H3T    C  46           H3T        C  46 -10.303  25.247   5.517
  327   1H    ARG  47          3H        ARG  47   0.814  -4.091   1.530
  328   2H    ARG  47          2H        ARG  47   0.384  -2.482   1.197
  329   3H    ARG  47          1H        ARG  47  -0.274  -3.278   2.546
  330    HA   ARG  47           HA       ARG  47  -1.485  -4.792   1.139
  331   1HB   ARG  47          2HB       ARG  47  -2.452  -2.541   1.731
  332   2HB   ARG  47          1HB       ARG  47  -1.863  -1.938   0.183
  333   1HG   ARG  47          2HG       ARG  47  -3.238  -4.350  -0.380
  334   2HG   ARG  47          1HG       ARG  47  -4.259  -3.449   0.739
  335   1HD   ARG  47          2HD       ARG  47  -4.790  -2.809  -1.561
  336   2HD   ARG  47          1HD       ARG  47  -4.056  -1.449  -0.715
  337    HE   ARG  47           HE       ARG  47  -1.916  -2.042  -1.908
  338   1HH1  ARG  47          1HH1      ARG  47  -4.769  -1.723  -3.505
  339   2HH1  ARG  47          2HH1      ARG  47  -4.326  -2.620  -4.918
  340   1HH2  ARG  47          1HH2      ARG  47  -1.396  -3.868  -3.529
  341   2HH2  ARG  47          2HH2      ARG  47  -2.405  -3.828  -4.934
   
  No H/Q in entry =         341
  Start of MODEL    3
    1   1H5*    G  16          1H5*        G  16   0.396  25.277  -3.130
    2   2H5*    G  16          2H5*        G  16   0.989  26.946  -3.175
    3    H4*    G  16           H4*        G  16   1.640  26.747  -0.807
    4    H3*    G  16           H3*        G  16   0.528  23.969  -1.030
    5   1H2*    G  16          1H2*        G  16  -0.448  24.205   1.154
    6   2HO*    G  16          2HO*        G  16   0.921  26.709   1.281
    7    H1*    G  16           H1*        G  16  -1.575  26.681   0.686
    8    H8     G  16           H8         G  16  -1.692  25.050  -2.623
    9    H1     G  16           H1         G  16  -6.097  22.718   1.430
   10   1H2     G  16           H21        G  16  -4.289  24.399   3.868
   11   2H2     G  16           H22        G  16  -5.653  23.372   3.485
   12    H5T    G  16           H5T        G  16   2.516  24.625  -2.559
   13   1H5*    G  17          1H5*        G  17   1.847  24.006   2.841
   14   2H5*    G  17          2H5*        G  17   2.691  22.482   3.178
   15    H4*    G  17           H4*        G  17   0.784  22.868   4.663
   16    H3*    G  17           H3*        G  17   0.603  20.472   2.845
   17   1H2*    G  17          1H2*        G  17  -1.419  19.875   4.016
   18   2HO*    G  17          2HO*        G  17  -1.310  20.410   6.100
   19    H1*    G  17           H1*        G  17  -2.456  22.474   3.865
   20    H8     G  17           H8         G  17  -0.875  22.292   0.612
   21    H1     G  17           H1         G  17  -5.960  18.372   0.973
   22   1H2     G  17           H21        G  17  -5.698  18.869   4.397
   23   2H2     G  17           H22        G  17  -6.544  18.092   3.078
   24   1H5*    C  18          1H5*        C  18   0.948  17.677   6.733
   25   2H5*    C  18          2H5*        C  18   0.169  18.294   5.262
   26    H4*    C  18           H4*        C  18  -1.328  17.948   7.844
   27    H3*    C  18           H3*        C  18  -0.726  15.794   5.838
   28   1H2*    C  18          1H2*        C  18  -2.980  15.011   6.053
   29   2HO*    C  18          2HO*        C  18  -3.368  16.905   8.147
   30    H1*    C  18           H1*        C  18  -4.168  17.559   6.048
   31   1H4     C  18           H41        C  18  -2.985  16.239  -0.307
   32   2H4     C  18           H42        C  18  -4.527  15.486   0.036
   33    H5     C  18           H5         C  18  -1.603  17.253   1.410
   34    H6     C  18           H6         C  18  -1.421  17.737   3.794
   35   1H5*    C  19          1H5*        C  19  -1.990  11.336   8.098
   36   2H5*    C  19          2H5*        C  19  -1.993  12.012   6.457
   37    H4*    C  19           H4*        C  19  -4.271  11.950   8.428
   38    H3*    C  19           H3*        C  19  -3.718  10.374   5.944
   39   1H2*    C  19          1H2*        C  19  -6.023  10.536   5.296
   40   2HO*    C  19          2HO*        C  19  -7.409  10.505   6.900
   41    H1*    C  19           H1*        C  19  -6.300  13.243   5.807
   42   1H4     C  19           H41        C  19  -2.695  13.235   0.298
   43   2H4     C  19           H42        C  19  -4.308  12.832  -0.249
   44    H5     C  19           H5         C  19  -2.096  13.381   2.642
   45    H6     C  19           H6         C  19  -2.925  13.187   4.927
   46   1H5*    A  20          1H5*        A  20  -6.998   8.683   7.579
   47   2H5*    A  20          2H5*        A  20  -7.059   6.909   7.530
   48    H4*    A  20           H4*        A  20  -8.936   8.041   6.372
   49    H3*    A  20           H3*        A  20  -7.199   6.088   4.901
   50   1H2*    A  20          1H2*        A  20  -8.473   6.475   2.900
   51   2HO*    A  20          2HO*        A  20 -10.484   6.768   4.356
   52    H1*    A  20           H1*        A  20  -8.504   9.242   3.108
   53    H8     A  20           H8         A  20  -5.176   9.016   4.283
   54   1H6     A  20           H61        A  20  -2.743   7.814   0.245
   55   2H6     A  20           H62        A  20  -3.241   7.189  -1.312
   56    H2     A  20           H2         A  20  -7.705   6.713  -1.158
   57   1H5*    G  21          1H5*        G  21 -10.504   5.283   2.908
   58   2H5*    G  21          2H5*        G  21 -10.952   3.630   3.368
   59    H4*    G  21           H4*        G  21 -10.918   3.766   0.998
   60    H3*    G  21           H3*        G  21  -8.645   2.175   2.152
   61   1H2*    G  21          1H2*        G  21  -7.839   1.775  -0.057
   62   2HO*    G  21          2HO*        G  21  -9.126   1.802  -1.787
   63    H1*    G  21           H1*        G  21  -8.440   4.358  -1.067
   64    H8     G  21           H8         G  21  -6.796   4.574   2.300
   65    H1     G  21           H1         G  21  -2.702   3.885  -2.617
   66   1H2     G  21           H21        G  21  -5.555   3.188  -4.466
   67   2H2     G  21           H22        G  21  -3.816   3.362  -4.447
   68   1H5*    A  22          1H5*        A  22  -7.730  -1.853   0.720
   69   2H5*    A  22          2H5*        A  22  -7.259  -0.142   0.761
   70    H4*    A  22           H4*        A  22  -8.176  -1.298  -1.825
   71    H3*    A  22           H3*        A  22  -5.518  -1.970  -0.576
   72   1H2*    A  22          1H2*        A  22  -4.558  -1.807  -2.793
   73   2HO*    A  22          2HO*        A  22  -6.507  -0.847  -4.267
   74    H1*    A  22           H1*        A  22  -5.710   0.666  -3.276
   75    H8     A  22           H8         A  22  -5.196   0.777   0.373
   76   1H6     A  22           H61        A  22  -0.517   2.072   0.519
   77   2H6     A  22           H62        A  22   0.756   2.106  -0.681
   78    H2     A  22           H2         A  22  -1.057   0.700  -4.542
   79   1H5*    U  23          1H5*        U  23  -9.225  -4.538  -4.820
   80   2H5*    U  23          2H5*        U  23  -7.621  -5.041  -4.251
   81    H4*    U  23           H4*        U  23  -8.017  -2.497  -5.785
   82    H3*    U  23           H3*        U  23  -8.756  -4.734  -7.085
   83   1H2*    U  23          1H2*        U  23  -6.741  -6.008  -6.684
   84   2HO*    U  23          2HO*        U  23  -5.623  -6.001  -8.606
   85    H1*    U  23           H1*        U  23  -5.097  -3.487  -7.246
   86    H3     U  23           H3         U  23  -1.579  -6.349  -6.792
   87    H5     U  23           H5         U  23  -3.495  -6.391  -3.049
   88    H6     U  23           H6         U  23  -5.288  -5.119  -4.035
   89   1H5*    U  25          1H5*        U  25 -10.313  -0.410  -6.081
   90   2H5*    U  25          2H5*        U  25 -10.453   0.189  -7.747
   91    H4*    U  25           H4*        U  25  -8.573   1.656  -7.422
   92    H3*    U  25           H3*        U  25  -7.619   0.084  -5.400
   93   1H2*    U  25          1H2*        U  25  -9.241   0.780  -3.753
   94   2HO*    U  25          2HO*        U  25  -7.039   2.555  -3.780
   95    H1*    U  25           H1*        U  25  -8.981   3.574  -4.984
   96    H3     U  25           H3         U  25 -11.666   5.425  -1.918
   97    H5     U  25           H5         U  25 -13.620   1.810  -2.816
   98    H6     U  25           H6         U  25 -11.766   1.249  -4.251
   99   1H5*    G  26          1H5*        G  26  -6.552  -1.073  -9.013
  100   2H5*    G  26          2H5*        G  26  -5.595  -1.348  -7.547
  101    H4*    G  26           H4*        G  26  -4.754   0.013 -10.097
  102    H3*    G  26           H3*        G  26  -3.989  -2.602  -8.848
  103   1H2*    G  26          1H2*        G  26  -1.717  -2.275  -9.523
  104   2HO*    G  26          2HO*        G  26  -2.661  -0.034 -11.019
  105    H1*    G  26           H1*        G  26  -1.560   0.417  -8.843
  106    H8     G  26           H8         G  26  -3.607  -1.490  -6.302
  107    H1     G  26           H1         G  26   2.739  -1.704  -5.355
  108   1H2     G  26           H21        G  26   2.943  -0.337  -8.539
  109   2H2     G  26           H22        G  26   3.794  -0.924  -7.129
  110   1H5*    A  27          1H5*        A  27  -1.603  -5.506 -11.766
  111   2H5*    A  27          2H5*        A  27  -1.620  -4.976 -10.072
  112    H4*    A  27           H4*        A  27   0.207  -3.901 -12.219
  113    H3*    A  27           H3*        A  27   0.669  -6.126 -10.266
  114   1H2*    A  27          1H2*        A  27   2.895  -5.309  -9.862
  115   2HO*    A  27          2HO*        A  27   3.922  -4.183 -11.341
  116    H1*    A  27           H1*        A  27   2.173  -2.650  -9.555
  117    H8     A  27           H8         A  27  -0.732  -4.514  -8.206
  118   1H6     A  27           H61        A  27   0.873  -5.415  -3.711
  119   2H6     A  27           H62        A  27   2.424  -5.213  -2.926
  120    H2     A  27           H2         A  27   5.245  -3.576  -6.011
  121   1H5*    G  28          1H5*        G  28   4.943  -8.649 -12.182
  122   2H5*    G  28          2H5*        G  28   3.993  -8.805 -10.691
  123    H4*    G  28           H4*        G  28   6.347  -7.062 -11.287
  124    H3*    G  28           H3*        G  28   5.729  -9.105  -9.182
  125   1H2*    G  28          1H2*        G  28   7.039  -7.861  -7.597
  126   2HO*    G  28          2HO*        G  28   7.711  -6.094  -9.735
  127    H1*    G  28           H1*        G  28   5.922  -5.397  -8.192
  128    H8     G  28           H8         G  28   2.915  -7.263  -8.732
  129    H1     G  28           H1         G  28   4.617  -7.484  -2.534
  130   1H2     G  28           H21        G  28   7.708  -6.387  -3.667
  131   2H2     G  28           H22        G  28   6.717  -6.861  -2.305
  132   1H5*    C  29          1H5*        C  29   9.870 -10.034  -9.658
  133   2H5*    C  29          2H5*        C  29  10.195 -11.737  -9.281
  134    H4*    C  29           H4*        C  29  10.851 -10.154  -7.495
  135    H3*    C  29           H3*        C  29   8.852 -12.312  -6.847
  136   1H2*    C  29          1H2*        C  29   8.882 -11.523  -4.572
  137   2HO*    C  29          2HO*        C  29  10.541 -10.442  -3.773
  138    H1*    C  29           H1*        C  29   8.765  -8.800  -5.263
  139   1H4     C  29           H41        C  29   2.542 -10.910  -5.820
  140   2H4     C  29           H42        C  29   2.769 -10.663  -4.103
  141    H5     C  29           H5         C  29   4.353 -10.743  -7.427
  142    H6     C  29           H6         C  29   6.737 -10.309  -7.701
  143   1H5*    C  30          1H5*        C  30  11.577 -12.430  -3.777
  144   2H5*    C  30          2H5*        C  30  12.155 -14.090  -3.542
  145    H4*    C  30           H4*        C  30  11.286 -12.903  -1.506
  146    H3*    C  30           H3*        C  30  11.196 -15.584  -1.986
  147   1H2*    C  30          1H2*        C  30   8.920 -15.629  -2.812
  148   2HO*    C  30          2HO*        C  30   8.443 -15.606  -0.007
  149    H1*    C  30           H1*        C  30   8.275 -13.571  -0.628
  150   1H4     C  30           H41        C  30   3.299 -13.230  -4.977
  151   2H4     C  30           H42        C  30   2.582 -13.632  -3.433
  152    H5     C  30           H5         C  30   5.697 -13.080  -5.319
  153    H6     C  30           H6         C  30   7.880 -13.279  -4.245
  154   1H5*    U  31          1H5*        U  31  12.205 -17.606  -1.982
  155   2H5*    U  31          2H5*        U  31  12.499 -18.455  -0.452
  156    H4*    U  31           H4*        U  31  14.283 -18.900  -1.982
  157    H3*    U  31           H3*        U  31  14.815 -18.212   0.574
  158   1H2*    U  31          1H2*        U  31  15.214 -15.862   0.176
  159   2HO*    U  31          2HO*        U  31  17.198 -16.925   0.966
  160    H1*    U  31           H1*        U  31  16.713 -16.644  -2.380
  161    H3     U  31           H3         U  31  17.682 -12.321  -3.096
  162    H5     U  31           H5         U  31  13.572 -12.250  -2.216
  163    H6     U  31           H6         U  31  13.705 -14.610  -1.750
  164   1H5*    G  32          1H5*        G  32  14.769 -21.943   0.029
  165   2H5*    G  32          2H5*        G  32  13.928 -20.403  -0.243
  166    H4*    G  32           H4*        G  32  12.458 -21.956   0.837
  167    H3*    G  32           H3*        G  32  12.604 -19.426   1.718
  168   1H2*    G  32          1H2*        G  32  14.307 -19.814   3.405
  169   2HO*    G  32          2HO*        G  32  12.179 -20.613   5.036
  170    H1*    G  32           H1*        G  32  12.783 -22.353   4.195
  171    H8     G  32           H8         G  32  16.414 -21.945   3.070
  172    H1     G  32           H1         G  32  15.608 -23.374   9.289
  173   1H2     G  32           H21        G  32  12.231 -22.899   8.635
  174   2H2     G  32           H22        G  32  13.468 -23.302   9.806
  175   1H5*    G  33          1H5*        G  33   8.908 -23.236  -0.524
  176   2H5*    G  33          2H5*        G  33   8.032 -21.875   0.204
  177    H4*    G  33           H4*        G  33   7.182 -24.068   0.907
  178    H3*    G  33           H3*        G  33   7.342 -21.949   2.549
  179   1H2*    G  33          1H2*        G  33   9.508 -22.435   3.495
  180   2HO*    G  33          2HO*        G  33   9.123 -23.404   5.528
  181    H1*    G  33           H1*        G  33   8.721 -25.389   3.651
  182    H8     G  33           H8         G  33  11.518 -24.591   1.441
  183    H1     G  33           H1         G  33  13.454 -25.626   7.484
  184   1H2     G  33           H21        G  33  10.092 -25.289   8.282
  185   2H2     G  33           H22        G  33  11.724 -25.562   8.848
  186   1H5*    G  34          1H5*        G  34   3.799 -21.082   1.244
  187   2H5*    G  34          2H5*        G  34   5.453 -20.436   1.257
  188    H4*    G  34           H4*        G  34   3.203 -19.623   3.091
  189    H3*    G  34           H3*        G  34   3.326 -18.731   0.549
  190   1H2*    G  34          1H2*        G  34   5.568 -17.844   0.645
  191   2HO*    G  34          2HO*        G  34   4.142 -16.083   0.168
  192    H1*    G  34           H1*        G  34   4.930 -16.773   3.442
  193    H8     G  34           H8         G  34   7.090 -15.520   1.544
  194    H1     G  34           H1         G  34  10.690 -19.402   5.194
  195   1H2     G  34           H21        G  34   7.689 -20.992   5.911
  196   2H2     G  34           H22        G  34   9.420 -20.922   6.157
  197   1H5*    A  35          1H5*        A  35  -0.859 -15.719   0.435
  198   2H5*    A  35          2H5*        A  35  -0.428 -14.167   1.179
  199    H4*    A  35           H4*        A  35  -2.298 -14.822   2.357
  200    H3*    A  35           H3*        A  35   0.159 -15.516   3.925
  201   1H2*    A  35          1H2*        A  35  -1.198 -16.534   5.620
  202   2HO*    A  35          2HO*        A  35  -2.881 -14.855   5.431
  203    H1*    A  35           H1*        A  35  -2.868 -17.918   3.870
  204    H8     A  35           H8         A  35   0.863 -17.317   4.562
  205   1H6     A  35           H61        A  35   2.319 -21.946   4.233
  206   2H6     A  35           H62        A  35   1.510 -23.428   3.775
  207    H2     A  35           H2         A  35  -2.731 -22.342   2.766
  208   1H5*    G  36          1H5*        G  36   2.132 -15.532   4.843
  209   2H5*    G  36          2H5*        G  36   2.279 -14.471   6.257
  210    H4*    G  36           H4*        G  36   4.445 -14.730   5.410
  211    H3*    G  36           H3*        G  36   3.291 -12.044   4.733
  212   1H2*    G  36          1H2*        G  36   5.275 -11.493   3.521
  213   2HO*    G  36          2HO*        G  36   7.176 -12.415   3.934
  214    H1*    G  36           H1*        G  36   5.623 -14.017   2.320
  215    H8     G  36           H8         G  36   2.018 -13.456   2.027
  216    H1     G  36           H1         G  36   5.399  -9.819  -2.059
  217   1H2     G  36           H21        G  36   8.120 -10.698  -0.091
  218   2H2     G  36           H22        G  36   7.525  -9.814  -1.478
  219   1H5*    C  37          1H5*        C  37   5.689  -8.220   6.217
  220   2H5*    C  37          2H5*        C  37   4.672  -8.721   4.849
  221    H4*    C  37           H4*        C  37   7.689  -8.715   4.880
  222    H3*    C  37           H3*        C  37   5.779  -6.611   3.927
  223   1H2*    C  37          1H2*        C  37   7.145  -6.249   1.986
  224   2HO*    C  37          2HO*        C  37   9.232  -6.497   2.237
  225    H1*    C  37           H1*        C  37   7.519  -8.941   1.386
  226   1H4     C  37           H41        C  37   1.316  -7.817  -0.543
  227   2H4     C  37           H42        C  37   2.283  -7.015  -1.760
  228    H5     C  37           H5         C  37   2.265  -8.785   1.469
  229    H6     C  37           H6         C  37   4.329  -9.182   2.709
  230   1H5*    U  38          1H5*        U  38   8.787  -2.353   3.301
  231   2H5*    U  38          2H5*        U  38   7.212  -2.855   2.656
  232    H4*    U  38           H4*        U  38   9.945  -3.313   1.487
  233    H3*    U  38           H3*        U  38   7.613  -1.633   0.632
  234   1H2*    U  38          1H2*        U  38   8.098  -2.156  -1.664
  235   2HO*    U  38          2HO*        U  38  10.148  -2.424  -2.130
  236    H1*    U  38           H1*        U  38   8.382  -4.880  -1.274
  237    H3     U  38           H3         U  38   4.271  -3.858  -3.155
  238    H5     U  38           H5         U  38   3.692  -4.106   1.005
  239    H6     U  38           H6         U  38   6.084  -4.157   1.262
  240   1H5*    C  39          1H5*        C  39  10.423  -0.278  -1.915
  241   2H5*    C  39          2H5*        C  39  10.310   1.476  -2.160
  242    H4*    C  39           H4*        C  39   9.895   0.154  -4.201
  243    H3*    C  39           H3*        C  39   7.737   1.995  -3.204
  244   1H2*    C  39          1H2*        C  39   6.359   1.321  -5.013
  245   2HO*    C  39          2HO*        C  39   7.199   0.793  -6.889
  246    H1*    C  39           H1*        C  39   7.119  -1.410  -4.991
  247   1H4     C  39           H41        C  39   2.157  -0.940  -0.679
  248   2H4     C  39           H42        C  39   1.389  -1.093  -2.243
  249    H5     C  39           H5         C  39   4.560  -0.680  -0.414
  250    H6     C  39           H6         C  39   6.691  -0.500  -1.598
  251   1H5*    U  40          1H5*        U  40   6.944   5.591  -7.179
  252   2H5*    U  40          2H5*        U  40   6.281   5.086  -5.611
  253    H4*    U  40           H4*        U  40   6.082   3.686  -8.267
  254    H3*    U  40           H3*        U  40   4.048   5.029  -6.518
  255   1H2*    U  40          1H2*        U  40   2.446   3.333  -7.119
  256   2HO*    U  40          2HO*        U  40   2.612   2.295  -8.960
  257    H1*    U  40           H1*        U  40   4.155   1.190  -6.704
  258    H3     U  40           H3         U  40   1.139   1.697  -3.209
  259    H5     U  40           H5         U  40   4.688   3.640  -2.078
  260    H6     U  40           H6         U  40   5.493   3.316  -4.327
  261   1H5*    C  41          1H5*        C  41   2.070   4.432 -10.047
  262   2H5*    C  41          2H5*        C  41   1.037   5.793 -10.525
  263    H4*    C  41           H4*        C  41  -0.229   3.728 -10.250
  264    H3*    C  41           H3*        C  41  -0.892   6.007  -8.405
  265   1H2*    C  41          1H2*        C  41  -2.567   4.645  -7.376
  266   2HO*    C  41          2HO*        C  41  -2.650   3.521  -9.807
  267    H1*    C  41           H1*        C  41  -1.048   2.261  -7.381
  268   1H4     C  41           H41        C  41   1.005   5.312  -1.939
  269   2H4     C  41           H42        C  41  -0.507   4.558  -1.476
  270    H5     C  41           H5         C  41   1.767   5.432  -4.239
  271    H6     C  41           H6         C  41   1.271   4.784  -6.539
  272   1H5*    U  42          1H5*        U  42  -4.522   4.552  -9.987
  273   2H5*    U  42          2H5*        U  42  -5.539   5.894 -10.546
  274    H4*    U  42           H4*        U  42  -6.704   4.337  -9.034
  275    H3*    U  42           H3*        U  42  -6.462   7.224  -8.236
  276   1H2*    U  42          1H2*        U  42  -7.658   6.740  -6.222
  277   2HO*    U  42          2HO*        U  42  -8.111   4.081  -7.110
  278    H1*    U  42           H1*        U  42  -6.378   4.280  -5.702
  279    H3     U  42           H3         U  42  -5.315   7.484  -2.535
  280    H5     U  42           H5         U  42  -2.368   7.693  -5.525
  281    H6     U  42           H6         U  42  -3.741   6.253  -6.878
  282   1H5*    G  43          1H5*        G  43 -10.922   9.188  -7.277
  283   2H5*    G  43          2H5*        G  43  -9.237   9.376  -6.751
  284    H4*    G  43           H4*        G  43 -11.352   7.659  -5.461
  285    H3*    G  43           H3*        G  43 -10.286  10.361  -4.726
  286   1H2*    G  43          1H2*        G  43 -10.313   9.736  -2.399
  287   2HO*    G  43          2HO*        G  43 -11.542   8.146  -1.673
  288    H1*    G  43           H1*        G  43  -9.041   7.313  -2.762
  289    H8     G  43           H8         G  43  -7.245   8.857  -5.400
  290    H1     G  43           H1         G  43  -5.767  11.679   0.183
  291   1H2     G  43           H21        G  43  -8.643  10.146   1.367
  292   2H2     G  43           H22        G  43  -7.273  11.178   1.708
  293   1H5*    G  44          1H5*        G  44 -13.111   9.707  -2.077
  294   2H5*    G  44          2H5*        G  44 -14.353  10.972  -1.978
  295    H4*    G  44           H4*        G  44 -13.430  10.487   0.204
  296    H3*    G  44           H3*        G  44 -12.898  13.229  -0.899
  297   1H2*    G  44          1H2*        G  44 -11.675  13.768   1.084
  298   2HO*    G  44          2HO*        G  44 -13.057  12.877   2.628
  299    H1*    G  44           H1*        G  44 -10.379  11.267   1.320
  300    H8     G  44           H8         G  44 -10.046  11.908  -2.238
  301    H1     G  44           H1         G  44  -6.283  15.792   1.243
  302   1H2     G  44           H21        G  44  -8.259  14.790   3.915
  303   2H2     G  44           H22        G  44  -6.920  15.764   3.352
  304   1H5*    C  45          1H5*        C  45 -15.027  16.756   1.925
  305   2H5*    C  45          2H5*        C  45 -13.575  16.774   0.905
  306    H4*    C  45           H4*        C  45 -13.755  16.462   3.892
  307    H3*    C  45           H3*        C  45 -12.741  18.664   2.132
  308   1H2*    C  45          1H2*        C  45 -10.939  19.068   3.663
  309   2HO*    C  45          2HO*        C  45 -11.979  18.841   5.636
  310    H1*    C  45           H1*        C  45 -10.253  16.394   4.032
  311   1H4     C  45           H41        C  45  -7.818  17.704  -1.948
  312   2H4     C  45           H42        C  45  -6.733  18.547  -0.865
  313    H5     C  45           H5         C  45  -9.866  16.639  -1.199
  314    H6     C  45           H6         C  45 -11.276  16.165   0.735
  315   1H5*    C  46          1H5*        C  46 -13.124  22.665   5.950
  316   2H5*    C  46          2H5*        C  46 -12.510  22.829   4.293
  317    H4*    C  46           H4*        C  46 -11.085  22.389   6.827
  318    H3*    C  46           H3*        C  46 -10.521  23.862   4.278
  319   1H2*    C  46          1H2*        C  46  -8.165  23.614   4.651
  320   2HO*    C  46          2HO*        C  46  -7.376  22.740   6.617
  321    H1*    C  46           H1*        C  46  -8.259  20.924   5.358
  322   1H4     C  46           H41        C  46  -9.100  20.858  -1.189
  323   2H4     C  46           H42        C  46  -7.368  20.932  -0.953
  324    H5     C  46           H5         C  46 -10.687  21.042   0.635
  325    H6     C  46           H6         C  46 -10.930  21.340   3.044
  326    H3T    C  46           H3T        C  46 -10.253  24.382   7.032
  327   1H    ARG  47          3H        ARG  47  -1.361  -7.309   3.057
  328   2H    ARG  47          2H        ARG  47  -0.542  -5.881   2.640
  329   3H    ARG  47          1H        ARG  47  -1.824  -5.832   3.753
  330    HA   ARG  47           HA       ARG  47  -3.408  -6.409   2.069
  331   1HB   ARG  47          2HB       ARG  47  -2.548  -4.002   2.367
  332   2HB   ARG  47          1HB       ARG  47  -1.611  -4.279   0.898
  333   1HG   ARG  47          2HG       ARG  47  -4.213  -5.207   0.323
  334   2HG   ARG  47          1HG       ARG  47  -4.432  -3.676   1.171
  335   1HD   ARG  47          2HD       ARG  47  -2.506  -4.023  -1.140
  336   2HD   ARG  47          1HD       ARG  47  -4.169  -3.474  -1.345
  337    HE   ARG  47           HE       ARG  47  -3.549  -1.541   0.166
  338   1HH1  ARG  47          1HH1      ARG  47  -1.291  -1.166   1.282
  339   2HH1  ARG  47          2HH1      ARG  47  -0.039  -0.885   0.118
  340   1HH2  ARG  47          1HH2      ARG  47  -1.900  -2.095  -2.559
  341   2HH2  ARG  47          2HH2      ARG  47  -0.389  -1.408  -2.065
   
  No H/Q in entry =         341
  Start of MODEL    4
    1   1H5*    G  16          1H5*        G  16   3.040  21.592  -3.881
    2   2H5*    G  16          2H5*        G  16   1.611  22.515  -4.372
    3    H4*    G  16           H4*        G  16   3.139  23.110  -1.856
    4    H3*    G  16           H3*        G  16   0.926  21.099  -2.222
    5   1H2*    G  16          1H2*        G  16   0.073  21.742  -0.075
    6   2HO*    G  16          2HO*        G  16   1.453  22.396   1.384
    7    H1*    G  16           H1*        G  16   0.289  24.474  -0.574
    8    H8     G  16           H8         G  16  -0.708  23.055  -3.825
    9    H1     G  16           H1         G  16  -5.510  23.033   0.455
   10   1H2     G  16           H21        G  16  -3.018  23.782   2.758
   11   2H2     G  16           H22        G  16  -4.706  23.417   2.477
   12    H5T    G  16           H5T        G  16   3.591  23.317  -5.257
   13   1H5*    G  17          1H5*        G  17   4.314  17.950   0.754
   14   2H5*    G  17          2H5*        G  17   3.050  18.623  -0.290
   15    H4*    G  17           H4*        G  17   3.539  19.500   2.552
   16    H3*    G  17           H3*        G  17   1.687  17.355   1.542
   17   1H2*    G  17          1H2*        G  17   0.118  18.021   3.256
   18   2HO*    G  17          2HO*        G  17   1.111  18.740   5.026
   19    H1*    G  17           H1*        G  17   0.281  20.705   2.577
   20    H8     G  17           H8         G  17   0.712  19.448  -0.752
   21    H1     G  17           H1         G  17  -5.196  18.122   1.404
   22   1H2     G  17           H21        G  17  -3.895  18.894   4.526
   23   2H2     G  17           H22        G  17  -5.282  18.390   3.588
   24   1H5*    C  18          1H5*        C  18   1.890  15.299   6.043
   25   2H5*    C  18          2H5*        C  18   1.217  15.807   4.481
   26    H4*    C  18           H4*        C  18   0.219  16.846   7.125
   27    H3*    C  18           H3*        C  18  -0.606  14.315   5.738
   28   1H2*    C  18          1H2*        C  18  -2.905  14.811   6.246
   29   2HO*    C  18          2HO*        C  18  -2.062  17.135   7.653
   30    H1*    C  18           H1*        C  18  -2.789  17.479   5.468
   31   1H4     C  18           H41        C  18  -2.856  14.283  -0.292
   32   2H4     C  18           H42        C  18  -4.516  14.220   0.252
   33    H5     C  18           H5         C  18  -1.051  15.130   1.082
   34    H6     C  18           H6         C  18  -0.467  16.040   3.269
   35   1H5*    C  19          1H5*        C  19  -3.139  14.198   8.693
   36   2H5*    C  19          2H5*        C  19  -2.908  12.715   9.640
   37    H4*    C  19           H4*        C  19  -5.190  12.844   8.999
   38    H3*    C  19           H3*        C  19  -3.649  10.719   7.532
   39   1H2*    C  19          1H2*        C  19  -5.650  10.127   6.363
   40   2HO*    C  19          2HO*        C  19  -7.182  10.171   7.962
   41    H1*    C  19           H1*        C  19  -6.533  12.779   5.944
   42   1H4     C  19           H41        C  19  -2.177  11.630   1.124
   43   2H4     C  19           H42        C  19  -3.683  10.962   0.536
   44    H5     C  19           H5         C  19  -1.905  12.486   3.375
   45    H6     C  19           H6         C  19  -3.018  12.863   5.512
   46   1H5*    A  20          1H5*        A  20  -5.835   6.241   8.234
   47   2H5*    A  20          2H5*        A  20  -4.945   7.095   6.957
   48    H4*    A  20           H4*        A  20  -7.940   6.961   7.282
   49    H3*    A  20           H3*        A  20  -6.090   5.429   5.487
   50   1H2*    A  20          1H2*        A  20  -7.674   5.635   3.692
   51   2HO*    A  20          2HO*        A  20  -9.448   6.924   5.513
   52    H1*    A  20           H1*        A  20  -8.175   8.343   4.062
   53    H8     A  20           H8         A  20  -4.710   8.597   4.849
   54   1H6     A  20           H61        A  20  -2.638   8.066   0.477
   55   2H6     A  20           H62        A  20  -3.226   7.484  -1.064
   56    H2     A  20           H2         A  20  -7.528   6.343  -0.475
   57   1H5*    G  21          1H5*        G  21  -9.592   3.776   4.698
   58   2H5*    G  21          2H5*        G  21  -9.580   2.003   4.753
   59    H4*    G  21           H4*        G  21 -10.360   2.812   2.606
   60    H3*    G  21           H3*        G  21  -7.760   1.299   2.592
   61   1H2*    G  21          1H2*        G  21  -7.701   1.550   0.201
   62   2HO*    G  21          2HO*        G  21  -9.773   1.272  -0.468
   63    H1*    G  21           H1*        G  21  -8.429   4.252   0.209
   64    H8     G  21           H8         G  21  -6.204   3.848   3.141
   65    H1     G  21           H1         G  21  -3.019   3.935  -2.444
   66   1H2     G  21           H21        G  21  -6.154   3.510  -3.870
   67   2H2     G  21           H22        G  21  -4.431   3.686  -4.116
   68   1H5*    A  22          1H5*        A  22  -9.701  -2.189  -1.395
   69   2H5*    A  22          2H5*        A  22  -8.065  -1.972  -0.744
   70    H4*    A  22           H4*        A  22  -9.497  -0.315  -2.808
   71    H3*    A  22           H3*        A  22  -7.103  -2.122  -2.940
   72   1H2*    A  22          1H2*        A  22  -6.054  -0.620  -4.480
   73   2HO*    A  22          2HO*        A  22  -8.562   0.735  -4.588
   74    H1*    A  22           H1*        A  22  -6.800   1.747  -3.168
   75    H8     A  22           H8         A  22  -5.903  -0.063  -0.221
   76   1H6     A  22           H61        A  22  -1.052   0.104  -0.427
   77   2H6     A  22           H62        A  22   0.083   0.473  -1.707
   78    H2     A  22           H2         A  22  -2.337   1.331  -5.390
   79   1H5*    U  23          1H5*        U  23  -8.172  -5.825  -6.037
   80   2H5*    U  23          2H5*        U  23  -7.356  -4.964  -4.719
   81    H4*    U  23           H4*        U  23  -7.973  -2.983  -6.558
   82    H3*    U  23           H3*        U  23  -8.222  -5.089  -8.208
   83   1H2*    U  23          1H2*        U  23  -6.069  -6.092  -7.764
   84   2HO*    U  23          2HO*        U  23  -5.444  -5.941  -9.779
   85    H1*    U  23           H1*        U  23  -4.821  -3.295  -7.812
   86    H3     U  23           H3         U  23  -1.060  -5.955  -7.531
   87    H5     U  23           H5         U  23  -2.909  -6.099  -3.756
   88    H6     U  23           H6         U  23  -4.845  -5.061  -4.748
   89   1H5*    U  25          1H5*        U  25 -11.091  -0.961  -7.224
   90   2H5*    U  25          2H5*        U  25 -11.374  -1.519  -8.885
   91    H4*    U  25           H4*        U  25 -10.083   0.185  -9.811
   92    H3*    U  25           H3*        U  25  -8.300   0.082  -7.749
   93   1H2*    U  25          1H2*        U  25  -9.686   1.319  -6.188
   94   2HO*    U  25          2HO*        U  25  -8.871   3.436  -6.178
   95    H1*    U  25           H1*        U  25 -10.435   3.054  -8.605
   96    H3     U  25           H3         U  25 -12.953   5.907  -6.256
   97    H5     U  25           H5         U  25 -13.709   2.235  -4.351
   98    H6     U  25           H6         U  25 -12.124   1.214  -5.851
   99   1H5*    G  26          1H5*        G  26  -6.160  -2.090 -10.767
  100   2H5*    G  26          2H5*        G  26  -5.549  -1.418  -9.245
  101    H4*    G  26           H4*        G  26  -4.712  -0.526 -11.998
  102    H3*    G  26           H3*        G  26  -3.493  -2.617 -10.240
  103   1H2*    G  26          1H2*        G  26  -1.297  -1.787 -10.749
  104   2HO*    G  26          2HO*        G  26  -1.010  -0.975 -12.682
  105    H1*    G  26           H1*        G  26  -1.889   0.881 -10.361
  106    H8     G  26           H8         G  26  -4.098  -0.633  -7.878
  107    H1     G  26           H1         G  26   2.070  -0.926  -6.113
  108   1H2     G  26           H21        G  26   2.739  -0.111  -9.418
  109   2H2     G  26           H22        G  26   3.374  -0.481  -7.829
  110   1H5*    A  27          1H5*        A  27  -0.644  -5.781 -12.199
  111   2H5*    A  27          2H5*        A  27  -0.859  -5.170 -10.547
  112    H4*    A  27           H4*        A  27   1.208  -4.325 -12.569
  113    H3*    A  27           H3*        A  27   1.379  -6.026 -10.114
  114   1H2*    A  27          1H2*        A  27   3.498  -5.029  -9.556
  115   2HO*    A  27          2HO*        A  27   4.314  -4.863 -11.711
  116    H1*    A  27           H1*        A  27   2.670  -2.416  -9.912
  117    H8     A  27           H8         A  27  -0.510  -3.710  -8.790
  118   1H6     A  27           H61        A  27   0.244  -4.120  -4.008
  119   2H6     A  27           H62        A  27   1.675  -4.035  -3.007
  120    H2     A  27           H2         A  27   5.152  -3.324  -5.756
  121   1H5*    G  28          1H5*        G  28   5.960  -8.944 -11.274
  122   2H5*    G  28          2H5*        G  28   4.922  -8.825  -9.841
  123    H4*    G  28           H4*        G  28   7.270  -7.155 -10.646
  124    H3*    G  28           H3*        G  28   6.576  -8.771  -8.217
  125   1H2*    G  28          1H2*        G  28   7.768  -7.198  -6.842
  126   2HO*    G  28          2HO*        G  28   8.620  -6.082  -9.327
  127    H1*    G  28           H1*        G  28   6.642  -4.932  -7.981
  128    H8     G  28           H8         G  28   3.614  -6.663  -8.269
  129    H1     G  28           H1         G  28   5.248  -6.349  -2.061
  130   1H2     G  28           H21        G  28   8.421  -5.606  -3.258
  131   2H2     G  28           H22        G  28   7.390  -5.864  -1.868
  132   1H5*    C  29          1H5*        C  29  10.177  -7.951  -7.058
  133   2H5*    C  29          2H5*        C  29  11.155  -9.428  -7.168
  134    H4*    C  29           H4*        C  29  11.547  -8.528  -5.036
  135    H3*    C  29           H3*        C  29   9.753 -10.932  -4.941
  136   1H2*    C  29          1H2*        C  29   9.540 -10.686  -2.576
  137   2HO*    C  29          2HO*        C  29  11.665  -8.791  -2.798
  138    H1*    C  29           H1*        C  29   9.326  -7.875  -2.569
  139   1H4     C  29           H41        C  29   3.226  -9.916  -3.976
  140   2H4     C  29           H42        C  29   3.326  -9.951  -2.230
  141    H5     C  29           H5         C  29   5.146  -9.499  -5.396
  142    H6     C  29           H6         C  29   7.529  -8.979  -5.424
  143   1H5*    C  30          1H5*        C  30  11.906 -11.913  -2.050
  144   2H5*    C  30          2H5*        C  30  12.891 -13.371  -2.278
  145    H4*    C  30           H4*        C  30  11.626 -13.531  -0.245
  146    H3*    C  30           H3*        C  30  11.747 -15.611  -1.970
  147   1H2*    C  30          1H2*        C  30   9.656 -15.173  -3.100
  148   2HO*    C  30          2HO*        C  30   8.913 -16.642  -0.769
  149    H1*    C  30           H1*        C  30   8.452 -14.491  -0.364
  150   1H4     C  30           H41        C  30   4.575 -11.931  -5.107
  151   2H4     C  30           H42        C  30   3.526 -12.684  -3.927
  152    H5     C  30           H5         C  30   6.994 -11.973  -4.936
  153    H6     C  30           H6         C  30   8.886 -12.754  -3.606
  154   1H5*    U  31          1H5*        U  31  11.471 -17.945  -1.860
  155   2H5*    U  31          2H5*        U  31  12.144 -19.038  -0.635
  156    H4*    U  31           H4*        U  31  12.732 -19.739  -2.876
  157    H3*    U  31           H3*        U  31  14.542 -19.720  -0.840
  158   1H2*    U  31          1H2*        U  31  15.604 -17.637  -1.433
  159   2HO*    U  31          2HO*        U  31  17.151 -19.433  -1.642
  160    H1*    U  31           H1*        U  31  15.331 -18.499  -4.364
  161    H3     U  31           H3         U  31  17.279 -14.800  -5.941
  162    H5     U  31           H5         U  31  15.078 -13.350  -2.665
  163    H6     U  31           H6         U  31  14.416 -15.620  -2.200
  164   1H5*    G  32          1H5*        G  32  13.965 -20.948   0.436
  165   2H5*    G  32          2H5*        G  32  14.894 -22.156   1.338
  166    H4*    G  32           H4*        G  32  12.672 -23.341  -0.103
  167    H3*    G  32           H3*        G  32  11.747 -20.946   0.644
  168   1H2*    G  32          1H2*        G  32  12.538 -21.065   2.943
  169   2HO*    G  32          2HO*        G  32   9.874 -21.659   2.561
  170    H1*    G  32           H1*        G  32  11.438 -23.928   3.015
  171    H8     G  32           H8         G  32  14.257 -21.578   4.239
  172    H1     G  32           H1         G  32  12.851 -26.557   8.062
  173   1H2     G  32           H21        G  32  10.636 -27.458   5.544
  174   2H2     G  32           H22        G  32  11.318 -27.826   7.113
  175   1H5*    G  33          1H5*        G  33   7.320 -20.692  -0.454
  176   2H5*    G  33          2H5*        G  33   8.231 -21.174   0.991
  177    H4*    G  33           H4*        G  33   5.764 -22.507  -0.119
  178    H3*    G  33           H3*        G  33   5.617 -20.262   1.347
  179   1H2*    G  33          1H2*        G  33   6.904 -21.030   3.239
  180   2HO*    G  33          2HO*        G  33   4.965 -20.501   4.197
  181    H1*    G  33           H1*        G  33   5.473 -23.730   3.051
  182    H8     G  33           H8         G  33   9.110 -23.698   2.514
  183    H1     G  33           H1         G  33   7.561 -24.496   8.704
  184   1H2     G  33           H21        G  33   4.376 -23.544   7.703
  185   2H2     G  33           H22        G  33   5.427 -24.043   9.009
  186   1H5*    G  34          1H5*        G  34   2.413 -20.735   2.913
  187   2H5*    G  34          2H5*        G  34   1.047 -19.683   2.493
  188    H4*    G  34           H4*        G  34   2.342 -18.899   4.434
  189    H3*    G  34           H3*        G  34   1.242 -17.255   2.616
  190   1H2*    G  34          1H2*        G  34   3.174 -17.077   1.172
  191   2HO*    G  34          2HO*        G  34   4.182 -15.075   1.698
  192    H1*    G  34           H1*        G  34   4.913 -16.829   3.683
  193    H8     G  34           H8         G  34   4.839 -16.893   0.014
  194    H1     G  34           H1         G  34  10.329 -19.260   2.385
  195   1H2     G  34           H21        G  34   8.635 -19.306   5.414
  196   2H2     G  34           H22        G  34  10.119 -19.632   4.547
  197   1H5*    A  35          1H5*        A  35  -1.919 -15.201   4.355
  198   2H5*    A  35          2H5*        A  35  -1.794 -14.722   2.651
  199    H4*    A  35           H4*        A  35  -0.349 -13.215   4.796
  200    H3*    A  35           H3*        A  35  -2.982 -13.306   5.177
  201   1H2*    A  35          1H2*        A  35  -3.648 -12.757   2.915
  202   2HO*    A  35          2HO*        A  35  -3.263 -10.227   4.180
  203    H1*    A  35           H1*        A  35  -1.524 -10.558   2.844
  204    H8     A  35           H8         A  35  -1.406 -13.533   0.547
  205   1H6     A  35           H61        A  35  -3.058 -11.396  -3.505
  206   2H6     A  35           H62        A  35  -3.782  -9.836  -3.826
  207    H2     A  35           H2         A  35  -3.995  -7.660   0.097
  208   1H5*    G  36          1H5*        G  36   0.760 -10.261   6.666
  209   2H5*    G  36          2H5*        G  36   0.616 -11.153   5.139
  210    H4*    G  36           H4*        G  36   2.619 -11.726   7.322
  211    H3*    G  36           H3*        G  36   2.895 -10.019   4.874
  212   1H2*    G  36          1H2*        G  36   5.095 -10.918   4.502
  213   2HO*    G  36          2HO*        G  36   6.141 -12.167   6.021
  214    H1*    G  36           H1*        G  36   4.372 -13.571   4.855
  215    H8     G  36           H8         G  36   1.379 -13.210   3.300
  216    H1     G  36           H1         G  36   5.857 -11.150  -0.823
  217   1H2     G  36           H21        G  36   7.909 -10.975   1.969
  218   2H2     G  36           H22        G  36   7.739 -10.743   0.243
  219   1H5*    C  37          1H5*        C  37   6.590  -9.610   5.553
  220   2H5*    C  37          2H5*        C  37   6.726  -8.073   6.429
  221    H4*    C  37           H4*        C  37   8.417  -8.070   4.801
  222    H3*    C  37           H3*        C  37   6.131  -6.264   4.091
  223   1H2*    C  37          1H2*        C  37   7.215  -5.704   2.025
  224   2HO*    C  37          2HO*        C  37   9.347  -5.525   2.615
  225    H1*    C  37           H1*        C  37   7.924  -8.311   1.347
  226   1H4     C  37           H41        C  37   1.476  -8.184   0.022
  227   2H4     C  37           H42        C  37   2.170  -7.190  -1.239
  228    H5     C  37           H5         C  37   2.761  -9.017   1.900
  229    H6     C  37           H6         C  37   4.968  -9.082   2.933
  230   1H5*    U  38          1H5*        U  38   8.016  -1.554   3.382
  231   2H5*    U  38          2H5*        U  38   6.610  -2.435   2.751
  232    H4*    U  38           H4*        U  38   9.328  -2.132   1.487
  233    H3*    U  38           H3*        U  38   6.643  -0.971   0.817
  234   1H2*    U  38          1H2*        U  38   7.138  -1.219  -1.523
  235   2HO*    U  38          2HO*        U  38   9.147  -1.213  -2.200
  236    H1*    U  38           H1*        U  38   8.060  -3.824  -1.337
  237    H3     U  38           H3         U  38   3.774  -3.675  -3.076
  238    H5     U  38           H5         U  38   3.401  -4.345   1.061
  239    H6     U  38           H6         U  38   5.742  -3.828   1.280
  240   1H5*    C  39          1H5*        C  39   9.401   0.828  -1.738
  241   2H5*    C  39          2H5*        C  39   9.030   2.545  -1.989
  242    H4*    C  39           H4*        C  39   9.091   1.207  -4.067
  243    H3*    C  39           H3*        C  39   6.567   2.678  -3.351
  244   1H2*    C  39          1H2*        C  39   5.580   1.867  -5.370
  245   2HO*    C  39          2HO*        C  39   8.105   0.779  -6.112
  246    H1*    C  39           H1*        C  39   6.639  -0.744  -5.181
  247   1H4     C  39           H41        C  39   1.266  -0.859  -1.377
  248   2H4     C  39           H42        C  39   0.687  -1.198  -2.990
  249    H5     C  39           H5         C  39   3.536  -0.173  -0.912
  250    H6     C  39           H6         C  39   5.734   0.244  -1.884
  251   1H5*    U  40          1H5*        U  40   5.660   6.513  -6.932
  252   2H5*    U  40          2H5*        U  40   4.978   5.708  -5.505
  253    H4*    U  40           H4*        U  40   5.207   4.639  -8.311
  254    H3*    U  40           H3*        U  40   2.850   5.510  -6.668
  255   1H2*    U  40          1H2*        U  40   1.558   3.712  -7.631
  256   2HO*    U  40          2HO*        U  40   2.509   2.358  -9.249
  257    H1*    U  40           H1*        U  40   3.468   1.763  -7.198
  258    H3     U  40           H3         U  40   0.041   1.699  -4.027
  259    H5     U  40           H5         U  40   3.383   3.563  -2.298
  260    H6     U  40           H6         U  40   4.381   3.643  -4.487
  261   1H5*    C  41          1H5*        C  41   1.095   4.983 -10.181
  262   2H5*    C  41          2H5*        C  41   0.004   6.309 -10.629
  263    H4*    C  41           H4*        C  41  -1.165   4.181 -10.488
  264    H3*    C  41           H3*        C  41  -1.984   6.332  -8.559
  265   1H2*    C  41          1H2*        C  41  -3.613   4.840  -7.623
  266   2HO*    C  41          2HO*        C  41  -2.944   3.022  -9.720
  267    H1*    C  41           H1*        C  41  -1.941   2.598  -7.543
  268   1H4     C  41           H41        C  41   0.085   5.879  -2.247
  269   2H4     C  41           H42        C  41  -1.504   5.308  -1.784
  270    H5     C  41           H5         C  41   0.927   5.733  -4.513
  271    H6     C  41           H6         C  41   0.439   4.965  -6.774
  272   1H5*    U  42          1H5*        U  42  -5.610   4.695  -9.715
  273   2H5*    U  42          2H5*        U  42  -6.666   6.024 -10.228
  274    H4*    U  42           H4*        U  42  -7.707   4.634  -8.520
  275    H3*    U  42           H3*        U  42  -7.175   7.508  -7.835
  276   1H2*    U  42          1H2*        U  42  -8.086   7.150  -5.661
  277   2HO*    U  42          2HO*        U  42  -9.198   4.843  -6.867
  278    H1*    U  42           H1*        U  42  -7.002   4.551  -5.293
  279    H3     U  42           H3         U  42  -5.216   7.374  -2.145
  280    H5     U  42           H5         U  42  -2.803   7.769  -5.564
  281    H6     U  42           H6         U  42  -4.453   6.513  -6.784
  282   1H5*    G  43          1H5*        G  43 -11.719   9.482  -6.391
  283   2H5*    G  43          2H5*        G  43 -10.026   9.606  -5.871
  284    H4*    G  43           H4*        G  43 -12.168   7.835  -4.703
  285    H3*    G  43           H3*        G  43 -10.966  10.405  -3.734
  286   1H2*    G  43          1H2*        G  43 -10.979   9.554  -1.483
  287   2HO*    G  43          2HO*        G  43 -12.711   8.342  -1.125
  288    H1*    G  43           H1*        G  43  -9.870   7.095  -2.112
  289    H8     G  43           H8         G  43  -7.999   8.874  -4.569
  290    H1     G  43           H1         G  43  -6.311  10.821   1.320
  291   1H2     G  43           H21        G  43  -9.262   9.302   2.331
  292   2H2     G  43           H22        G  43  -7.832  10.200   2.787
  293   1H5*    G  44          1H5*        G  44 -13.766   9.913  -0.980
  294   2H5*    G  44          2H5*        G  44 -14.829  11.327  -0.846
  295    H4*    G  44           H4*        G  44 -13.897  10.829   1.298
  296    H3*    G  44           H3*        G  44 -12.898  13.372   0.051
  297   1H2*    G  44          1H2*        G  44 -11.517  13.742   1.975
  298   2HO*    G  44          2HO*        G  44 -12.982  13.114   3.591
  299    H1*    G  44           H1*        G  44 -10.620  11.094   2.201
  300    H8     G  44           H8         G  44 -10.641  11.654  -1.428
  301    H1     G  44           H1         G  44  -5.791  14.701   1.491
  302   1H2     G  44           H21        G  44  -7.527  14.010   4.414
  303   2H2     G  44           H22        G  44  -6.121  14.737   3.668
  304   1H5*    C  45          1H5*        C  45 -13.874  17.301   2.979
  305   2H5*    C  45          2H5*        C  45 -12.636  16.919   1.766
  306    H4*    C  45           H4*        C  45 -12.439  16.597   4.756
  307    H3*    C  45           H3*        C  45 -11.253  18.611   2.878
  308   1H2*    C  45          1H2*        C  45  -9.202  18.563   4.133
  309   2HO*    C  45          2HO*        C  45  -9.463  18.278   6.222
  310    H1*    C  45           H1*        C  45  -9.027  15.802   4.278
  311   1H4     C  45           H41        C  45  -7.535  16.971  -2.031
  312   2H4     C  45           H42        C  45  -6.110  17.493  -1.162
  313    H5     C  45           H5         C  45  -9.584  16.311  -0.923
  314    H6     C  45           H6         C  45 -10.676  16.008   1.237
  315   1H5*    C  46          1H5*        C  46 -10.455  20.044   6.498
  316   2H5*    C  46          2H5*        C  46 -10.787  21.765   6.775
  317    H4*    C  46           H4*        C  46  -8.490  21.295   7.257
  318    H3*    C  46           H3*        C  46  -8.938  23.006   4.830
  319   1H2*    C  46          1H2*        C  46  -6.563  23.127   4.527
  320   2HO*    C  46          2HO*        C  46  -5.567  23.328   6.412
  321    H1*    C  46           H1*        C  46  -6.069  20.412   5.089
  322   1H4     C  46           H41        C  46  -8.112  20.464  -1.181
  323   2H4     C  46           H42        C  46  -6.408  20.854  -1.262
  324    H5     C  46           H5         C  46  -9.327  20.291   0.913
  325    H6     C  46           H6         C  46  -9.146  20.458   3.342
  326    H3T    C  46           H3T        C  46  -8.082  24.507   6.308
  327   1H    ARG  47          3H        ARG  47   0.631  -5.628   2.968
  328   2H    ARG  47          2H        ARG  47   1.258  -5.659   1.390
  329   3H    ARG  47          1H        ARG  47   1.063  -4.178   2.199
  330    HA   ARG  47           HA       ARG  47  -1.318  -4.399   2.170
  331   1HB   ARG  47          2HB       ARG  47   0.038  -3.525   0.149
  332   2HB   ARG  47          1HB       ARG  47  -0.339  -5.072  -0.609
  333   1HG   ARG  47          2HG       ARG  47  -2.722  -4.657  -0.409
  334   2HG   ARG  47          1HG       ARG  47  -2.431  -3.191   0.531
  335   1HD   ARG  47          2HD       ARG  47  -1.862  -1.962  -1.310
  336   2HD   ARG  47          1HD       ARG  47  -1.074  -3.328  -2.103
  337    HE   ARG  47           HE       ARG  47  -3.953  -3.664  -1.988
  338   1HH1  ARG  47          1HH2      ARG  47  -1.358  -3.584  -4.046
  339   2HH1  ARG  47          2HH2      ARG  47  -2.181  -2.834  -5.369
  340   1HH2  ARG  47          1HH1      ARG  47  -5.012  -2.058  -3.514
  341   2HH2  ARG  47          2HH1      ARG  47  -4.247  -1.948  -5.064
   
  No H/Q in entry =         341
  Start of MODEL    5
    1   1H5*    G  16          1H5*        G  16   2.213  24.180  -4.242
    2   2H5*    G  16          2H5*        G  16   0.560  23.545  -4.233
    3    H4*    G  16           H4*        G  16   2.066  24.813  -1.957
    4    H3*    G  16           H3*        G  16   1.230  21.983  -2.505
    5   1H2*    G  16          1H2*        G  16   0.737  21.688  -0.177
    6   2HO*    G  16          2HO*        G  16   2.345  22.709   0.900
    7    H1*    G  16           H1*        G  16  -0.585  24.124   0.162
    8    H8     G  16           H8         G  16  -1.239  22.543  -3.229
    9    H1     G  16           H1         G  16  -5.155  20.561   1.471
   10   1H2     G  16           H21        G  16  -3.009  22.307   3.568
   11   2H2     G  16           H22        G  16  -4.443  21.318   3.414
   12    H5T    G  16           H5T        G  16   1.418  26.240  -4.021
   13   1H5*    G  17          1H5*        G  17   4.475  19.634   1.305
   14   2H5*    G  17          2H5*        G  17   3.064  19.096   0.374
   15    H4*    G  17           H4*        G  17   3.162  20.615   2.960
   16    H3*    G  17           H3*        G  17   2.075  17.936   2.169
   17   1H2*    G  17          1H2*        G  17   0.237  18.225   3.681
   18   2HO*    G  17          2HO*        G  17   1.511  19.202   5.375
   19    H1*    G  17           H1*        G  17  -0.313  20.873   2.993
   20    H8     G  17           H8         G  17   0.621  19.440  -0.247
   21    H1     G  17           H1         G  17  -5.183  17.476   1.698
   22   1H2     G  17           H21        G  17  -4.226  18.729   4.790
   23   2H2     G  17           H22        G  17  -5.457  17.932   3.835
   24   1H5*    C  18          1H5*        C  18   1.780  14.736   5.822
   25   2H5*    C  18          2H5*        C  18   0.981  14.889   4.246
   26    H4*    C  18           H4*        C  18  -0.030  15.774   6.938
   27    H3*    C  18           H3*        C  18  -0.891  13.629   5.024
   28   1H2*    C  18          1H2*        C  18  -3.186  14.000   5.673
   29   2HO*    C  18          2HO*        C  18  -3.712  14.994   7.476
   30    H1*    C  18           H1*        C  18  -3.057  16.711   5.242
   31   1H4     C  18           H41        C  18  -2.499  14.286  -0.867
   32   2H4     C  18           H42        C  18  -4.161  13.945  -0.441
   33    H5     C  18           H5         C  18  -0.886  15.165   0.717
   34    H6     C  18           H6         C  18  -0.542  15.869   3.027
   35   1H5*    C  19          1H5*        C  19  -2.649  11.230   9.428
   36   2H5*    C  19          2H5*        C  19  -2.331  11.431   7.694
   37    H4*    C  19           H4*        C  19  -4.878  12.076   9.173
   38    H3*    C  19           H3*        C  19  -4.149   9.811   7.340
   39   1H2*    C  19          1H2*        C  19  -6.357   9.901   6.398
   40   2HO*    C  19          2HO*        C  19  -8.017  10.954   7.361
   41    H1*    C  19           H1*        C  19  -6.440  12.678   6.150
   42   1H4     C  19           H41        C  19  -2.594  10.843   1.126
   43   2H4     C  19           H42        C  19  -4.227  10.575   0.556
   44    H5     C  19           H5         C  19  -2.080  11.448   3.418
   45    H6     C  19           H6         C  19  -3.028  11.923   5.615
   46   1H5*    A  20          1H5*        A  20  -7.850   8.547   8.685
   47   2H5*    A  20          2H5*        A  20  -7.761   6.813   9.055
   48    H4*    A  20           H4*        A  20  -9.437   7.299   7.357
   49    H3*    A  20           H3*        A  20  -7.111   5.579   6.550
   50   1H2*    A  20          1H2*        A  20  -8.003   5.433   4.343
   51   2HO*    A  20          2HO*        A  20 -10.123   5.090   4.484
   52    H1*    A  20           H1*        A  20  -8.913   8.113   4.197
   53    H8     A  20           H8         A  20  -5.487   8.260   5.596
   54   1H6     A  20           H61        A  20  -2.950   8.173   1.442
   55   2H6     A  20           H62        A  20  -3.374   7.792  -0.212
   56    H2     A  20           H2         A  20  -7.745   6.764  -0.233
   57   1H5*    G  21          1H5*        G  21  -7.416   1.243   5.594
   58   2H5*    G  21          2H5*        G  21  -6.104   2.131   4.797
   59    H4*    G  21           H4*        G  21  -8.887   1.595   3.882
   60    H3*    G  21           H3*        G  21  -6.157   1.361   2.659
   61   1H2*    G  21          1H2*        G  21  -7.149   1.683   0.472
   62   2HO*    G  21          2HO*        G  21  -9.176   0.968   0.361
   63    H1*    G  21           H1*        G  21  -8.373   4.009   1.212
   64    H8     G  21           H8         G  21  -5.722   4.272   3.619
   65    H1     G  21           H1         G  21  -3.397   4.737  -2.356
   66   1H2     G  21           H21        G  21  -6.463   3.417  -3.306
   67   2H2     G  21           H22        G  21  -4.891   4.002  -3.801
   68   1H5*    A  22          1H5*        A  22  -8.227  -2.637  -0.046
   69   2H5*    A  22          2H5*        A  22  -7.003  -1.483   0.519
   70    H4*    A  22           H4*        A  22  -8.875  -0.954  -1.777
   71    H3*    A  22           H3*        A  22  -6.197  -2.308  -1.829
   72   1H2*    A  22          1H2*        A  22  -5.562  -1.053  -3.763
   73   2HO*    A  22          2HO*        A  22  -7.644  -1.136  -4.803
   74    H1*    A  22           H1*        A  22  -6.463   1.399  -2.814
   75    H8     A  22           H8         A  22  -5.327   0.237   0.366
   76   1H6     A  22           H61        A  22  -0.514   0.729  -0.076
   77   2H6     A  22           H62        A  22   0.552   0.935  -1.448
   78    H2     A  22           H2         A  22  -2.039   0.950  -5.117
   79   1H5*    U  23          1H5*        U  23  -8.998  -5.536  -5.438
   80   2H5*    U  23          2H5*        U  23  -7.890  -5.034  -4.147
   81    H4*    U  23           H4*        U  23  -8.416  -2.893  -6.033
   82    H3*    U  23           H3*        U  23  -8.398  -5.132  -7.521
   83   1H2*    U  23          1H2*        U  23  -6.315  -6.039  -6.707
   84   2HO*    U  23          2HO*        U  23  -6.204  -5.427  -9.062
   85    H1*    U  23           H1*        U  23  -5.106  -3.227  -6.794
   86    H3     U  23           H3         U  23  -1.377  -5.687  -5.710
   87    H5     U  23           H5         U  23  -3.889  -5.868  -2.345
   88    H6     U  23           H6         U  23  -5.624  -4.864  -3.677
   89   1H5*    U  25          1H5*        U  25 -11.125  -0.555  -7.325
   90   2H5*    U  25          2H5*        U  25 -10.964  -0.971  -9.043
   91    H4*    U  25           H4*        U  25  -8.804   0.160  -9.115
   92    H3*    U  25           H3*        U  25  -8.565   0.008  -6.401
   93   1H2*    U  25          1H2*        U  25 -10.270   1.655  -5.920
   94   2HO*    U  25          2HO*        U  25  -7.865   3.106  -6.423
   95    H1*    U  25           H1*        U  25  -9.151   3.169  -8.344
   96    H3     U  25           H3         U  25 -12.275   6.332  -8.855
   97    H5     U  25           H5         U  25 -13.898   3.902  -5.833
   98    H6     U  25           H6         U  25 -12.032   2.410  -6.130
   99   1H5*    G  26          1H5*        G  26  -6.423  -2.177 -10.155
  100   2H5*    G  26          2H5*        G  26  -5.475  -2.243  -8.658
  101    H4*    G  26           H4*        G  26  -4.730  -1.181 -11.348
  102    H3*    G  26           H3*        G  26  -3.542  -3.208  -9.485
  103   1H2*    G  26          1H2*        G  26  -1.342  -2.591 -10.236
  104   2HO*    G  26          2HO*        G  26  -1.007  -1.295 -12.007
  105    H1*    G  26           H1*        G  26  -1.726   0.133 -10.011
  106    H8     G  26           H8         G  26  -3.804  -1.399  -7.313
  107    H1     G  26           H1         G  26   2.458  -1.133  -5.895
  108   1H2     G  26           H21        G  26   2.867  -0.376  -9.256
  109   2H2     G  26           H22        G  26   3.622  -0.648  -7.701
  110   1H5*    A  27          1H5*        A  27  -0.499  -6.261 -12.350
  111   2H5*    A  27          2H5*        A  27  -0.714  -5.915 -10.622
  112    H4*    A  27           H4*        A  27   1.018  -4.447 -12.602
  113    H3*    A  27           H3*        A  27   1.671  -6.298 -10.335
  114   1H2*    A  27          1H2*        A  27   3.569  -4.932  -9.775
  115   2HO*    A  27          2HO*        A  27   4.506  -3.682 -11.222
  116    H1*    A  27           H1*        A  27   2.223  -2.512  -9.906
  117    H8     A  27           H8         A  27  -0.524  -4.447  -8.599
  118   1H6     A  27           H61        A  27   0.776  -4.921  -3.934
  119   2H6     A  27           H62        A  27   2.279  -4.660  -3.078
  120    H2     A  27           H2         A  27   5.291  -3.272  -6.107
  121   1H5*    G  28          1H5*        G  28   5.239  -5.550 -11.969
  122   2H5*    G  28          2H5*        G  28   6.199  -7.018 -12.232
  123    H4*    G  28           H4*        G  28   7.371  -5.392 -10.847
  124    H3*    G  28           H3*        G  28   6.703  -8.052  -9.633
  125   1H2*    G  28          1H2*        G  28   7.679  -7.357  -7.563
  126   2HO*    G  28          2HO*        G  28   9.534  -6.340  -8.361
  127    H1*    G  28           H1*        G  28   6.642  -4.744  -7.586
  128    H8     G  28           H8         G  28   3.845  -6.819  -8.774
  129    H1     G  28           H1         G  28   4.818  -7.384  -2.446
  130   1H2     G  28           H21        G  28   7.841  -5.807  -3.087
  131   2H2     G  28           H22        G  28   6.771  -6.524  -1.903
  132   1H5*    C  29          1H5*        C  29  11.409  -9.875  -8.097
  133   2H5*    C  29          2H5*        C  29   9.765 -10.443  -7.739
  134    H4*    C  29           H4*        C  29  11.487  -8.508  -6.236
  135    H3*    C  29           H3*        C  29  10.153 -11.100  -5.548
  136   1H2*    C  29          1H2*        C  29   9.742 -10.321  -3.322
  137   2HO*    C  29          2HO*        C  29  11.396  -8.090  -3.995
  138    H1*    C  29           H1*        C  29   8.920  -7.740  -4.042
  139   1H4     C  29           H41        C  29   3.599 -11.407  -5.299
  140   2H4     C  29           H42        C  29   3.604 -11.247  -3.558
  141    H5     C  29           H5         C  29   5.429 -10.648  -6.698
  142    H6     C  29           H6         C  29   7.620  -9.576  -6.706
  143   1H5*    C  30          1H5*        C  30  13.361 -12.591  -1.570
  144   2H5*    C  30          2H5*        C  30  11.913 -13.515  -2.013
  145    H4*    C  30           H4*        C  30  12.212 -11.280  -0.037
  146    H3*    C  30           H3*        C  30  12.295 -13.899   0.530
  147   1H2*    C  30          1H2*        C  30  10.168 -14.472  -0.480
  148   2HO*    C  30          2HO*        C  30   8.688 -14.673   1.265
  149    H1*    C  30           H1*        C  30   9.001 -11.954   0.814
  150   1H4     C  30           H41        C  30   4.912 -13.535  -4.133
  151   2H4     C  30           H42        C  30   4.016 -13.849  -2.664
  152    H5     C  30           H5         C  30   7.252 -12.899  -4.140
  153    H6     C  30           H6         C  30   9.197 -12.439  -2.740
  154   1H5*    U  31          1H5*        U  31  14.178 -15.346   4.433
  155   2H5*    U  31          2H5*        U  31  14.548 -14.838   2.774
  156    H4*    U  31           H4*        U  31  12.218 -16.553   3.621
  157    H3*    U  31           H3*        U  31  14.744 -17.562   3.476
  158   1H2*    U  31          1H2*        U  31  15.133 -16.969   1.162
  159   2HO*    U  31          2HO*        U  31  14.986 -18.863   0.045
  160    H1*    U  31           H1*        U  31  12.223 -17.793   0.643
  161    H3     U  31           H3         U  31  12.025 -16.625  -3.648
  162    H5     U  31           H5         U  31  15.221 -14.289  -2.230
  163    H6     U  31           H6         U  31  14.841 -15.227  -0.043
  164   1H5*    G  32          1H5*        G  32  13.609 -22.508   5.080
  165   2H5*    G  32          2H5*        G  32  14.700 -21.135   4.812
  166    H4*    G  32           H4*        G  32  14.304 -21.113   2.509
  167    H3*    G  32           H3*        G  32  11.728 -21.698   2.731
  168   1H2*    G  32          1H2*        G  32  12.019 -23.945   3.617
  169   2HO*    G  32          2HO*        G  32  11.791 -25.356   1.669
  170    H1*    G  32           H1*        G  32  14.102 -24.455   1.435
  171    H8     G  32           H8         G  32  15.092 -24.605   5.021
  172    H1     G  32           H1         G  32  13.425 -30.325   2.596
  173   1H2     G  32           H21        G  32  12.226 -28.483  -0.091
  174   2H2     G  32           H22        G  32  12.464 -30.059   0.632
  175   1H5*    G  33          1H5*        G  33   9.207 -21.198   1.341
  176   2H5*    G  33          2H5*        G  33   9.902 -22.819   1.146
  177    H4*    G  33           H4*        G  33   7.970 -21.536  -0.775
  178    H3*    G  33           H3*        G  33   7.085 -22.304   1.645
  179   1H2*    G  33          1H2*        G  33   7.927 -24.564   1.589
  180   2HO*    G  33          2HO*        G  33   6.120 -25.890   0.747
  181    H1*    G  33           H1*        G  33   7.047 -24.765  -1.336
  182    H8     G  33           H8         G  33  10.651 -25.069  -0.525
  183    H1     G  33           H1         G  33   7.627 -30.744  -0.657
  184   1H2     G  33           H21        G  33   4.723 -28.843  -0.692
  185   2H2     G  33           H22        G  33   5.446 -30.435  -0.695
  186   1H5*    G  34          1H5*        G  34   5.522 -21.453   2.684
  187   2H5*    G  34          2H5*        G  34   3.811 -21.794   3.003
  188    H4*    G  34           H4*        G  34   4.494 -19.982   4.379
  189    H3*    G  34           H3*        G  34   2.234 -19.740   2.934
  190   1H2*    G  34          1H2*        G  34   3.214 -18.559   1.059
  191   2HO*    G  34          2HO*        G  34   2.874 -16.331   2.760
  192    H1*    G  34           H1*        G  34   4.822 -16.912   3.083
  193    H8     G  34           H8         G  34   3.894 -16.651  -0.226
  194    H1     G  34           H1         G  34  10.318 -16.775   0.019
  195   1H2     G  34           H21        G  34   9.857 -18.017   3.227
  196   2H2     G  34           H22        G  34  10.983 -17.532   1.981
  197   1H5*    A  35          1H5*        A  35   2.075 -15.697   4.391
  198   2H5*    A  35          2H5*        A  35   0.727 -15.518   5.530
  199    H4*    A  35           H4*        A  35   0.829 -13.763   3.802
  200    H3*    A  35           H3*        A  35  -1.459 -14.734   4.800
  201   1H2*    A  35          1H2*        A  35  -1.778 -16.483   3.151
  202   2HO*    A  35          2HO*        A  35  -2.978 -14.095   2.170
  203    H1*    A  35           H1*        A  35  -0.955 -14.470   0.993
  204    H8     A  35           H8         A  35   0.204 -18.016   2.026
  205   1H6     A  35           H61        A  35  -0.599 -20.177  -2.256
  206   2H6     A  35           H62        A  35  -1.284 -19.626  -3.767
  207    H2     A  35           H2         A  35  -2.413 -15.315  -3.191
  208   1H5*    G  36          1H5*        G  36   0.664 -13.299   6.166
  209   2H5*    G  36          2H5*        G  36   0.470 -11.699   6.906
  210    H4*    G  36           H4*        G  36   2.799 -12.281   6.784
  211    H3*    G  36           H3*        G  36   1.943  -9.993   5.036
  212   1H2*    G  36          1H2*        G  36   4.202  -9.774   4.266
  213   2HO*    G  36          2HO*        G  36   5.358 -10.044   6.152
  214    H1*    G  36           H1*        G  36   4.678 -12.530   3.972
  215    H8     G  36           H8         G  36   1.247 -12.134   2.722
  216    H1     G  36           H1         G  36   5.618  -9.822  -1.383
  217   1H2     G  36           H21        G  36   7.827 -10.137   1.274
  218   2H2     G  36           H22        G  36   7.582  -9.683  -0.398
  219   1H5*    C  37          1H5*        C  37   4.879  -5.953   6.363
  220   2H5*    C  37          2H5*        C  37   3.940  -6.410   4.927
  221    H4*    C  37           H4*        C  37   6.838  -6.982   5.514
  222    H3*    C  37           H3*        C  37   5.490  -5.147   3.562
  223   1H2*    C  37          1H2*        C  37   7.178  -5.671   1.927
  224   2HO*    C  37          2HO*        C  37   8.767  -5.953   3.892
  225    H1*    C  37           H1*        C  37   7.066  -8.413   2.287
  226   1H4     C  37           H41        C  37   1.421  -7.238  -0.886
  227   2H4     C  37           H42        C  37   2.636  -6.921  -2.102
  228    H5     C  37           H5         C  37   1.960  -7.654   1.441
  229    H6     C  37           H6         C  37   3.771  -7.847   3.063
  230   1H5*    U  38          1H5*        U  38   9.278  -4.406   2.714
  231   2H5*    U  38          2H5*        U  38   9.614  -2.678   2.921
  232    H4*    U  38           H4*        U  38  10.291  -3.430   0.729
  233    H3*    U  38           H3*        U  38   8.003  -1.478   0.792
  234   1H2*    U  38          1H2*        U  38   7.970  -1.527  -1.603
  235   2HO*    U  38          2HO*        U  38  10.113  -1.472  -2.144
  236    H1*    U  38           H1*        U  38   8.364  -4.318  -1.822
  237    H3     U  38           H3         U  38   4.163  -3.251  -3.339
  238    H5     U  38           H5         U  38   3.791  -3.803   0.812
  239    H6     U  38           H6         U  38   6.195  -3.873   0.945
  240   1H5*    C  39          1H5*        C  39   9.400   2.535  -2.122
  241   2H5*    C  39          2H5*        C  39   7.912   1.690  -1.650
  242    H4*    C  39           H4*        C  39   9.642   1.153  -4.060
  243    H3*    C  39           H3*        C  39   6.982   2.509  -3.772
  244   1H2*    C  39          1H2*        C  39   6.239   1.462  -5.803
  245   2HO*    C  39          2HO*        C  39   8.242   1.639  -6.950
  246    H1*    C  39           H1*        C  39   7.131  -1.079  -5.155
  247   1H4     C  39           H41        C  39   1.888  -0.352  -1.228
  248   2H4     C  39           H42        C  39   1.202  -0.650  -2.808
  249    H5     C  39           H5         C  39   4.257   0.014  -0.869
  250    H6     C  39           H6         C  39   6.443   0.131  -1.947
  251   1H5*    U  40          1H5*        U  40   5.980   5.680  -7.716
  252   2H5*    U  40          2H5*        U  40   5.306   5.294  -6.120
  253    H4*    U  40           H4*        U  40   5.109   3.746  -8.684
  254    H3*    U  40           H3*        U  40   3.086   5.056  -6.899
  255   1H2*    U  40          1H2*        U  40   1.534   3.282  -7.385
  256   2HO*    U  40          2HO*        U  40   2.097   1.644  -8.916
  257    H1*    U  40           H1*        U  40   3.341   1.222  -6.976
  258    H3     U  40           H3         U  40   0.373   1.892  -3.423
  259    H5     U  40           H5         U  40   4.071   3.599  -2.387
  260    H6     U  40           H6         U  40   4.763   3.312  -4.676
  261   1H5*    C  41          1H5*        C  41   0.773   4.064  -9.874
  262   2H5*    C  41          2H5*        C  41  -0.212   5.413 -10.471
  263    H4*    C  41           H4*        C  41  -1.631   3.600  -9.795
  264    H3*    C  41           H3*        C  41  -1.798   6.052  -8.059
  265   1H2*    C  41          1H2*        C  41  -3.483   4.939  -6.755
  266   2HO*    C  41          2HO*        C  41  -3.382   2.782  -8.616
  267    H1*    C  41           H1*        C  41  -2.142   2.478  -6.643
  268   1H4     C  41           H41        C  41   0.935   6.084  -2.078
  269   2H4     C  41           H42        C  41  -0.563   5.606  -1.310
  270    H5     C  41           H5         C  41   1.395   5.695  -4.427
  271    H6     C  41           H6         C  41   0.524   4.744  -6.496
  272   1H5*    U  42          1H5*        U  42  -5.714   4.689  -9.026
  273   2H5*    U  42          2H5*        U  42  -6.673   6.063  -9.609
  274    H4*    U  42           H4*        U  42  -7.865   4.758  -7.936
  275    H3*    U  42           H3*        U  42  -7.205   7.604  -7.215
  276   1H2*    U  42          1H2*        U  42  -8.367   7.274  -5.143
  277   2HO*    U  42          2HO*        U  42  -9.484   5.136  -6.555
  278    H1*    U  42           H1*        U  42  -7.312   4.704  -4.658
  279    H3     U  42           H3         U  42  -5.693   7.721  -1.574
  280    H5     U  42           H5         U  42  -2.989   7.729  -4.792
  281    H6     U  42           H6         U  42  -4.598   6.458  -6.052
  282   1H5*    G  43          1H5*        G  43 -11.274   6.850  -6.289
  283   2H5*    G  43          2H5*        G  43 -12.260   8.243  -6.776
  284    H4*    G  43           H4*        G  43 -12.671   7.689  -4.470
  285    H3*    G  43           H3*        G  43 -11.279  10.316  -4.925
  286   1H2*    G  43          1H2*        G  43 -11.307  10.674  -2.558
  287   2HO*    G  43          2HO*        G  43 -13.023   8.396  -2.414
  288    H1*    G  43           H1*        G  43 -10.660   8.007  -1.869
  289    H8     G  43           H8         G  43  -8.619   9.281  -4.780
  290    H1     G  43           H1         G  43  -6.264  10.845   0.996
  291   1H2     G  43           H21        G  43  -9.311   9.698   2.199
  292   2H2     G  43           H22        G  43  -7.746  10.388   2.562
  293   1H5*    G  44          1H5*        G  44 -14.658  13.743  -2.491
  294   2H5*    G  44          2H5*        G  44 -12.929  13.665  -2.883
  295    H4*    G  44           H4*        G  44 -14.345  12.681  -0.422
  296    H3*    G  44           H3*        G  44 -12.335  14.853  -0.901
  297   1H2*    G  44          1H2*        G  44 -11.303  14.350   1.215
  298   2HO*    G  44          2HO*        G  44 -13.339  12.400   1.641
  299    H1*    G  44           H1*        G  44 -11.198  11.615   0.825
  300    H8     G  44           H8         G  44 -10.739  12.622  -2.625
  301    H1     G  44           H1         G  44  -5.611  14.127   0.946
  302   1H2     G  44           H21        G  44  -7.725  13.590   3.645
  303   2H2     G  44           H22        G  44  -6.127  14.031   3.085
  304   1H5*    C  45          1H5*        C  45 -13.372  15.399   2.826
  305   2H5*    C  45          2H5*        C  45 -13.896  17.041   3.248
  306    H4*    C  45           H4*        C  45 -12.153  16.423   4.730
  307    H3*    C  45           H3*        C  45 -11.283  18.462   2.697
  308   1H2*    C  45          1H2*        C  45  -9.126  18.490   3.745
  309   2HO*    C  45          2HO*        C  45 -10.183  16.748   5.741
  310    H1*    C  45           H1*        C  45  -8.938  15.700   4.013
  311   1H4     C  45           H41        C  45  -7.424  16.850  -2.306
  312   2H4     C  45           H42        C  45  -5.925  17.069  -1.431
  313    H5     C  45           H5         C  45  -9.550  16.486  -1.202
  314    H6     C  45           H6         C  45 -10.665  16.275   0.955
  315   1H5*    C  46          1H5*        C  46 -12.216  20.569   6.503
  316   2H5*    C  46          2H5*        C  46 -12.610  22.296   6.420
  317    H4*    C  46           H4*        C  46 -10.331  22.031   7.080
  318    H3*    C  46           H3*        C  46 -10.667  23.165   4.318
  319   1H2*    C  46          1H2*        C  46  -8.286  23.320   4.160
  320   2HO*    C  46          2HO*        C  46  -6.956  23.098   5.977
  321    H1*    C  46           H1*        C  46  -7.762  20.848   5.462
  322   1H4     C  46           H41        C  46  -8.909  19.593  -0.940
  323   2H4     C  46           H42        C  46  -7.191  19.384  -0.687
  324    H5     C  46           H5         C  46 -10.416  20.336   0.805
  325    H6     C  46           H6         C  46 -10.571  21.069   3.130
  326    H3T    C  46           H3T        C  46  -9.812  24.249   6.770
  327   1H    ARG  47          3H        ARG  47  -0.365  -7.218   1.530
  328   2H    ARG  47          2H        ARG  47  -0.430  -5.841   2.523
  329   3H    ARG  47          1H        ARG  47  -1.832  -6.760   2.249
  330    HA   ARG  47           HA       ARG  47  -1.878  -6.140  -0.055
  331   1HB   ARG  47          2HB       ARG  47  -2.376  -4.446   2.097
  332   2HB   ARG  47          1HB       ARG  47  -1.394  -3.457   1.017
  333   1HG   ARG  47          2HG       ARG  47  -3.179  -4.768  -0.690
  334   2HG   ARG  47          1HG       ARG  47  -4.158  -4.334   0.712
  335   1HD   ARG  47          2HD       ARG  47  -4.197  -2.497  -0.887
  336   2HD   ARG  47          1HD       ARG  47  -3.295  -1.999   0.542
  337    HE   ARG  47           HE       ARG  47  -1.324  -1.924  -0.774
  338   1HH1  ARG  47          1HH2      ARG  47  -3.920  -1.946  -2.805
  339   2HH1  ARG  47          2HH2      ARG  47  -3.121  -2.674  -4.157
  340   1HH2  ARG  47          1HH1      ARG  47  -0.276  -3.529  -2.359
  341   2HH2  ARG  47          2HH1      ARG  47  -1.055  -3.568  -3.905
   
  No H/Q in entry =         341
  Start of MODEL    6
    1   1H5*    G  16          1H5*        G  16  -1.384  25.317  -4.613
    2   2H5*    G  16          2H5*        G  16  -1.283  27.084  -4.533
    3    H4*    G  16           H4*        G  16  -0.170  26.891  -2.344
    4    H3*    G  16           H3*        G  16  -0.509  23.940  -2.751
    5   1H2*    G  16          1H2*        G  16  -1.118  23.690  -0.444
    6   2HO*    G  16          2HO*        G  16   0.004  24.981   0.831
    7    H1*    G  16           H1*        G  16  -2.857  25.863  -0.356
    8    H8     G  16           H8         G  16  -3.234  24.393  -3.756
    9    H1     G  16           H1         G  16  -6.342  21.089   0.801
   10   1H2     G  16           H21        G  16  -4.533  23.051   3.018
   11   2H2     G  16           H22        G  16  -5.713  21.780   2.796
   12    H5T    G  16           H5T        G  16   0.892  25.252  -4.493
   13   1H5*    G  17          1H5*        G  17   2.317  21.315   0.376
   14   2H5*    G  17          2H5*        G  17   0.783  21.134  -0.498
   15    H4*    G  17           H4*        G  17   1.153  22.125   2.322
   16    H3*    G  17           H3*        G  17   0.261  19.482   1.234
   17   1H2*    G  17          1H2*        G  17  -1.414  19.303   2.945
   18   2HO*    G  17          2HO*        G  17  -0.677  20.178   4.787
   19    H1*    G  17           H1*        G  17  -2.433  21.828   2.537
   20    H8     G  17           H8         G  17  -1.461  21.289  -0.881
   21    H1     G  17           H1         G  17  -6.201  17.282   0.800
   22   1H2     G  17           H21        G  17  -5.391  18.192   4.047
   23   2H2     G  17           H22        G  17  -6.408  17.239   2.990
   24   1H5*    C  18          1H5*        C  18   1.941  17.644   5.824
   25   2H5*    C  18          2H5*        C  18   1.089  17.638   4.266
   26    H4*    C  18           H4*        C  18  -0.179  17.839   6.997
   27    H3*    C  18           H3*        C  18   0.178  15.482   5.173
   28   1H2*    C  18          1H2*        C  18  -2.029  14.743   5.712
   29   2HO*    C  18          2HO*        C  18  -1.996  15.101   7.944
   30    H1*    C  18           H1*        C  18  -3.229  17.295   5.671
   31   1H4     C  18           H41        C  18  -3.062  15.510  -0.666
   32   2H4     C  18           H42        C  18  -4.522  14.785  -0.030
   33    H5     C  18           H5         C  18  -1.431  16.632   0.732
   34    H6     C  18           H6         C  18  -0.868  17.273   3.018
   35   1H5*    C  19          1H5*        C  19  -0.579  11.215   7.737
   36   2H5*    C  19          2H5*        C  19  -0.722  11.785   6.063
   37    H4*    C  19           H4*        C  19  -2.857  11.647   8.171
   38    H3*    C  19           H3*        C  19  -2.377  10.133   5.637
   39   1H2*    C  19          1H2*        C  19  -4.722  10.098   5.149
   40   2HO*    C  19          2HO*        C  19  -5.847   9.895   6.987
   41    H1*    C  19           H1*        C  19  -5.112  12.791   5.607
   42   1H4     C  19           H41        C  19  -1.638  12.791   0.004
   43   2H4     C  19           H42        C  19  -3.227  12.251  -0.487
   44    H5     C  19           H5         C  19  -1.011  13.100   2.325
   45    H6     C  19           H6         C  19  -1.776  12.946   4.634
   46   1H5*    A  20          1H5*        A  20  -5.171   6.319   8.233
   47   2H5*    A  20          2H5*        A  20  -4.169   7.079   6.981
   48    H4*    A  20           H4*        A  20  -7.183   7.047   7.108
   49    H3*    A  20           H3*        A  20  -5.261   5.413   5.479
   50   1H2*    A  20          1H2*        A  20  -6.749   5.584   3.602
   51   2HO*    A  20          2HO*        A  20  -8.591   6.964   5.280
   52    H1*    A  20           H1*        A  20  -7.228   8.311   3.869
   53    H8     A  20           H8         A  20  -3.708   8.198   4.819
   54   1H6     A  20           H61        A  20  -1.622   7.893   0.432
   55   2H6     A  20           H62        A  20  -2.239   7.534  -1.165
   56    H2     A  20           H2         A  20  -6.645   6.784  -0.724
   57   1H5*    G  21          1H5*        G  21  -9.000   3.740   4.718
   58   2H5*    G  21          2H5*        G  21  -8.881   1.979   4.535
   59    H4*    G  21           H4*        G  21  -9.762   3.130   2.541
   60    H3*    G  21           H3*        G  21  -7.226   1.533   2.254
   61   1H2*    G  21          1H2*        G  21  -7.286   2.047  -0.102
   62   2HO*    G  21          2HO*        G  21  -9.845   3.181   0.463
   63    H1*    G  21           H1*        G  21  -7.808   4.759   0.274
   64    H8     G  21           H8         G  21  -5.553   3.961   3.068
   65    H1     G  21           H1         G  21  -2.492   4.115  -2.582
   66   1H2     G  21           H21        G  21  -5.678   3.988  -3.949
   67   2H2     G  21           H22        G  21  -3.951   4.047  -4.228
   68   1H5*    A  22          1H5*        A  22  -9.794   0.620  -0.947
   69   2H5*    A  22          2H5*        A  22  -9.648  -1.087  -1.400
   70    H4*    A  22           H4*        A  22  -9.159   0.580  -3.212
   71    H3*    A  22           H3*        A  22  -7.204  -1.585  -2.506
   72   1H2*    A  22          1H2*        A  22  -5.666  -0.728  -4.111
   73   2HO*    A  22          2HO*        A  22  -6.549   1.151  -5.450
   74    H1*    A  22           H1*        A  22  -6.198   2.015  -3.637
   75    H8     A  22           H8         A  22  -5.814   0.465  -0.294
   76   1H6     A  22           H61        A  22  -0.962   0.642   0.086
   77   2H6     A  22           H62        A  22   0.318   0.949  -1.069
   78    H2     A  22           H2         A  22  -1.643   1.615  -5.049
   79   1H5*    U  23          1H5*        U  23  -8.825  -5.480  -5.572
   80   2H5*    U  23          2H5*        U  23  -7.853  -4.793  -4.256
   81    H4*    U  23           H4*        U  23  -8.259  -2.892  -6.402
   82    H3*    U  23           H3*        U  23  -8.088  -5.262  -7.653
   83   1H2*    U  23          1H2*        U  23  -6.082  -6.035  -6.529
   84   2HO*    U  23          2HO*        U  23  -4.306  -5.501  -8.009
   85    H1*    U  23           H1*        U  23  -4.919  -3.224  -6.897
   86    H3     U  23           H3         U  23  -1.082  -4.476  -4.957
   87    H5     U  23           H5         U  23  -4.005  -6.009  -2.357
   88    H6     U  23           H6         U  23  -5.677  -5.321  -3.952
   89   1H5*    U  25          1H5*        U  25 -10.479  -1.134  -7.774
   90   2H5*    U  25          2H5*        U  25 -10.537  -1.048  -9.546
   91    H4*    U  25           H4*        U  25  -9.302   0.973  -9.577
   92    H3*    U  25           H3*        U  25  -7.973   0.301  -7.293
   93   1H2*    U  25          1H2*        U  25  -9.819   0.772  -5.795
   94   2HO*    U  25          2HO*        U  25  -8.041   2.222  -5.290
   95    H1*    U  25           H1*        U  25 -10.383   3.172  -7.621
   96    H3     U  25           H3         U  25 -13.383   4.626  -4.563
   97    H5     U  25           H5         U  25 -14.622   0.701  -5.429
   98    H6     U  25           H6         U  25 -12.612   0.432  -6.731
   99   1H5*    G  26          1H5*        G  26  -6.237  -1.489  -9.783
  100   2H5*    G  26          2H5*        G  26  -5.694  -0.866  -8.215
  101    H4*    G  26           H4*        G  26  -4.412  -0.173 -10.852
  102    H3*    G  26           H3*        G  26  -3.788  -2.483  -9.044
  103   1H2*    G  26          1H2*        G  26  -1.435  -2.071  -9.354
  104   2HO*    G  26          2HO*        G  26  -2.271  -0.140 -11.287
  105    H1*    G  26           H1*        G  26  -1.571   0.644  -8.897
  106    H8     G  26           H8         G  26  -4.241  -0.669  -6.703
  107    H1     G  26           H1         G  26   1.663  -1.812  -4.432
  108   1H2     G  26           H21        G  26   2.712  -0.808  -7.585
  109   2H2     G  26           H22        G  26   3.159  -1.366  -5.990
  110   1H5*    A  27          1H5*        A  27  -0.550  -5.280 -12.314
  111   2H5*    A  27          2H5*        A  27  -0.676  -5.255 -10.544
  112    H4*    A  27           H4*        A  27   1.102  -3.590 -12.312
  113    H3*    A  27           H3*        A  27   1.656  -5.814 -10.379
  114   1H2*    A  27          1H2*        A  27   3.659  -4.697  -9.659
  115   2HO*    A  27          2HO*        A  27   4.372  -3.920 -11.680
  116    H1*    A  27           H1*        A  27   2.507  -2.189  -9.383
  117    H8     A  27           H8         A  27  -0.337  -4.211  -8.371
  118   1H6     A  27           H61        A  27   0.919  -5.325  -3.809
  119   2H6     A  27           H62        A  27   2.405  -5.162  -2.899
  120    H2     A  27           H2         A  27   5.465  -3.437  -5.695
  121   1H5*    G  28          1H5*        G  28   6.690  -6.940 -12.176
  122   2H5*    G  28          2H5*        G  28   5.793  -7.882 -10.969
  123    H4*    G  28           H4*        G  28   7.581  -5.534 -10.635
  124    H3*    G  28           H3*        G  28   7.227  -8.163  -9.238
  125   1H2*    G  28          1H2*        G  28   7.934  -7.182  -7.183
  126   2HO*    G  28          2HO*        G  28   9.579  -5.868  -8.579
  127    H1*    G  28           H1*        G  28   6.631  -4.693  -7.545
  128    H8     G  28           H8         G  28   3.916  -6.811  -8.475
  129    H1     G  28           H1         G  28   5.230  -7.460  -2.214
  130   1H2     G  28           H21        G  28   8.251  -5.950  -3.004
  131   2H2     G  28           H22        G  28   7.226  -6.648  -1.770
  132   1H5*    C  29          1H5*        C  29  10.452 -11.175  -8.602
  133   2H5*    C  29          2H5*        C  29   8.795 -11.648  -8.183
  134    H4*    C  29           H4*        C  29  10.830 -10.194  -6.619
  135    H3*    C  29           H3*        C  29   8.732 -12.245  -6.016
  136   1H2*    C  29          1H2*        C  29   8.576 -11.426  -3.763
  137   2HO*    C  29          2HO*        C  29  10.839 -11.018  -3.477
  138    H1*    C  29           H1*        C  29   8.447  -8.738  -4.444
  139   1H4     C  29           H41        C  29   2.479 -10.875  -6.224
  140   2H4     C  29           H42        C  29   2.459 -11.082  -4.487
  141    H5     C  29           H5         C  29   4.475 -10.252  -7.456
  142    H6     C  29           H6         C  29   6.844  -9.700  -7.265
  143   1H5*    C  30          1H5*        C  30  11.787 -14.116  -1.777
  144   2H5*    C  30          2H5*        C  30  10.290 -14.962  -2.215
  145    H4*    C  30           H4*        C  30  10.725 -12.696  -0.322
  146    H3*    C  30           H3*        C  30  10.358 -15.270   0.311
  147   1H2*    C  30          1H2*        C  30   8.262 -15.535  -0.905
  148   2HO*    C  30          2HO*        C  30   8.031 -15.977   1.448
  149    H1*    C  30           H1*        C  30   7.414 -12.850   0.313
  150   1H4     C  30           H41        C  30   3.401 -13.710  -4.858
  151   2H4     C  30           H42        C  30   2.388 -13.916  -3.446
  152    H5     C  30           H5         C  30   5.809 -13.456  -4.729
  153    H6     C  30           H6         C  30   7.723 -13.337  -3.220
  154   1H5*    U  31          1H5*        U  31  10.712 -17.048   4.402
  155   2H5*    U  31          2H5*        U  31  11.504 -17.247   2.825
  156    H4*    U  31           H4*        U  31   9.020 -18.517   3.895
  157    H3*    U  31           H3*        U  31  11.463 -19.627   3.721
  158   1H2*    U  31          1H2*        U  31  11.763 -19.361   1.344
  159   2HO*    U  31          2HO*        U  31  10.227 -21.757   1.515
  160    H1*    U  31           H1*        U  31   8.844 -20.181   0.937
  161    H3     U  31           H3         U  31   8.786 -19.338  -3.440
  162    H5     U  31           H5         U  31  11.719 -16.666  -2.047
  163    H6     U  31           H6         U  31  11.336 -17.518   0.174
  164   1H5*    G  32          1H5*        G  32   7.707 -21.903   4.155
  165   2H5*    G  32          2H5*        G  32   7.242 -23.052   5.425
  166    H4*    G  32           H4*        G  32   8.887 -23.719   2.988
  167    H3*    G  32           H3*        G  32   6.257 -23.242   2.716
  168   1H2*    G  32          1H2*        G  32   5.500 -24.767   4.436
  169   2HO*    G  32          2HO*        G  32   4.422 -25.513   2.632
  170    H1*    G  32           H1*        G  32   7.550 -26.796   3.403
  171    H8     G  32           H8         G  32   7.750 -25.550   6.904
  172    H1     G  32           H1         G  32   4.464 -31.052   6.349
  173   1H2     G  32           H21        G  32   4.548 -30.390   2.942
  174   2H2     G  32           H22        G  32   4.032 -31.459   4.226
  175   1H5*    G  33          1H5*        G  33   5.163 -21.840   0.265
  176   2H5*    G  33          2H5*        G  33   4.884 -23.447   0.965
  177    H4*    G  33           H4*        G  33   4.104 -22.433  -1.756
  178    H3*    G  33           H3*        G  33   2.567 -22.210   0.441
  179   1H2*    G  33          1H2*        G  33   2.543 -24.549   1.047
  180   2HO*    G  33          2HO*        G  33   0.513 -25.187   0.623
  181    H1*    G  33           H1*        G  33   2.208 -25.259  -1.912
  182    H8     G  33           H8         G  33   5.121 -26.298   0.263
  183    H1     G  33           H1         G  33   0.712 -30.894  -0.626
  184   1H2     G  33           H21        G  33  -1.184 -28.366  -2.061
  185   2H2     G  33           H22        G  33  -1.066 -30.054  -1.616
  186   1H5*    G  34          1H5*        G  34   2.458 -18.262  -1.267
  187   2H5*    G  34          2H5*        G  34   3.909 -18.507  -0.275
  188    H4*    G  34           H4*        G  34   1.490 -19.578   0.943
  189    H3*    G  34           H3*        G  34   0.789 -17.252  -0.270
  190   1H2*    G  34          1H2*        G  34   2.464 -15.866   0.795
  191   2HO*    G  34          2HO*        G  34   1.412 -14.784   2.492
  192    H1*    G  34           H1*        G  34   1.922 -17.442   3.371
  193    H8     G  34           H8         G  34   5.150 -16.696   1.425
  194    H1     G  34           H1         G  34   4.760 -14.062   7.279
  195   1H2     G  34           H21        G  34   1.518 -15.304   7.276
  196   2H2     G  34           H22        G  34   2.760 -14.420   8.135
  197   1H5*    A  35          1H5*        A  35  -4.082 -16.571   1.714
  198   2H5*    A  35          2H5*        A  35  -3.451 -16.612   0.057
  199    H4*    A  35           H4*        A  35  -1.477 -16.119   2.192
  200    H3*    A  35           H3*        A  35  -3.616 -14.604   2.697
  201   1H2*    A  35          1H2*        A  35  -3.891 -13.745   0.438
  202   2HO*    A  35          2HO*        A  35  -2.758 -11.623   0.478
  203    H1*    A  35           H1*        A  35  -0.862 -13.304   0.356
  204    H8     A  35           H8         A  35  -2.985 -15.404  -2.020
  205   1H6     A  35           H61        A  35  -2.550 -12.577  -5.960
  206   2H6     A  35           H62        A  35  -1.858 -10.993  -6.228
  207    H2     A  35           H2         A  35  -0.267  -9.578  -2.273
  208   1H5*    G  36          1H5*        G  36  -0.255 -11.980   5.842
  209   2H5*    G  36          2H5*        G  36  -0.277 -12.080   4.070
  210    H4*    G  36           H4*        G  36   1.999 -12.701   5.938
  211    H3*    G  36           H3*        G  36   1.542 -10.523   3.926
  212   1H2*    G  36          1H2*        G  36   3.901 -10.534   3.419
  213   2HO*    G  36          2HO*        G  36   5.312 -11.999   4.494
  214    H1*    G  36           H1*        G  36   3.998 -13.264   3.046
  215    H8     G  36           H8         G  36   0.638 -12.950   1.880
  216    H1     G  36           H1         G  36   4.678  -9.865  -2.057
  217   1H2     G  36           H21        G  36   6.935 -10.135   0.567
  218   2H2     G  36           H22        G  36   6.626  -9.577  -1.061
  219   1H5*    C  37          1H5*        C  37   4.603  -7.659   6.613
  220   2H5*    C  37          2H5*        C  37   3.725  -8.310   5.216
  221    H4*    C  37           H4*        C  37   6.700  -8.601   5.534
  222    H3*    C  37           H3*        C  37   5.233  -6.197   4.516
  223   1H2*    C  37          1H2*        C  37   6.721  -6.030   2.666
  224   2HO*    C  37          2HO*        C  37   8.683  -6.349   3.698
  225    H1*    C  37           H1*        C  37   6.944  -8.799   2.162
  226   1H4     C  37           H41        C  37   1.422  -7.131  -0.991
  227   2H4     C  37           H42        C  37   2.701  -6.594  -2.057
  228    H5     C  37           H5         C  37   1.837  -7.990   1.236
  229    H6     C  37           H6         C  37   3.553  -8.473   2.900
  230   1H5*    U  38          1H5*        U  38   7.549  -2.268   3.837
  231   2H5*    U  38          2H5*        U  38   6.317  -3.351   3.159
  232    H4*    U  38           H4*        U  38   9.189  -3.360   2.262
  233    H3*    U  38           H3*        U  38   7.005  -1.536   1.328
  234   1H2*    U  38          1H2*        U  38   7.696  -1.873  -0.949
  235   2HO*    U  38          2HO*        U  38   9.911  -3.297   0.159
  236    H1*    U  38           H1*        U  38   7.923  -4.635  -0.772
  237    H3     U  38           H3         U  38   4.062  -3.424  -3.020
  238    H5     U  38           H5         U  38   3.009  -3.932   1.021
  239    H6     U  38           H6         U  38   5.357  -4.069   1.539
  240   1H5*    C  39          1H5*        C  39   9.301   2.325  -1.323
  241   2H5*    C  39          2H5*        C  39   7.632   1.770  -1.086
  242    H4*    C  39           H4*        C  39   9.632   0.901  -3.150
  243    H3*    C  39           H3*        C  39   6.997   2.323  -3.299
  244   1H2*    C  39          1H2*        C  39   6.490   1.163  -5.339
  245   2HO*    C  39          2HO*        C  39   9.105   0.029  -5.212
  246    H1*    C  39           H1*        C  39   7.250  -1.352  -4.437
  247   1H4     C  39           H41        C  39   1.538  -0.427  -1.301
  248   2H4     C  39           H42        C  39   1.056  -0.670  -2.965
  249    H5     C  39           H5         C  39   3.851  -0.201  -0.620
  250    H6     C  39           H6         C  39   6.165  -0.140  -1.395
  251   1H5*    U  40          1H5*        U  40   6.568   5.419  -7.352
  252   2H5*    U  40          2H5*        U  40   5.715   5.103  -5.827
  253    H4*    U  40           H4*        U  40   5.701   3.515  -8.373
  254    H3*    U  40           H3*        U  40   3.578   4.951  -6.816
  255   1H2*    U  40          1H2*        U  40   1.997   3.244  -7.424
  256   2HO*    U  40          2HO*        U  40   2.461   1.688  -8.962
  257    H1*    U  40           H1*        U  40   3.663   1.100  -6.843
  258    H3     U  40           H3         U  40   0.390   1.896  -3.595
  259    H5     U  40           H5         U  40   4.050   3.392  -2.178
  260    H6     U  40           H6         U  40   4.947   3.095  -4.393
  261   1H5*    C  41          1H5*        C  41   1.728   4.246 -10.237
  262   2H5*    C  41          2H5*        C  41   0.994   5.662 -11.015
  263    H4*    C  41           H4*        C  41  -0.692   4.018 -10.733
  264    H3*    C  41           H3*        C  41  -0.985   6.374  -8.894
  265   1H2*    C  41          1H2*        C  41  -2.929   5.363  -7.933
  266   2HO*    C  41          2HO*        C  41  -2.748   3.379  -9.977
  267    H1*    C  41           H1*        C  41  -1.885   2.758  -7.810
  268   1H4     C  41           H41        C  41   0.725   5.629  -2.505
  269   2H4     C  41           H42        C  41  -0.896   5.185  -2.015
  270    H5     C  41           H5         C  41   1.499   5.466  -4.797
  271    H6     C  41           H6         C  41   0.887   4.807  -7.064
  272   1H5*    U  42          1H5*        U  42  -6.006   7.881 -10.177
  273   2H5*    U  42          2H5*        U  42  -5.013   8.231  -8.749
  274    H4*    U  42           H4*        U  42  -6.976   6.007  -9.196
  275    H3*    U  42           H3*        U  42  -6.818   8.275  -7.240
  276   1H2*    U  42          1H2*        U  42  -7.807   6.862  -5.554
  277   2HO*    U  42          2HO*        U  42  -9.046   5.705  -7.422
  278    H1*    U  42           H1*        U  42  -6.101   4.737  -5.970
  279    H3     U  42           H3         U  42  -4.944   7.496  -2.351
  280    H5     U  42           H5         U  42  -2.340   8.322  -5.545
  281    H6     U  42           H6         U  42  -3.806   7.057  -6.974
  282   1H5*    G  43          1H5*        G  43 -10.486   6.844  -6.502
  283   2H5*    G  43          2H5*        G  43 -11.694   8.140  -6.403
  284    H4*    G  43           H4*        G  43 -11.621   6.822  -4.365
  285    H3*    G  43           H3*        G  43 -10.812   9.710  -4.122
  286   1H2*    G  43          1H2*        G  43 -10.535   9.356  -1.756
  287   2HO*    G  43          2HO*        G  43 -11.635   7.843  -0.756
  288    H1*    G  43           H1*        G  43  -9.136   6.952  -2.027
  289    H8     G  43           H8         G  43  -7.776   8.803  -4.847
  290    H1     G  43           H1         G  43  -5.726  11.186   0.762
  291   1H2     G  43           H21        G  43  -8.293   9.303   2.142
  292   2H2     G  43           H22        G  43  -6.963  10.407   2.410
  293   1H5*    G  44          1H5*        G  44 -13.391   9.032  -0.949
  294   2H5*    G  44          2H5*        G  44 -14.526  10.387  -0.794
  295    H4*    G  44           H4*        G  44 -13.302   9.967   1.271
  296    H3*    G  44           H3*        G  44 -12.841  12.625  -0.062
  297   1H2*    G  44          1H2*        G  44 -11.410  13.212   1.772
  298   2HO*    G  44          2HO*        G  44 -12.435  10.855   3.011
  299    H1*    G  44           H1*        G  44 -10.138  10.696   1.921
  300    H8     G  44           H8         G  44 -10.358  11.374  -1.684
  301    H1     G  44           H1         G  44  -5.868  14.947   1.215
  302   1H2     G  44           H21        G  44  -7.412  13.944   4.154
  303   2H2     G  44           H22        G  44  -6.137  14.871   3.398
  304   1H5*    C  45          1H5*        C  45 -13.663  13.337   4.032
  305   2H5*    C  45          2H5*        C  45 -14.848  14.649   4.169
  306    H4*    C  45           H4*        C  45 -12.971  15.110   5.584
  307    H3*    C  45           H3*        C  45 -13.206  16.935   3.203
  308   1H2*    C  45          1H2*        C  45 -11.270  18.103   3.975
  309   2HO*    C  45          2HO*        C  45 -10.487  17.878   6.059
  310    H1*    C  45           H1*        C  45  -9.874  15.780   4.840
  311   1H4     C  45           H41        C  45  -8.537  16.476  -1.593
  312   2H4     C  45           H42        C  45  -7.225  17.262  -0.743
  313    H5     C  45           H5         C  45 -10.479  15.569  -0.467
  314    H6     C  45           H6         C  45 -11.576  15.273   1.694
  315   1H5*    C  46          1H5*        C  46 -13.443  21.688   5.969
  316   2H5*    C  46          2H5*        C  46 -12.892  21.223   4.348
  317    H4*    C  46           H4*        C  46 -11.335  21.431   6.900
  318    H3*    C  46           H3*        C  46 -11.120  22.753   4.219
  319   1H2*    C  46          1H2*        C  46  -8.732  22.772   4.416
  320   2HO*    C  46          2HO*        C  46  -7.703  22.215   6.365
  321    H1*    C  46           H1*        C  46  -8.487  20.159   5.373
  322   1H4     C  46           H41        C  46  -9.602  19.500  -1.109
  323   2H4     C  46           H42        C  46  -7.863  19.520  -0.919
  324    H5     C  46           H5         C  46 -11.132  19.893   0.731
  325    H6     C  46           H6         C  46 -11.299  20.379   3.116
  326    H3T    C  46           H3T        C  46 -11.938  23.882   5.935
  327   1H    ARG  47          2H        ARG  47   0.356  -3.630   3.263
  328   2H    ARG  47          1H        ARG  47  -1.242  -3.159   3.599
  329   3H    ARG  47          3H        ARG  47  -0.613  -4.575   4.289
  330    HA   ARG  47           HA       ARG  47  -2.062  -5.173   2.489
  331   1HB   ARG  47          2HB       ARG  47  -0.579  -2.964   1.196
  332   2HB   ARG  47          1HB       ARG  47  -0.858  -4.368   0.167
  333   1HG   ARG  47          2HG       ARG  47  -3.279  -4.287   0.772
  334   2HG   ARG  47          1HG       ARG  47  -2.970  -2.813   1.692
  335   1HD   ARG  47          2HD       ARG  47  -2.234  -1.656  -0.311
  336   2HD   ARG  47          1HD       ARG  47  -2.357  -3.141  -1.257
  337    HE   ARG  47           HE       ARG  47  -4.753  -1.851  -0.010
  338   1HH1  ARG  47          1HH1      ARG  47  -6.221  -3.707  -0.979
  339   2HH1  ARG  47          2HH1      ARG  47  -6.239  -3.658  -2.710
  340   1HH2  ARG  47          1HH2      ARG  47  -3.395  -1.673  -2.943
  341   2HH2  ARG  47          2HH2      ARG  47  -4.628  -2.508  -3.826
   
  No H/Q in entry =         341
  Start of MODEL    7
    1   1H5*    G  16          1H5*        G  16   1.911  25.441  -4.416
    2   2H5*    G  16          2H5*        G  16   0.459  24.427  -4.416
    3    H4*    G  16           H4*        G  16   1.367  26.403  -2.344
    4    H3*    G  16           H3*        G  16   1.056  23.420  -2.343
    5   1H2*    G  16          1H2*        G  16   0.284  23.499  -0.075
    6   2HO*    G  16          2HO*        G  16   1.680  25.022   0.799
    7    H1*    G  16           H1*        G  16  -1.417  25.686  -0.405
    8    H8     G  16           H8         G  16  -1.585  23.619  -3.522
    9    H1     G  16           H1         G  16  -5.185  21.357   1.301
   10   1H2     G  16           H21        G  16  -3.460  23.658   3.247
   11   2H2     G  16           H22        G  16  -4.677  22.402   3.174
   12    H5T    G  16           H5T        G  16  -0.738  26.467  -4.442
   13   1H5*    G  17          1H5*        G  17   3.671  21.596   1.634
   14   2H5*    G  17          2H5*        G  17   2.322  21.071   0.607
   15    H4*    G  17           H4*        G  17   2.124  22.735   3.116
   16    H3*    G  17           H3*        G  17   1.722  19.800   2.678
   17   1H2*    G  17          1H2*        G  17  -0.225  19.829   4.053
   18   2HO*    G  17          2HO*        G  17  -0.624  21.417   5.521
   19    H1*    G  17           H1*        G  17  -1.229  22.316   3.166
   20    H8     G  17           H8         G  17  -0.289  20.813   0.012
   21    H1     G  17           H1         G  17  -5.482  17.980   2.535
   22   1H2     G  17           H21        G  17  -4.546  19.585   5.467
   23   2H2     G  17           H22        G  17  -5.679  18.523   4.661
   24   1H5*    C  18          1H5*        C  18   1.666  16.706   5.188
   25   2H5*    C  18          2H5*        C  18   0.724  17.722   4.080
   26    H4*    C  18           H4*        C  18  -0.093  17.695   6.927
   27    H3*    C  18           H3*        C  18  -0.277  15.228   5.237
   28   1H2*    C  18          1H2*        C  18  -2.535  14.882   5.993
   29   2HO*    C  18          2HO*        C  18  -3.327  15.828   7.766
   30    H1*    C  18           H1*        C  18  -3.363  17.492   5.582
   31   1H4     C  18           H41        C  18  -2.808  15.092  -0.542
   32   2H4     C  18           H42        C  18  -4.292  14.389   0.060
   33    H5     C  18           H5         C  18  -1.304  16.387   0.850
   34    H6     C  18           H6         C  18  -0.928  17.273   3.093
   35   1H5*    C  19          1H5*        C  19  -0.951  11.078   7.764
   36   2H5*    C  19          2H5*        C  19  -1.079  11.503   6.046
   37    H4*    C  19           H4*        C  19  -3.236  11.416   8.130
   38    H3*    C  19           H3*        C  19  -2.702   9.866   5.626
   39   1H2*    C  19          1H2*        C  19  -5.050   9.765   5.134
   40   2HO*    C  19          2HO*        C  19  -5.813  11.370   7.284
   41    H1*    C  19           H1*        C  19  -5.477  12.460   5.471
   42   1H4     C  19           H41        C  19  -1.813  12.395   0.000
   43   2H4     C  19           H42        C  19  -3.303  11.634  -0.512
   44    H5     C  19           H5         C  19  -1.340  12.941   2.314
   45    H6     C  19           H6         C  19  -2.198  12.863   4.597
   46   1H5*    A  20          1H5*        A  20  -5.427   6.077   8.058
   47   2H5*    A  20          2H5*        A  20  -4.543   6.926   6.775
   48    H4*    A  20           H4*        A  20  -7.544   6.831   7.076
   49    H3*    A  20           H3*        A  20  -5.724   5.114   5.419
   50   1H2*    A  20          1H2*        A  20  -7.280   5.236   3.600
   51   2HO*    A  20          2HO*        A  20  -9.068   6.617   5.340
   52    H1*    A  20           H1*        A  20  -7.807   7.974   3.839
   53    H8     A  20           H8         A  20  -4.228   7.969   4.492
   54   1H6     A  20           H61        A  20  -2.503   7.611  -0.044
   55   2H6     A  20           H62        A  20  -3.236   7.189  -1.575
   56    H2     A  20           H2         A  20  -7.561   6.297  -0.749
   57   1H5*    G  21          1H5*        G  21  -9.429   3.432   4.857
   58   2H5*    G  21          2H5*        G  21  -9.355   1.660   4.898
   59    H4*    G  21           H4*        G  21 -10.258   2.484   2.794
   60    H3*    G  21           H3*        G  21  -7.656   0.982   2.671
   61   1H2*    G  21          1H2*        G  21  -7.655   1.264   0.290
   62   2HO*    G  21          2HO*        G  21  -9.522   1.249  -0.699
   63    H1*    G  21           H1*        G  21  -8.494   3.948   0.323
   64    H8     G  21           H8         G  21  -6.059   3.514   3.107
   65    H1     G  21           H1         G  21  -3.284   4.000  -2.670
   66   1H2     G  21           H21        G  21  -6.497   3.530  -3.895
   67   2H2     G  21           H22        G  21  -4.803   3.785  -4.252
   68   1H5*    A  22          1H5*        A  22  -8.434  -2.792  -0.780
   69   2H5*    A  22          2H5*        A  22  -7.087  -1.784  -0.211
   70    H4*    A  22           H4*        A  22  -8.966  -1.123  -2.476
   71    H3*    A  22           H3*        A  22  -6.208  -2.313  -2.491
   72   1H2*    A  22          1H2*        A  22  -5.631  -0.960  -4.397
   73   2HO*    A  22          2HO*        A  22  -7.568  -0.960  -5.548
   74    H1*    A  22           H1*        A  22  -6.541   1.393  -3.293
   75    H8     A  22           H8         A  22  -5.574   0.077  -0.128
   76   1H6     A  22           H61        A  22  -0.733   0.427  -0.335
   77   2H6     A  22           H62        A  22   0.399   0.655  -1.648
   78    H2     A  22           H2         A  22  -2.021   0.889  -5.424
   79   1H5*    U  23          1H5*        U  23  -8.635  -5.758  -6.081
   80   2H5*    U  23          2H5*        U  23  -7.623  -5.113  -4.775
   81    H4*    U  23           H4*        U  23  -8.120  -3.017  -6.619
   82    H3*    U  23           H3*        U  23  -8.361  -5.161  -8.221
   83   1H2*    U  23          1H2*        U  23  -6.275  -6.228  -7.615
   84   2HO*    U  23          2HO*        U  23  -5.519  -4.350  -9.628
   85    H1*    U  23           H1*        U  23  -4.934  -3.475  -7.693
   86    H3     U  23           H3         U  23  -1.335  -6.365  -7.204
   87    H5     U  23           H5         U  23  -3.193  -6.051  -3.446
   88    H6     U  23           H6         U  23  -5.060  -4.986  -4.541
   89   1H5*    U  25          1H5*        U  25 -10.815  -0.756  -7.185
   90   2H5*    U  25          2H5*        U  25 -11.191  -1.296  -8.833
   91    H4*    U  25           H4*        U  25  -9.926   0.364  -9.816
   92    H3*    U  25           H3*        U  25  -7.948   0.084  -7.957
   93   1H2*    U  25          1H2*        U  25  -9.064   1.373  -6.234
   94   2HO*    U  25          2HO*        U  25  -7.244   2.571  -6.389
   95    H1*    U  25           H1*        U  25  -9.943   3.219  -8.524
   96    H3     U  25           H3         U  25 -12.762   5.896  -6.319
   97    H5     U  25           H5         U  25 -12.054   2.822  -3.538
   98    H6     U  25           H6         U  25 -10.722   1.714  -5.210
   99   1H5*    G  26          1H5*        G  26  -6.015  -2.321 -10.507
  100   2H5*    G  26          2H5*        G  26  -5.403  -1.458  -9.084
  101    H4*    G  26           H4*        G  26  -4.557  -0.789 -11.890
  102    H3*    G  26           H3*        G  26  -3.459  -2.974 -10.160
  103   1H2*    G  26          1H2*        G  26  -1.223  -2.324 -10.750
  104   2HO*    G  26          2HO*        G  26  -0.805  -0.853 -12.389
  105    H1*    G  26           H1*        G  26  -1.594   0.391 -10.375
  106    H8     G  26           H8         G  26  -3.773  -1.187  -7.824
  107    H1     G  26           H1         G  26   2.445  -1.248  -6.212
  108   1H2     G  26           H21        G  26   2.994  -0.357  -9.519
  109   2H2     G  26           H22        G  26   3.685  -0.726  -7.954
  110   1H5*    A  27          1H5*        A  27  -0.498  -6.051 -12.489
  111   2H5*    A  27          2H5*        A  27  -0.833  -5.500 -10.835
  112    H4*    A  27           H4*        A  27   1.162  -4.298 -12.751
  113    H3*    A  27           H3*        A  27   1.543  -6.259 -10.521
  114   1H2*    A  27          1H2*        A  27   3.540  -5.108  -9.843
  115   2HO*    A  27          2HO*        A  27   4.330  -4.631 -11.956
  116    H1*    A  27           H1*        A  27   2.454  -2.560  -9.952
  117    H8     A  27           H8         A  27  -0.526  -4.273  -8.842
  118   1H6     A  27           H61        A  27   0.481  -4.999  -4.141
  119   2H6     A  27           H62        A  27   1.945  -4.863  -3.192
  120    H2     A  27           H2         A  27   5.209  -3.597  -6.001
  121   1H5*    G  28          1H5*        G  28   6.545  -8.040 -11.777
  122   2H5*    G  28          2H5*        G  28   5.460  -8.540 -10.464
  123    H4*    G  28           H4*        G  28   7.450  -6.325 -10.574
  124    H3*    G  28           H3*        G  28   6.867  -8.559  -8.662
  125   1H2*    G  28          1H2*        G  28   7.594  -7.187  -6.832
  126   2HO*    G  28          2HO*        G  28   8.343  -5.222  -8.762
  127    H1*    G  28           H1*        G  28   6.212  -4.903  -7.612
  128    H8     G  28           H8         G  28   3.586  -6.993  -8.636
  129    H1     G  28           H1         G  28   4.492  -7.691  -2.309
  130   1H2     G  28           H21        G  28   7.569  -6.206  -2.903
  131   2H2     G  28           H22        G  28   6.466  -6.904  -1.738
  132   1H5*    C  29          1H5*        C  29  10.209  -7.198  -7.063
  133   2H5*    C  29          2H5*        C  29  11.479  -8.418  -7.268
  134    H4*    C  29           H4*        C  29  11.533  -7.712  -5.016
  135    H3*    C  29           H3*        C  29  10.362 -10.464  -5.335
  136   1H2*    C  29          1H2*        C  29  10.074 -10.571  -2.958
  137   2HO*    C  29          2HO*        C  29  11.715  -8.239  -2.916
  138    H1*    C  29           H1*        C  29   9.165  -7.914  -2.664
  139   1H4     C  29           H41        C  29   3.843 -11.333  -4.548
  140   2H4     C  29           H42        C  29   3.856 -11.405  -2.799
  141    H5     C  29           H5         C  29   5.651 -10.355  -5.839
  142    H6     C  29           H6         C  29   7.819  -9.243  -5.707
  143   1H5*    C  30          1H5*        C  30  13.269 -13.122  -1.771
  144   2H5*    C  30          2H5*        C  30  11.571 -12.836  -2.202
  145    H4*    C  30           H4*        C  30  12.872 -10.915  -0.354
  146    H3*    C  30           H3*        C  30  13.325 -13.442   0.438
  147   1H2*    C  30          1H2*        C  30  11.043 -14.220   0.332
  148   2HO*    C  30          2HO*        C  30  11.800 -14.387   2.545
  149    H1*    C  30           H1*        C  30  10.140 -11.567   1.564
  150   1H4     C  30           H41        C  30   4.856 -13.934  -1.607
  151   2H4     C  30           H42        C  30   4.564 -14.301   0.078
  152    H5     C  30           H5         C  30   6.954 -13.023  -2.413
  153    H6     C  30           H6         C  30   9.185 -12.276  -1.763
  154   1H5*    U  31          1H5*        U  31  14.864 -15.167   2.017
  155   2H5*    U  31          2H5*        U  31  13.707 -14.092   2.824
  156    H4*    U  31           H4*        U  31  16.569 -14.458   3.691
  157    H3*    U  31           H3*        U  31  14.886 -16.532   3.990
  158   1H2*    U  31          1H2*        U  31  13.121 -15.339   5.133
  159   2HO*    U  31          2HO*        U  31  14.696 -16.836   6.676
  160    H1*    U  31           H1*        U  31  15.254 -13.881   6.774
  161    H3     U  31           H3         U  31  11.898 -11.880   9.008
  162    H5     U  31           H5         U  31  10.958 -11.168   4.970
  163    H6     U  31           H6         U  31  12.805 -12.593   4.366
  164   1H5*    G  32          1H5*        G  32  14.712 -20.227   5.267
  165   2H5*    G  32          2H5*        G  32  14.389 -18.755   4.329
  166    H4*    G  32           H4*        G  32  13.335 -18.876   7.096
  167    H3*    G  32           H3*        G  32  12.726 -21.140   5.805
  168   1H2*    G  32          1H2*        G  32  11.875 -20.115   3.779
  169   2HO*    G  32          2HO*        G  32  10.169 -21.388   4.669
  170    H1*    G  32           H1*        G  32  10.405 -18.065   5.514
  171    H8     G  32           H8         G  32  13.051 -17.146   3.001
  172    H1     G  32           H1         G  32   7.033 -16.439   0.844
  173   1H2     G  32           H21        G  32   6.131 -18.143   3.727
  174   2H2     G  32           H22        G  32   5.614 -17.359   2.252
  175   1H5*    G  33          1H5*        G  33   8.605 -22.518   9.960
  176   2H5*    G  33          2H5*        G  33   8.601 -22.842   8.217
  177    H4*    G  33           H4*        G  33   6.682 -21.513   8.949
  178    H3*    G  33           H3*        G  33   7.996 -21.060   6.628
  179   1H2*    G  33          1H2*        G  33   9.427 -19.289   7.448
  180   2HO*    G  33          2HO*        G  33   8.372 -18.235   5.815
  181    H1*    G  33           H1*        G  33   7.022 -18.221   9.017
  182    H8     G  33           H8         G  33  10.808 -18.987   9.389
  183    H1     G  33           H1         G  33   8.765 -13.415  11.871
  184   1H2     G  33           H21        G  33   5.642 -14.418  10.735
  185   2H2     G  33           H22        G  33   6.595 -13.203  11.557
  186   1H5*    G  34          1H5*        G  34   5.929 -17.280   5.356
  187   2H5*    G  34          2H5*        G  34   5.246 -17.793   6.912
  188    H4*    G  34           H4*        G  34   3.033 -17.201   6.195
  189    H3*    G  34           H3*        G  34   3.701 -17.508   3.576
  190   1H2*    G  34          1H2*        G  34   5.079 -15.527   3.413
  191   2HO*    G  34          2HO*        G  34   3.650 -13.820   2.610
  192    H1*    G  34           H1*        G  34   2.996 -14.118   5.171
  193    H8     G  34           H8         G  34   5.597 -13.272   3.004
  194    H1     G  34           H1         G  34   6.693 -10.542   8.721
  195   1H2     G  34           H21        G  34   4.346 -12.812   9.902
  196   2H2     G  34           H22        G  34   5.445 -11.500  10.264
  197   1H5*    A  35          1H5*        A  35  -1.622 -17.113   3.766
  198   2H5*    A  35          2H5*        A  35  -1.665 -16.643   2.056
  199    H4*    A  35           H4*        A  35  -0.491 -15.251   4.404
  200    H3*    A  35           H3*        A  35  -2.643 -14.524   3.054
  201   1H2*    A  35          1H2*        A  35  -1.652 -14.549   0.838
  202   2HO*    A  35          2HO*        A  35  -1.148 -12.288   0.373
  203    H1*    A  35           H1*        A  35   0.764 -13.030   1.927
  204    H8     A  35           H8         A  35   1.436 -16.419   0.735
  205   1H6     A  35           H61        A  35   2.891 -15.456  -3.812
  206   2H6     A  35           H62        A  35   2.792 -14.031  -4.824
  207    H2     A  35           H2         A  35   0.757 -10.847  -2.395
  208   1H5*    G  36          1H5*        G  36  -1.280 -10.025   6.310
  209   2H5*    G  36          2H5*        G  36  -1.128 -10.684   4.669
  210    H4*    G  36           H4*        G  36   0.843 -11.221   6.884
  211    H3*    G  36           H3*        G  36   0.809  -8.912   4.967
  212   1H2*    G  36          1H2*        G  36   3.161  -9.168   4.614
  213   2HO*    G  36          2HO*        G  36   4.065  -9.571   6.542
  214    H1*    G  36           H1*        G  36   3.156 -11.965   4.456
  215    H8     G  36           H8         G  36   0.097 -10.856   2.689
  216    H1     G  36           H1         G  36   5.441 -10.100  -0.796
  217   1H2     G  36           H21        G  36   7.103 -10.752   2.175
  218   2H2     G  36           H22        G  36   7.217 -10.377   0.471
  219   1H5*    C  37          1H5*        C  37   4.064  -5.392   6.302
  220   2H5*    C  37          2H5*        C  37   3.168  -5.891   4.853
  221    H4*    C  37           H4*        C  37   5.893  -6.827   5.740
  222    H3*    C  37           H3*        C  37   5.032  -4.949   3.566
  223   1H2*    C  37          1H2*        C  37   6.725  -5.860   2.121
  224   2HO*    C  37          2HO*        C  37   8.159  -6.183   4.131
  225    H1*    C  37           H1*        C  37   6.144  -8.517   2.653
  226   1H4     C  37           H41        C  37   1.065  -6.702  -1.127
  227   2H4     C  37           H42        C  37   2.408  -6.771  -2.247
  228    H5     C  37           H5         C  37   1.333  -6.950   1.269
  229    H6     C  37           H6         C  37   2.941  -7.295   3.070
  230   1H5*    U  38          1H5*        U  38   8.813  -4.825   2.729
  231   2H5*    U  38          2H5*        U  38   9.388  -3.163   2.959
  232    H4*    U  38           H4*        U  38   9.972  -3.866   0.765
  233    H3*    U  38           H3*        U  38   7.769  -1.820   0.824
  234   1H2*    U  38          1H2*        U  38   7.714  -1.877  -1.568
  235   2HO*    U  38          2HO*        U  38   9.898  -1.887  -2.049
  236    H1*    U  38           H1*        U  38   8.019  -4.679  -1.790
  237    H3     U  38           H3         U  38   3.849  -3.525  -3.310
  238    H5     U  38           H5         U  38   3.471  -3.986   0.853
  239    H6     U  38           H6         U  38   5.870  -4.129   0.982
  240   1H5*    C  39          1H5*        C  39   9.287   2.134  -2.042
  241   2H5*    C  39          2H5*        C  39   7.762   1.318  -1.648
  242    H4*    C  39           H4*        C  39   9.551   0.823  -4.023
  243    H3*    C  39           H3*        C  39   6.911   2.222  -3.765
  244   1H2*    C  39          1H2*        C  39   6.216   1.266  -5.859
  245   2HO*    C  39          2HO*        C  39   8.219   1.432  -6.965
  246    H1*    C  39           H1*        C  39   7.038  -1.314  -5.276
  247   1H4     C  39           H41        C  39   1.675  -0.609  -1.508
  248   2H4     C  39           H42        C  39   1.042  -0.878  -3.116
  249    H5     C  39           H5         C  39   4.032  -0.274  -1.060
  250    H6     C  39           H6         C  39   6.256  -0.160  -2.057
  251   1H5*    U  40          1H5*        U  40   6.063   5.503  -7.635
  252   2H5*    U  40          2H5*        U  40   5.341   5.095  -6.065
  253    H4*    U  40           H4*        U  40   5.178   3.605  -8.666
  254    H3*    U  40           H3*        U  40   3.133   4.933  -6.917
  255   1H2*    U  40          1H2*        U  40   1.557   3.205  -7.487
  256   2HO*    U  40          2HO*        U  40   1.721   2.176  -9.331
  257    H1*    U  40           H1*        U  40   3.305   1.093  -7.074
  258    H3     U  40           H3         U  40   0.223   1.751  -3.614
  259    H5     U  40           H5         U  40   3.925   3.320  -2.397
  260    H6     U  40           H6         U  40   4.694   3.075  -4.666
  261   1H5*    C  41          1H5*        C  41   0.951   4.174 -10.187
  262   2H5*    C  41          2H5*        C  41  -0.038   5.561 -10.686
  263    H4*    C  41           H4*        C  41  -1.410   3.628 -10.202
  264    H3*    C  41           H3*        C  41  -1.732   5.961  -8.333
  265   1H2*    C  41          1H2*        C  41  -3.469   4.761  -7.201
  266   2HO*    C  41          2HO*        C  41  -4.667   3.543  -8.472
  267    H1*    C  41           H1*        C  41  -2.045   2.346  -7.132
  268   1H4     C  41           H41        C  41   0.700   5.714  -2.215
  269   2H4     C  41           H42        C  41  -0.840   5.191  -1.567
  270    H5     C  41           H5         C  41   1.295   5.474  -4.556
  271    H6     C  41           H6         C  41   0.546   4.653  -6.726
  272   1H5*    U  42          1H5*        U  42  -6.518   6.295 -10.414
  273   2H5*    U  42          2H5*        U  42  -5.161   6.595  -9.310
  274    H4*    U  42           H4*        U  42  -7.430   4.687  -8.759
  275    H3*    U  42           H3*        U  42  -7.201   7.598  -8.061
  276   1H2*    U  42          1H2*        U  42  -8.062   7.141  -5.886
  277   2HO*    U  42          2HO*        U  42  -8.806   4.606  -6.958
  278    H1*    U  42           H1*        U  42  -6.733   4.652  -5.537
  279    H3     U  42           H3         U  42  -5.332   7.698  -2.376
  280    H5     U  42           H5         U  42  -2.772   8.126  -5.684
  281    H6     U  42           H6         U  42  -4.290   6.743  -6.945
  282   1H5*    G  43          1H5*        G  43 -12.055   8.885  -6.584
  283   2H5*    G  43          2H5*        G  43 -10.419   9.433  -6.166
  284    H4*    G  43           H4*        G  43 -12.098   7.355  -4.782
  285    H3*    G  43           H3*        G  43 -11.227  10.113  -4.001
  286   1H2*    G  43          1H2*        G  43 -10.917   9.379  -1.738
  287   2HO*    G  43          2HO*        G  43 -11.606   7.329  -1.055
  288    H1*    G  43           H1*        G  43  -9.587   7.014  -2.371
  289    H8     G  43           H8         G  43  -8.175   9.088  -4.965
  290    H1     G  43           H1         G  43  -6.076  10.890   0.839
  291   1H2     G  43           H21        G  43  -8.719   8.989   2.039
  292   2H2     G  43           H22        G  43  -7.352  10.017   2.408
  293   1H5*    G  44          1H5*        G  44 -14.876  11.721  -0.540
  294   2H5*    G  44          2H5*        G  44 -13.414  12.562  -1.094
  295    H4*    G  44           H4*        G  44 -13.856  10.837   1.287
  296    H3*    G  44           H3*        G  44 -12.568  13.498   0.796
  297   1H2*    G  44          1H2*        G  44 -11.036  13.093   2.599
  298   2HO*    G  44          2HO*        G  44 -12.700  10.842   3.157
  299    H1*    G  44           H1*        G  44 -10.419  10.477   1.878
  300    H8     G  44           H8         G  44 -10.603  11.648  -1.470
  301    H1     G  44           H1         G  44  -5.729  14.508   1.598
  302   1H2     G  44           H21        G  44  -7.318  13.416   4.484
  303   2H2     G  44           H22        G  44  -5.969  14.275   3.776
  304   1H5*    C  45          1H5*        C  45 -12.482  13.607   4.687
  305   2H5*    C  45          2H5*        C  45 -13.701  14.768   5.250
  306    H4*    C  45           H4*        C  45 -11.818  15.318   6.468
  307    H3*    C  45           H3*        C  45 -12.027  17.187   4.121
  308   1H2*    C  45          1H2*        C  45 -10.019  18.262   4.861
  309   2HO*    C  45          2HO*        C  45 -10.391  18.354   7.072
  310    H1*    C  45           H1*        C  45  -8.662  15.879   5.535
  311   1H4     C  45           H41        C  45  -7.964  16.597  -1.002
  312   2H4     C  45           H42        C  45  -6.547  17.330  -0.284
  313    H5     C  45           H5         C  45  -9.819  15.752   0.312
  314    H6     C  45           H6         C  45 -10.679  15.432   2.574
  315   1H5*    C  46          1H5*        C  46 -12.469  22.002   6.507
  316   2H5*    C  46          2H5*        C  46 -11.865  21.465   4.927
  317    H4*    C  46           H4*        C  46 -10.362  22.049   7.447
  318    H3*    C  46           H3*        C  46 -10.225  23.090   4.639
  319   1H2*    C  46          1H2*        C  46  -7.848  23.349   4.851
  320   2HO*    C  46          2HO*        C  46  -7.447  24.069   6.861
  321    H1*    C  46           H1*        C  46  -7.389  20.866   6.020
  322   1H4     C  46           H41        C  46  -8.485  19.365  -0.302
  323   2H4     C  46           H42        C  46  -6.826  19.917  -0.260
  324    H5     C  46           H5         C  46  -9.967  19.499   1.612
  325    H6     C  46           H6         C  46 -10.155  20.198   3.942
  326    H3T    C  46           H3T        C  46 -10.346  24.900   5.630
  327   1H    ARG  47          1H        ARG  47  -2.122  -4.310   4.312
  328   2H    ARG  47          3H        ARG  47  -1.217  -3.161   3.450
  329   3H    ARG  47          2H        ARG  47  -2.807  -3.523   2.971
  330    HA   ARG  47           HA       ARG  47  -2.192  -5.729   2.317
  331   1HB   ARG  47          2HB       ARG  47  -0.527  -3.438   1.288
  332   2HB   ARG  47          1HB       ARG  47  -0.319  -5.059   0.627
  333   1HG   ARG  47          2HG       ARG  47  -2.664  -5.159  -0.007
  334   2HG   ARG  47          1HG       ARG  47  -2.982  -3.615   0.787
  335   1HD   ARG  47          2HD       ARG  47  -1.750  -2.399  -0.817
  336   2HD   ARG  47          1HD       ARG  47  -0.913  -3.842  -1.395
  337    HE   ARG  47           HE       ARG  47  -3.727  -4.125  -1.851
  338   1HH1  ARG  47          1HH2      ARG  47  -0.978  -4.146  -3.554
  339   2HH1  ARG  47          2HH2      ARG  47  -1.517  -3.180  -4.886
  340   1HH2  ARG  47          1HH1      ARG  47  -4.397  -2.103  -3.277
  341   2HH2  ARG  47          2HH1      ARG  47  -3.456  -2.014  -4.725
   
  No H/Q in entry =         341
  Start of MODEL    8
    1   1H5*    G  16          1H5*        G  16   3.196  22.437  -5.906
    2   2H5*    G  16          2H5*        G  16   1.432  22.345  -5.765
    3    H4*    G  16           H4*        G  16   3.347  23.723  -3.893
    4    H3*    G  16           H3*        G  16   1.833  21.142  -3.665
    5   1H2*    G  16          1H2*        G  16   1.391  21.608  -1.353
    6   2HO*    G  16          2HO*        G  16   3.012  22.565  -0.364
    7    H1*    G  16           H1*        G  16   0.679  24.277  -1.716
    8    H8     G  16           H8         G  16  -0.604  22.485  -4.712
    9    H1     G  16           H1         G  16  -4.248  21.622   0.515
   10   1H2     G  16           H21        G  16  -1.586  23.050   2.223
   11   2H2     G  16           H22        G  16  -3.188  22.352   2.303
   12    H5T    G  16           H5T        G  16   1.397  24.642  -5.960
   13   1H5*    G  17          1H5*        G  17   4.204  18.636   0.323
   14   2H5*    G  17          2H5*        G  17   2.669  18.422  -0.540
   15    H4*    G  17           H4*        G  17   3.266  20.081   1.888
   16    H3*    G  17           H3*        G  17   1.455  17.749   1.362
   17   1H2*    G  17          1H2*        G  17  -0.162  18.672   2.891
   18   2HO*    G  17          2HO*        G  17   1.703  20.769   3.410
   19    H1*    G  17           H1*        G  17  -0.118  21.214   1.820
   20    H8     G  17           H8         G  17   0.509  19.541  -1.287
   21    H1     G  17           H1         G  17  -5.396  18.161   0.850
   22   1H2     G  17           H21        G  17  -4.258  19.417   3.878
   23   2H2     G  17           H22        G  17  -5.579  18.712   2.974
   24   1H5*    C  18          1H5*        C  18   1.160  18.161   5.198
   25   2H5*    C  18          2H5*        C  18   1.502  16.701   6.145
   26    H4*    C  18           H4*        C  18  -0.647  17.548   6.751
   27    H3*    C  18           H3*        C  18  -0.747  14.965   5.208
   28   1H2*    C  18          1H2*        C  18  -3.136  14.990   5.478
   29   2HO*    C  18          2HO*        C  18  -3.457  15.712   7.533
   30    H1*    C  18           H1*        C  18  -3.427  17.701   4.834
   31   1H4     C  18           H41        C  18  -2.631  14.715  -0.996
   32   2H4     C  18           H42        C  18  -4.311  14.448  -0.591
   33    H5     C  18           H5         C  18  -1.050  15.724   0.540
   34    H6     C  18           H6         C  18  -0.765  16.677   2.766
   35   1H5*    C  19          1H5*        C  19  -2.174  13.533   9.063
   36   2H5*    C  19          2H5*        C  19  -1.870  11.790   9.185
   37    H4*    C  19           H4*        C  19  -4.268  12.465   8.958
   38    H3*    C  19           H3*        C  19  -3.073  10.517   6.989
   39   1H2*    C  19          1H2*        C  19  -5.272  10.319   6.030
   40   2HO*    C  19          2HO*        C  19  -6.176  10.605   8.362
   41    H1*    C  19           H1*        C  19  -5.810  13.088   6.122
   42   1H4     C  19           H41        C  19  -2.180  12.294   0.679
   43   2H4     C  19           H42        C  19  -3.788  11.789   0.209
   44    H5     C  19           H5         C  19  -1.585  12.830   2.970
   45    H6     C  19           H6         C  19  -2.410  12.980   5.261
   46   1H5*    A  20          1H5*        A  20  -6.841   8.834   7.810
   47   2H5*    A  20          2H5*        A  20  -6.403   7.370   8.710
   48    H4*    A  20           H4*        A  20  -7.985   6.629   7.203
   49    H3*    A  20           H3*        A  20  -5.256   6.020   6.092
   50   1H2*    A  20          1H2*        A  20  -6.324   5.041   4.178
   51   2HO*    A  20          2HO*        A  20  -8.532   4.619   4.134
   52    H1*    A  20           H1*        A  20  -8.251   7.068   3.883
   53    H8     A  20           H8         A  20  -5.084   8.795   4.774
   54   1H6     A  20           H61        A  20  -3.082   9.095   0.349
   55   2H6     A  20           H62        A  20  -3.459   8.353  -1.189
   56    H2     A  20           H2         A  20  -7.047   5.730  -0.526
   57   1H5*    G  21          1H5*        G  21  -6.284   0.525   5.421
   58   2H5*    G  21          2H5*        G  21  -5.314   1.746   4.573
   59    H4*    G  21           H4*        G  21  -8.223   1.079   4.163
   60    H3*    G  21           H3*        G  21  -5.782   0.575   2.493
   61   1H2*    G  21          1H2*        G  21  -7.104   1.022   0.499
   62   2HO*    G  21          2HO*        G  21  -9.285   1.325   2.326
   63    H1*    G  21           H1*        G  21  -7.974   3.442   1.386
   64    H8     G  21           H8         G  21  -4.961   3.400   3.381
   65    H1     G  21           H1         G  21  -3.556   3.979  -2.859
   66   1H2     G  21           H21        G  21  -6.806   2.888  -3.378
   67   2H2     G  21           H22        G  21  -5.285   3.395  -4.082
   68   1H5*    A  22          1H5*        A  22  -9.136  -0.045  -0.630
   69   2H5*    A  22          2H5*        A  22  -9.261  -1.812  -0.715
   70    H4*    A  22           H4*        A  22  -8.644  -1.030  -2.856
   71    H3*    A  22           H3*        A  22  -6.344  -2.353  -1.431
   72   1H2*    A  22          1H2*        A  22  -5.039  -2.005  -3.421
   73   2HO*    A  22          2HO*        A  22  -5.938  -1.722  -5.344
   74    H1*    A  22           H1*        A  22  -5.909   0.639  -3.813
   75    H8     A  22           H8         A  22  -5.273  -0.469  -0.194
   76   1H6     A  22           H61        A  22  -0.725   1.223   0.190
   77   2H6     A  22           H62        A  22   0.399   1.906  -0.964
   78    H2     A  22           H2         A  22  -1.683   1.951  -4.944
   79   1H5*    U  23          1H5*        U  23  -7.851  -4.436  -5.459
   80   2H5*    U  23          2H5*        U  23  -6.799  -5.829  -5.778
   81    H4*    U  23           H4*        U  23  -6.693  -3.058  -6.830
   82    H3*    U  23           H3*        U  23  -7.315  -5.336  -8.120
   83   1H2*    U  23          1H2*        U  23  -5.227  -6.486  -7.760
   84   2HO*    U  23          2HO*        U  23  -3.872  -5.904  -9.697
   85    H1*    U  23           H1*        U  23  -3.729  -3.871  -8.321
   86    H3     U  23           H3         U  23   0.110  -6.166  -7.703
   87    H5     U  23           H5         U  23  -2.137  -7.048  -4.259
   88    H6     U  23           H6         U  23  -4.005  -5.916  -5.279
   89   1H5*    U  25          1H5*        U  25  -9.835  -1.586  -6.965
   90   2H5*    U  25          2H5*        U  25 -10.264  -1.880  -8.662
   91    H4*    U  25           H4*        U  25  -9.336   0.122  -9.379
   92    H3*    U  25           H3*        U  25  -7.261  -0.104  -7.616
   93   1H2*    U  25          1H2*        U  25  -8.510   0.646  -5.686
   94   2HO*    U  25          2HO*        U  25  -6.831   2.143  -5.867
   95    H1*    U  25           H1*        U  25  -9.813   2.657  -7.605
   96    H3     U  25           H3         U  25 -12.998   4.327  -4.953
   97    H5     U  25           H5         U  25 -11.565   1.062  -2.723
   98    H6     U  25           H6         U  25 -10.127   0.520  -4.577
   99   1H5*    G  26          1H5*        G  26  -5.763  -1.423 -11.025
  100   2H5*    G  26          2H5*        G  26  -4.814  -1.984  -9.635
  101    H4*    G  26           H4*        G  26  -4.096  -0.220 -11.842
  102    H3*    G  26           H3*        G  26  -2.630  -2.133 -10.080
  103   1H2*    G  26          1H2*        G  26  -0.582  -0.927 -10.446
  104   2HO*    G  26          2HO*        G  26  -0.347   0.547 -12.044
  105    H1*    G  26           H1*        G  26  -1.628   1.576  -9.958
  106    H8     G  26           H8         G  26  -3.793   0.078  -7.613
  107    H1     G  26           H1         G  26   2.291  -0.694  -5.704
  108   1H2     G  26           H21        G  26   3.101   0.109  -8.979
  109   2H2     G  26           H22        G  26   3.666  -0.327  -7.382
  110   1H5*    A  27          1H5*        A  27   0.171  -1.832 -12.612
  111   2H5*    A  27          2H5*        A  27   0.419  -3.370 -13.460
  112    H4*    A  27           H4*        A  27   2.513  -2.694 -12.631
  113    H3*    A  27           H3*        A  27   1.366  -4.942 -10.988
  114   1H2*    A  27          1H2*        A  27   3.387  -4.907  -9.696
  115   2HO*    A  27          2HO*        A  27   4.859  -4.631 -11.429
  116    H1*    A  27           H1*        A  27   3.559  -2.088  -9.570
  117    H8     A  27           H8         A  27  -0.007  -3.086  -9.055
  118   1H6     A  27           H61        A  27   0.120  -3.944  -4.262
  119   2H6     A  27           H62        A  27   1.420  -4.044  -3.098
  120    H2     A  27           H2         A  27   5.244  -3.359  -5.346
  121   1H5*    G  28          1H5*        G  28   5.834  -8.369 -11.878
  122   2H5*    G  28          2H5*        G  28   4.548  -8.222 -10.662
  123    H4*    G  28           H4*        G  28   7.065  -6.581 -10.898
  124    H3*    G  28           H3*        G  28   6.233  -8.720  -8.967
  125   1H2*    G  28          1H2*        G  28   7.213  -7.488  -7.166
  126   2HO*    G  28          2HO*        G  28   9.136  -6.829  -8.101
  127    H1*    G  28           H1*        G  28   6.343  -4.951  -7.997
  128    H8     G  28           H8         G  28   3.275  -6.646  -8.624
  129    H1     G  28           H1         G  28   4.550  -6.580  -2.325
  130   1H2     G  28           H21        G  28   7.795  -5.842  -3.308
  131   2H2     G  28           H22        G  28   6.683  -6.139  -1.991
  132   1H5*    C  29          1H5*        C  29  11.062  -7.838  -6.840
  133   2H5*    C  29          2H5*        C  29  11.235  -9.466  -7.525
  134    H4*    C  29           H4*        C  29  11.344  -9.349  -5.040
  135    H3*    C  29           H3*        C  29   9.305 -11.110  -6.380
  136   1H2*    C  29          1H2*        C  29   8.533 -11.790  -4.232
  137   2HO*    C  29          2HO*        C  29  10.545 -12.173  -3.262
  138    H1*    C  29           H1*        C  29   8.888  -9.232  -2.983
  139   1H4     C  29           H41        C  29   2.802  -9.695  -5.582
  140   2H4     C  29           H42        C  29   2.614  -9.622  -3.846
  141    H5     C  29           H5         C  29   4.962  -9.674  -6.676
  142    H6     C  29           H6         C  29   7.373  -9.601  -6.325
  143   1H5*    C  30          1H5*        C  30   9.305 -14.537  -7.822
  144   2H5*    C  30          2H5*        C  30   8.558 -12.928  -7.872
  145    H4*    C  30           H4*        C  30   7.203 -15.247  -7.712
  146    H3*    C  30           H3*        C  30   6.341 -12.709  -7.858
  147   1H2*    C  30          1H2*        C  30   6.613 -12.175  -5.516
  148   2HO*    C  30          2HO*        C  30   4.033 -13.351  -5.810
  149    H1*    C  30           H1*        C  30   5.443 -14.920  -4.827
  150   1H4     C  30           H41        C  30   7.832 -12.313   0.680
  151   2H4     C  30           H42        C  30   8.768 -13.791   0.632
  152    H5     C  30           H5         C  30   6.426 -11.588  -1.158
  153    H6     C  30           H6         C  30   5.651 -12.111  -3.401
  154   1H5*    U  31          1H5*        U  31   3.821 -16.967  -7.757
  155   2H5*    U  31          2H5*        U  31   5.385 -16.724  -6.955
  156    H4*    U  31           H4*        U  31   4.702 -18.870  -8.961
  157    H3*    U  31           H3*        U  31   3.953 -19.069  -6.388
  158   1H2*    U  31          1H2*        U  31   6.129 -18.693  -5.404
  159   2HO*    U  31          2HO*        U  31   5.964 -21.480  -5.988
  160    H1*    U  31           H1*        U  31   7.336 -20.492  -7.568
  161    H3     U  31           H3         U  31  11.495 -19.874  -6.053
  162    H5     U  31           H5         U  31   9.756 -16.079  -5.544
  163    H6     U  31           H6         U  31   7.680 -17.008  -6.342
  164   1H5*    G  32          1H5*        G  32   0.439 -21.466  -6.461
  165   2H5*    G  32          2H5*        G  32   0.583 -20.118  -5.316
  166    H4*    G  32           H4*        G  32   1.466 -21.641  -3.628
  167    H3*    G  32           H3*        G  32   2.237 -23.450  -5.420
  168   1H2*    G  32          1H2*        G  32   0.048 -23.953  -6.327
  169   2HO*    G  32          2HO*        G  32  -0.604 -25.938  -5.333
  170    H1*    G  32           H1*        G  32  -1.074 -24.055  -3.486
  171    H8     G  32           H8         G  32  -2.315 -21.438  -5.804
  172    H1     G  32           H1         G  32  -5.836 -26.818  -5.950
  173   1H2     G  32           H21        G  32  -3.203 -28.214  -4.170
  174   2H2     G  32           H22        G  32  -4.771 -28.443  -4.910
  175   1H5*    G  33          1H5*        G  33   2.597 -23.935   0.276
  176   2H5*    G  33          2H5*        G  33   1.754 -24.687  -1.093
  177    H4*    G  33           H4*        G  33   1.919 -21.796  -1.337
  178    H3*    G  33           H3*        G  33   1.567 -22.271   1.299
  179   1H2*    G  33          1H2*        G  33  -0.357 -23.729   1.061
  180   2HO*    G  33          2HO*        G  33  -1.205 -21.026   1.244
  181    H1*    G  33           H1*        G  33  -1.382 -21.786  -1.082
  182    H8     G  33           H8         G  33  -1.117 -25.524  -0.092
  183    H1     G  33           H1         G  33  -6.325 -23.838  -3.470
  184   1H2     G  33           H21        G  33  -4.872 -20.687  -3.540
  185   2H2     G  33           H22        G  33  -6.215 -21.705  -4.009
  186   1H5*    G  34          1H5*        G  34   0.475 -20.446   4.015
  187   2H5*    G  34          2H5*        G  34  -0.048 -19.305   2.761
  188    H4*    G  34           H4*        G  34   1.243 -18.830   5.315
  189    H3*    G  34           H3*        G  34  -0.880 -17.669   4.154
  190   1H2*    G  34          1H2*        G  34   0.304 -16.648   2.307
  191   2HO*    G  34          2HO*        G  34  -0.692 -14.994   3.747
  192    H1*    G  34           H1*        G  34   2.526 -15.860   4.264
  193    H8     G  34           H8         G  34   1.861 -14.405   1.511
  194    H1     G  34           H1         G  34   6.752 -18.254  -0.108
  195   1H2     G  34           H21        G  34   5.945 -19.977   2.795
  196   2H2     G  34           H22        G  34   6.982 -19.853   1.392
  197   1H5*    A  35          1H5*        A  35  -3.801 -15.074   5.818
  198   2H5*    A  35          2H5*        A  35  -3.999 -15.373   4.080
  199    H4*    A  35           H4*        A  35  -2.442 -13.170   5.416
  200    H3*    A  35           H3*        A  35  -5.032 -12.928   4.951
  201   1H2*    A  35          1H2*        A  35  -5.003 -13.744   2.661
  202   2HO*    A  35          2HO*        A  35  -4.538 -10.936   2.436
  203    H1*    A  35           H1*        A  35  -2.608 -11.936   2.075
  204    H8     A  35           H8         A  35  -2.911 -15.756   1.888
  205   1H6     A  35           H61        A  35  -2.508 -16.189  -2.940
  206   2H6     A  35           H62        A  35  -2.438 -15.027  -4.247
  207    H2     A  35           H2         A  35  -2.707 -10.949  -2.381
  208   1H5*    G  36          1H5*        G  36  -1.034  -9.572   5.046
  209   2H5*    G  36          2H5*        G  36  -1.498 -11.046   4.175
  210    H4*    G  36           H4*        G  36   0.429 -11.514   6.313
  211    H3*    G  36           H3*        G  36   1.160  -9.486   4.234
  212   1H2*    G  36          1H2*        G  36   3.294 -10.554   3.941
  213   2HO*    G  36          2HO*        G  36   2.592 -12.392   6.000
  214    H1*    G  36           H1*        G  36   2.291 -13.129   3.751
  215    H8     G  36           H8         G  36  -0.483 -12.103   2.028
  216    H1     G  36           H1         G  36   4.655 -10.116  -1.285
  217   1H2     G  36           H21        G  36   6.381 -10.617   1.682
  218   2H2     G  36           H22        G  36   6.436 -10.113   0.006
  219   1H5*    C  37          1H5*        C  37   4.553  -9.408   5.512
  220   2H5*    C  37          2H5*        C  37   4.834  -7.973   6.518
  221    H4*    C  37           H4*        C  37   6.637  -8.049   5.046
  222    H3*    C  37           H3*        C  37   4.631  -5.992   4.182
  223   1H2*    C  37          1H2*        C  37   5.967  -5.500   2.256
  224   2HO*    C  37          2HO*        C  37   8.073  -5.881   2.199
  225    H1*    C  37           H1*        C  37   6.552  -8.156   1.602
  226   1H4     C  37           H41        C  37   0.403  -7.290  -0.615
  227   2H4     C  37           H42        C  37   1.413  -6.536  -1.830
  228    H5     C  37           H5         C  37   1.272  -8.127   1.485
  229    H6     C  37           H6         C  37   3.278  -8.411   2.841
  230   1H5*    U  38          1H5*        U  38   7.666  -1.577   3.874
  231   2H5*    U  38          2H5*        U  38   6.121  -2.063   3.149
  232    H4*    U  38           H4*        U  38   8.902  -2.362   2.063
  233    H3*    U  38           H3*        U  38   6.459  -0.891   1.130
  234   1H2*    U  38          1H2*        U  38   7.053  -1.373  -1.146
  235   2HO*    U  38          2HO*        U  38   9.142  -1.381  -1.525
  236    H1*    U  38           H1*        U  38   7.631  -4.055  -0.734
  237    H3     U  38           H3         U  38   3.560  -3.581  -2.857
  238    H5     U  38           H5         U  38   2.754  -3.738   1.268
  239    H6     U  38           H6         U  38   5.118  -3.522   1.665
  240   1H5*    C  39          1H5*        C  39   9.541   0.796  -1.173
  241   2H5*    C  39          2H5*        C  39   9.213   2.502  -1.532
  242    H4*    C  39           H4*        C  39   9.313   0.999  -3.516
  243    H3*    C  39           H3*        C  39   6.878   2.688  -3.016
  244   1H2*    C  39          1H2*        C  39   5.870   1.775  -4.969
  245   2HO*    C  39          2HO*        C  39   7.051   1.190  -6.629
  246    H1*    C  39           H1*        C  39   6.774  -0.874  -4.584
  247   1H4     C  39           H41        C  39   1.322  -0.502  -0.916
  248   2H4     C  39           H42        C  39   0.746  -0.830  -2.534
  249    H5     C  39           H5         C  39   3.636   0.011  -0.420
  250    H6     C  39           H6         C  39   5.868   0.267  -1.366
  251   1H5*    U  40          1H5*        U  40   6.289   5.719  -7.375
  252   2H5*    U  40          2H5*        U  40   5.496   5.541  -5.796
  253    H4*    U  40           H4*        U  40   5.281   3.822  -8.241
  254    H3*    U  40           H3*        U  40   3.294   5.367  -6.609
  255   1H2*    U  40          1H2*        U  40   1.645   3.661  -7.041
  256   2HO*    U  40          2HO*        U  40   1.821   2.290  -8.679
  257    H1*    U  40           H1*        U  40   3.292   1.538  -6.394
  258    H3     U  40           H3         U  40   0.308   2.726  -3.003
  259    H5     U  40           H5         U  40   4.084   4.277  -2.019
  260    H6     U  40           H6         U  40   4.810   3.723  -4.248
  261   1H5*    C  41          1H5*        C  41  -0.248   5.823 -10.820
  262   2H5*    C  41          2H5*        C  41  -0.492   6.812  -9.369
  263    H4*    C  41           H4*        C  41  -1.821   4.407 -10.207
  264    H3*    C  41           H3*        C  41  -2.304   6.469  -8.078
  265   1H2*    C  41          1H2*        C  41  -3.881   4.980  -7.039
  266   2HO*    C  41          2HO*        C  41  -4.858   3.481  -8.166
  267    H1*    C  41           H1*        C  41  -2.161   2.813  -7.088
  268   1H4     C  41           H41        C  41   0.670   6.389  -2.389
  269   2H4     C  41           H42        C  41  -0.854   5.922  -1.663
  270    H5     C  41           H5         C  41   1.173   6.036  -4.736
  271    H6     C  41           H6         C  41   0.336   5.124  -6.837
  272   1H5*    U  42          1H5*        U  42  -7.283   6.361  -9.874
  273   2H5*    U  42          2H5*        U  42  -5.898   6.840  -8.873
  274    H4*    U  42           H4*        U  42  -7.874   4.642  -8.266
  275    H3*    U  42           H3*        U  42  -7.694   7.456  -7.227
  276   1H2*    U  42          1H2*        U  42  -8.290   6.655  -5.044
  277   2HO*    U  42          2HO*        U  42  -8.843   4.195  -6.379
  278    H1*    U  42           H1*        U  42  -6.596   4.434  -5.088
  279    H3     U  42           H3         U  42  -4.978   7.604  -2.177
  280    H5     U  42           H5         U  42  -3.235   8.428  -5.912
  281    H6     U  42           H6         U  42  -4.775   6.858  -6.895
  282   1H5*    G  43          1H5*        G  43 -11.071   5.741  -5.391
  283   2H5*    G  43          2H5*        G  43 -12.394   6.917  -5.488
  284    H4*    G  43           H4*        G  43 -11.960   6.159  -3.201
  285    H3*    G  43           H3*        G  43 -11.580   9.084  -3.791
  286   1H2*    G  43          1H2*        G  43 -11.022   9.419  -1.494
  287   2HO*    G  43          2HO*        G  43 -12.092   6.803  -1.095
  288    H1*    G  43           H1*        G  43  -9.602   6.951  -1.197
  289    H8     G  43           H8         G  43  -8.350   8.573  -4.272
  290    H1     G  43           H1         G  43  -5.990  11.225   1.089
  291   1H2     G  43           H21        G  43  -8.491   9.433   2.698
  292   2H2     G  43           H22        G  43  -7.148  10.545   2.837
  293   1H5*    G  44          1H5*        G  44 -14.907  11.729  -0.922
  294   2H5*    G  44          2H5*        G  44 -13.255  11.993  -1.515
  295    H4*    G  44           H4*        G  44 -14.120  10.988   1.187
  296    H3*    G  44           H3*        G  44 -12.921  13.578   0.275
  297   1H2*    G  44          1H2*        G  44 -11.571  13.662   2.255
  298   2HO*    G  44          2HO*        G  44 -13.191  11.484   3.135
  299    H1*    G  44           H1*        G  44 -10.782  10.988   2.197
  300    H8     G  44           H8         G  44 -10.699  11.592  -1.352
  301    H1     G  44           H1         G  44  -6.051  14.862   1.651
  302   1H2     G  44           H21        G  44  -7.871  14.194   4.529
  303   2H2     G  44           H22        G  44  -6.464  14.947   3.813
  304   1H5*    C  45          1H5*        C  45 -14.054  17.409   3.144
  305   2H5*    C  45          2H5*        C  45 -12.774  17.158   1.941
  306    H4*    C  45           H4*        C  45 -12.626  16.872   4.930
  307    H3*    C  45           H3*        C  45 -11.388  18.791   2.992
  308   1H2*    C  45          1H2*        C  45  -9.367  18.805   4.296
  309   2HO*    C  45          2HO*        C  45  -9.625  18.569   6.387
  310    H1*    C  45           H1*        C  45  -9.184  16.054   4.547
  311   1H4     C  45           H41        C  45  -7.673  16.944  -1.805
  312   2H4     C  45           H42        C  45  -6.305  17.639  -0.967
  313    H5     C  45           H5         C  45  -9.679  16.204  -0.662
  314    H6     C  45           H6         C  45 -10.764  15.965   1.508
  315   1H5*    C  46          1H5*        C  46 -10.347  20.499   6.327
  316   2H5*    C  46          2H5*        C  46 -10.931  22.165   6.504
  317    H4*    C  46           H4*        C  46  -8.607  22.221   6.843
  318    H3*    C  46           H3*        C  46  -9.369  23.325   4.157
  319   1H2*    C  46          1H2*        C  46  -7.054  23.737   3.707
  320   2HO*    C  46          2HO*        C  46  -6.674  23.149   6.473
  321    H1*    C  46           H1*        C  46  -6.122  21.297   4.755
  322   1H4     C  46           H41        C  46  -8.329  19.828  -1.290
  323   2H4     C  46           H42        C  46  -6.670  20.334  -1.515
  324    H5     C  46           H5         C  46  -9.475  19.976   0.846
  325    H6     C  46           H6         C  46  -9.251  20.635   3.186
  326    H3T    C  46           H3T        C  46  -9.922  24.504   5.905
  327   1H    ARG  47          3H        ARG  47  -0.113  -3.175   2.142
  328   2H    ARG  47          2H        ARG  47   0.651  -4.321   1.148
  329   3H    ARG  47          1H        ARG  47  -0.374  -3.151   0.465
  330    HA   ARG  47           HA       ARG  47  -2.290  -4.106   1.512
  331   1HB   ARG  47          2HB       ARG  47  -0.477  -5.713  -0.198
  332   2HB   ARG  47          1HB       ARG  47  -1.761  -6.619   0.601
  333   1HG   ARG  47          2HG       ARG  47  -2.886  -5.946  -1.306
  334   2HG   ARG  47          1HG       ARG  47  -3.247  -4.580  -0.250
  335   1HD   ARG  47          2HD       ARG  47  -1.717  -3.179  -1.308
  336   2HD   ARG  47          1HD       ARG  47  -0.747  -4.526  -1.909
  337    HE   ARG  47           HE       ARG  47  -3.116  -4.849  -3.257
  338   1HH1  ARG  47          1HH1      ARG  47  -3.111  -1.780  -2.597
  339   2HH1  ARG  47          2HH1      ARG  47  -2.551  -1.162  -4.113
  340   1HH2  ARG  47          1HH2      ARG  47  -1.404  -4.230  -5.244
  341   2HH2  ARG  47          2HH2      ARG  47  -1.606  -2.558  -5.625
   
  No H/Q in entry =         341
  Start of MODEL    9
    1   1H5*    G  16          1H5*        G  16   5.573  16.579  -4.982
    2   2H5*    G  16          2H5*        G  16   6.907  17.618  -5.508
    3    H4*    G  16           H4*        G  16   7.516  18.035  -3.191
    4    H3*    G  16           H3*        G  16   5.322  16.105  -2.512
    5   1H2*    G  16          1H2*        G  16   4.674  17.489  -0.666
    6   2HO*    G  16          2HO*        G  16   6.754  18.043   0.085
    7    H1*    G  16           H1*        G  16   4.841  19.918  -2.032
    8    H8     G  16           H8         G  16   3.524  17.477  -4.502
    9    H1     G  16           H1         G  16  -0.912  19.464  -0.291
   10   1H2     G  16           H21        G  16   1.788  20.765   1.459
   11   2H2     G  16           H22        G  16   0.056  20.533   1.374
   12    H5T    G  16           H5T        G  16   8.322  16.164  -4.374
   13   1H5*    G  17          1H5*        G  17   5.737  14.440   2.170
   14   2H5*    G  17          2H5*        G  17   4.459  14.604   0.949
   15    H4*    G  17           H4*        G  17   5.219  16.581   3.093
   16    H3*    G  17           H3*        G  17   2.891  14.712   2.829
   17   1H2*    G  17          1H2*        G  17   1.435  16.405   3.725
   18   2HO*    G  17          2HO*        G  17   3.817  17.920   4.166
   19    H1*    G  17           H1*        G  17   2.365  18.451   2.110
   20    H8     G  17           H8         G  17   2.797  15.947  -0.380
   21    H1     G  17           H1         G  17  -3.448  16.618   0.993
   22   1H2     G  17           H21        G  17  -2.331  18.269   3.832
   23   2H2     G  17           H22        G  17  -3.694  17.703   2.892
   24   1H5*    C  18          1H5*        C  18   1.978  16.325   6.277
   25   2H5*    C  18          2H5*        C  18   1.917  15.086   7.545
   26    H4*    C  18           H4*        C  18  -0.113  16.343   7.573
   27    H3*    C  18           H3*        C  18  -0.428  13.512   6.607
   28   1H2*    C  18          1H2*        C  18  -2.776  13.910   6.359
   29   2HO*    C  18          2HO*        C  18  -2.568  15.371   8.424
   30    H1*    C  18           H1*        C  18  -2.506  16.510   5.283
   31   1H4     C  18           H41        C  18  -1.698  12.479   0.132
   32   2H4     C  18           H42        C  18  -3.428  12.688   0.280
   33    H5     C  18           H5         C  18  -0.122  13.334   1.768
   34    H6     C  18           H6         C  18   0.104  14.571   3.858
   35   1H5*    C  19          1H5*        C  19  -2.374  10.247   8.939
   36   2H5*    C  19          2H5*        C  19  -2.239  10.004   7.186
   37    H4*    C  19           H4*        C  19  -4.379  11.363   8.771
   38    H3*    C  19           H3*        C  19  -4.328   9.107   6.809
   39   1H2*    C  19          1H2*        C  19  -6.446   9.792   5.906
   40   2HO*    C  19          2HO*        C  19  -7.104  10.518   8.190
   41    H1*    C  19           H1*        C  19  -5.829  12.474   5.673
   42   1H4     C  19           H41        C  19  -2.191   9.800   0.875
   43   2H4     C  19           H42        C  19  -3.830   9.643   0.281
   44    H5     C  19           H5         C  19  -1.667  10.560   3.118
   45    H6     C  19           H6         C  19  -2.609  11.315   5.236
   46   1H5*    A  20          1H5*        A  20  -8.180   8.876   7.652
   47   2H5*    A  20          2H5*        A  20  -8.501   7.287   8.378
   48    H4*    A  20           H4*        A  20  -9.989   7.560   6.560
   49    H3*    A  20           H3*        A  20  -7.789   5.593   5.996
   50   1H2*    A  20          1H2*        A  20  -8.685   5.249   3.809
   51   2HO*    A  20          2HO*        A  20 -10.793   5.237   3.665
   52    H1*    A  20           H1*        A  20  -9.332   7.958   3.319
   53    H8     A  20           H8         A  20  -5.946   7.818   4.895
   54   1H6     A  20           H61        A  20  -3.278   7.167   0.875
   55   2H6     A  20           H62        A  20  -3.685   6.781  -0.783
   56    H2     A  20           H2         A  20  -8.153   6.380  -0.972
   57   1H5*    G  21          1H5*        G  21  -9.041   1.346   4.549
   58   2H5*    G  21          2H5*        G  21  -8.029   2.750   4.153
   59    H4*    G  21           H4*        G  21 -10.643   2.188   2.778
   60    H3*    G  21           H3*        G  21  -7.974   0.982   2.125
   61   1H2*    G  21          1H2*        G  21  -8.421   1.343  -0.221
   62   2HO*    G  21          2HO*        G  21 -10.904   1.091   0.422
   63    H1*    G  21           H1*        G  21  -9.168   3.978   0.072
   64    H8     G  21           H8         G  21  -6.753   3.696   2.802
   65    H1     G  21           H1         G  21  -3.889   3.602  -2.952
   66   1H2     G  21           H21        G  21  -7.087   3.042  -4.181
   67   2H2     G  21           H22        G  21  -5.385   3.245  -4.531
   68   1H5*    A  22          1H5*        A  22 -10.466  -0.471  -0.823
   69   2H5*    A  22          2H5*        A  22 -10.196  -2.216  -0.991
   70    H4*    A  22           H4*        A  22  -9.878  -0.961  -3.086
   71    H3*    A  22           H3*        A  22  -7.514  -2.457  -1.970
   72   1H2*    A  22          1H2*        A  22  -6.286  -1.830  -3.934
   73   2HO*    A  22          2HO*        A  22  -7.529  -1.850  -5.675
   74    H1*    A  22           H1*        A  22  -7.174   0.835  -3.888
   75    H8     A  22           H8         A  22  -6.536  -0.259  -0.352
   76   1H6     A  22           H61        A  22  -1.797   0.798  -0.099
   77   2H6     A  22           H62        A  22  -0.593   1.203  -1.302
   78    H2     A  22           H2         A  22  -2.674   1.202  -5.282
   79   1H5*    U  23          1H5*        U  23  -9.359  -6.164  -5.801
   80   2H5*    U  23          2H5*        U  23  -8.514  -5.505  -4.387
   81    H4*    U  23           H4*        U  23  -8.792  -3.443  -6.328
   82    H3*    U  23           H3*        U  23  -8.743  -5.672  -7.869
   83   1H2*    U  23          1H2*        U  23  -6.672  -6.572  -6.998
   84   2HO*    U  23          2HO*        U  23  -4.989  -5.855  -8.469
   85    H1*    U  23           H1*        U  23  -5.579  -3.708  -6.982
   86    H3     U  23           H3         U  23  -1.602  -5.541  -5.839
   87    H5     U  23           H5         U  23  -4.224  -6.743  -2.783
   88    H6     U  23           H6         U  23  -6.045  -5.906  -4.123
   89   1H5*    U  25          1H5*        U  25 -11.757  -1.674  -7.254
   90   2H5*    U  25          2H5*        U  25 -11.658  -1.921  -9.008
   91    H4*    U  25           H4*        U  25 -10.420  -0.039  -9.357
   92    H3*    U  25           H3*        U  25  -8.774  -0.659  -7.267
   93   1H2*    U  25          1H2*        U  25 -10.204   0.263  -5.546
   94   2HO*    U  25          2HO*        U  25  -9.416   2.388  -5.119
   95    H1*    U  25           H1*        U  25 -10.823   2.499  -7.552
   96    H3     U  25           H3         U  25 -13.686   4.734  -4.954
   97    H5     U  25           H5         U  25 -14.083   0.791  -3.550
   98    H6     U  25           H6         U  25 -12.427   0.125  -5.168
   99   1H5*    G  26          1H5*        G  26  -6.610  -2.480 -10.117
  100   2H5*    G  26          2H5*        G  26  -6.112  -1.974  -8.491
  101    H4*    G  26           H4*        G  26  -4.901  -1.026 -11.087
  102    H3*    G  26           H3*        G  26  -4.028  -3.224  -9.244
  103   1H2*    G  26          1H2*        G  26  -1.740  -2.528  -9.514
  104   2HO*    G  26          2HO*        G  26  -2.715  -0.661 -11.443
  105    H1*    G  26           H1*        G  26  -2.218   0.164  -9.122
  106    H8     G  26           H8         G  26  -4.689  -1.655  -6.987
  107    H1     G  26           H1         G  26   1.210  -1.364  -4.450
  108   1H2     G  26           H21        G  26   2.152  -0.230  -7.594
  109   2H2     G  26           H22        G  26   2.639  -0.639  -5.965
  110   1H5*    A  27          1H5*        A  27  -0.415  -5.884 -11.552
  111   2H5*    A  27          2H5*        A  27  -0.800  -5.319  -9.915
  112    H4*    A  27           H4*        A  27   0.962  -3.871 -11.889
  113    H3*    A  27           H3*        A  27   1.712  -5.836  -9.754
  114   1H2*    A  27          1H2*        A  27   3.578  -4.451  -9.138
  115   2HO*    A  27          2HO*        A  27   4.493  -3.377 -10.720
  116    H1*    A  27           H1*        A  27   2.159  -2.074  -9.075
  117    H8     A  27           H8         A  27  -0.441  -4.387  -7.953
  118   1H6     A  27           H61        A  27   0.819  -4.966  -3.301
  119   2H6     A  27           H62        A  27   2.242  -4.536  -2.378
  120    H2     A  27           H2         A  27   5.096  -2.562  -5.228
  121   1H5*    G  28          1H5*        G  28   5.223  -5.026 -11.802
  122   2H5*    G  28          2H5*        G  28   6.236  -6.466 -12.024
  123    H4*    G  28           H4*        G  28   7.394  -4.686 -10.816
  124    H3*    G  28           H3*        G  28   6.947  -7.285  -9.375
  125   1H2*    G  28          1H2*        G  28   8.079  -6.377  -7.470
  126   2HO*    G  28          2HO*        G  28   9.513  -4.799  -7.641
  127    H1*    G  28           H1*        G  28   6.863  -3.846  -7.591
  128    H8     G  28           H8         G  28   4.231  -6.360  -8.374
  129    H1     G  28           H1         G  28   5.532  -5.901  -2.097
  130   1H2     G  28           H21        G  28   8.301  -4.077  -3.124
  131   2H2     G  28           H22        G  28   7.383  -4.744  -1.793
  132   1H5*    C  29          1H5*        C  29  12.023  -8.549  -8.016
  133   2H5*    C  29          2H5*        C  29  10.437  -9.194  -7.551
  134    H4*    C  29           H4*        C  29  12.028  -6.970  -6.347
  135    H3*    C  29           H3*        C  29  10.782  -9.482  -5.281
  136   1H2*    C  29          1H2*        C  29  10.371  -8.374  -3.182
  137   2HO*    C  29          2HO*        C  29  11.837  -6.187  -4.293
  138    H1*    C  29           H1*        C  29   9.271  -6.092  -4.293
  139   1H4     C  29           H41        C  29   4.515 -10.527  -5.321
  140   2H4     C  29           H42        C  29   4.437 -10.225  -3.600
  141    H5     C  29           H5         C  29   6.279  -9.652  -6.734
  142    H6     C  29           H6         C  29   8.325  -8.326  -6.778
  143   1H5*    C  30          1H5*        C  30  12.501  -8.197  -1.960
  144   2H5*    C  30          2H5*        C  30  13.951  -9.197  -1.748
  145    H4*    C  30           H4*        C  30  12.738  -8.866   0.337
  146    H3*    C  30           H3*        C  30  13.838 -11.234  -0.360
  147   1H2*    C  30          1H2*        C  30  11.839 -12.240  -1.266
  148   2HO*    C  30          2HO*        C  30  11.953 -12.705   1.531
  149    H1*    C  30           H1*        C  30  10.277 -10.985   1.052
  150   1H4     C  30           H41        C  30   5.925 -12.377  -3.750
  151   2H4     C  30           H42        C  30   5.326 -13.132  -2.290
  152    H5     C  30           H5         C  30   8.056 -11.226  -3.859
  153    H6     C  30           H6         C  30  10.026 -10.552  -2.588
  154   1H5*    U  31          1H5*        U  31  16.928 -12.274   2.544
  155   2H5*    U  31          2H5*        U  31  17.103 -12.996   0.933
  156    H4*    U  31           H4*        U  31  15.302 -13.704   3.172
  157    H3*    U  31           H3*        U  31  17.331 -15.114   2.108
  158   1H2*    U  31          1H2*        U  31  16.436 -15.311  -0.129
  159   2HO*    U  31          2HO*        U  31  16.574 -17.464   1.049
  160    H1*    U  31           H1*        U  31  13.676 -15.841   1.088
  161    H3     U  31           H3         U  31  12.043 -16.341  -3.068
  162    H5     U  31           H5         U  31  14.195 -12.737  -3.297
  163    H6     U  31           H6         U  31  14.955 -13.132  -1.047
  164   1H5*    G  32          1H5*        G  32  18.045 -18.988   4.393
  165   2H5*    G  32          2H5*        G  32  17.670 -17.829   3.103
  166    H4*    G  32           H4*        G  32  15.450 -18.535   2.946
  167    H3*    G  32           H3*        G  32  15.140 -18.850   5.551
  168   1H2*    G  32          1H2*        G  32  16.709 -20.686   5.827
  169   2HO*    G  32          2HO*        G  32  15.354 -22.630   5.884
  170    H1*    G  32           H1*        G  32  15.477 -22.072   3.396
  171    H8     G  32           H8         G  32  19.044 -20.865   3.517
  172    H1     G  32           H1         G  32  18.344 -27.126   4.808
  173   1H2     G  32           H21        G  32  14.955 -26.404   4.930
  174   2H2     G  32           H22        G  32  16.213 -27.609   5.066
  175   1H5*    G  33          1H5*        G  33  13.386 -19.010   1.802
  176   2H5*    G  33          2H5*        G  33  11.927 -18.209   1.191
  177    H4*    G  33           H4*        G  33  12.081 -20.311   0.135
  178    H3*    G  33           H3*        G  33   9.758 -19.669   1.387
  179   1H2*    G  33          1H2*        G  33  10.187 -20.919   3.415
  180   2HO*    G  33          2HO*        G  33   9.226 -23.099   3.012
  181    H1*    G  33           H1*        G  33  11.373 -23.116   1.632
  182    H8     G  33           H8         G  33  11.887 -21.240   4.989
  183    H1     G  33           H1         G  33  13.224 -27.530   5.001
  184   1H2     G  33           H21        G  33  12.394 -27.391   1.634
  185   2H2     G  33           H22        G  33  12.927 -28.367   2.985
  186   1H5*    G  34          1H5*        G  34   5.373 -21.798   0.911
  187   2H5*    G  34          2H5*        G  34   5.762 -20.435  -0.157
  188    H4*    G  34           H4*        G  34   6.085 -20.580   2.837
  189    H3*    G  34           H3*        G  34   3.761 -19.931   1.671
  190   1H2*    G  34          1H2*        G  34   4.643 -18.192   0.226
  191   2HO*    G  34          2HO*        G  34   4.119 -16.196   1.267
  192    H1*    G  34           H1*        G  34   6.283 -17.201   2.619
  193    H8     G  34           H8         G  34   5.382 -16.573  -0.864
  194    H1     G  34           H1         G  34  11.475 -14.940   0.373
  195   1H2     G  34           H21        G  34  11.031 -16.730   3.311
  196   2H2     G  34           H22        G  34  12.101 -15.772   2.313
  197   1H5*    A  35          1H5*        A  35   1.716 -17.117   5.594
  198   2H5*    A  35          2H5*        A  35   3.139 -17.078   4.534
  199    H4*    A  35           H4*        A  35   3.209 -17.407   7.533
  200    H3*    A  35           H3*        A  35   3.454 -14.910   5.879
  201   1H2*    A  35          1H2*        A  35   5.186 -14.150   7.353
  202   2HO*    A  35          2HO*        A  35   4.505 -16.381   9.002
  203    H1*    A  35           H1*        A  35   6.498 -16.631   7.542
  204    H8     A  35           H8         A  35   5.175 -15.762   4.067
  205   1H6     A  35           H61        A  35   9.226 -13.690   2.326
  206   2H6     A  35           H62        A  35  10.757 -13.258   3.054
  207    H2     A  35           H2         A  35  10.522 -14.420   7.385
  208   1H5*    G  36          1H5*        G  36   2.140 -11.120   6.339
  209   2H5*    G  36          2H5*        G  36   1.951 -11.624   4.649
  210    H4*    G  36           H4*        G  36   4.332 -12.304   6.366
  211    H3*    G  36           H3*        G  36   3.902  -9.879   4.661
  212   1H2*    G  36          1H2*        G  36   6.154 -10.062   3.837
  213   2HO*    G  36          2HO*        G  36   7.669 -11.160   4.885
  214    H1*    G  36           H1*        G  36   6.016 -12.766   3.267
  215    H8     G  36           H8         G  36   2.681 -12.396   2.331
  216    H1     G  36           H1         G  36   6.293  -8.657  -1.449
  217   1H2     G  36           H21        G  36   8.742  -9.113   0.966
  218   2H2     G  36           H22        G  36   8.291  -8.388  -0.561
  219   1H5*    C  37          1H5*        C  37   7.373  -8.940   5.668
  220   2H5*    C  37          2H5*        C  37   7.417  -7.502   6.706
  221    H4*    C  37           H4*        C  37   8.934  -7.154   4.924
  222    H3*    C  37           H3*        C  37   6.436  -5.501   4.674
  223   1H2*    C  37          1H2*        C  37   7.292  -4.574   2.647
  224   2HO*    C  37          2HO*        C  37   9.399  -4.143   3.116
  225    H1*    C  37           H1*        C  37   8.409  -6.988   1.669
  226   1H4     C  37           H41        C  37   2.072  -7.132  -0.156
  227   2H4     C  37           H42        C  37   2.895  -6.257  -1.428
  228    H5     C  37           H5         C  37   3.169  -7.817   1.898
  229    H6     C  37           H6         C  37   5.274  -7.808   3.132
  230   1H5*    U  38          1H5*        U  38   7.634  -0.713   4.078
  231   2H5*    U  38          2H5*        U  38   6.523  -1.951   3.459
  232    H4*    U  38           H4*        U  38   9.177  -1.249   2.211
  233    H3*    U  38           H3*        U  38   6.468  -0.092   1.643
  234   1H2*    U  38          1H2*        U  38   6.944  -0.179  -0.710
  235   2HO*    U  38          2HO*        U  38   9.591  -0.885   0.094
  236    H1*    U  38           H1*        U  38   7.973  -2.764  -0.698
  237    H3     U  38           H3         U  38   3.738  -2.696  -2.535
  238    H5     U  38           H5         U  38   3.247  -3.461   1.573
  239    H6     U  38           H6         U  38   5.580  -2.949   1.870
  240   1H5*    C  39          1H5*        C  39   7.754   4.161  -1.403
  241   2H5*    C  39          2H5*        C  39   6.281   3.226  -1.077
  242    H4*    C  39           H4*        C  39   8.435   2.690  -3.104
  243    H3*    C  39           H3*        C  39   5.541   3.444  -3.341
  244   1H2*    C  39          1H2*        C  39   5.353   2.033  -5.281
  245   2HO*    C  39          2HO*        C  39   7.374   2.437  -6.240
  246    H1*    C  39           H1*        C  39   6.594  -0.159  -4.144
  247   1H4     C  39           H41        C  39   0.808  -0.117  -1.012
  248   2H4     C  39           H42        C  39   0.395  -0.625  -2.634
  249    H5     C  39           H5         C  39   3.014   0.672  -0.400
  250    H6     C  39           H6         C  39   5.272   1.117  -1.213
  251   1H5*    U  40          1H5*        U  40   6.299   4.560  -6.987
  252   2H5*    U  40          2H5*        U  40   5.428   6.035  -7.455
  253    H4*    U  40           H4*        U  40   4.557   3.982  -8.509
  254    H3*    U  40           H3*        U  40   2.705   5.619  -6.792
  255   1H2*    U  40          1H2*        U  40   0.953   4.056  -7.299
  256   2HO*    U  40          2HO*        U  40   0.970   3.195  -9.228
  257    H1*    U  40           H1*        U  40   2.537   1.760  -6.985
  258    H3     U  40           H3         U  40  -0.580   2.135  -3.584
  259    H5     U  40           H5         U  40   2.951   3.957  -2.219
  260    H6     U  40           H6         U  40   3.813   3.798  -4.461
  261   1H5*    C  41          1H5*        C  41   0.622   4.926 -10.310
  262   2H5*    C  41          2H5*        C  41  -0.330   6.339 -10.809
  263    H4*    C  41           H4*        C  41  -1.735   4.389 -10.491
  264    H3*    C  41           H3*        C  41  -2.203   6.667  -8.578
  265   1H2*    C  41          1H2*        C  41  -4.005   5.386  -7.631
  266   2HO*    C  41          2HO*        C  41  -4.262   4.434 -10.034
  267    H1*    C  41           H1*        C  41  -2.590   2.956  -7.599
  268   1H4     C  41           H41        C  41  -0.398   6.163  -2.275
  269   2H4     C  41           H42        C  41  -1.857   5.354  -1.751
  270    H5     C  41           H5         C  41   0.313   6.228  -4.592
  271    H6     C  41           H6         C  41  -0.231   5.526  -6.862
  272   1H5*    U  42          1H5*        U  42  -5.993   5.437 -10.079
  273   2H5*    U  42          2H5*        U  42  -6.937   6.886 -10.472
  274    H4*    U  42           H4*        U  42  -8.200   5.435  -9.031
  275    H3*    U  42           H3*        U  42  -7.344   8.019  -7.737
  276   1H2*    U  42          1H2*        U  42  -8.619   7.339  -5.809
  277   2HO*    U  42          2HO*        U  42 -10.171   6.183  -7.486
  278    H1*    U  42           H1*        U  42  -7.679   4.687  -5.844
  279    H3     U  42           H3         U  42  -5.807   6.633  -2.181
  280    H5     U  42           H5         U  42  -3.373   7.797  -5.403
  281    H6     U  42           H6         U  42  -5.033   6.885  -6.889
  282   1H5*    G  43          1H5*        G  43 -11.415   7.670  -6.852
  283   2H5*    G  43          2H5*        G  43 -12.185   9.242  -7.134
  284    H4*    G  43           H4*        G  43 -12.659   8.505  -4.907
  285    H3*    G  43           H3*        G  43 -10.793  10.866  -5.033
  286   1H2*    G  43          1H2*        G  43 -10.829  10.902  -2.630
  287   2HO*    G  43          2HO*        G  43 -12.596  10.300  -1.642
  288    H1*    G  43           H1*        G  43 -10.615   8.104  -2.340
  289    H8     G  43           H8         G  43  -8.327   9.111  -5.099
  290    H1     G  43           H1         G  43  -5.952  10.329   0.751
  291   1H2     G  43           H21        G  43  -9.197   9.746   1.840
  292   2H2     G  43           H22        G  43  -7.550  10.165   2.260
  293   1H5*    G  44          1H5*        G  44 -13.907  11.793  -2.251
  294   2H5*    G  44          2H5*        G  44 -14.327  13.509  -2.411
  295    H4*    G  44           H4*        G  44 -13.709  12.891  -0.124
  296    H3*    G  44           H3*        G  44 -11.994  14.926  -1.527
  297   1H2*    G  44          1H2*        G  44 -10.663  15.095   0.445
  298   2HO*    G  44          2HO*        G  44 -12.787  13.688   1.731
  299    H1*    G  44           H1*        G  44 -10.801  12.319   1.114
  300    H8     G  44           H8         G  44  -9.941  12.686  -2.493
  301    H1     G  44           H1         G  44  -4.935  13.584   1.441
  302   1H2     G  44           H21        G  44  -7.335  13.745   3.942
  303   2H2     G  44           H22        G  44  -5.641  13.820   3.515
  304   1H5*    C  45          1H5*        C  45 -11.722  19.149   0.934
  305   2H5*    C  45          2H5*        C  45 -10.668  18.059   0.012
  306    H4*    C  45           H4*        C  45 -10.934  18.169   3.016
  307    H3*    C  45           H3*        C  45  -8.900  19.410   1.195
  308   1H2*    C  45          1H2*        C  45  -7.161  18.818   2.747
  309   2HO*    C  45          2HO*        C  45  -7.653  18.755   4.801
  310    H1*    C  45           H1*        C  45  -8.009  16.204   3.135
  311   1H4     C  45           H41        C  45  -5.410  15.984  -2.917
  312   2H4     C  45           H42        C  45  -4.015  16.101  -1.869
  313    H5     C  45           H5         C  45  -7.683  16.201  -2.112
  314    H6     C  45           H6         C  45  -9.075  16.587  -0.147
  315   1H5*    C  46          1H5*        C  46  -7.664  20.937   4.625
  316   2H5*    C  46          2H5*        C  46  -7.777  22.707   4.633
  317    H4*    C  46           H4*        C  46  -5.598  22.212   5.305
  318    H3*    C  46           H3*        C  46  -5.652  23.114   2.441
  319   1H2*    C  46          1H2*        C  46  -3.278  22.822   2.335
  320   2HO*    C  46          2HO*        C  46  -2.743  23.694   4.369
  321    H1*    C  46           H1*        C  46  -3.224  20.383   3.739
  322   1H4     C  46           H41        C  46  -4.973  18.760  -2.415
  323   2H4     C  46           H42        C  46  -3.224  18.751  -2.413
  324    H5     C  46           H5         C  46  -6.290  19.515  -0.522
  325    H6     C  46           H6         C  46  -6.186  20.406   1.748
  326    H3T    C  46           H3T        C  46  -4.938  24.931   3.346
  327   1H    ARG  47          3H        ARG  47  -0.513  -6.513   2.740
  328   2H    ARG  47          2H        ARG  47  -2.072  -7.151   2.519
  329   3H    ARG  47          1H        ARG  47  -0.767  -7.764   1.621
  330    HA   ARG  47           HA       ARG  47  -2.123  -6.318   0.250
  331   1HB   ARG  47          2HB       ARG  47  -2.272  -4.822   2.640
  332   2HB   ARG  47          1HB       ARG  47  -1.377  -3.815   1.502
  333   1HG   ARG  47          2HG       ARG  47  -3.834  -5.214   0.514
  334   2HG   ARG  47          1HG       ARG  47  -4.041  -3.795   1.543
  335   1HD   ARG  47          2HD       ARG  47  -2.419  -2.591  -0.009
  336   2HD   ARG  47          1HD       ARG  47  -2.587  -3.967  -1.102
  337    HE   ARG  47           HE       ARG  47  -4.814  -2.139  -0.327
  338   1HH1  ARG  47          1HH2      ARG  47  -6.267  -4.364  -1.066
  339   2HH1  ARG  47          2HH2      ARG  47  -6.274  -4.398  -2.796
  340   1HH2  ARG  47          1HH1      ARG  47  -3.527  -2.288  -3.104
  341   2HH2  ARG  47          2HH1      ARG  47  -4.698  -3.237  -3.956
   
  No H/Q in entry =         341
  Start of MODEL   10
    1   1H5*    G  16          1H5*        G  16   3.577  21.649  -4.956
    2   2H5*    G  16          2H5*        G  16   1.828  21.374  -4.895
    3    H4*    G  16           H4*        G  16   3.487  23.037  -3.010
    4    H3*    G  16           H3*        G  16   2.219  20.333  -2.714
    5   1H2*    G  16          1H2*        G  16   1.616  20.872  -0.453
    6   2HO*    G  16          2HO*        G  16   3.513  21.977   0.160
    7    H1*    G  16           H1*        G  16   0.641  23.416  -1.010
    8    H8     G  16           H8         G  16  -0.215  21.307  -3.965
    9    H1     G  16           H1         G  16  -4.159  20.424   1.036
   10   1H2     G  16           H21        G  16  -1.798  22.242   2.816
   11   2H2     G  16           H22        G  16  -3.324  21.386   2.833
   12    H5T    G  16           H5T        G  16   2.049  23.945  -4.902
   13   1H5*    G  17          1H5*        G  17   4.814  18.455   1.639
   14   2H5*    G  17          2H5*        G  17   3.388  17.920   0.725
   15    H4*    G  17           H4*        G  17   3.580  19.845   3.010
   16    H3*    G  17           H3*        G  17   2.067  17.299   2.543
   17   1H2*    G  17          1H2*        G  17   0.241  18.152   3.860
   18   2HO*    G  17          2HO*        G  17   0.449  19.858   5.190
   19    H1*    G  17           H1*        G  17   0.141  20.623   2.619
   20    H8     G  17           H8         G  17   1.107  18.806  -0.316
   21    H1     G  17           H1         G  17  -4.780  17.058   1.591
   22   1H2     G  17           H21        G  17  -3.924  18.601   4.580
   23   2H2     G  17           H22        G  17  -5.128  17.723   3.663
   24   1H5*    C  18          1H5*        C  18   1.076  17.961   6.317
   25   2H5*    C  18          2H5*        C  18   1.640  16.607   7.315
   26    H4*    C  18           H4*        C  18  -0.680  17.002   7.746
   27    H3*    C  18           H3*        C  18  -0.110  14.438   6.279
   28   1H2*    C  18          1H2*        C  18  -2.453  13.962   6.303
   29   2HO*    C  18          2HO*        C  18  -3.250  14.462   8.237
   30    H1*    C  18           H1*        C  18  -3.284  16.628   5.789
   31   1H4     C  18           H41        C  18  -2.019  13.918  -0.102
   32   2H4     C  18           H42        C  18  -3.720  13.636   0.194
   33    H5     C  18           H5         C  18  -0.539  14.901   1.550
   34    H6     C  18           H6         C  18  -0.397  15.803   3.813
   35   1H5*    C  19          1H5*        C  19  -2.005  10.568   8.758
   36   2H5*    C  19          2H5*        C  19  -1.901  11.185   7.096
   37    H4*    C  19           H4*        C  19  -4.249  11.479   8.968
   38    H3*    C  19           H3*        C  19  -3.760   9.519   6.746
   39   1H2*    C  19          1H2*        C  19  -6.069   9.731   6.093
   40   2HO*    C  19          2HO*        C  19  -7.582  10.628   7.380
   41    H1*    C  19           H1*        C  19  -6.110  12.502   6.162
   42   1H4     C  19           H41        C  19  -2.569  11.169   0.753
   43   2H4     C  19           H42        C  19  -4.224  10.883   0.268
   44    H5     C  19           H5         C  19  -1.931  11.652   3.042
   45    H6     C  19           H6         C  19  -2.753  11.947   5.320
   46   1H5*    A  20          1H5*        A  20  -7.233   8.095   8.214
   47   2H5*    A  20          2H5*        A  20  -7.143   6.341   8.465
   48    H4*    A  20           H4*        A  20  -8.964   6.916   6.982
   49    H3*    A  20           H3*        A  20  -6.717   5.342   5.746
   50   1H2*    A  20          1H2*        A  20  -7.946   5.326   3.688
   51   2HO*    A  20          2HO*        A  20 -10.061   5.342   3.728
   52    H1*    A  20           H1*        A  20  -8.762   8.020   3.844
   53    H8     A  20           H8         A  20  -5.290   8.297   4.893
   54   1H6     A  20           H61        A  20  -3.047   8.084   0.575
   55   2H6     A  20           H62        A  20  -3.573   7.606  -1.024
   56    H2     A  20           H2         A  20  -7.881   6.388  -0.673
   57   1H5*    G  21          1H5*        G  21 -10.292   3.434   4.641
   58   2H5*    G  21          2H5*        G  21 -10.076   1.674   4.619
   59    H4*    G  21           H4*        G  21 -10.833   2.609   2.468
   60    H3*    G  21           H3*        G  21  -8.218   1.122   2.543
   61   1H2*    G  21          1H2*        G  21  -8.046   1.453   0.169
   62   2HO*    G  21          2HO*        G  21 -10.027   1.189  -0.678
   63    H1*    G  21           H1*        G  21  -8.855   4.144   0.230
   64    H8     G  21           H8         G  21  -6.680   3.659   3.195
   65    H1     G  21           H1         G  21  -3.388   4.091  -2.310
   66   1H2     G  21           H21        G  21  -6.480   3.641  -3.820
   67   2H2     G  21           H22        G  21  -4.758   3.875  -4.022
   68   1H5*    A  22          1H5*        A  22  -8.765  -2.588  -1.047
   69   2H5*    A  22          2H5*        A  22  -7.402  -1.673  -0.376
   70    H4*    A  22           H4*        A  22  -9.080  -0.884  -2.752
   71    H3*    A  22           H3*        A  22  -6.396  -2.217  -2.589
   72   1H2*    A  22          1H2*        A  22  -5.584  -0.872  -4.391
   73   2HO*    A  22          2HO*        A  22  -6.888   0.226  -5.741
   74    H1*    A  22           H1*        A  22  -6.602   1.529  -3.427
   75    H8     A  22           H8         A  22  -5.776   0.247  -0.202
   76   1H6     A  22           H61        A  22  -0.938   0.712  -0.159
   77   2H6     A  22           H62        A  22   0.255   0.952  -1.416
   78    H2     A  22           H2         A  22  -1.976   1.174  -5.306
   79   1H5*    U  23          1H5*        U  23  -8.825  -5.560  -6.246
   80   2H5*    U  23          2H5*        U  23  -7.830  -4.871  -4.948
   81    H4*    U  23           H4*        U  23  -8.164  -2.985  -7.100
   82    H3*    U  23           H3*        U  23  -8.174  -5.363  -8.351
   83   1H2*    U  23          1H2*        U  23  -6.179  -6.257  -7.312
   84   2HO*    U  23          2HO*        U  23  -4.744  -6.321  -8.932
   85    H1*    U  23           H1*        U  23  -4.855  -3.519  -7.676
   86    H3     U  23           H3         U  23  -1.202  -5.833  -6.190
   87    H5     U  23           H5         U  23  -3.893  -5.819  -2.960
   88    H6     U  23           H6         U  23  -5.550  -4.891  -4.440
   89   1H5*    U  25          1H5*        U  25 -10.435  -1.005  -8.117
   90   2H5*    U  25          2H5*        U  25 -10.480  -1.107  -9.889
   91    H4*    U  25           H4*        U  25  -9.067   0.766 -10.129
   92    H3*    U  25           H3*        U  25  -7.771   0.204  -7.794
   93   1H2*    U  25          1H2*        U  25  -9.529   1.017  -6.344
   94   2HO*    U  25          2HO*        U  25  -8.960   3.257  -5.861
   95    H1*    U  25           H1*        U  25  -9.882   3.256  -8.413
   96    H3     U  25           H3         U  25 -13.477   5.260  -6.684
   97    H5     U  25           H5         U  25 -13.495   1.534  -4.736
   98    H6     U  25           H6         U  25 -11.561   0.925  -6.036
   99   1H5*    G  26          1H5*        G  26  -6.068  -1.918 -10.490
  100   2H5*    G  26          2H5*        G  26  -5.367  -1.326  -8.973
  101    H4*    G  26           H4*        G  26  -4.399  -0.650 -11.749
  102    H3*    G  26           H3*        G  26  -3.450  -2.764  -9.845
  103   1H2*    G  26          1H2*        G  26  -1.170  -2.234 -10.404
  104   2HO*    G  26          2HO*        G  26  -1.232  -1.843 -12.581
  105    H1*    G  26           H1*        G  26  -1.452   0.504 -10.174
  106    H8     G  26           H8         G  26  -3.783  -0.998  -7.665
  107    H1     G  26           H1         G  26   2.351  -0.887  -5.758
  108   1H2     G  26           H21        G  26   3.036  -0.075  -9.061
  109   2H2     G  26           H22        G  26   3.661  -0.385  -7.457
  110   1H5*    A  27          1H5*        A  27  -0.394  -5.915 -12.430
  111   2H5*    A  27          2H5*        A  27  -0.626  -5.532 -10.713
  112    H4*    A  27           H4*        A  27   1.304  -4.283 -12.655
  113    H3*    A  27           H3*        A  27   1.676  -6.101 -10.302
  114   1H2*    A  27          1H2*        A  27   3.667  -4.908  -9.685
  115   2HO*    A  27          2HO*        A  27   4.512  -4.550 -11.775
  116    H1*    A  27           H1*        A  27   2.579  -2.371  -9.967
  117    H8     A  27           H8         A  27  -0.364  -4.176  -8.774
  118   1H6     A  27           H61        A  27   0.574  -4.343  -4.008
  119   2H6     A  27           H62        A  27   2.006  -4.025  -3.055
  120    H2     A  27           H2         A  27   5.252  -2.848  -5.925
  121   1H5*    G  28          1H5*        G  28   6.260  -8.536 -11.193
  122   2H5*    G  28          2H5*        G  28   5.156  -8.717  -9.816
  123    H4*    G  28           H4*        G  28   7.557  -7.015 -10.143
  124    H3*    G  28           H3*        G  28   6.426  -8.715  -7.945
  125   1H2*    G  28          1H2*        G  28   7.483  -7.297  -6.316
  126   2HO*    G  28          2HO*        G  28   8.640  -5.837  -8.475
  127    H1*    G  28           H1*        G  28   6.655  -4.909  -7.452
  128    H8     G  28           H8         G  28   3.640  -6.517  -8.305
  129    H1     G  28           H1         G  28   4.287  -6.464  -1.908
  130   1H2     G  28           H21        G  28   7.628  -5.796  -2.568
  131   2H2     G  28           H22        G  28   6.386  -6.072  -1.366
  132   1H5*    C  29          1H5*        C  29   8.997 -13.128  -8.180
  133   2H5*    C  29          2H5*        C  29   7.744 -12.004  -7.620
  134    H4*    C  29           H4*        C  29  10.640 -12.013  -6.781
  135    H3*    C  29           H3*        C  29   8.218 -13.159  -5.438
  136   1H2*    C  29          1H2*        C  29   9.031 -12.371  -3.323
  137   2HO*    C  29          2HO*        C  29  11.411 -11.843  -4.784
  138    H1*    C  29           H1*        C  29   9.678  -9.816  -4.198
  139   1H4     C  29           H41        C  29   3.217  -9.048  -4.033
  140   2H4     C  29           H42        C  29   3.501  -9.635  -2.412
  141    H5     C  29           H5         C  29   4.889  -9.109  -5.777
  142    H6     C  29           H6         C  29   7.206  -9.664  -6.288
  143   1H5*    C  30          1H5*        C  30   9.655 -15.279  -1.479
  144   2H5*    C  30          2H5*        C  30   9.141 -13.633  -1.888
  145    H4*    C  30           H4*        C  30  11.860 -14.327  -0.799
  146    H3*    C  30           H3*        C  30   9.667 -14.598   0.799
  147   1H2*    C  30          1H2*        C  30   8.916 -12.305   0.575
  148   2HO*    C  30          2HO*        C  30   9.333 -11.419   2.517
  149    H1*    C  30           H1*        C  30  11.877 -11.548   0.717
  150   1H4     C  30           H41        C  30   8.886  -6.155  -1.671
  151   2H4     C  30           H42        C  30   9.287  -5.751  -0.016
  152    H5     C  30           H5         C  30   9.128  -8.395  -2.577
  153    H6     C  30           H6         C  30  10.056 -10.617  -2.147
  154   1H5*    U  31          1H5*        U  31  14.437 -14.592   4.024
  155   2H5*    U  31          2H5*        U  31  13.308 -13.516   3.177
  156    H4*    U  31           H4*        U  31  14.121 -15.825   1.592
  157    H3*    U  31           H3*        U  31  16.312 -15.004   2.964
  158   1H2*    U  31          1H2*        U  31  16.238 -12.692   2.260
  159   2HO*    U  31          2HO*        U  31  17.596 -14.106   0.187
  160    H1*    U  31           H1*        U  31  15.450 -13.700  -0.526
  161    H3     U  31           H3         U  31  15.625  -9.476  -2.053
  162    H5     U  31           H5         U  31  13.314  -9.148   1.443
  163    H6     U  31           H6         U  31  13.729 -11.486   1.850
  164   1H5*    G  32          1H5*        G  32  16.236 -16.530   4.725
  165   2H5*    G  32          2H5*        G  32  17.221 -17.964   4.370
  166    H4*    G  32           H4*        G  32  14.344 -17.823   5.225
  167    H3*    G  32           H3*        G  32  16.324 -18.009   6.956
  168   1H2*    G  32          1H2*        G  32  17.556 -19.784   5.856
  169   2HO*    G  32          2HO*        G  32  16.968 -21.753   7.015
  170    H1*    G  32           H1*        G  32  14.974 -21.364   5.466
  171    H8     G  32           H8         G  32  17.147 -19.902   2.717
  172    H1     G  32           H1         G  32  17.924 -26.210   3.699
  173   1H2     G  32           H21        G  32  15.932 -25.699   6.496
  174   2H2     G  32           H22        G  32  16.847 -26.825   5.520
  175   1H5*    G  33          1H5*        G  33  10.870 -17.934   7.484
  176   2H5*    G  33          2H5*        G  33  11.963 -19.179   6.843
  177    H4*    G  33           H4*        G  33  11.252 -16.697   5.309
  178    H3*    G  33           H3*        G  33   9.211 -18.347   5.866
  179   1H2*    G  33          1H2*        G  33  10.263 -20.389   5.095
  180   2HO*    G  33          2HO*        G  33   8.320 -20.005   3.837
  181    H1*    G  33           H1*        G  33  11.312 -18.832   2.674
  182    H8     G  33           H8         G  33  11.927 -21.675   5.197
  183    H1     G  33           H1         G  33  15.336 -21.973  -0.249
  184   1H2     G  33           H21        G  33  13.946 -18.862  -0.916
  185   2H2     G  33           H22        G  33  15.006 -20.151  -1.444
  186   1H5*    G  34          1H5*        G  34   7.116 -14.178   5.082
  187   2H5*    G  34          2H5*        G  34   6.556 -15.726   5.742
  188    H4*    G  34           H4*        G  34   4.685 -14.299   5.272
  189    H3*    G  34           H3*        G  34   4.611 -16.881   4.543
  190   1H2*    G  34          1H2*        G  34   5.440 -16.550   2.279
  191   2HO*    G  34          2HO*        G  34   2.621 -16.132   2.093
  192    H1*    G  34           H1*        G  34   3.584 -14.125   2.065
  193    H8     G  34           H8         G  34   7.345 -14.215   1.685
  194    H1     G  34           H1         G  34   4.117 -13.666  -3.847
  195   1H2     G  34           H21        G  34   1.312 -14.296  -1.902
  196   2H2     G  34           H22        G  34   1.963 -13.968  -3.492
  197   1H5*    A  35          1H5*        A  35   0.388 -14.680   7.324
  198   2H5*    A  35          2H5*        A  35  -0.981 -15.179   6.315
  199    H4*    A  35           H4*        A  35   0.931 -12.991   5.980
  200    H3*    A  35           H3*        A  35  -1.931 -13.481   5.307
  201   1H2*    A  35          1H2*        A  35  -1.841 -11.987   3.425
  202   2HO*    A  35          2HO*        A  35  -0.226 -10.600   3.083
  203    H1*    A  35           H1*        A  35   0.355 -13.157   2.303
  204    H8     A  35           H8         A  35  -0.252 -16.300   3.446
  205   1H6     A  35           H61        A  35  -4.429 -17.633   1.337
  206   2H6     A  35           H62        A  35  -5.714 -16.743   0.552
  207    H2     A  35           H2         A  35  -4.576 -12.399   0.709
  208   1H5*    G  36          1H5*        G  36   1.875 -12.178   7.634
  209   2H5*    G  36          2H5*        G  36   1.792 -10.471   8.108
  210    H4*    G  36           H4*        G  36   4.065 -11.027   7.730
  211    H3*    G  36           H3*        G  36   2.923  -9.270   5.569
  212   1H2*    G  36          1H2*        G  36   5.090  -9.252   4.548
  213   2HO*    G  36          2HO*        G  36   6.909  -9.744   5.629
  214    H1*    G  36           H1*        G  36   5.601 -11.995   4.963
  215    H8     G  36           H8         G  36   2.137 -12.046   3.899
  216    H1     G  36           H1         G  36   6.092 -10.631  -0.954
  217   1H2     G  36           H21        G  36   8.470 -10.185   1.506
  218   2H2     G  36           H22        G  36   8.089 -10.204  -0.206
  219   1H5*    C  37          1H5*        C  37   6.607  -7.627   6.570
  220   2H5*    C  37          2H5*        C  37   6.525  -5.857   6.502
  221    H4*    C  37           H4*        C  37   8.204  -6.890   4.986
  222    H3*    C  37           H3*        C  37   6.068  -5.105   3.842
  223   1H2*    C  37          1H2*        C  37   7.066  -5.409   1.685
  224   2HO*    C  37          2HO*        C  37   9.290  -5.557   3.036
  225    H1*    C  37           H1*        C  37   7.606  -8.171   2.029
  226   1H4     C  37           H41        C  37   1.333  -7.691  -0.018
  227   2H4     C  37           H42        C  37   2.293  -7.864  -1.468
  228    H5     C  37           H5         C  37   2.311  -7.485   2.196
  229    H6     C  37           H6         C  37   4.405  -7.368   3.444
  230   1H5*    U  38          1H5*        U  38   9.738  -3.833   2.169
  231   2H5*    U  38          2H5*        U  38   9.924  -2.115   2.572
  232    H4*    U  38           H4*        U  38  10.425  -2.397   0.268
  233    H3*    U  38           H3*        U  38   7.798  -1.012   0.750
  234   1H2*    U  38          1H2*        U  38   7.524  -0.820  -1.620
  235   2HO*    U  38          2HO*        U  38  10.257  -1.624  -1.738
  236    H1*    U  38           H1*        U  38   8.444  -3.419  -2.216
  237    H3     U  38           H3         U  38   3.994  -3.318  -3.216
  238    H5     U  38           H5         U  38   4.189  -4.035   0.922
  239    H6     U  38           H6         U  38   6.551  -3.582   0.814
  240   1H5*    C  39          1H5*        C  39   8.754   3.554  -2.189
  241   2H5*    C  39          2H5*        C  39   7.353   2.624  -1.622
  242    H4*    C  39           H4*        C  39   9.036   2.134  -4.070
  243    H3*    C  39           H3*        C  39   6.227   3.126  -3.714
  244   1H2*    C  39          1H2*        C  39   5.558   1.873  -5.653
  245   2HO*    C  39          2HO*        C  39   6.972   1.141  -7.122
  246    H1*    C  39           H1*        C  39   6.869  -0.472  -4.948
  247   1H4     C  39           H41        C  39   1.650  -0.497  -0.941
  248   2H4     C  39           H42        C  39   0.987  -0.902  -2.509
  249    H5     C  39           H5         C  39   3.947   0.230  -0.632
  250    H6     C  39           H6         C  39   6.065   0.681  -1.759
  251   1H5*    U  40          1H5*        U  40   6.769   5.141  -7.371
  252   2H5*    U  40          2H5*        U  40   5.688   6.547  -7.395
  253    H4*    U  40           H4*        U  40   4.946   4.535  -8.710
  254    H3*    U  40           H3*        U  40   3.132   5.797  -6.664
  255   1H2*    U  40          1H2*        U  40   1.456   4.184  -7.288
  256   2HO*    U  40          2HO*        U  40   3.213   3.193  -9.291
  257    H1*    U  40           H1*        U  40   3.210   2.002  -7.311
  258    H3     U  40           H3         U  40   0.311   1.822  -3.704
  259    H5     U  40           H5         U  40   3.802   3.744  -2.375
  260    H6     U  40           H6         U  40   4.523   3.860  -4.666
  261   1H5*    C  41          1H5*        C  41   0.637   5.511 -10.045
  262   2H5*    C  41          2H5*        C  41  -0.472   6.897 -10.049
  263    H4*    C  41           H4*        C  41  -1.543   4.647  -9.870
  264    H3*    C  41           H3*        C  41  -2.073   6.728  -7.762
  265   1H2*    C  41          1H2*        C  41  -3.613   5.217  -6.729
  266   2HO*    C  41          2HO*        C  41  -4.723   4.120  -8.211
  267    H1*    C  41           H1*        C  41  -1.927   2.974  -7.020
  268   1H4     C  41           H41        C  41   0.468   5.860  -1.641
  269   2H4     C  41           H42        C  41  -1.029   5.137  -1.095
  270    H5     C  41           H5         C  41   1.096   5.983  -3.983
  271    H6     C  41           H6         C  41   0.425   5.411  -6.257
  272   1H5*    U  42          1H5*        U  42  -6.975   6.609 -10.078
  273   2H5*    U  42          2H5*        U  42  -5.808   7.118  -8.841
  274    H4*    U  42           H4*        U  42  -7.933   4.994  -8.610
  275    H3*    U  42           H3*        U  42  -7.713   7.756  -7.462
  276   1H2*    U  42          1H2*        U  42  -8.642   6.980  -5.398
  277   2HO*    U  42          2HO*        U  42  -9.214   4.581  -6.831
  278    H1*    U  42           H1*        U  42  -7.161   4.612  -5.264
  279    H3     U  42           H3         U  42  -5.654   7.558  -2.076
  280    H5     U  42           H5         U  42  -3.378   8.292  -5.532
  281    H6     U  42           H6         U  42  -4.916   6.897  -6.752
  282   1H5*    G  43          1H5*        G  43 -11.476   6.468  -6.097
  283   2H5*    G  43          2H5*        G  43 -12.623   7.757  -6.509
  284    H4*    G  43           H4*        G  43 -12.776   7.277  -4.174
  285    H3*    G  43           H3*        G  43 -11.550   9.950  -4.802
  286   1H2*    G  43          1H2*        G  43 -11.344  10.356  -2.456
  287   2HO*    G  43          2HO*        G  43 -13.233   9.702  -1.579
  288    H1*    G  43           H1*        G  43 -10.590   7.702  -1.776
  289    H8     G  43           H8         G  43  -8.770   8.956  -4.824
  290    H1     G  43           H1         G  43  -6.133  10.761   0.756
  291   1H2     G  43           H21        G  43  -9.071   9.573   2.168
  292   2H2     G  43           H22        G  43  -7.509  10.319   2.417
  293   1H5*    G  44          1H5*        G  44 -13.894  13.505  -2.315
  294   2H5*    G  44          2H5*        G  44 -12.290  12.799  -2.600
  295    H4*    G  44           H4*        G  44 -13.982  12.174  -0.190
  296    H3*    G  44           H3*        G  44 -12.083  14.467  -0.545
  297   1H2*    G  44          1H2*        G  44 -11.206  14.068   1.661
  298   2HO*    G  44          2HO*        G  44 -12.348  13.055   3.149
  299    H1*    G  44           H1*        G  44 -10.912  11.330   1.350
  300    H8     G  44           H8         G  44 -10.115  12.136  -2.044
  301    H1     G  44           H1         G  44  -5.607  14.433   1.925
  302   1H2     G  44           H21        G  44  -7.974  13.911   4.409
  303   2H2     G  44           H22        G  44  -6.367  14.462   3.993
  304   1H5*    C  45          1H5*        C  45 -13.084  15.036   3.213
  305   2H5*    C  45          2H5*        C  45 -13.920  16.591   3.390
  306    H4*    C  45           H4*        C  45 -12.205  16.513   5.013
  307    H3*    C  45           H3*        C  45 -11.559  18.374   2.741
  308   1H2*    C  45          1H2*        C  45  -9.497  18.912   3.834
  309   2HO*    C  45          2HO*        C  45  -9.573  19.010   5.945
  310    H1*    C  45           H1*        C  45  -8.904  16.266   4.619
  311   1H4     C  45           H41        C  45  -6.935  16.703  -1.667
  312   2H4     C  45           H42        C  45  -5.572  17.254  -0.718
  313    H5     C  45           H5         C  45  -9.094  16.188  -0.695
  314    H6     C  45           H6         C  45 -10.384  16.121   1.374
  315   1H5*    C  46          1H5*        C  46 -10.973  20.564   6.257
  316   2H5*    C  46          2H5*        C  46 -11.451  22.263   6.077
  317    H4*    C  46           H4*        C  46  -9.134  22.093   6.716
  318    H3*    C  46           H3*        C  46  -9.637  23.187   3.964
  319   1H2*    C  46          1H2*        C  46  -7.274  23.444   3.684
  320   2HO*    C  46          2HO*        C  46  -6.755  24.282   5.719
  321    H1*    C  46           H1*        C  46  -6.574  20.992   4.908
  322   1H4     C  46           H41        C  46  -8.222  19.708  -1.382
  323   2H4     C  46           H42        C  46  -6.487  19.513  -1.258
  324    H5     C  46           H5         C  46  -9.599  20.456   0.471
  325    H6     C  46           H6         C  46  -9.580  21.184   2.802
  326    H3T    C  46           H3T        C  46 -10.238  24.497   5.545
  327   1H    ARG  47          3H        ARG  47  -2.207  -5.817   2.962
  328   2H    ARG  47          2H        ARG  47  -3.249  -6.410   1.758
  329   3H    ARG  47          1H        ARG  47  -1.721  -7.116   1.984
  330    HA   ARG  47           HA       ARG  47  -1.716  -5.697   0.033
  331   1HB   ARG  47          2HB       ARG  47  -2.931  -3.835   2.011
  332   2HB   ARG  47          1HB       ARG  47  -1.791  -3.126   0.867
  333   1HG   ARG  47          2HG       ARG  47  -3.270  -4.713  -0.797
  334   2HG   ARG  47          1HG       ARG  47  -4.487  -4.250   0.393
  335   1HD   ARG  47          2HD       ARG  47  -4.499  -2.588  -1.362
  336   2HD   ARG  47          1HD       ARG  47  -3.787  -1.855   0.073
  337    HE   ARG  47           HE       ARG  47  -1.668  -1.828  -1.031
  338   1HH1  ARG  47          1HH1      ARG  47  -0.530  -3.571  -2.454
  339   2HH1  ARG  47          2HH1      ARG  47  -1.160  -3.613  -4.067
  340   1HH2  ARG  47          1HH2      ARG  47  -4.044  -1.850  -3.273
  341   2HH2  ARG  47          2HH2      ARG  47  -3.158  -2.648  -4.529
   
  No H/Q in entry =         341
  Start of MODEL   11
    1   1H5*    G  16          1H5*        G  16   5.350  22.597  -4.246
    2   2H5*    G  16          2H5*        G  16   5.265  20.893  -3.773
    3    H4*    G  16           H4*        G  16   5.002  22.694  -1.975
    4    H3*    G  16           H3*        G  16   3.173  20.322  -2.236
    5   1H2*    G  16          1H2*        G  16   2.044  21.079  -0.240
    6   2HO*    G  16          2HO*        G  16   3.278  22.156   1.134
    7    H1*    G  16           H1*        G  16   1.697  23.633  -1.215
    8    H8     G  16           H8         G  16   1.703  21.513  -4.255
    9    H1     G  16           H1         G  16  -3.785  21.108  -0.932
   10   1H2     G  16           H21        G  16  -2.014  22.728   1.574
   11   2H2     G  16           H22        G  16  -3.527  22.017   1.057
   12    H5T    G  16           H5T        G  16   3.275  22.477  -5.027
   13   1H5*    G  17          1H5*        G  17   4.416  18.766   2.026
   14   2H5*    G  17          2H5*        G  17   3.359  19.296   0.703
   15    H4*    G  17           H4*        G  17   3.088  20.448   3.458
   16    H3*    G  17           H3*        G  17   2.068  17.752   2.609
   17   1H2*    G  17          1H2*        G  17   0.001  18.220   3.744
   18   2HO*    G  17          2HO*        G  17  -0.134  19.665   5.321
   19    H1*    G  17           H1*        G  17  -0.257  20.829   2.772
   20    H8     G  17           H8         G  17   1.025  19.343  -0.238
   21    H1     G  17           H1         G  17  -4.840  17.070   1.097
   22   1H2     G  17           H21        G  17  -4.293  18.396   4.258
   23   2H2     G  17           H22        G  17  -5.369  17.528   3.187
   24   1H5*    C  18          1H5*        C  18   0.867  18.167   6.525
   25   2H5*    C  18          2H5*        C  18   1.518  16.813   7.468
   26    H4*    C  18           H4*        C  18  -0.811  17.061   7.944
   27    H3*    C  18           H3*        C  18  -0.132  14.593   6.363
   28   1H2*    C  18          1H2*        C  18  -2.443  13.994   6.407
   29   2HO*    C  18          2HO*        C  18  -2.874  16.126   8.250
   30    H1*    C  18           H1*        C  18  -3.423  16.642   6.054
   31   1H4     C  18           H41        C  18  -2.286  14.287  -0.011
   32   2H4     C  18           H42        C  18  -3.965  13.935   0.328
   33    H5     C  18           H5         C  18  -0.775  15.223   1.641
   34    H6     C  18           H6         C  18  -0.577  16.011   3.942
   35   1H5*    C  19          1H5*        C  19  -2.098  10.642   9.034
   36   2H5*    C  19          2H5*        C  19  -1.922  11.234   7.370
   37    H4*    C  19           H4*        C  19  -4.268  11.718   9.204
   38    H3*    C  19           H3*        C  19  -3.897   9.722   6.993
   39   1H2*    C  19          1H2*        C  19  -6.172  10.111   6.300
   40   2HO*    C  19          2HO*        C  19  -6.415  11.830   8.567
   41    H1*    C  19           H1*        C  19  -6.000  12.877   6.367
   42   1H4     C  19           H41        C  19  -2.482  11.303   1.014
   43   2H4     C  19           H42        C  19  -4.147  11.157   0.497
   44    H5     C  19           H5         C  19  -1.848  11.703   3.318
   45    H6     C  19           H6         C  19  -2.681  12.041   5.585
   46   1H5*    A  20          1H5*        A  20  -7.452   8.691   8.149
   47   2H5*    A  20          2H5*        A  20  -7.543   6.978   8.608
   48    H4*    A  20           H4*        A  20  -9.204   7.411   6.964
   49    H3*    A  20           H3*        A  20  -6.908   5.761   5.937
   50   1H2*    A  20          1H2*        A  20  -8.021   5.639   3.816
   51   2HO*    A  20          2HO*        A  20 -10.140   5.921   3.607
   52    H1*    A  20           H1*        A  20  -8.784   8.344   3.759
   53    H8     A  20           H8         A  20  -5.426   8.714   5.052
   54   1H6     A  20           H61        A  20  -2.811   8.124   0.990
   55   2H6     A  20           H62        A  20  -3.191   7.494  -0.598
   56    H2     A  20           H2         A  20  -7.520   6.300  -0.528
   57   1H5*    G  21          1H5*        G  21 -10.286   3.809   4.691
   58   2H5*    G  21          2H5*        G  21 -10.137   2.047   4.845
   59    H4*    G  21           H4*        G  21 -10.627   2.738   2.558
   60    H3*    G  21           H3*        G  21  -7.988   1.367   3.027
   61   1H2*    G  21          1H2*        G  21  -7.596   1.494   0.658
   62   2HO*    G  21          2HO*        G  21  -9.561   1.036  -0.239
   63    H1*    G  21           H1*        G  21  -8.486   4.149   0.402
   64    H8     G  21           H8         G  21  -6.590   3.996   3.589
   65    H1     G  21           H1         G  21  -2.801   4.094  -1.607
   66   1H2     G  21           H21        G  21  -5.721   3.432  -3.355
   67   2H2     G  21           H22        G  21  -3.994   3.705  -3.412
   68   1H5*    A  22          1H5*        A  22  -8.699  -2.476  -0.852
   69   2H5*    A  22          2H5*        A  22  -7.338  -1.618  -0.104
   70    H4*    A  22           H4*        A  22  -9.086  -0.549  -2.317
   71    H3*    A  22           H3*        A  22  -6.452  -1.973  -2.478
   72   1H2*    A  22          1H2*        A  22  -5.735  -0.424  -4.176
   73   2HO*    A  22          2HO*        A  22  -8.371   0.670  -4.047
   74    H1*    A  22           H1*        A  22  -6.525   1.848  -2.816
   75    H8     A  22           H8         A  22  -5.611   0.147   0.169
   76   1H6     A  22           H61        A  22  -0.756   0.369  -0.022
   77   2H6     A  22           H62        A  22   0.380   0.690  -1.314
   78    H2     A  22           H2         A  22  -2.037   1.358  -5.036
   79   1H5*    U  23          1H5*        U  23  -9.252  -2.982  -5.698
   80   2H5*    U  23          2H5*        U  23  -9.445  -4.594  -6.412
   81    H4*    U  23           H4*        U  23  -7.921  -2.615  -7.433
   82    H3*    U  23           H3*        U  23  -8.469  -5.135  -8.294
   83   1H2*    U  23          1H2*        U  23  -6.711  -6.222  -7.029
   84   2HO*    U  23          2HO*        U  23  -4.916  -6.452  -8.512
   85    H1*    U  23           H1*        U  23  -4.944  -3.824  -7.773
   86    H3     U  23           H3         U  23  -1.505  -6.243  -6.050
   87    H5     U  23           H5         U  23  -4.211  -5.816  -2.858
   88    H6     U  23           H6         U  23  -5.788  -4.885  -4.420
   89   1H5*    U  25          1H5*        U  25 -10.493  -1.067  -9.212
   90   2H5*    U  25          2H5*        U  25  -9.744  -0.743 -10.790
   91    H4*    U  25           H4*        U  25  -8.273   0.885  -9.799
   92    H3*    U  25           H3*        U  25  -8.525  -0.280  -7.340
   93   1H2*    U  25          1H2*        U  25 -10.766   0.520  -6.920
   94   2HO*    U  25          2HO*        U  25 -10.546   2.429  -5.640
   95    H1*    U  25           H1*        U  25  -9.866   3.117  -8.282
   96    H3     U  25           H3         U  25 -13.759   5.247  -7.769
   97    H5     U  25           H5         U  25 -14.966   1.248  -8.264
   98    H6     U  25           H6         U  25 -12.639   0.639  -8.393
   99   1H5*    G  26          1H5*        G  26  -6.356  -1.157 -10.353
  100   2H5*    G  26          2H5*        G  26  -5.516  -1.434  -8.816
  101    H4*    G  26           H4*        G  26  -4.477  -0.424 -11.420
  102    H3*    G  26           H3*        G  26  -3.654  -2.589  -9.518
  103   1H2*    G  26          1H2*        G  26  -1.352  -2.234 -10.111
  104   2HO*    G  26          2HO*        G  26  -0.935  -1.596 -12.084
  105    H1*    G  26           H1*        G  26  -1.418   0.519  -9.912
  106    H8     G  26           H8         G  26  -3.823  -0.745  -7.356
  107    H1     G  26           H1         G  26   2.317  -1.105  -5.510
  108   1H2     G  26           H21        G  26   3.031  -0.444  -8.842
  109   2H2     G  26           H22        G  26   3.646  -0.768  -7.237
  110   1H5*    A  27          1H5*        A  27  -1.085  -6.138 -11.403
  111   2H5*    A  27          2H5*        A  27  -1.236  -5.270  -9.862
  112    H4*    A  27           H4*        A  27   0.799  -4.720 -12.017
  113    H3*    A  27           H3*        A  27   1.015  -6.288  -9.467
  114   1H2*    A  27          1H2*        A  27   3.241  -5.418  -9.138
  115   2HO*    A  27          2HO*        A  27   4.285  -5.026 -10.965
  116    H1*    A  27           H1*        A  27   2.473  -2.800  -9.490
  117    H8     A  27           H8         A  27  -0.654  -4.120  -8.134
  118   1H6     A  27           H61        A  27   0.451  -4.367  -3.401
  119   2H6     A  27           H62        A  27   1.948  -4.212  -2.511
  120    H2     A  27           H2         A  27   5.193  -3.478  -5.526
  121   1H5*    G  28          1H5*        G  28   4.873  -8.753 -11.788
  122   2H5*    G  28          2H5*        G  28   3.889  -8.157 -10.438
  123    H4*    G  28           H4*        G  28   6.695  -7.301 -11.137
  124    H3*    G  28           H3*        G  28   5.683  -9.225  -9.070
  125   1H2*    G  28          1H2*        G  28   7.273  -8.365  -7.492
  126   2HO*    G  28          2HO*        G  28   8.340  -6.832  -9.652
  127    H1*    G  28           H1*        G  28   6.819  -5.674  -8.047
  128    H8     G  28           H8         G  28   3.521  -7.390  -8.383
  129    H1     G  28           H1         G  28   5.199  -6.227  -2.287
  130   1H2     G  28           H21        G  28   8.333  -5.538  -3.612
  131   2H2     G  28           H22        G  28   7.324  -5.649  -2.188
  132   1H5*    C  29          1H5*        C  29  10.179 -12.013  -7.933
  133   2H5*    C  29          2H5*        C  29   8.547 -12.130  -7.246
  134    H4*    C  29           H4*        C  29  10.901 -10.582  -6.355
  135    H3*    C  29           H3*        C  29   8.724 -12.135  -4.998
  136   1H2*    C  29          1H2*        C  29   8.952 -10.739  -3.050
  137   2HO*    C  29          2HO*        C  29  10.800  -9.790  -2.634
  138    H1*    C  29           H1*        C  29   8.931  -8.341  -4.430
  139   1H4     C  29           H41        C  29   2.666 -10.335  -4.918
  140   2H4     C  29           H42        C  29   2.798  -9.721  -3.286
  141    H5     C  29           H5         C  29   4.574 -10.579  -6.391
  142    H6     C  29           H6         C  29   6.989 -10.310  -6.588
  143   1H5*    C  30          1H5*        C  30  11.028 -11.652  -1.937
  144   2H5*    C  30          2H5*        C  30  11.706 -13.207  -1.418
  145    H4*    C  30           H4*        C  30  10.701 -11.825   0.391
  146    H3*    C  30           H3*        C  30  10.712 -14.519   0.319
  147   1H2*    C  30          1H2*        C  30   8.544 -14.797  -0.720
  148   2HO*    C  30          2HO*        C  30   7.225 -15.520   0.885
  149    H1*    C  30           H1*        C  30   7.514 -12.546   1.085
  150   1H4     C  30           H41        C  30   3.285 -12.883  -3.983
  151   2H4     C  30           H42        C  30   2.378 -13.373  -2.570
  152    H5     C  30           H5         C  30   5.672 -12.458  -3.935
  153    H6     C  30           H6         C  30   7.657 -12.393  -2.518
  154   1H5*    U  31          1H5*        U  31  11.328 -16.525   0.721
  155   2H5*    U  31          2H5*        U  31  11.886 -17.178   2.273
  156    H4*    U  31           H4*        U  31  13.397 -17.697   0.420
  157    H3*    U  31           H3*        U  31  14.256 -17.036   2.894
  158   1H2*    U  31          1H2*        U  31  14.606 -14.685   2.465
  159   2HO*    U  31          2HO*        U  31  16.651 -15.633   3.062
  160    H1*    U  31           H1*        U  31  15.780 -15.475  -0.254
  161    H3     U  31           H3         U  31  16.740 -11.173  -1.098
  162    H5     U  31           H5         U  31  12.774 -11.017   0.287
  163    H6     U  31           H6         U  31  12.917 -13.377   0.743
  164   1H5*    G  32          1H5*        G  32  15.477 -17.887   4.299
  165   2H5*    G  32          2H5*        G  32  15.797 -19.572   4.753
  166    H4*    G  32           H4*        G  32  13.887 -19.775   5.964
  167    H3*    G  32           H3*        G  32  12.394 -18.728   3.984
  168   1H2*    G  32          1H2*        G  32  12.950 -16.407   4.367
  169   2HO*    G  32          2HO*        G  32  10.914 -16.786   6.318
  170    H1*    G  32           H1*        G  32  12.732 -16.914   7.376
  171    H8     G  32           H8         G  32  15.843 -15.742   5.568
  172    H1     G  32           H1         G  32  12.587 -11.081   8.576
  173   1H2     G  32           H21        G  32  10.145 -13.509   9.021
  174   2H2     G  32           H22        G  32  10.647 -11.854   9.283
  175   1H5*    G  33          1H5*        G  33   9.060 -17.456   6.661
  176   2H5*    G  33          2H5*        G  33   9.984 -18.417   7.835
  177    H4*    G  33           H4*        G  33   7.432 -19.485   7.937
  178    H3*    G  33           H3*        G  33   6.811 -17.123   6.770
  179   1H2*    G  33          1H2*        G  33   7.791 -15.691   8.447
  180   2HO*    G  33          2HO*        G  33   5.150 -16.347   9.286
  181    H1*    G  33           H1*        G  33   6.702 -17.602  10.583
  182    H8     G  33           H8         G  33   9.838 -15.561   9.559
  183    H1     G  33           H1         G  33   8.435 -15.667  15.836
  184   1H2     G  33           H21        G  33   5.799 -17.719  14.891
  185   2H2     G  33           H22        G  33   6.653 -16.913  16.189
  186   1H5*    G  34          1H5*        G  34   3.023 -18.326   8.568
  187   2H5*    G  34          2H5*        G  34   1.633 -18.749   7.550
  188    H4*    G  34           H4*        G  34   1.491 -16.463   8.322
  189    H3*    G  34           H3*        G  34   0.932 -17.137   5.759
  190   1H2*    G  34          1H2*        G  34   3.090 -16.570   4.834
  191   2HO*    G  34          2HO*        G  34   2.867 -14.241   4.163
  192    H1*    G  34           H1*        G  34   3.089 -14.099   6.650
  193    H8     G  34           H8         G  34   5.005 -16.274   4.265
  194    H1     G  34           H1         G  34   8.709 -12.324   7.732
  195   1H2     G  34           H21        G  34   5.830 -11.754   9.582
  196   2H2     G  34           H22        G  34   7.528 -11.408   9.349
  197   1H5*    A  35          1H5*        A  35  -2.983 -12.913   5.862
  198   2H5*    A  35          2H5*        A  35  -2.783 -14.425   4.956
  199    H4*    A  35           H4*        A  35  -0.416 -12.736   5.660
  200    H3*    A  35           H3*        A  35  -2.288 -11.425   4.247
  201   1H2*    A  35          1H2*        A  35  -2.560 -13.095   2.509
  202   2HO*    A  35          2HO*        A  35  -0.286 -11.838   1.414
  203    H1*    A  35           H1*        A  35   0.488 -13.410   2.472
  204    H8     A  35           H8         A  35  -2.537 -15.800   2.832
  205   1H6     A  35           H61        A  35  -1.445 -18.695  -0.924
  206   2H6     A  35           H62        A  35  -0.183 -18.663  -2.135
  207    H2     A  35           H2         A  35   2.352 -15.054  -1.282
  208   1H5*    G  36          1H5*        G  36   1.322 -11.813   6.339
  209   2H5*    G  36          2H5*        G  36   1.693 -10.469   7.437
  210    H4*    G  36           H4*        G  36   3.769 -11.306   7.177
  211    H3*    G  36           H3*        G  36   3.460  -9.283   4.989
  212   1H2*    G  36          1H2*        G  36   5.611  -9.893   4.111
  213   2HO*    G  36          2HO*        G  36   7.071 -10.607   5.465
  214    H1*    G  36           H1*        G  36   5.154 -12.614   4.140
  215    H8     G  36           H8         G  36   1.786 -12.049   3.425
  216    H1     G  36           H1         G  36   5.332  -9.647  -1.366
  217   1H2     G  36           H21        G  36   7.962  -9.869   0.885
  218   2H2     G  36           H22        G  36   7.426  -9.432  -0.722
  219   1H5*    C  37          1H5*        C  37   6.906  -8.418   5.891
  220   2H5*    C  37          2H5*        C  37   7.237  -6.796   6.530
  221    H4*    C  37           H4*        C  37   8.680  -7.080   4.709
  222    H3*    C  37           H3*        C  37   6.350  -5.327   3.955
  223   1H2*    C  37          1H2*        C  37   7.344  -5.084   1.778
  224   2HO*    C  37          2HO*        C  37   9.572  -6.569   2.765
  225    H1*    C  37           H1*        C  37   7.951  -7.800   1.482
  226   1H4     C  37           H41        C  37   1.481  -7.406   0.237
  227   2H4     C  37           H42        C  37   2.254  -6.943  -1.263
  228    H5     C  37           H5         C  37   2.712  -7.787   2.292
  229    H6     C  37           H6         C  37   4.927  -7.801   3.315
  230   1H5*    U  38          1H5*        U  38   9.933  -3.336   2.824
  231   2H5*    U  38          2H5*        U  38   9.746  -1.574   2.912
  232    H4*    U  38           H4*        U  38  10.366  -2.424   0.672
  233    H3*    U  38           H3*        U  38   7.792  -0.875   0.940
  234   1H2*    U  38          1H2*        U  38   7.570  -1.055  -1.444
  235   2HO*    U  38          2HO*        U  38  10.194  -2.179  -1.453
  236    H1*    U  38           H1*        U  38   8.389  -3.759  -1.553
  237    H3     U  38           H3         U  38   3.982  -3.493  -2.770
  238    H5     U  38           H5         U  38   4.000  -3.759   1.426
  239    H6     U  38           H6         U  38   6.382  -3.413   1.363
  240   1H5*    C  39          1H5*        C  39  10.289   0.807  -2.290
  241   2H5*    C  39          2H5*        C  39   9.760   2.474  -2.581
  242    H4*    C  39           H4*        C  39   9.560   0.803  -4.491
  243    H3*    C  39           H3*        C  39   7.276   2.589  -3.676
  244   1H2*    C  39          1H2*        C  39   6.005   1.637  -5.464
  245   2HO*    C  39          2HO*        C  39   8.349   0.272  -6.329
  246    H1*    C  39           H1*        C  39   6.927  -1.015  -5.062
  247   1H4     C  39           H41        C  39   1.874  -0.306  -0.898
  248   2H4     C  39           H42        C  39   1.171  -0.873  -2.395
  249    H5     C  39           H5         C  39   4.197   0.349  -0.702
  250    H6     C  39           H6         C  39   6.329   0.523  -1.881
  251   1H5*    U  40          1H5*        U  40   6.362   5.503  -8.268
  252   2H5*    U  40          2H5*        U  40   5.801   5.574  -6.586
  253    H4*    U  40           H4*        U  40   5.269   3.451  -8.653
  254    H3*    U  40           H3*        U  40   3.474   5.379  -7.189
  255   1H2*    U  40          1H2*        U  40   1.765   3.710  -7.233
  256   2HO*    U  40          2HO*        U  40   3.400   2.389  -9.164
  257    H1*    U  40           H1*        U  40   3.568   1.493  -6.893
  258    H3     U  40           H3         U  40   0.315   1.830  -3.545
  259    H5     U  40           H5         U  40   3.894   3.509  -2.124
  260    H6     U  40           H6         U  40   4.738   3.439  -4.378
  261   1H5*    C  41          1H5*        C  41   0.204   7.784  -9.005
  262   2H5*    C  41          2H5*        C  41   0.099   7.483  -7.259
  263    H4*    C  41           H4*        C  41  -1.022   5.953  -9.542
  264    H3*    C  41           H3*        C  41  -2.051   6.939  -6.916
  265   1H2*    C  41          1H2*        C  41  -3.543   5.065  -6.733
  266   2HO*    C  41          2HO*        C  41  -4.263   4.438  -8.664
  267    H1*    C  41           H1*        C  41  -1.611   3.181  -7.221
  268   1H4     C  41           H41        C  41   0.443   5.424  -1.397
  269   2H4     C  41           H42        C  41  -1.132   4.768  -1.009
  270    H5     C  41           H5         C  41   1.250   5.664  -3.671
  271    H6     C  41           H6         C  41   0.717   5.305  -6.024
  272   1H5*    U  42          1H5*        U  42  -6.719   7.183  -9.840
  273   2H5*    U  42          2H5*        U  42  -5.666   7.587  -8.470
  274    H4*    U  42           H4*        U  42  -7.486   5.211  -8.793
  275    H3*    U  42           H3*        U  42  -7.561   7.611  -6.994
  276   1H2*    U  42          1H2*        U  42  -8.409   6.235  -5.212
  277   2HO*    U  42          2HO*        U  42  -8.455   4.063  -7.060
  278    H1*    U  42           H1*        U  42  -6.563   4.193  -5.540
  279    H3     U  42           H3         U  42  -5.492   6.868  -1.913
  280    H5     U  42           H5         U  42  -3.253   8.265  -5.184
  281    H6     U  42           H6         U  42  -4.619   6.890  -6.612
  282   1H5*    G  43          1H5*        G  43 -10.946   6.086  -5.671
  283   2H5*    G  43          2H5*        G  43 -12.237   7.237  -6.071
  284    H4*    G  43           H4*        G  43 -12.421   6.848  -3.775
  285    H3*    G  43           H3*        G  43 -11.075   9.498  -4.267
  286   1H2*    G  43          1H2*        G  43 -11.032   9.809  -1.879
  287   2HO*    G  43          2HO*        G  43 -12.555   8.930  -0.703
  288    H1*    G  43           H1*        G  43 -10.155   7.205  -1.318
  289    H8     G  43           H8         G  43  -8.329   8.166  -4.384
  290    H1     G  43           H1         G  43  -5.989  10.983   0.901
  291   1H2     G  43           H21        G  43  -8.930   9.909   2.396
  292   2H2     G  43           H22        G  43  -7.410  10.758   2.568
  293   1H5*    G  44          1H5*        G  44 -14.102  10.054  -1.334
  294   2H5*    G  44          2H5*        G  44 -14.889  11.620  -1.602
  295    H4*    G  44           H4*        G  44 -13.973  11.322   0.675
  296    H3*    G  44           H3*        G  44 -12.962  13.614  -0.995
  297   1H2*    G  44          1H2*        G  44 -11.605  14.276   0.854
  298   2HO*    G  44          2HO*        G  44 -12.978  14.144   2.570
  299    H1*    G  44           H1*        G  44 -10.987  11.606   1.696
  300    H8     G  44           H8         G  44 -10.366  11.823  -1.947
  301    H1     G  44           H1         G  44  -5.693  14.507   1.566
  302   1H2     G  44           H21        G  44  -7.962  14.278   4.182
  303   2H2     G  44           H22        G  44  -6.370  14.767   3.646
  304   1H5*    C  45          1H5*        C  45 -14.217  17.837   1.826
  305   2H5*    C  45          2H5*        C  45 -12.870  17.502   0.720
  306    H4*    C  45           H4*        C  45 -12.932  17.268   3.719
  307    H3*    C  45           H3*        C  45 -11.529  19.133   1.843
  308   1H2*    C  45          1H2*        C  45  -9.574  19.087   3.213
  309   2HO*    C  45          2HO*        C  45 -11.257  18.865   5.168
  310    H1*    C  45           H1*        C  45  -9.641  16.331   3.791
  311   1H4     C  45           H41        C  45  -6.862  16.546  -2.167
  312   2H4     C  45           H42        C  45  -5.564  16.955  -1.068
  313    H5     C  45           H5         C  45  -9.168  16.331  -1.459
  314    H6     C  45           H6         C  45 -10.688  16.439   0.445
  315   1H5*    C  46          1H5*        C  46 -10.904  23.510   2.649
  316   2H5*    C  46          2H5*        C  46  -9.983  22.796   1.310
  317    H4*    C  46           H4*        C  46  -9.335  22.979   4.209
  318    H3*    C  46           H3*        C  46  -7.861  23.557   1.668
  319   1H2*    C  46          1H2*        C  46  -5.788  22.983   2.745
  320   2HO*    C  46          2HO*        C  46  -6.217  23.869   4.809
  321    H1*    C  46           H1*        C  46  -6.700  20.610   3.831
  322   1H4     C  46           H41        C  46  -6.332  19.180  -2.595
  323   2H4     C  46           H42        C  46  -4.658  19.249  -2.085
  324    H5     C  46           H5         C  46  -8.175  19.819  -1.154
  325    H6     C  46           H6         C  46  -8.781  20.656   1.055
  326    H3T    C  46           H3T        C  46  -7.228  25.294   2.919
  327   1H    ARG  47          3H        ARG  47  -0.925  -7.119  -0.716
  328   2H    ARG  47          2H        ARG  47  -2.287  -7.056   0.297
  329   3H    ARG  47          1H        ARG  47  -2.379  -6.460  -1.290
  330    HA   ARG  47           HA       ARG  47  -0.878  -4.674  -0.787
  331   1HB   ARG  47          2HB       ARG  47  -3.073  -5.005   1.286
  332   2HB   ARG  47          1HB       ARG  47  -2.240  -3.489   0.943
  333   1HG   ARG  47          2HG       ARG  47  -3.252  -4.769  -1.485
  334   2HG   ARG  47          1HG       ARG  47  -4.535  -4.408  -0.332
  335   1HD   ARG  47          2HD       ARG  47  -4.429  -2.382  -1.420
  336   2HD   ARG  47          1HD       ARG  47  -3.231  -2.092  -0.160
  337    HE   ARG  47           HE       ARG  47  -1.518  -2.211  -1.810
  338   1HH1  ARG  47          1HH2      ARG  47  -4.460  -1.698  -3.251
  339   2HH1  ARG  47          2HH2      ARG  47  -4.039  -2.340  -4.803
  340   1HH2  ARG  47          1HH1      ARG  47  -1.020  -3.672  -3.728
  341   2HH2  ARG  47          2HH1      ARG  47  -2.084  -3.448  -5.074
   
  No H/Q in entry =         341
  Start of MODEL   12
    1   1H5*    G  16          1H5*        G  16   3.506  23.131  -4.910
    2   2H5*    G  16          2H5*        G  16   1.805  22.747  -5.223
    3    H4*    G  16           H4*        G  16   2.828  24.852  -3.325
    4    H3*    G  16           H3*        G  16   1.938  22.035  -2.809
    5   1H2*    G  16          1H2*        G  16   0.774  22.767  -0.844
    6   2HO*    G  16          2HO*        G  16   2.039  25.288  -1.286
    7    H1*    G  16           H1*        G  16  -0.397  25.010  -2.007
    8    H8     G  16           H8         G  16  -0.346  22.427  -4.677
    9    H1     G  16           H1         G  16  -5.004  21.496  -0.343
   10   1H2     G  16           H21        G  16  -3.319  23.893   1.518
   11   2H2     G  16           H22        G  16  -4.675  22.794   1.407
   12    H5T    G  16           H5T        G  16   3.265  25.072  -5.873
   13   1H5*    G  17          1H5*        G  17   3.558  20.850   1.987
   14   2H5*    G  17          2H5*        G  17   2.409  20.143   0.833
   15    H4*    G  17           H4*        G  17   1.921  22.235   2.935
   16    H3*    G  17           H3*        G  17   0.944  19.423   2.571
   17   1H2*    G  17          1H2*        G  17  -1.200  20.062   3.454
   18   2HO*    G  17          2HO*        G  17  -0.035  22.620   3.972
   19    H1*    G  17           H1*        G  17  -1.458  22.361   1.928
   20    H8     G  17           H8         G  17   0.129  20.628  -0.696
   21    H1     G  17           H1         G  17  -5.392  17.679   0.782
   22   1H2     G  17           H21        G  17  -5.204  19.496   3.734
   23   2H2     G  17           H22        G  17  -6.085  18.332   2.769
   24   1H5*    C  18          1H5*        C  18  -1.124  20.291   5.936
   25   2H5*    C  18          2H5*        C  18  -0.272  19.378   7.196
   26    H4*    C  18           H4*        C  18  -2.562  18.957   7.498
   27    H3*    C  18           H3*        C  18  -1.170  16.615   6.225
   28   1H2*    C  18          1H2*        C  18  -3.257  15.443   6.213
   29   2HO*    C  18          2HO*        C  18  -4.861  15.919   7.567
   30    H1*    C  18           H1*        C  18  -4.818  17.665   5.425
   31   1H4     C  18           H41        C  18  -2.214  15.201  -0.129
   32   2H4     C  18           H42        C  18  -3.777  14.436   0.045
   33    H5     C  18           H5         C  18  -1.264  16.655   1.561
   34    H6     C  18           H6         C  18  -1.632  17.685   3.742
   35   1H5*    C  19          1H5*        C  19  -2.282  12.590   9.429
   36   2H5*    C  19          2H5*        C  19  -2.073  12.892   7.691
   37    H4*    C  19           H4*        C  19  -4.635  12.934   9.278
   38    H3*    C  19           H3*        C  19  -3.538  10.977   7.283
   39   1H2*    C  19          1H2*        C  19  -5.758  10.668   6.403
   40   2HO*    C  19          2HO*        C  19  -6.646  12.350   8.535
   41    H1*    C  19           H1*        C  19  -6.372  13.372   6.261
   42   1H4     C  19           H41        C  19  -2.151  12.462   1.268
   43   2H4     C  19           H42        C  19  -3.694  11.913   0.654
   44    H5     C  19           H5         C  19  -1.806  13.108   3.580
   45    H6     C  19           H6         C  19  -2.870  13.349   5.763
   46   1H5*    A  20          1H5*        A  20  -7.020   9.135   8.543
   47   2H5*    A  20          2H5*        A  20  -6.569   7.567   9.239
   48    H4*    A  20           H4*        A  20  -8.354   7.241   7.695
   49    H3*    A  20           H3*        A  20  -5.711   6.153   6.763
   50   1H2*    A  20          1H2*        A  20  -6.777   5.392   4.756
   51   2HO*    A  20          2HO*        A  20  -8.700   4.569   5.432
   52    H1*    A  20           H1*        A  20  -8.317   7.712   4.355
   53    H8     A  20           H8         A  20  -5.018   8.964   5.462
   54   1H6     A  20           H61        A  20  -2.634   8.822   1.221
   55   2H6     A  20           H62        A  20  -2.989   8.092  -0.328
   56    H2     A  20           H2         A  20  -6.965   6.042   0.075
   57   1H5*    G  21          1H5*        G  21  -6.780   1.069   5.789
   58   2H5*    G  21          2H5*        G  21  -5.636   2.271   5.157
   59    H4*    G  21           H4*        G  21  -8.383   1.604   4.124
   60    H3*    G  21           H3*        G  21  -5.626   1.180   3.014
   61   1H2*    G  21          1H2*        G  21  -6.524   1.518   0.787
   62   2HO*    G  21          2HO*        G  21  -9.055   1.996   2.014
   63    H1*    G  21           H1*        G  21  -7.639   3.923   1.453
   64    H8     G  21           H8         G  21  -5.020   4.073   3.917
   65    H1     G  21           H1         G  21  -2.571   4.328  -2.020
   66   1H2     G  21           H21        G  21  -5.666   3.100  -3.000
   67   2H2     G  21           H22        G  21  -4.061   3.610  -3.477
   68   1H5*    A  22          1H5*        A  22  -7.795  -2.653   0.282
   69   2H5*    A  22          2H5*        A  22  -6.578  -1.453   0.762
   70    H4*    A  22           H4*        A  22  -8.557  -1.052  -1.476
   71    H3*    A  22           H3*        A  22  -5.846  -2.326  -1.617
   72   1H2*    A  22          1H2*        A  22  -5.399  -1.100  -3.651
   73   2HO*    A  22          2HO*        A  22  -8.160  -0.450  -3.465
   74    H1*    A  22           H1*        A  22  -6.171   1.345  -2.645
   75    H8     A  22           H8         A  22  -4.962  -0.007   0.484
   76   1H6     A  22           H61        A  22  -0.165   0.453  -0.087
   77   2H6     A  22           H62        A  22   0.859   0.717  -1.480
   78    H2     A  22           H2         A  22  -1.851   1.013  -5.052
   79   1H5*    U  23          1H5*        U  23  -7.509  -1.941  -5.778
   80   2H5*    U  23          2H5*        U  23  -7.933  -3.654  -5.945
   81    H4*    U  23           H4*        U  23  -6.588  -2.059  -7.769
   82    H3*    U  23           H3*        U  23  -7.837  -4.453  -7.968
   83   1H2*    U  23          1H2*        U  23  -6.044  -5.797  -7.075
   84   2HO*    U  23          2HO*        U  23  -6.423  -6.473  -9.271
   85    H1*    U  23           H1*        U  23  -4.078  -4.042  -8.642
   86    H3     U  23           H3         U  23  -0.865  -6.915  -7.245
   87    H5     U  23           H5         U  23  -2.682  -5.597  -3.687
   88    H6     U  23           H6         U  23  -4.326  -4.471  -5.033
   89   1H5*    U  25          1H5*        U  25 -10.125  -1.320  -8.257
   90   2H5*    U  25          2H5*        U  25 -10.271  -1.345 -10.027
   91    H4*    U  25           H4*        U  25  -9.278   0.740 -10.269
   92    H3*    U  25           H3*        U  25  -7.509   0.238  -8.254
   93   1H2*    U  25          1H2*        U  25  -9.089   0.666  -6.460
   94   2HO*    U  25          2HO*        U  25  -8.744   2.949  -5.885
   95    H1*    U  25           H1*        U  25 -10.069   2.975  -8.232
   96    H3     U  25           H3         U  25 -13.119   4.526  -5.364
   97    H5     U  25           H5         U  25 -13.129   0.398  -4.555
   98    H6     U  25           H6         U  25 -11.386   0.146  -6.200
   99   1H5*    G  26          1H5*        G  26  -5.828  -1.602 -10.481
  100   2H5*    G  26          2H5*        G  26  -5.289  -0.714  -9.043
  101    H4*    G  26           H4*        G  26  -4.191  -0.106 -11.764
  102    H3*    G  26           H3*        G  26  -3.398  -2.444 -10.067
  103   1H2*    G  26          1H2*        G  26  -1.083  -1.965 -10.498
  104   2HO*    G  26          2HO*        G  26  -1.375  -1.371 -12.729
  105    H1*    G  26           H1*        G  26  -1.255   0.759 -10.034
  106    H8     G  26           H8         G  26  -3.678  -0.691  -7.637
  107    H1     G  26           H1         G  26   2.441  -1.449  -5.821
  108   1H2     G  26           H21        G  26   3.192  -0.492  -9.073
  109   2H2     G  26           H22        G  26   3.789  -0.989  -7.505
  110   1H5*    A  27          1H5*        A  27  -0.552  -5.613 -12.690
  111   2H5*    A  27          2H5*        A  27  -0.800  -5.263 -10.968
  112    H4*    A  27           H4*        A  27   1.270  -4.076 -12.809
  113    H3*    A  27           H3*        A  27   1.464  -6.120 -10.626
  114   1H2*    A  27          1H2*        A  27   3.546  -5.158  -9.906
  115   2HO*    A  27          2HO*        A  27   4.755  -3.944 -11.197
  116    H1*    A  27           H1*        A  27   2.675  -2.528  -9.946
  117    H8     A  27           H8         A  27  -0.444  -4.069  -8.931
  118   1H6     A  27           H61        A  27   0.430  -4.950  -4.234
  119   2H6     A  27           H62        A  27   1.879  -4.916  -3.255
  120    H2     A  27           H2         A  27   5.269  -3.804  -5.977
  121   1H5*    G  28          1H5*        G  28   5.063  -6.145 -12.246
  122   2H5*    G  28          2H5*        G  28   5.733  -7.738 -12.648
  123    H4*    G  28           H4*        G  28   7.232  -6.580 -11.183
  124    H3*    G  28           H3*        G  28   5.880  -8.988 -10.012
  125   1H2*    G  28          1H2*        G  28   6.966  -8.595  -7.922
  126   2HO*    G  28          2HO*        G  28   8.561  -6.708  -9.351
  127    H1*    G  28           H1*        G  28   6.689  -5.790  -7.935
  128    H8     G  28           H8         G  28   3.492  -7.297  -9.147
  129    H1     G  28           H1         G  28   4.105  -7.328  -2.748
  130   1H2     G  28           H21        G  28   7.417  -6.501  -3.375
  131   2H2     G  28           H22        G  28   6.179  -6.841  -2.187
  132   1H5*    C  29          1H5*        C  29   9.950  -9.207  -8.866
  133   2H5*    C  29          2H5*        C  29  10.536 -10.860  -9.135
  134    H4*    C  29           H4*        C  29  10.980 -10.245  -6.875
  135    H3*    C  29           H3*        C  29   8.827 -12.315  -7.200
  136   1H2*    C  29          1H2*        C  29   8.519 -12.363  -4.842
  137   2HO*    C  29          2HO*        C  29  11.000 -10.957  -4.736
  138    H1*    C  29           H1*        C  29   8.890  -9.565  -4.428
  139   1H4     C  29           H41        C  29   2.518 -10.695  -5.864
  140   2H4     C  29           H42        C  29   2.589 -10.255  -4.172
  141    H5     C  29           H5         C  29   4.492 -10.916  -7.250
  142    H6     C  29           H6         C  29   6.924 -10.769  -7.294
  143   1H5*    C  30          1H5*        C  30   9.029 -15.854  -7.687
  144   2H5*    C  30          2H5*        C  30   8.359 -14.234  -7.958
  145    H4*    C  30           H4*        C  30   6.904 -16.433  -7.431
  146    H3*    C  30           H3*        C  30   6.182 -13.902  -7.960
  147   1H2*    C  30          1H2*        C  30   6.464 -13.026  -5.731
  148   2HO*    C  30          2HO*        C  30   4.143 -12.983  -6.442
  149    H1*    C  30           H1*        C  30   5.203 -15.582  -4.617
  150   1H4     C  30           H41        C  30   7.970 -12.230   0.309
  151   2H4     C  30           H42        C  30   8.583 -13.840   0.612
  152    H5     C  30           H5         C  30   6.736 -11.647  -1.693
  153    H6     C  30           H6         C  30   5.845 -12.481  -3.795
  154   1H5*    U  31          1H5*        U  31   4.662 -17.237  -9.915
  155   2H5*    U  31          2H5*        U  31   6.215 -16.533  -9.428
  156    H4*    U  31           H4*        U  31   5.087 -16.701 -12.217
  157    H3*    U  31           H3*        U  31   6.335 -18.776 -11.064
  158   1H2*    U  31          1H2*        U  31   8.330 -17.564 -10.391
  159   2HO*    U  31          2HO*        U  31   8.785 -18.482 -13.055
  160    H1*    U  31           H1*        U  31   8.307 -16.243 -13.157
  161    H3     U  31           H3         U  31  12.376 -14.678 -11.791
  162    H5     U  31           H5         U  31   9.582 -12.923  -9.188
  163    H6     U  31           H6         U  31   7.900 -14.359 -10.139
  164   1H5*    G  32          1H5*        G  32   7.719 -20.599 -12.225
  165   2H5*    G  32          2H5*        G  32   7.130 -21.969 -13.188
  166    H4*    G  32           H4*        G  32   6.247 -23.013 -11.175
  167    H3*    G  32           H3*        G  32   6.240 -20.637  -9.854
  168   1H2*    G  32          1H2*        G  32   8.642 -20.418  -9.667
  169   2HO*    G  32          2HO*        G  32   7.406 -21.067  -7.488
  170    H1*    G  32           H1*        G  32   8.729 -23.432  -9.106
  171    H8     G  32           H8         G  32  10.538 -21.000 -11.505
  172    H1     G  32           H1         G  32  14.305 -24.380  -7.534
  173   1H2     G  32           H21        G  32  11.319 -25.570  -6.223
  174   2H2     G  32           H22        G  32  13.066 -25.588  -6.168
  175   1H5*    G  33          1H5*        G  33   2.243 -23.379  -6.512
  176   2H5*    G  33          2H5*        G  33   2.245 -21.908  -7.504
  177    H4*    G  33           H4*        G  33   2.331 -21.607  -5.000
  178    H3*    G  33           H3*        G  33   3.330 -19.919  -6.865
  179   1H2*    G  33          1H2*        G  33   5.590 -20.786  -6.859
  180   2HO*    G  33          2HO*        G  33   5.536 -18.984  -4.646
  181    H1*    G  33           H1*        G  33   5.364 -21.039  -3.813
  182    H8     G  33           H8         G  33   6.177 -23.728  -6.400
  183    H1     G  33           H1         G  33  11.136 -21.846  -2.762
  184   1H2     G  33           H21        G  33   8.949 -19.415  -1.595
  185   2H2     G  33           H22        G  33  10.551 -20.116  -1.529
  186   1H5*    G  34          1H5*        G  34   4.705 -16.805  -3.037
  187   2H5*    G  34          2H5*        G  34   4.025 -18.436  -2.878
  188    H4*    G  34           H4*        G  34   2.183 -17.408  -1.513
  189    H3*    G  34           H3*        G  34   3.003 -14.929  -2.210
  190   1H2*    G  34          1H2*        G  34   5.169 -15.022  -1.162
  191   2HO*    G  34          2HO*        G  34   4.720 -13.372   0.085
  192    H1*    G  34           H1*        G  34   3.873 -16.445   1.219
  193    H8     G  34           H8         G  34   6.506 -14.750   1.420
  194    H1     G  34           H1         G  34   8.850 -20.701   0.738
  195   1H2     G  34           H21        G  34   5.705 -21.456  -0.523
  196   2H2     G  34           H22        G  34   7.311 -22.023  -0.121
  197   1H5*    A  35          1H5*        A  35  -0.766 -13.652   1.112
  198   2H5*    A  35          2H5*        A  35   0.506 -14.842   1.448
  199    H4*    A  35           H4*        A  35  -2.422 -14.960   1.967
  200    H3*    A  35           H3*        A  35   0.020 -15.259   3.609
  201   1H2*    A  35          1H2*        A  35  -0.731 -17.217   4.745
  202   2HO*    A  35          2HO*        A  35  -2.906 -16.477   5.058
  203    H1*    A  35           H1*        A  35  -1.734 -18.593   2.596
  204    H8     A  35           H8         A  35   0.719 -17.368   0.478
  205   1H6     A  35           H61        A  35   4.806 -19.424   2.121
  206   2H6     A  35           H62        A  35   5.234 -20.209   3.624
  207    H2     A  35           H2         A  35   1.576 -20.117   6.231
  208   1H5*    G  36          1H5*        G  36  -0.219 -11.524   6.101
  209   2H5*    G  36          2H5*        G  36  -0.148 -11.854   4.357
  210    H4*    G  36           H4*        G  36   2.112 -11.789   6.343
  211    H3*    G  36           H3*        G  36   1.365 -10.008   4.049
  212   1H2*    G  36          1H2*        G  36   3.696  -9.736   3.518
  213   2HO*    G  36          2HO*        G  36   5.110  -9.864   5.087
  214    H1*    G  36           H1*        G  36   4.317 -12.422   3.620
  215    H8     G  36           H8         G  36   0.927 -12.776   2.420
  216    H1     G  36           H1         G  36   4.710 -10.150  -2.066
  217   1H2     G  36           H21        G  36   6.924  -9.627   0.557
  218   2H2     G  36           H22        G  36   6.589  -9.448  -1.151
  219   1H5*    C  37          1H5*        C  37   4.356  -8.095   6.151
  220   2H5*    C  37          2H5*        C  37   4.212  -6.327   6.204
  221    H4*    C  37           H4*        C  37   6.297  -7.200   5.150
  222    H3*    C  37           H3*        C  37   4.510  -5.320   3.626
  223   1H2*    C  37          1H2*        C  37   6.091  -5.400   1.816
  224   2HO*    C  37          2HO*        C  37   7.765  -6.986   3.492
  225    H1*    C  37           H1*        C  37   6.433  -8.175   1.894
  226   1H4     C  37           H41        C  37   0.655  -7.373  -1.180
  227   2H4     C  37           H42        C  37   1.832  -6.876  -2.375
  228    H5     C  37           H5         C  37   1.245  -7.890   1.113
  229    H6     C  37           H6         C  37   3.072  -8.025   2.717
  230   1H5*    U  38          1H5*        U  38   8.457  -3.844   3.352
  231   2H5*    U  38          2H5*        U  38   8.488  -2.072   3.298
  232    H4*    U  38           H4*        U  38   9.532  -3.111   1.337
  233    H3*    U  38           H3*        U  38   7.114  -1.377   0.857
  234   1H2*    U  38          1H2*        U  38   7.441  -1.747  -1.496
  235   2HO*    U  38          2HO*        U  38   9.387  -2.090  -2.247
  236    H1*    U  38           H1*        U  38   7.939  -4.499  -1.246
  237    H3     U  38           H3         U  38   3.881  -4.014  -3.289
  238    H5     U  38           H5         U  38   3.106  -3.720   0.835
  239    H6     U  38           H6         U  38   5.479  -3.626   1.198
  240   1H5*    C  39          1H5*        C  39  10.117   0.056  -1.918
  241   2H5*    C  39          2H5*        C  39   9.779   1.776  -2.194
  242    H4*    C  39           H4*        C  39   9.647   0.313  -4.213
  243    H3*    C  39           H3*        C  39   7.282   2.015  -3.445
  244   1H2*    C  39          1H2*        C  39   6.175   1.208  -5.408
  245   2HO*    C  39          2HO*        C  39   7.247   0.162  -7.046
  246    H1*    C  39           H1*        C  39   7.012  -1.469  -5.103
  247   1H4     C  39           H41        C  39   1.783  -0.890  -1.138
  248   2H4     C  39           H42        C  39   1.124  -1.274  -2.711
  249    H5     C  39           H5         C  39   4.130  -0.416  -0.772
  250    H6     C  39           H6         C  39   6.308  -0.191  -1.845
  251   1H5*    U  40          1H5*        U  40   6.425   5.560  -7.308
  252   2H5*    U  40          2H5*        U  40   5.750   5.047  -5.748
  253    H4*    U  40           H4*        U  40   5.530   3.719  -8.433
  254    H3*    U  40           H3*        U  40   3.517   4.924  -6.562
  255   1H2*    U  40          1H2*        U  40   1.938   3.219  -7.206
  256   2HO*    U  40          2HO*        U  40   2.461   1.710  -8.848
  257    H1*    U  40           H1*        U  40   3.693   1.110  -6.886
  258    H3     U  40           H3         U  40   0.711   1.737  -3.318
  259    H5     U  40           H5         U  40   4.480   3.211  -2.180
  260    H6     U  40           H6         U  40   5.168   3.021  -4.478
  261   1H5*    C  41          1H5*        C  41   1.062   4.731  -9.843
  262   2H5*    C  41          2H5*        C  41   0.016   6.165  -9.875
  263    H4*    C  41           H4*        C  41  -1.167   4.012  -9.509
  264    H3*    C  41           H3*        C  41  -1.417   6.193  -7.452
  265   1H2*    C  41          1H2*        C  41  -2.965   4.802  -6.251
  266   2HO*    C  41          2HO*        C  41  -4.154   3.735  -7.763
  267    H1*    C  41           H1*        C  41  -1.357   2.529  -6.426
  268   1H4     C  41           H41        C  41   1.665   6.018  -1.749
  269   2H4     C  41           H42        C  41   0.159   5.549  -0.989
  270    H5     C  41           H5         C  41   2.120   5.657  -4.108
  271    H6     C  41           H6         C  41   1.224   4.765  -6.195
  272   1H5*    U  42          1H5*        U  42  -6.443   6.232  -9.366
  273   2H5*    U  42          2H5*        U  42  -5.305   6.674  -8.077
  274    H4*    U  42           H4*        U  42  -7.600   4.731  -7.976
  275    H3*    U  42           H3*        U  42  -7.075   7.356  -6.620
  276   1H2*    U  42          1H2*        U  42  -8.149   6.525  -4.635
  277   2HO*    U  42          2HO*        U  42  -9.591   4.970  -4.732
  278    H1*    U  42           H1*        U  42  -6.817   4.101  -4.592
  279    H3     U  42           H3         U  42  -5.021   6.960  -1.452
  280    H5     U  42           H5         U  42  -2.765   7.472  -4.962
  281    H6     U  42           H6         U  42  -4.432   6.187  -6.132
  282   1H5*    G  43          1H5*        G  43 -10.993   6.399  -5.478
  283   2H5*    G  43          2H5*        G  43 -11.957   7.885  -5.500
  284    H4*    G  43           H4*        G  43 -11.883   6.758  -3.301
  285    H3*    G  43           H3*        G  43 -10.879   9.591  -3.492
  286   1H2*    G  43          1H2*        G  43 -10.491   9.528  -1.124
  287   2HO*    G  43          2HO*        G  43 -11.757   6.971  -1.101
  288    H1*    G  43           H1*        G  43  -9.375   6.944  -1.117
  289    H8     G  43           H8         G  43  -7.827   8.350  -4.089
  290    H1     G  43           H1         G  43  -5.556  11.069   1.275
  291   1H2     G  43           H21        G  43  -8.335   9.645   2.790
  292   2H2     G  43           H22        G  43  -6.893  10.619   2.969
  293   1H5*    G  44          1H5*        G  44 -13.632  13.171  -3.151
  294   2H5*    G  44          2H5*        G  44 -12.224  12.097  -3.253
  295    H4*    G  44           H4*        G  44 -14.145  11.754  -1.001
  296    H3*    G  44           H3*        G  44 -12.315  14.118  -1.233
  297   1H2*    G  44          1H2*        G  44 -11.642  13.826   1.050
  298   2HO*    G  44          2HO*        G  44 -12.797  12.662   2.481
  299    H1*    G  44           H1*        G  44 -11.328  11.054   0.919
  300    H8     G  44           H8         G  44  -9.938  11.537  -2.272
  301    H1     G  44           H1         G  44  -6.260  14.485   2.103
  302   1H2     G  44           H21        G  44  -9.031  14.198   4.171
  303   2H2     G  44           H22        G  44  -7.382  14.749   3.979
  304   1H5*    C  45          1H5*        C  45 -13.635  14.865   2.401
  305   2H5*    C  45          2H5*        C  45 -14.615  16.342   2.345
  306    H4*    C  45           H4*        C  45 -13.088  16.629   4.103
  307    H3*    C  45           H3*        C  45 -12.304  18.223   1.680
  308   1H2*    C  45          1H2*        C  45 -10.383  19.023   2.861
  309   2HO*    C  45          2HO*        C  45 -11.498  19.371   4.872
  310    H1*    C  45           H1*        C  45  -9.738  16.556   4.072
  311   1H4     C  45           H41        C  45  -7.205  16.252  -2.021
  312   2H4     C  45           H42        C  45  -5.923  16.864  -1.002
  313    H5     C  45           H5         C  45  -9.465  15.891  -1.222
  314    H6     C  45           H6         C  45 -10.940  16.036   0.716
  315   1H5*    C  46          1H5*        C  46 -12.577  23.286   3.524
  316   2H5*    C  46          2H5*        C  46 -11.843  22.627   2.049
  317    H4*    C  46           H4*        C  46 -10.619  23.312   4.668
  318    H3*    C  46           H3*        C  46  -9.911  23.799   1.796
  319   1H2*    C  46          1H2*        C  46  -7.581  23.782   2.366
  320   2HO*    C  46          2HO*        C  46  -7.776  24.927   4.359
  321    H1*    C  46           H1*        C  46  -7.692  21.519   3.986
  322   1H4     C  46           H41        C  46  -8.047  19.047  -2.117
  323   2H4     C  46           H42        C  46  -6.347  19.379  -1.872
  324    H5     C  46           H5         C  46  -9.761  19.715  -0.536
  325    H6     C  46           H6         C  46 -10.186  20.842   1.586
  326    H3T    C  46           H3T        C  46  -9.658  25.783   2.532
  327   1H    ARG  47          2H        ARG  47  -1.149  -6.488   3.396
  328   2H    ARG  47          1H        ARG  47  -1.723  -4.942   3.799
  329   3H    ARG  47          3H        ARG  47  -2.627  -5.940   2.765
  330    HA   ARG  47           HA       ARG  47  -0.931  -5.819   1.071
  331   1HB   ARG  47          2HB       ARG  47  -2.047  -3.275   2.232
  332   2HB   ARG  47          1HB       ARG  47  -0.997  -3.213   0.816
  333   1HG   ARG  47          2HG       ARG  47  -2.576  -5.086  -0.115
  334   2HG   ARG  47          1HG       ARG  47  -3.702  -4.498   1.106
  335   1HD   ARG  47          2HD       ARG  47  -4.032  -3.389  -1.098
  336   2HD   ARG  47          1HD       ARG  47  -3.600  -2.245   0.172
  337    HE   ARG  47           HE       ARG  47  -1.334  -2.146  -0.793
  338   1HH1  ARG  47          1HH1      ARG  47  -0.314  -3.963  -2.360
  339   2HH1  ARG  47          2HH1      ARG  47  -0.970  -3.814  -3.956
  340   1HH2  ARG  47          1HH2      ARG  47  -3.695  -1.914  -2.940
  341   2HH2  ARG  47          2HH2      ARG  47  -2.891  -2.650  -4.286
   
  No H/Q in entry =         341
  Start of MODEL   13
    1   1H5*    G  16          1H5*        G  16   2.088  22.505  -5.847
    2   2H5*    G  16          2H5*        G  16   0.414  21.948  -5.695
    3    H4*    G  16           H4*        G  16   1.895  23.671  -3.714
    4    H3*    G  16           H3*        G  16   1.437  20.707  -3.751
    5   1H2*    G  16          1H2*        G  16   0.986  20.748  -1.395
    6   2HO*    G  16          2HO*        G  16   1.852  23.469  -1.490
    7    H1*    G  16           H1*        G  16  -0.653  23.004  -1.442
    8    H8     G  16           H8         G  16  -0.900  20.639  -4.447
    9    H1     G  16           H1         G  16  -5.012  19.453   0.353
   10   1H2     G  16           H21        G  16  -3.225  21.889   2.063
   11   2H2     G  16           H22        G  16  -4.542  20.737   2.082
   12    H5T    G  16           H5T        G  16   1.359  24.610  -5.959
   13   1H5*    G  17          1H5*        G  17   5.070  19.537   0.299
   14   2H5*    G  17          2H5*        G  17   3.687  18.680  -0.409
   15    H4*    G  17           H4*        G  17   3.744  20.669   1.835
   16    H3*    G  17           H3*        G  17   2.908  17.797   1.625
   17   1H2*    G  17          1H2*        G  17   1.128  18.192   3.180
   18   2HO*    G  17          2HO*        G  17   1.076  19.923   4.506
   19    H1*    G  17           H1*        G  17   0.274  20.603   2.068
   20    H8     G  17           H8         G  17   1.290  18.461  -0.800
   21    H1     G  17           H1         G  17  -4.490  16.964   1.589
   22   1H2     G  17           H21        G  17  -3.574  19.014   4.236
   23   2H2     G  17           H22        G  17  -4.787  17.972   3.526
   24   1H5*    C  18          1H5*        C  18   2.821  15.403   5.820
   25   2H5*    C  18          2H5*        C  18   2.012  15.362   4.241
   26    H4*    C  18           H4*        C  18   1.024  16.769   6.720
   27    H3*    C  18           H3*        C  18   0.307  14.093   5.577
   28   1H2*    C  18          1H2*        C  18  -2.007  14.499   6.096
   29   2HO*    C  18          2HO*        C  18  -1.834  15.533   8.083
   30    H1*    C  18           H1*        C  18  -2.076  17.068   5.052
   31   1H4     C  18           H41        C  18  -1.852  13.290  -0.346
   32   2H4     C  18           H42        C  18  -3.501  13.129   0.220
   33    H5     C  18           H5         C  18  -0.132  14.443   0.917
   34    H6     C  18           H6         C  18   0.350  15.664   2.975
   35   1H5*    C  19          1H5*        C  19  -1.213  10.644   8.143
   36   2H5*    C  19          2H5*        C  19  -1.286  11.053   6.417
   37    H4*    C  19           H4*        C  19  -3.446  11.534   8.469
   38    H3*    C  19           H3*        C  19  -3.090   9.318   6.488
   39   1H2*    C  19          1H2*        C  19  -5.417   9.417   5.911
   40   2HO*    C  19          2HO*        C  19  -6.839  10.080   7.334
   41    H1*    C  19           H1*        C  19  -5.561  12.174   5.678
   42   1H4     C  19           H41        C  19  -2.245  10.478   0.244
   43   2H4     C  19           H42        C  19  -3.864   9.894  -0.068
   44    H5     C  19           H5         C  19  -1.559  11.371   2.391
   45    H6     C  19           H6         C  19  -2.286  11.882   4.663
   46   1H5*    A  20          1H5*        A  20  -6.397   8.065   8.296
   47   2H5*    A  20          2H5*        A  20  -6.285   6.373   8.818
   48    H4*    A  20           H4*        A  20  -8.154   6.643   7.342
   49    H3*    A  20           H3*        A  20  -5.882   5.022   6.226
   50   1H2*    A  20          1H2*        A  20  -7.131   4.719   4.211
   51   2HO*    A  20          2HO*        A  20  -9.166   4.276   4.984
   52    H1*    A  20           H1*        A  20  -8.144   7.358   4.095
   53    H8     A  20           H8         A  20  -4.562   7.671   5.005
   54   1H6     A  20           H61        A  20  -2.600   7.446   0.552
   55   2H6     A  20           H62        A  20  -3.240   7.007  -1.016
   56    H2     A  20           H2         A  20  -7.550   5.911  -0.408
   57   1H5*    G  21          1H5*        G  21  -8.048   0.500   4.794
   58   2H5*    G  21          2H5*        G  21  -6.670   1.512   4.316
   59    H4*    G  21           H4*        G  21  -9.477   1.566   3.232
   60    H3*    G  21           H3*        G  21  -6.848   0.714   2.068
   61   1H2*    G  21          1H2*        G  21  -7.556   1.549  -0.090
   62   2HO*    G  21          2HO*        G  21  -9.710   1.366  -0.306
   63    H1*    G  21           H1*        G  21  -8.144   4.024   0.885
   64    H8     G  21           H8         G  21  -5.707   3.241   3.414
   65    H1     G  21           H1         G  21  -2.889   3.735  -2.341
   66   1H2     G  21           H21        G  21  -6.105   3.437  -3.597
   67   2H2     G  21           H22        G  21  -4.398   3.613  -3.935
   68   1H5*    A  22          1H5*        A  22 -10.117  -2.230  -1.202
   69   2H5*    A  22          2H5*        A  22  -8.598  -1.834  -0.373
   70    H4*    A  22           H4*        A  22  -9.798  -0.402  -2.744
   71    H3*    A  22           H3*        A  22  -7.547  -2.381  -2.565
   72   1H2*    A  22          1H2*        A  22  -6.292  -1.092  -4.134
   73   2HO*    A  22          2HO*        A  22  -8.748   0.270  -4.637
   74    H1*    A  22           H1*        A  22  -7.094   1.454  -3.177
   75    H8     A  22           H8         A  22  -6.219  -0.145  -0.058
   76   1H6     A  22           H61        A  22  -1.389   0.368  -0.144
   77   2H6     A  22           H62        A  22  -0.244   0.729  -1.418
   78    H2     A  22           H2         A  22  -2.597   1.100  -5.223
   79   1H5*    U  23          1H5*        U  23  -6.424  -1.644  -6.067
   80   2H5*    U  23          2H5*        U  23  -8.099  -1.992  -6.533
   81    H4*    U  23           H4*        U  23  -6.865  -2.253  -8.472
   82    H3*    U  23           H3*        U  23  -8.257  -4.439  -7.683
   83   1H2*    U  23          1H2*        U  23  -6.407  -5.610  -6.666
   84   2HO*    U  23          2HO*        U  23  -7.222  -6.811  -8.564
   85    H1*    U  23           H1*        U  23  -4.652  -4.636  -8.986
   86    H3     U  23           H3         U  23  -0.873  -6.386  -7.368
   87    H5     U  23           H5         U  23  -3.023  -5.487  -3.867
   88    H6     U  23           H6         U  23  -4.832  -4.725  -5.267
   89   1H5*    U  25          1H5*        U  25 -11.076  -1.838  -8.211
   90   2H5*    U  25          2H5*        U  25 -11.108  -2.206  -9.947
   91    H4*    U  25           H4*        U  25  -9.930  -0.331 -10.519
   92    H3*    U  25           H3*        U  25  -8.140  -0.745  -8.507
   93   1H2*    U  25          1H2*        U  25  -9.542   0.208  -6.769
   94   2HO*    U  25          2HO*        U  25  -8.882   2.602  -6.820
   95    H1*    U  25           H1*        U  25 -10.263   2.311  -8.886
   96    H3     U  25           H3         U  25 -13.326   4.631  -6.614
   97    H5     U  25           H5         U  25 -12.986   1.110  -4.340
   98    H6     U  25           H6         U  25 -11.422   0.289  -5.977
   99   1H5*    G  26          1H5*        G  26  -5.745  -2.404 -11.355
  100   2H5*    G  26          2H5*        G  26  -5.409  -1.866  -9.701
  101    H4*    G  26           H4*        G  26  -4.066  -0.799 -12.173
  102    H3*    G  26           H3*        G  26  -3.228  -3.049 -10.382
  103   1H2*    G  26          1H2*        G  26  -0.971  -2.244 -10.408
  104   2HO*    G  26          2HO*        G  26  -1.096  -1.680 -12.723
  105    H1*    G  26           H1*        G  26  -1.588   0.450 -10.086
  106    H8     G  26           H8         G  26  -4.061  -1.192  -7.923
  107    H1     G  26           H1         G  26   1.849  -1.215  -5.398
  108   1H2     G  26           H21        G  26   2.870  -0.354  -8.605
  109   2H2     G  26           H22        G  26   3.331  -0.714  -6.957
  110   1H5*    A  27          1H5*        A  27   0.334  -5.666 -12.764
  111   2H5*    A  27          2H5*        A  27   0.012  -5.593 -11.019
  112    H4*    A  27           H4*        A  27   2.023  -4.076 -12.647
  113    H3*    A  27           H3*        A  27   2.232  -5.996 -10.354
  114   1H2*    A  27          1H2*        A  27   4.112  -4.764  -9.503
  115   2HO*    A  27          2HO*        A  27   3.943  -3.122 -11.830
  116    H1*    A  27           H1*        A  27   2.954  -2.262  -9.761
  117    H8     A  27           H8         A  27  -0.026  -4.183  -8.929
  118   1H6     A  27           H61        A  27   0.525  -4.659  -4.120
  119   2H6     A  27           H62        A  27   1.863  -4.366  -3.031
  120    H2     A  27           H2         A  27   5.301  -2.934  -5.541
  121   1H5*    G  28          1H5*        G  28   6.074  -5.566 -11.609
  122   2H5*    G  28          2H5*        G  28   6.967  -7.100 -11.623
  123    H4*    G  28           H4*        G  28   7.991  -5.427 -10.162
  124    H3*    G  28           H3*        G  28   7.021  -7.986  -8.934
  125   1H2*    G  28          1H2*        G  28   7.705  -7.210  -6.776
  126   2HO*    G  28          2HO*        G  28   9.544  -5.924  -8.165
  127    H1*    G  28           H1*        G  28   6.798  -4.571  -7.095
  128    H8     G  28           H8         G  28   4.168  -6.717  -8.585
  129    H1     G  28           H1         G  28   4.026  -6.628  -2.161
  130   1H2     G  28           H21        G  28   7.158  -5.159  -2.425
  131   2H2     G  28           H22        G  28   5.880  -5.736  -1.379
  132   1H5*    C  29          1H5*        C  29  10.939  -6.932  -7.084
  133   2H5*    C  29          2H5*        C  29  11.863  -8.429  -7.314
  134    H4*    C  29           H4*        C  29  12.093  -7.765  -5.047
  135    H3*    C  29           H3*        C  29  10.301 -10.156  -5.390
  136   1H2*    C  29          1H2*        C  29  10.091 -10.255  -2.999
  137   2HO*    C  29          2HO*        C  29  12.371  -9.714  -2.643
  138    H1*    C  29           H1*        C  29   9.797  -7.460  -2.671
  139   1H4     C  29           H41        C  29   3.949 -10.095  -4.369
  140   2H4     C  29           H42        C  29   3.829  -9.633  -2.687
  141    H5     C  29           H5         C  29   5.978  -9.841  -5.666
  142    H6     C  29           H6         C  29   8.307  -9.123  -5.600
  143   1H5*    C  30          1H5*        C  30   9.129 -12.408  -6.002
  144   2H5*    C  30          2H5*        C  30   9.626 -11.737  -4.437
  145    H4*    C  30           H4*        C  30  10.242 -14.584  -5.023
  146    H3*    C  30           H3*        C  30   7.664 -14.064  -5.504
  147   1H2*    C  30          1H2*        C  30   7.243 -12.857  -3.431
  148   2HO*    C  30          2HO*        C  30   6.728 -15.628  -3.026
  149    H1*    C  30           H1*        C  30   8.814 -15.074  -2.013
  150   1H4     C  30           H41        C  30   8.454  -9.845   2.053
  151   2H4     C  30           H42        C  30   8.553 -11.281   3.046
  152    H5     C  30           H5         C  30   8.441  -9.919  -0.372
  153    H6     C  30           H6         C  30   8.499 -11.380  -2.324
  154   1H5*    U  31          1H5*        U  31   4.756 -17.956  -6.279
  155   2H5*    U  31          2H5*        U  31   5.051 -16.547  -7.318
  156    H4*    U  31           H4*        U  31   3.188 -16.807  -4.976
  157    H3*    U  31           H3*        U  31   2.512 -17.246  -7.537
  158   1H2*    U  31          1H2*        U  31   3.255 -15.117  -8.414
  159   2HO*    U  31          2HO*        U  31   1.321 -13.750  -8.464
  160    H1*    U  31           H1*        U  31   2.025 -13.768  -5.953
  161    H3     U  31           H3         U  31   3.108  -9.921  -8.108
  162    H5     U  31           H5         U  31   6.785 -11.873  -7.512
  163    H6     U  31           H6         U  31   5.558 -13.792  -6.728
  164   1H5*    G  32          1H5*        G  32   1.213 -20.320  -7.767
  165   2H5*    G  32          2H5*        G  32   0.111 -20.710  -6.432
  166    H4*    G  32           H4*        G  32   2.131 -21.181  -5.029
  167    H3*    G  32           H3*        G  32   3.765 -20.031  -6.783
  168   1H2*    G  32          1H2*        G  32   3.207 -21.443  -8.681
  169   2HO*    G  32          2HO*        G  32   4.922 -23.065  -8.767
  170    H1*    G  32           H1*        G  32   3.387 -23.879  -6.838
  171    H8     G  32           H8         G  32   0.437 -22.606  -8.910
  172    H1     G  32           H1         G  32   3.240 -27.956 -11.124
  173   1H2     G  32           H21        G  32   5.602 -27.365  -8.648
  174   2H2     G  32           H22        G  32   5.065 -28.385  -9.964
  175   1H5*    G  33          1H5*        G  33   4.362 -19.232  -4.416
  176   2H5*    G  33          2H5*        G  33   5.721 -18.199  -3.934
  177    H4*    G  33           H4*        G  33   4.300 -18.508  -2.059
  178    H3*    G  33           H3*        G  33   6.967 -18.933  -1.794
  179   1H2*    G  33          1H2*        G  33   6.888 -21.344  -1.992
  180   2HO*    G  33          2HO*        G  33   6.396 -20.672   0.732
  181    H1*    G  33           H1*        G  33   4.336 -21.267  -0.292
  182    H8     G  33           H8         G  33   5.516 -22.862  -3.619
  183    H1     G  33           H1         G  33   3.028 -26.888   0.735
  184   1H2     G  33           H21        G  33   2.795 -24.068   2.747
  185   2H2     G  33           H22        G  33   2.524 -25.789   2.577
  186   1H5*    G  34          1H5*        G  34   6.292 -14.962   1.167
  187   2H5*    G  34          2H5*        G  34   6.706 -15.518   2.800
  188    H4*    G  34           H4*        G  34   4.846 -14.382   3.329
  189    H3*    G  34           H3*        G  34   4.234 -16.987   3.500
  190   1H2*    G  34          1H2*        G  34   3.413 -17.202   1.210
  191   2HO*    G  34          2HO*        G  34   1.062 -17.075   1.416
  192    H1*    G  34           H1*        G  34   1.910 -14.574   1.696
  193    H8     G  34           H8         G  34   4.174 -16.144  -1.022
  194    H1     G  34           H1         G  34  -1.425 -13.705  -3.035
  195   1H2     G  34           H21        G  34  -1.977 -13.036   0.325
  196   2H2     G  34           H22        G  34  -2.575 -12.945  -1.316
  197   1H5*    A  35          1H5*        A  35   0.486 -15.221   7.568
  198   2H5*    A  35          2H5*        A  35   0.840 -16.513   6.407
  199    H4*    A  35           H4*        A  35   0.214 -13.695   5.582
  200    H3*    A  35           H3*        A  35  -1.720 -15.836   6.317
  201   1H2*    A  35          1H2*        A  35  -3.028 -15.521   4.344
  202   2HO*    A  35          2HO*        A  35  -2.966 -13.744   3.152
  203    H1*    A  35           H1*        A  35  -0.914 -15.512   2.585
  204    H8     A  35           H8         A  35   0.697 -17.796   4.790
  205   1H6     A  35           H61        A  35  -1.818 -21.890   4.031
  206   2H6     A  35           H62        A  35  -3.357 -22.228   3.270
  207    H2     A  35           H2         A  35  -5.014 -18.294   1.873
  208   1H5*    G  36          1H5*        G  36  -1.243 -10.027   5.171
  209   2H5*    G  36          2H5*        G  36  -0.565 -10.666   3.661
  210    H4*    G  36           H4*        G  36   0.762 -10.309   6.324
  211    H3*    G  36           H3*        G  36   1.196  -9.141   3.607
  212   1H2*    G  36          1H2*        G  36   3.578  -9.158   3.913
  213   2HO*    G  36          2HO*        G  36   4.025  -8.754   6.005
  214    H1*    G  36           H1*        G  36   3.696 -11.783   4.690
  215    H8     G  36           H8         G  36   0.989 -12.638   2.708
  216    H1     G  36           H1         G  36   5.520 -10.110  -1.086
  217   1H2     G  36           H21        G  36   6.839  -8.839   1.861
  218   2H2     G  36           H22        G  36   6.964  -8.966   0.122
  219   1H5*    C  37          1H5*        C  37   3.451  -5.111   6.622
  220   2H5*    C  37          2H5*        C  37   2.683  -5.801   5.178
  221    H4*    C  37           H4*        C  37   5.563  -6.095   6.021
  222    H3*    C  37           H3*        C  37   4.276  -4.362   3.939
  223   1H2*    C  37          1H2*        C  37   6.117  -4.802   2.453
  224   2HO*    C  37          2HO*        C  37   8.027  -5.395   3.187
  225    H1*    C  37           H1*        C  37   6.153  -7.544   2.860
  226   1H4     C  37           H41        C  37   0.753  -6.713  -0.830
  227   2H4     C  37           H42        C  37   2.066  -6.436  -1.951
  228    H5     C  37           H5         C  37   1.096  -7.010   1.553
  229    H6     C  37           H6         C  37   2.758  -7.063   3.336
  230   1H5*    U  38          1H5*        U  38   8.139  -3.298   3.515
  231   2H5*    U  38          2H5*        U  38   8.281  -1.541   3.717
  232    H4*    U  38           H4*        U  38   9.286  -2.215   1.643
  233    H3*    U  38           H3*        U  38   6.777  -0.579   1.373
  234   1H2*    U  38          1H2*        U  38   7.015  -0.690  -1.008
  235   2HO*    U  38          2HO*        U  38   9.169  -0.374  -1.343
  236    H1*    U  38           H1*        U  38   7.773  -3.407  -1.088
  237    H3     U  38           H3         U  38   3.640  -2.940  -3.030
  238    H5     U  38           H5         U  38   2.942  -3.464   1.082
  239    H6     U  38           H6         U  38   5.304  -3.191   1.443
  240   1H5*    C  39          1H5*        C  39   8.493   3.513  -1.629
  241   2H5*    C  39          2H5*        C  39   6.911   2.792  -1.273
  242    H4*    C  39           H4*        C  39   8.840   2.134  -3.475
  243    H3*    C  39           H3*        C  39   6.035   3.191  -3.426
  244   1H2*    C  39          1H2*        C  39   5.535   1.939  -5.413
  245   2HO*    C  39          2HO*        C  39   7.547   2.297  -6.483
  246    H1*    C  39           H1*        C  39   6.719  -0.432  -4.573
  247   1H4     C  39           H41        C  39   1.133  -0.298  -1.094
  248   2H4     C  39           H42        C  39   0.632  -0.781  -2.699
  249    H5     C  39           H5         C  39   3.384   0.437  -0.583
  250    H6     C  39           H6         C  39   5.606   0.853  -1.507
  251   1H5*    U  40          1H5*        U  40   5.137   5.742  -7.958
  252   2H5*    U  40          2H5*        U  40   4.374   5.768  -6.355
  253    H4*    U  40           H4*        U  40   4.275   3.662  -8.483
  254    H3*    U  40           H3*        U  40   2.187   5.224  -6.990
  255   1H2*    U  40          1H2*        U  40   0.724   3.345  -7.110
  256   2HO*    U  40          2HO*        U  40   2.604   2.093  -8.849
  257    H1*    U  40           H1*        U  40   2.710   1.393  -6.624
  258    H3     U  40           H3         U  40  -0.562   1.887  -3.295
  259    H5     U  40           H5         U  40   2.968   3.775  -2.026
  260    H6     U  40           H6         U  40   3.804   3.562  -4.274
  261   1H5*    C  41          1H5*        C  41  -0.956   7.817  -9.905
  262   2H5*    C  41          2H5*        C  41  -0.233   7.324  -8.362
  263    H4*    C  41           H4*        C  41  -1.347   5.429 -10.425
  264    H3*    C  41           H3*        C  41  -2.743   6.724  -8.112
  265   1H2*    C  41          1H2*        C  41  -3.803   4.637  -7.579
  266   2HO*    C  41          2HO*        C  41  -4.064   3.093  -9.033
  267    H1*    C  41           H1*        C  41  -1.512   3.082  -7.804
  268   1H4     C  41           H41        C  41  -0.330   6.064  -2.082
  269   2H4     C  41           H42        C  41  -1.751   5.111  -1.719
  270    H5     C  41           H5         C  41   0.532   6.342  -4.329
  271    H6     C  41           H6         C  41   0.222   5.744  -6.670
  272   1H5*    U  42          1H5*        U  42  -5.730   4.396  -9.339
  273   2H5*    U  42          2H5*        U  42  -7.012   5.454  -9.959
  274    H4*    U  42           H4*        U  42  -7.975   3.891  -8.447
  275    H3*    U  42           H3*        U  42  -7.905   6.717  -7.455
  276   1H2*    U  42          1H2*        U  42  -8.878   6.035  -5.382
  277   2HO*    U  42          2HO*        U  42 -10.432   4.596  -5.850
  278    H1*    U  42           H1*        U  42  -7.350   3.705  -5.064
  279    H3     U  42           H3         U  42  -6.170   6.994  -2.013
  280    H5     U  42           H5         U  42  -3.521   7.290  -5.261
  281    H6     U  42           H6         U  42  -4.960   5.793  -6.475
  282   1H5*    G  43          1H5*        G  43 -12.547   8.357  -6.412
  283   2H5*    G  43          2H5*        G  43 -10.910   8.908  -6.006
  284    H4*    G  43           H4*        G  43 -12.765   7.154  -4.429
  285    H3*    G  43           H3*        G  43 -11.529   9.841  -3.939
  286   1H2*    G  43          1H2*        G  43 -11.311   9.321  -1.606
  287   2HO*    G  43          2HO*        G  43 -12.242   7.420  -0.736
  288    H1*    G  43           H1*        G  43 -10.309   6.747  -1.967
  289    H8     G  43           H8         G  43  -8.736   8.472  -4.773
  290    H1     G  43           H1         G  43  -6.144  10.192   0.855
  291   1H2     G  43           H21        G  43  -8.953   8.702   2.248
  292   2H2     G  43           H22        G  43  -7.448   9.553   2.513
  293   1H5*    G  44          1H5*        G  44 -14.007  12.872  -1.112
  294   2H5*    G  44          2H5*        G  44 -12.318  12.746  -1.642
  295    H4*    G  44           H4*        G  44 -13.534  11.740   0.922
  296    H3*    G  44           H3*        G  44 -11.693  14.028   0.325
  297   1H2*    G  44          1H2*        G  44 -10.477  13.573   2.350
  298   2HO*    G  44          2HO*        G  44 -11.486  12.685   3.986
  299    H1*    G  44           H1*        G  44 -10.266  10.840   1.943
  300    H8     G  44           H8         G  44 -10.021  11.700  -1.518
  301    H1     G  44           H1         G  44  -4.898  13.885   1.695
  302   1H2     G  44           H21        G  44  -6.829  13.346   4.525
  303   2H2     G  44           H22        G  44  -5.307  13.890   3.858
  304   1H5*    C  45          1H5*        C  45 -12.324  14.563   4.144
  305   2H5*    C  45          2H5*        C  45 -13.033  16.143   4.527
  306    H4*    C  45           H4*        C  45 -11.123  15.877   5.888
  307    H3*    C  45           H3*        C  45 -10.683  17.842   3.655
  308   1H2*    C  45          1H2*        C  45  -8.454  18.189   4.444
  309   2HO*    C  45          2HO*        C  45  -8.805  18.268   6.661
  310    H1*    C  45           H1*        C  45  -7.910  15.477   4.967
  311   1H4     C  45           H41        C  45  -6.962  16.154  -1.521
  312   2H4     C  45           H42        C  45  -5.452  16.648  -0.788
  313    H5     C  45           H5         C  45  -8.948  15.644  -0.232
  314    H6     C  45           H6         C  45  -9.888  15.522   2.016
  315   1H5*    C  46          1H5*        C  46 -12.355  22.421   4.892
  316   2H5*    C  46          2H5*        C  46 -11.776  21.151   3.797
  317    H4*    C  46           H4*        C  46 -10.439  22.011   6.362
  318    H3*    C  46           H3*        C  46  -9.926  22.888   3.541
  319   1H2*    C  46          1H2*        C  46  -7.563  22.778   3.935
  320   2HO*    C  46          2HO*        C  46  -7.069  23.450   5.905
  321    H1*    C  46           H1*        C  46  -7.596  20.323   5.261
  322   1H4     C  46           H41        C  46  -8.343  18.773  -1.118
  323   2H4     C  46           H42        C  46  -6.618  18.964  -0.900
  324    H5     C  46           H5         C  46  -9.954  19.268   0.622
  325    H6     C  46           H6         C  46 -10.236  20.070   2.909
  326    H3T    C  46           H3T        C  46  -9.682  24.012   6.111
  327   1H    ARG  47          2H        ARG  47   0.945  -2.131   0.620
  328   2H    ARG  47          1H        ARG  47  -0.579  -1.407   0.424
  329   3H    ARG  47          3H        ARG  47   0.231  -1.287   1.909
  330    HA   ARG  47           HA       ARG  47  -1.518  -2.916   2.084
  331   1HB   ARG  47          2HB       ARG  47  -0.329  -3.752  -0.496
  332   2HB   ARG  47          1HB       ARG  47  -0.773  -5.074   0.583
  333   1HG   ARG  47          2HG       ARG  47  -2.860  -4.809  -0.274
  334   2HG   ARG  47          1HG       ARG  47  -2.958  -3.412   0.800
  335   1HD   ARG  47          2HD       ARG  47  -2.033  -1.992  -1.035
  336   2HD   ARG  47          1HD       ARG  47  -2.080  -3.396  -2.102
  337    HE   ARG  47           HE       ARG  47  -4.537  -2.237  -0.846
  338   1HH1  ARG  47          1HH2      ARG  47  -5.743  -4.346  -1.875
  339   2HH1  ARG  47          2HH2      ARG  47  -5.822  -4.183  -3.595
  340   1HH2  ARG  47          1HH1      ARG  47  -3.363  -1.733  -3.743
  341   2HH2  ARG  47          2HH1      ARG  47  -4.484  -2.686  -4.657
   
  No H/Q in entry =         341
  Start of MODEL   14
    1   1H5*    G  16          1H5*        G  16   3.783  22.734  -4.863
    2   2H5*    G  16          2H5*        G  16   2.052  22.379  -4.972
    3    H4*    G  16           H4*        G  16   3.390  24.182  -2.962
    4    H3*    G  16           H3*        G  16   2.452  21.342  -2.739
    5   1H2*    G  16          1H2*        G  16   1.592  21.798  -0.549
    6   2HO*    G  16          2HO*        G  16   3.273  23.090   0.248
    7    H1*    G  16           H1*        G  16   0.407  24.243  -1.189
    8    H8     G  16           H8         G  16  -0.081  22.072  -4.168
    9    H1     G  16           H1         G  16  -4.145  20.745   0.636
   10   1H2     G  16           H21        G  16  -2.058  22.764   2.538
   11   2H2     G  16           H22        G  16  -3.489  21.759   2.479
   12    H5T    G  16           H5T        G  16   3.230  24.957  -5.213
   13   1H5*    G  17          1H5*        G  17   4.363  19.094   1.292
   14   2H5*    G  17          2H5*        G  17   2.970  18.931   0.205
   15    H4*    G  17           H4*        G  17   3.110  20.539   2.751
   16    H3*    G  17           H3*        G  17   1.886  17.868   2.162
   17   1H2*    G  17          1H2*        G  17  -0.006  18.439   3.536
   18   2HO*    G  17          2HO*        G  17   0.075  19.995   5.017
   19    H1*    G  17           H1*        G  17  -0.390  20.957   2.446
   20    H8     G  17           H8         G  17   0.669  19.482  -0.621
   21    H1     G  17           H1         G  17  -4.890  16.875   1.289
   22   1H2     G  17           H21        G  17  -4.138  18.292   4.366
   23   2H2     G  17           H22        G  17  -5.253  17.342   3.411
   24   1H5*    C  18          1H5*        C  18   1.011  18.308   6.042
   25   2H5*    C  18          2H5*        C  18   1.751  16.989   6.970
   26    H4*    C  18           H4*        C  18  -0.567  17.184   7.546
   27    H3*    C  18           H3*        C  18   0.137  14.694   6.012
   28   1H2*    C  18          1H2*        C  18  -2.149  14.016   6.161
   29   2HO*    C  18          2HO*        C  18  -2.453  16.133   8.052
   30    H1*    C  18           H1*        C  18  -3.237  16.617   5.777
   31   1H4     C  18           H41        C  18  -2.266  14.146  -0.268
   32   2H4     C  18           H42        C  18  -3.903  13.705   0.164
   33    H5     C  18           H5         C  18  -0.736  15.218   1.282
   34    H6     C  18           H6         C  18  -0.477  16.082   3.549
   35   1H5*    C  19          1H5*        C  19  -1.465  10.693   8.545
   36   2H5*    C  19          2H5*        C  19  -1.427  11.407   6.921
   37    H4*    C  19           H4*        C  19  -3.709  11.653   8.878
   38    H3*    C  19           H3*        C  19  -3.286   9.642   6.691
   39   1H2*    C  19          1H2*        C  19  -5.617   9.834   6.102
   40   2HO*    C  19          2HO*        C  19  -7.019  10.373   7.592
   41    H1*    C  19           H1*        C  19  -5.660  12.603   6.096
   42   1H4     C  19           H41        C  19  -2.257  11.176   0.631
   43   2H4     C  19           H42        C  19  -3.919  10.840   0.201
   44    H5     C  19           H5         C  19  -1.566  11.734   2.886
   45    H6     C  19           H6         C  19  -2.328  12.071   5.178
   46   1H5*    A  20          1H5*        A  20  -6.790   8.396   8.094
   47   2H5*    A  20          2H5*        A  20  -6.695   6.685   8.553
   48    H4*    A  20           H4*        A  20  -8.508   6.993   7.029
   49    H3*    A  20           H3*        A  20  -6.181   5.476   5.874
   50   1H2*    A  20          1H2*        A  20  -7.430   5.235   3.840
   51   2HO*    A  20          2HO*        A  20  -9.638   6.350   5.266
   52    H1*    A  20           H1*        A  20  -8.388   7.881   3.801
   53    H8     A  20           H8         A  20  -4.930   8.396   4.838
   54   1H6     A  20           H61        A  20  -2.662   8.012   0.549
   55   2H6     A  20           H62        A  20  -3.156   7.409  -1.017
   56    H2     A  20           H2         A  20  -7.415   6.045  -0.608
   57   1H5*    G  21          1H5*        G  21  -9.566   3.206   5.001
   58   2H5*    G  21          2H5*        G  21  -9.216   1.468   5.065
   59    H4*    G  21           H4*        G  21 -10.029   2.231   2.870
   60    H3*    G  21           H3*        G  21  -7.291   0.984   3.009
   61   1H2*    G  21          1H2*        G  21  -7.160   1.214   0.618
   62   2HO*    G  21          2HO*        G  21  -9.236   0.665  -0.010
   63    H1*    G  21           H1*        G  21  -8.185   3.828   0.567
   64    H8     G  21           H8         G  21  -5.975   3.670   3.539
   65    H1     G  21           H1         G  21  -2.731   4.036  -2.003
   66   1H2     G  21           H21        G  21  -5.790   3.295  -3.465
   67   2H2     G  21           H22        G  21  -4.089   3.637  -3.690
   68   1H5*    A  22          1H5*        A  22  -8.612  -2.797  -0.995
   69   2H5*    A  22          2H5*        A  22  -7.083  -2.181  -0.335
   70    H4*    A  22           H4*        A  22  -8.881  -0.889  -2.378
   71    H3*    A  22           H3*        A  22  -6.172  -2.158  -2.590
   72   1H2*    A  22          1H2*        A  22  -5.530  -0.465  -4.187
   73   2HO*    A  22          2HO*        A  22  -8.193   0.540  -3.972
   74    H1*    A  22           H1*        A  22  -6.405   1.659  -2.668
   75    H8     A  22           H8         A  22  -5.487  -0.176   0.219
   76   1H6     A  22           H61        A  22  -0.632   0.122   0.095
   77   2H6     A  22           H62        A  22   0.511   0.525  -1.166
   78    H2     A  22           H2         A  22  -1.882   1.354  -4.874
   79   1H5*    U  23          1H5*        U  23  -8.716  -2.960  -5.946
   80   2H5*    U  23          2H5*        U  23  -8.994  -4.514  -6.752
   81    H4*    U  23           H4*        U  23  -7.475  -2.507  -7.729
   82    H3*    U  23           H3*        U  23  -8.150  -4.943  -8.726
   83   1H2*    U  23          1H2*        U  23  -6.362  -6.168  -7.643
   84   2HO*    U  23          2HO*        U  23  -4.628  -6.288  -9.247
   85    H1*    U  23           H1*        U  23  -4.554  -3.779  -8.321
   86    H3     U  23           H3         U  23  -1.082  -6.336  -6.921
   87    H5     U  23           H5         U  23  -3.677  -6.209  -3.614
   88    H6     U  23           H6         U  23  -5.298  -5.118  -5.023
   89   1H5*    U  25          1H5*        U  25 -10.445  -1.218  -9.280
   90   2H5*    U  25          2H5*        U  25  -9.797  -0.669 -10.839
   91    H4*    U  25           H4*        U  25  -8.485   1.026  -9.748
   92    H3*    U  25           H3*        U  25  -8.487  -0.379  -7.405
   93   1H2*    U  25          1H2*        U  25 -10.782   0.103  -6.827
   94   2HO*    U  25          2HO*        U  25  -9.455   1.036  -5.175
   95    H1*    U  25           H1*        U  25 -10.269   2.905  -7.969
   96    H3     U  25           H3         U  25 -14.362   4.415  -6.962
   97    H5     U  25           H5         U  25 -15.102   0.439  -8.115
   98    H6     U  25           H6         U  25 -12.723   0.148  -8.375
   99   1H5*    G  26          1H5*        G  26  -6.323  -0.769 -10.412
  100   2H5*    G  26          2H5*        G  26  -5.444  -1.100  -8.907
  101    H4*    G  26           H4*        G  26  -4.512   0.190 -11.428
  102    H3*    G  26           H3*        G  26  -3.552  -2.110  -9.770
  103   1H2*    G  26          1H2*        G  26  -1.279  -1.584 -10.352
  104   2HO*    G  26          2HO*        G  26  -0.759  -0.290 -12.023
  105    H1*    G  26           H1*        G  26  -1.470   1.124  -9.861
  106    H8     G  26           H8         G  26  -3.789  -0.329  -7.381
  107    H1     G  26           H1         G  26   2.383  -1.105  -5.784
  108   1H2     G  26           H21        G  26   3.027  -0.140  -9.055
  109   2H2     G  26           H22        G  26   3.674  -0.644  -7.509
  110   1H5*    A  27          1H5*        A  27  -0.931  -5.339 -12.386
  111   2H5*    A  27          2H5*        A  27  -1.070  -4.987 -10.652
  112    H4*    A  27           H4*        A  27   0.958  -3.934 -12.611
  113    H3*    A  27           H3*        A  27   1.148  -5.862 -10.326
  114   1H2*    A  27          1H2*        A  27   3.297  -4.957  -9.735
  115   2HO*    A  27          2HO*        A  27   4.463  -4.310 -11.390
  116    H1*    A  27           H1*        A  27   2.525  -2.301  -9.865
  117    H8     A  27           H8         A  27  -0.618  -3.708  -8.709
  118   1H6     A  27           H61        A  27   0.358  -4.437  -4.001
  119   2H6     A  27           H62        A  27   1.831  -4.388  -3.060
  120    H2     A  27           H2         A  27   5.166  -3.413  -5.906
  121   1H5*    G  28          1H5*        G  28   5.670  -8.541 -11.489
  122   2H5*    G  28          2H5*        G  28   4.598  -8.601 -10.076
  123    H4*    G  28           H4*        G  28   6.947  -6.823 -10.614
  124    H3*    G  28           H3*        G  28   6.265  -8.787  -8.455
  125   1H2*    G  28          1H2*        G  28   7.391  -7.418  -6.844
  126   2HO*    G  28          2HO*        G  28   8.793  -5.827  -7.408
  127    H1*    G  28           H1*        G  28   6.334  -4.988  -7.723
  128    H8     G  28           H8         G  28   3.287  -6.679  -8.181
  129    H1     G  28           H1         G  28   4.891  -6.826  -1.956
  130   1H2     G  28           H21        G  28   8.076  -6.024  -3.081
  131   2H2     G  28           H22        G  28   7.036  -6.374  -1.719
  132   1H5*    C  29          1H5*        C  29  10.028  -8.538  -7.594
  133   2H5*    C  29          2H5*        C  29  10.900 -10.083  -7.650
  134    H4*    C  29           H4*        C  29  11.200  -9.238  -5.484
  135    H3*    C  29           H3*        C  29   9.199 -11.478  -5.533
  136   1H2*    C  29          1H2*        C  29   8.896 -11.227  -3.168
  137   2HO*    C  29          2HO*        C  29  11.163 -10.882  -2.715
  138    H1*    C  29           H1*        C  29   8.834  -8.420  -3.180
  139   1H4     C  29           H41        C  29   2.789 -10.241  -5.102
  140   2H4     C  29           H42        C  29   2.734 -10.236  -3.353
  141    H5     C  29           H5         C  29   4.837  -9.902  -6.358
  142    H6     C  29           H6         C  29   7.230  -9.470  -6.183
  143   1H5*    C  30          1H5*        C  30  11.791 -14.816  -2.112
  144   2H5*    C  30          2H5*        C  30  10.067 -14.882  -2.524
  145    H4*    C  30           H4*        C  30  11.376 -13.407  -0.251
  146    H3*    C  30           H3*        C  30  10.607 -15.970  -0.103
  147   1H2*    C  30          1H2*        C  30   8.320 -15.628  -0.843
  148   2HO*    C  30          2HO*        C  30   8.438 -16.482   1.419
  149    H1*    C  30           H1*        C  30   8.222 -13.156   0.965
  150   1H4     C  30           H41        C  30   3.407 -12.401  -3.507
  151   2H4     C  30           H42        C  30   2.604 -12.575  -1.962
  152    H5     C  30           H5         C  30   5.804 -12.653  -3.784
  153    H6     C  30           H6         C  30   7.905 -13.128  -2.636
  154   1H5*    U  31          1H5*        U  31   8.888 -18.721   2.583
  155   2H5*    U  31          2H5*        U  31  10.317 -18.403   3.586
  156    H4*    U  31           H4*        U  31  10.429 -20.568   2.479
  157    H3*    U  31           H3*        U  31  12.576 -18.947   2.711
  158   1H2*    U  31          1H2*        U  31  12.385 -17.903   0.534
  159   2HO*    U  31          2HO*        U  31  13.871 -20.313   0.203
  160    H1*    U  31           H1*        U  31  11.697 -20.666  -0.600
  161    H3     U  31           H3         U  31  12.107 -18.443  -4.578
  162    H5     U  31           H5         U  31   8.755 -16.749  -2.685
  163    H6     U  31           H6         U  31   9.354 -17.967  -0.696
  164   1H5*    G  32          1H5*        G  32  12.549 -19.119   5.400
  165   2H5*    G  32          2H5*        G  32  13.167 -20.567   6.221
  166    H4*    G  32           H4*        G  32  10.318 -19.602   6.050
  167    H3*    G  32           H3*        G  32  11.995 -18.740   7.924
  168   1H2*    G  32          1H2*        G  32  12.814 -20.915   8.627
  169   2HO*    G  32          2HO*        G  32  10.485 -20.804  10.234
  170    H1*    G  32           H1*        G  32   9.934 -21.946   8.623
  171    H8     G  32           H8         G  32  13.259 -22.967   6.936
  172    H1     G  32           H1         G  32  10.536 -27.388  10.731
  173   1H2     G  32           H21        G  32   8.190 -24.919  11.397
  174   2H2     G  32           H22        G  32   8.733 -26.556  11.684
  175   1H5*    G  33          1H5*        G  33   6.637 -17.456   8.561
  176   2H5*    G  33          2H5*        G  33   7.285 -19.104   8.675
  177    H4*    G  33           H4*        G  33   5.647 -17.996   6.397
  178    H3*    G  33           H3*        G  33   4.469 -18.651   8.718
  179   1H2*    G  33          1H2*        G  33   5.382 -20.886   8.906
  180   2HO*    G  33          2HO*        G  33   3.731 -22.321   8.113
  181    H1*    G  33           H1*        G  33   4.858 -21.273   5.913
  182    H8     G  33           H8         G  33   8.296 -21.432   7.383
  183    H1     G  33           H1         G  33   5.549 -27.197   6.627
  184   1H2     G  33           H21        G  33   2.658 -25.384   5.986
  185   2H2     G  33           H22        G  33   3.415 -26.955   6.130
  186   1H5*    G  34          1H5*        G  34  -0.441 -17.665   7.573
  187   2H5*    G  34          2H5*        G  34  -0.726 -17.849   5.831
  188    H4*    G  34           H4*        G  34  -0.975 -15.533   7.052
  189    H3*    G  34           H3*        G  34  -0.967 -16.120   4.420
  190   1H2*    G  34          1H2*        G  34   1.423 -15.993   4.088
  191   2HO*    G  34          2HO*        G  34   1.845 -13.796   3.325
  192    H1*    G  34           H1*        G  34   1.458 -13.528   5.908
  193    H8     G  34           H8         G  34   3.529 -15.022   3.584
  194    H1     G  34           H1         G  34   6.659 -14.830   9.199
  195   1H2     G  34           H21        G  34   3.516 -14.309  10.576
  196   2H2     G  34           H22        G  34   5.235 -14.490  10.845
  197   1H5*    A  35          1H5*        A  35  -4.485 -11.261   4.513
  198   2H5*    A  35          2H5*        A  35  -4.306 -12.582   3.343
  199    H4*    A  35           H4*        A  35  -1.918 -11.074   4.338
  200    H3*    A  35           H3*        A  35  -3.771  -9.504   3.207
  201   1H2*    A  35          1H2*        A  35  -4.109 -10.854   1.216
  202   2HO*    A  35          2HO*        A  35  -2.750  -9.838  -0.442
  203    H1*    A  35           H1*        A  35  -1.066 -11.162   1.048
  204    H8     A  35           H8         A  35  -3.922 -13.745   1.159
  205   1H6     A  35           H61        A  35  -3.136 -15.713  -3.223
  206   2H6     A  35           H62        A  35  -2.043 -15.326  -4.532
  207    H2     A  35           H2         A  35   0.345 -11.751  -3.223
  208   1H5*    G  36          1H5*        G  36  -0.804 -10.344   6.079
  209   2H5*    G  36          2H5*        G  36  -0.088  -8.914   6.849
  210    H4*    G  36           H4*        G  36   1.476 -10.643   7.081
  211    H3*    G  36           H3*        G  36   2.276  -8.651   4.992
  212   1H2*    G  36          1H2*        G  36   4.248  -9.938   4.515
  213   2HO*    G  36          2HO*        G  36   3.530 -11.833   6.499
  214    H1*    G  36           H1*        G  36   2.950 -12.371   4.330
  215    H8     G  36           H8         G  36   0.173 -10.753   2.965
  216    H1     G  36           H1         G  36   5.211  -9.802  -0.905
  217   1H2     G  36           H21        G  36   7.112 -10.776   1.824
  218   2H2     G  36           H22        G  36   7.083 -10.241   0.158
  219   1H5*    C  37          1H5*        C  37   5.526  -8.737   6.260
  220   2H5*    C  37          2H5*        C  37   6.210  -7.281   7.009
  221    H4*    C  37           H4*        C  37   7.658  -7.829   5.261
  222    H3*    C  37           H3*        C  37   5.881  -5.527   4.507
  223   1H2*    C  37          1H2*        C  37   6.916  -5.460   2.354
  224   2HO*    C  37          2HO*        C  37   9.063  -5.705   2.845
  225    H1*    C  37           H1*        C  37   7.053  -8.260   2.002
  226   1H4     C  37           H41        C  37   0.938  -6.566   0.182
  227   2H4     C  37           H42        C  37   1.917  -6.393  -1.258
  228    H5     C  37           H5         C  37   1.879  -7.072   2.362
  229    H6     C  37           H6         C  37   3.941  -7.521   3.587
  230   1H5*    U  38          1H5*        U  38   8.328  -1.535   3.210
  231   2H5*    U  38          2H5*        U  38   6.879  -2.399   2.658
  232    H4*    U  38           H4*        U  38   9.626  -2.481   1.416
  233    H3*    U  38           H3*        U  38   7.136  -1.014   0.613
  234   1H2*    U  38          1H2*        U  38   7.612  -1.505  -1.691
  235   2HO*    U  38          2HO*        U  38   9.632  -1.715  -2.282
  236    H1*    U  38           H1*        U  38   8.167  -4.190  -1.294
  237    H3     U  38           H3         U  38   3.964  -3.591  -3.142
  238    H5     U  38           H5         U  38   3.446  -3.835   1.024
  239    H6     U  38           H6         U  38   5.833  -3.653   1.260
  240   1H5*    C  39          1H5*        C  39   9.996   0.395  -1.950
  241   2H5*    C  39          2H5*        C  39   9.822   2.127  -2.294
  242    H4*    C  39           H4*        C  39   9.639   0.731  -4.299
  243    H3*    C  39           H3*        C  39   7.238   2.382  -3.538
  244   1H2*    C  39          1H2*        C  39   6.146   1.565  -5.509
  245   2HO*    C  39          2HO*        C  39   7.947   1.682  -6.924
  246    H1*    C  39           H1*        C  39   6.989  -1.099  -5.195
  247   1H4     C  39           H41        C  39   1.828  -0.524  -1.140
  248   2H4     C  39           H42        C  39   1.135  -0.860  -2.710
  249    H5     C  39           H5         C  39   4.183  -0.075  -0.810
  250    H6     C  39           H6         C  39   6.355   0.091  -1.909
  251   1H5*    U  40          1H5*        U  40   6.449   5.645  -7.810
  252   2H5*    U  40          2H5*        U  40   5.816   5.547  -6.155
  253    H4*    U  40           H4*        U  40   5.347   3.683  -8.467
  254    H3*    U  40           H3*        U  40   3.528   5.435  -6.834
  255   1H2*    U  40          1H2*        U  40   1.809   3.796  -7.061
  256   2HO*    U  40          2HO*        U  40   1.989   2.091  -8.579
  257    H1*    U  40           H1*        U  40   3.542   1.535  -6.863
  258    H3     U  40           H3         U  40   0.343   1.807  -3.464
  259    H5     U  40           H5         U  40   3.971   3.341  -2.003
  260    H6     U  40           H6         U  40   4.806   3.320  -4.262
  261   1H5*    C  41          1H5*        C  41  -0.250   7.092 -10.011
  262   2H5*    C  41          2H5*        C  41  -0.196   7.035  -8.238
  263    H4*    C  41           H4*        C  41  -1.567   5.255 -10.177
  264    H3*    C  41           H3*        C  41  -2.304   6.591  -7.602
  265   1H2*    C  41          1H2*        C  41  -3.834   4.813  -7.077
  266   2HO*    C  41          2HO*        C  41  -4.755   4.012  -8.851
  267    H1*    C  41           H1*        C  41  -2.018   2.804  -7.552
  268   1H4     C  41           H41        C  41   0.526   5.420  -2.094
  269   2H4     C  41           H42        C  41  -0.978   4.722  -1.537
  270    H5     C  41           H5         C  41   1.105   5.600  -4.445
  271    H6     C  41           H6         C  41   0.368   5.126  -6.721
  272   1H5*    U  42          1H5*        U  42  -7.169   6.817  -9.964
  273   2H5*    U  42          2H5*        U  42  -5.946   7.170  -8.729
  274    H4*    U  42           H4*        U  42  -7.928   4.901  -8.766
  275    H3*    U  42           H3*        U  42  -7.762   7.408  -7.124
  276   1H2*    U  42          1H2*        U  42  -8.554   6.177  -5.211
  277   2HO*    U  42          2HO*        U  42  -9.986   4.822  -6.631
  278    H1*    U  42           H1*        U  42  -6.815   4.044  -5.534
  279    H3     U  42           H3         U  42  -5.369   6.833  -2.147
  280    H5     U  42           H5         U  42  -3.390   8.053  -5.648
  281    H6     U  42           H6         U  42  -4.883   6.638  -6.898
  282   1H5*    G  43          1H5*        G  43 -11.233   6.108  -5.781
  283   2H5*    G  43          2H5*        G  43 -12.482   7.353  -5.973
  284    H4*    G  43           H4*        G  43 -12.423   6.725  -3.692
  285    H3*    G  43           H3*        G  43 -11.206   9.443  -4.148
  286   1H2*    G  43          1H2*        G  43 -10.918   9.604  -1.765
  287   2HO*    G  43          2HO*        G  43 -12.492   7.224  -1.658
  288    H1*    G  43           H1*        G  43  -9.964   6.972  -1.465
  289    H8     G  43           H8         G  43  -8.370   8.154  -4.566
  290    H1     G  43           H1         G  43  -5.763  10.763   0.701
  291   1H2     G  43           H21        G  43  -8.573   9.526   2.318
  292   2H2     G  43           H22        G  43  -7.067  10.407   2.441
  293   1H5*    G  44          1H5*        G  44 -13.983   9.642  -0.914
  294   2H5*    G  44          2H5*        G  44 -14.825  11.202  -0.949
  295    H4*    G  44           H4*        G  44 -13.674  10.673   1.193
  296    H3*    G  44           H3*        G  44 -12.965  13.202  -0.279
  297   1H2*    G  44          1H2*        G  44 -11.460  13.731   1.496
  298   2HO*    G  44          2HO*        G  44 -12.456  13.340   3.365
  299    H1*    G  44           H1*        G  44 -10.621  11.025   1.946
  300    H8     G  44           H8         G  44 -10.327  11.595  -1.674
  301    H1     G  44           H1         G  44  -5.615  14.430   1.661
  302   1H2     G  44           H21        G  44  -7.636  13.830   4.418
  303   2H2     G  44           H22        G  44  -6.137  14.486   3.801
  304   1H5*    C  45          1H5*        C  45 -13.958  17.124   2.737
  305   2H5*    C  45          2H5*        C  45 -12.625  16.703   1.642
  306    H4*    C  45           H4*        C  45 -12.677  16.411   4.643
  307    H3*    C  45           H3*        C  45 -11.394  18.455   2.868
  308   1H2*    C  45          1H2*        C  45  -9.442  18.449   4.263
  309   2HO*    C  45          2HO*        C  45 -10.000  18.268   6.327
  310    H1*    C  45           H1*        C  45  -9.250  15.681   4.487
  311   1H4     C  45           H41        C  45  -7.098  16.829  -1.635
  312   2H4     C  45           H42        C  45  -5.770  17.338  -0.617
  313    H5     C  45           H5         C  45  -9.263  16.190  -0.753
  314    H6     C  45           H6         C  45 -10.584  15.904   1.277
  315   1H5*    C  46          1H5*        C  46 -10.683  22.557   6.358
  316   2H5*    C  46          2H5*        C  46 -10.293  22.461   4.628
  317    H4*    C  46           H4*        C  46  -8.640  21.861   7.010
  318    H3*    C  46           H3*        C  46  -8.184  23.232   4.384
  319   1H2*    C  46          1H2*        C  46  -5.873  22.593   4.447
  320   2HO*    C  46          2HO*        C  46  -4.873  22.150   6.283
  321    H1*    C  46           H1*        C  46  -6.316  19.953   5.219
  322   1H4     C  46           H41        C  46  -7.965  19.908  -1.157
  323   2H4     C  46           H42        C  46  -6.216  19.952  -1.170
  324    H5     C  46           H5         C  46  -9.275  20.154   0.870
  325    H6     C  46           H6         C  46  -9.167  20.489   3.284
  326    H3T    C  46           H3T        C  46  -8.536  24.509   6.090
  327   1H    ARG  47          3H        ARG  47  -1.021  -1.843   3.099
  328   2H    ARG  47          2H        ARG  47  -0.997  -0.969   1.642
  329   3H    ARG  47          1H        ARG  47  -2.316  -1.974   2.010
  330    HA   ARG  47           HA       ARG  47  -0.977  -3.933   1.825
  331   1HB   ARG  47          2HB       ARG  47  -1.044  -1.931  -0.389
  332   2HB   ARG  47          1HB       ARG  47  -0.046  -3.366  -0.625
  333   1HG   ARG  47          2HG       ARG  47  -1.849  -4.754  -0.768
  334   2HG   ARG  47          1HG       ARG  47  -2.732  -3.895   0.494
  335   1HD   ARG  47          2HD       ARG  47  -3.788  -3.707  -1.777
  336   2HD   ARG  47          1HD       ARG  47  -3.379  -2.152  -1.056
  337    HE   ARG  47           HE       ARG  47  -1.182  -2.496  -2.524
  338   1HH1  ARG  47          1HH2      ARG  47  -4.308  -1.817  -3.345
  339   2HH1  ARG  47          2HH2      ARG  47  -4.190  -2.284  -5.009
  340   1HH2  ARG  47          1HH1      ARG  47  -1.063  -3.748  -4.645
  341   2HH2  ARG  47          2HH1      ARG  47  -2.342  -3.369  -5.747
   
  No H/Q in entry =         341
  Start of MODEL   15
    1   1H5*    G  16          1H5*        G  16   5.988  22.154  -4.135
    2   2H5*    G  16          2H5*        G  16   4.314  21.713  -4.510
    3    H4*    G  16           H4*        G  16   5.282  23.672  -2.439
    4    H3*    G  16           H3*        G  16   4.129  20.911  -2.217
    5   1H2*    G  16          1H2*        G  16   2.884  21.587  -0.283
    6   2HO*    G  16          2HO*        G  16   4.286  22.858   0.847
    7    H1*    G  16           H1*        G  16   2.003  24.018  -1.322
    8    H8     G  16           H8         G  16   2.007  21.656  -4.190
    9    H1     G  16           H1         G  16  -3.012  20.852  -0.250
   10   1H2     G  16           H21        G  16  -1.244  22.920   1.908
   11   2H2     G  16           H22        G  16  -2.686  21.972   1.622
   12    H5T    G  16           H5T        G  16   5.552  24.247  -4.871
   13   1H5*    G  17          1H5*        G  17   4.882  18.719   2.018
   14   2H5*    G  17          2H5*        G  17   3.704  18.709   0.691
   15    H4*    G  17           H4*        G  17   3.519  20.354   3.214
   16    H3*    G  17           H3*        G  17   2.296  17.701   2.542
   17   1H2*    G  17          1H2*        G  17   0.233  18.397   3.560
   18   2HO*    G  17          2HO*        G  17   0.165  19.943   5.033
   19    H1*    G  17           H1*        G  17   0.147  20.896   2.354
   20    H8     G  17           H8         G  17   1.624  19.109  -0.405
   21    H1     G  17           H1         G  17  -4.451  17.233   0.560
   22   1H2     G  17           H21        G  17  -4.130  18.832   3.624
   23   2H2     G  17           H22        G  17  -5.150  17.921   2.531
   24   1H5*    C  18          1H5*        C  18   1.145  18.381   6.352
   25   2H5*    C  18          2H5*        C  18   1.482  17.003   7.418
   26    H4*    C  18           H4*        C  18  -0.842  17.660   7.555
   27    H3*    C  18           H3*        C  18  -0.293  14.947   6.386
   28   1H2*    C  18          1H2*        C  18  -2.637  14.625   6.100
   29   2HO*    C  18          2HO*        C  18  -3.469  15.312   8.025
   30    H1*    C  18           H1*        C  18  -3.217  17.311   5.351
   31   1H4     C  18           H41        C  18  -1.608  14.208  -0.241
   32   2H4     C  18           H42        C  18  -3.328  13.950  -0.049
   33    H5     C  18           H5         C  18  -0.235  15.266   1.458
   34    H6     C  18           H6         C  18  -0.240  16.273   3.683
   35   1H5*    C  19          1H5*        C  19  -1.549  11.224   8.673
   36   2H5*    C  19          2H5*        C  19  -1.726  11.024   6.919
   37    H4*    C  19           H4*        C  19  -3.667  11.986   8.952
   38    H3*    C  19           H3*        C  19  -3.753  10.052   6.670
   39   1H2*    C  19          1H2*        C  19  -6.063  10.589   6.263
   40   2HO*    C  19          2HO*        C  19  -7.296  11.690   7.702
   41    H1*    C  19           H1*        C  19  -5.748  13.326   6.336
   42   1H4     C  19           H41        C  19  -2.757  11.656   0.691
   43   2H4     C  19           H42        C  19  -4.462  11.665   0.302
   44    H5     C  19           H5         C  19  -1.917  11.937   2.946
   45    H6     C  19           H6         C  19  -2.543  12.288   5.277
   46   1H5*    A  20          1H5*        A  20  -7.246   9.224   8.068
   47   2H5*    A  20          2H5*        A  20  -7.317   7.540   8.625
   48    H4*    A  20           H4*        A  20  -9.121   7.885   7.133
   49    H3*    A  20           H3*        A  20  -6.927   6.203   5.954
   50   1H2*    A  20          1H2*        A  20  -8.224   6.002   3.947
   51   2HO*    A  20          2HO*        A  20 -10.328   7.355   5.321
   52    H1*    A  20           H1*        A  20  -8.976   8.701   3.836
   53    H8     A  20           H8         A  20  -5.562   9.191   4.860
   54   1H6     A  20           H61        A  20  -3.191   8.337   0.697
   55   2H6     A  20           H62        A  20  -3.656   7.590  -0.816
   56    H2     A  20           H2         A  20  -7.950   6.342  -0.388
   57   1H5*    G  21          1H5*        G  21 -10.363   4.171   5.113
   58   2H5*    G  21          2H5*        G  21 -10.194   2.421   5.348
   59    H4*    G  21           H4*        G  21 -10.878   2.987   3.078
   60    H3*    G  21           H3*        G  21  -8.207   1.639   3.400
   61   1H2*    G  21          1H2*        G  21  -8.002   1.642   1.006
   62   2HO*    G  21          2HO*        G  21 -10.698   2.586   0.962
   63    H1*    G  21           H1*        G  21  -8.908   4.279   0.679
   64    H8     G  21           H8         G  21  -6.786   4.300   3.722
   65    H1     G  21           H1         G  21  -3.386   4.079  -1.731
   66   1H2     G  21           H21        G  21  -6.426   3.316  -3.217
   67   2H2     G  21           H22        G  21  -4.710   3.583  -3.420
   68   1H5*    A  22          1H5*        A  22  -9.894  -2.330  -0.412
   69   2H5*    A  22          2H5*        A  22  -8.313  -1.936   0.291
   70    H4*    A  22           H4*        A  22  -9.820  -0.377  -1.806
   71    H3*    A  22           H3*        A  22  -7.451  -2.203  -1.994
   72   1H2*    A  22          1H2*        A  22  -6.401  -0.718  -3.533
   73   2HO*    A  22          2HO*        A  22  -7.545   0.476  -4.870
   74    H1*    A  22           H1*        A  22  -7.220   1.688  -2.293
   75    H8     A  22           H8         A  22  -6.111   0.120   0.678
   76   1H6     A  22           H61        A  22  -1.279   0.391   0.211
   77   2H6     A  22           H62        A  22  -0.220   0.668  -1.154
   78    H2     A  22           H2         A  22  -2.851   1.176  -4.758
   79   1H5*    U  23          1H5*        U  23  -6.564  -1.425  -5.365
   80   2H5*    U  23          2H5*        U  23  -8.210  -1.827  -5.887
   81    H4*    U  23           H4*        U  23  -6.853  -1.985  -7.780
   82    H3*    U  23           H3*        U  23  -8.299  -4.194  -7.120
   83   1H2*    U  23          1H2*        U  23  -6.481  -5.421  -6.111
   84   2HO*    U  23          2HO*        U  23  -7.181  -6.667  -7.918
   85    H1*    U  23           H1*        U  23  -4.678  -4.311  -8.338
   86    H3     U  23           H3         U  23  -1.032  -6.405  -6.801
   87    H5     U  23           H5         U  23  -3.045  -5.356  -3.259
   88    H6     U  23           H6         U  23  -4.827  -4.480  -4.626
   89   1H5*    U  25          1H5*        U  25 -10.942  -1.297  -7.614
   90   2H5*    U  25          2H5*        U  25 -11.112  -1.841  -9.294
   91    H4*    U  25           H4*        U  25  -9.684  -0.182 -10.103
   92    H3*    U  25           H3*        U  25  -8.105  -0.322  -7.880
   93   1H2*    U  25          1H2*        U  25  -9.577   0.972  -6.457
   94   2HO*    U  25          2HO*        U  25  -7.988   2.833  -7.923
   95    H1*    U  25           H1*        U  25 -10.087   2.701  -8.941
   96    H3     U  25           H3         U  25 -13.142   5.441  -7.188
   97    H5     U  25           H5         U  25 -13.348   2.112  -4.629
   98    H6     U  25           H6         U  25 -11.660   1.056  -5.985
   99   1H5*    G  26          1H5*        G  26  -6.098  -0.672 -11.245
  100   2H5*    G  26          2H5*        G  26  -5.777  -2.201 -10.405
  101    H4*    G  26           H4*        G  26  -3.953  -0.639 -11.744
  102    H3*    G  26           H3*        G  26  -3.634  -2.948  -9.870
  103   1H2*    G  26          1H2*        G  26  -1.287  -2.497  -9.694
  104   2HO*    G  26          2HO*        G  26  -0.744  -2.047 -11.806
  105    H1*    G  26           H1*        G  26  -1.494   0.271  -9.486
  106    H8     G  26           H8         G  26  -4.350  -0.948  -7.506
  107    H1     G  26           H1         G  26   1.274  -1.672  -4.485
  108   1H2     G  26           H21        G  26   2.658  -0.953  -7.587
  109   2H2     G  26           H22        G  26   2.929  -1.343  -5.903
  110   1H5*    A  27          1H5*        A  27  -0.035  -5.824 -12.132
  111   2H5*    A  27          2H5*        A  27  -0.290  -5.550 -10.398
  112    H4*    A  27           H4*        A  27   1.687  -4.202 -12.226
  113    H3*    A  27           H3*        A  27   2.007  -6.194 -10.012
  114   1H2*    A  27          1H2*        A  27   4.006  -5.074  -9.283
  115   2HO*    A  27          2HO*        A  27   5.078  -3.642 -10.527
  116    H1*    A  27           H1*        A  27   2.945  -2.520  -9.352
  117    H8     A  27           H8         A  27  -0.038  -4.423  -8.421
  118   1H6     A  27           H61        A  27   0.746  -5.036  -3.677
  119   2H6     A  27           H62        A  27   2.132  -4.780  -2.641
  120    H2     A  27           H2         A  27   5.454  -3.279  -5.264
  121   1H5*    G  28          1H5*        G  28   6.860  -6.375 -12.086
  122   2H5*    G  28          2H5*        G  28   6.705  -8.023 -11.448
  123    H4*    G  28           H4*        G  28   8.502  -6.265 -10.558
  124    H3*    G  28           H3*        G  28   7.145  -8.460  -9.009
  125   1H2*    G  28          1H2*        G  28   8.401  -7.726  -7.074
  126   2HO*    G  28          2HO*        G  28   9.636  -5.794  -8.771
  127    H1*    G  28           H1*        G  28   7.764  -5.046  -7.418
  128    H8     G  28           H8         G  28   4.831  -7.061  -8.605
  129    H1     G  28           H1         G  28   5.102  -6.439  -2.215
  130   1H2     G  28           H21        G  28   8.282  -5.174  -2.784
  131   2H2     G  28           H22        G  28   7.045  -5.592  -1.619
  132   1H5*    C  29          1H5*        C  29   9.914 -12.748  -9.068
  133   2H5*    C  29          2H5*        C  29   8.563 -11.700  -8.594
  134    H4*    C  29           H4*        C  29  11.480 -11.056  -8.193
  135    H3*    C  29           H3*        C  29   9.542 -12.365  -6.314
  136   1H2*    C  29          1H2*        C  29  10.498 -11.064  -4.489
  137   2HO*    C  29          2HO*        C  29  12.519 -10.455  -4.777
  138    H1*    C  29           H1*        C  29  10.069  -8.696  -5.778
  139   1H4     C  29           H41        C  29   3.752 -10.162  -5.236
  140   2H4     C  29           H42        C  29   4.259 -10.297  -3.570
  141    H5     C  29           H5         C  29   5.301  -9.976  -7.079
  142    H6     C  29           H6         C  29   7.654  -9.828  -7.691
  143   1H5*    C  30          1H5*        C  30  14.958 -11.074  -5.150
  144   2H5*    C  30          2H5*        C  30  15.174 -12.545  -4.187
  145    H4*    C  30           H4*        C  30  15.336 -10.935  -2.609
  146    H3*    C  30           H3*        C  30  13.087 -12.423  -2.245
  147   1H2*    C  30          1H2*        C  30  11.545 -10.764  -3.071
  148   2HO*    C  30          2HO*        C  30  12.080 -10.028  -0.373
  149    H1*    C  30           H1*        C  30  13.320  -8.660  -1.727
  150   1H4     C  30           H41        C  30   8.874  -5.384  -5.264
  151   2H4     C  30           H42        C  30  10.345  -4.763  -5.978
  152    H5     C  30           H5         C  30   8.848  -7.251  -3.709
  153    H6     C  30           H6         C  30  10.243  -8.813  -2.458
  154   1H5*    U  31          1H5*        U  31  11.851 -13.869  -1.553
  155   2H5*    U  31          2H5*        U  31  11.770 -14.736  -0.008
  156    H4*    U  31           H4*        U  31  11.895 -16.198  -1.999
  157    H3*    U  31           H3*        U  31  13.039 -16.746   0.389
  158   1H2*    U  31          1H2*        U  31  15.239 -15.891  -0.134
  159   2HO*    U  31          2HO*        U  31  15.956 -17.872   0.296
  160    H1*    U  31           H1*        U  31  14.943 -17.137  -2.919
  161    H3     U  31           H3         U  31  19.193 -15.884  -3.740
  162    H5     U  31           H5         U  31  17.342 -12.337  -2.449
  163    H6     U  31           H6         U  31  15.373 -13.631  -1.951
  164   1H5*    G  32          1H5*        G  32  14.656 -21.150  -0.635
  165   2H5*    G  32          2H5*        G  32  14.144 -20.341  -2.130
  166    H4*    G  32           H4*        G  32  12.724 -22.349  -2.606
  167    H3*    G  32           H3*        G  32  13.165 -23.266  -0.078
  168   1H2*    G  32          1H2*        G  32  15.522 -23.722  -0.368
  169   2HO*    G  32          2HO*        G  32  15.567 -26.032  -1.210
  170    H1*    G  32           H1*        G  32  14.817 -24.720  -3.184
  171    H8     G  32           H8         G  32  17.336 -22.031  -2.258
  172    H1     G  32           H1         G  32  19.919 -27.631  -4.085
  173   1H2     G  32           H21        G  32  16.658 -28.817  -3.952
  174   2H2     G  32           H22        G  32  18.343 -29.162  -4.271
  175   1H5*    G  33          1H5*        G  33  10.350 -21.633  -0.410
  176   2H5*    G  33          2H5*        G  33   8.807 -22.126  -1.133
  177    H4*    G  33           H4*        G  33   9.758 -19.789  -1.638
  178    H3*    G  33           H3*        G  33   7.901 -21.161  -3.014
  179   1H2*    G  33          1H2*        G  33   9.414 -22.341  -4.486
  180   2HO*    G  33          2HO*        G  33   9.312 -21.282  -6.469
  181    H1*    G  33           H1*        G  33  11.034 -19.759  -4.787
  182    H8     G  33           H8         G  33  11.208 -23.608  -4.412
  183    H1     G  33           H1         G  33  16.033 -20.860  -7.659
  184   1H2     G  33           H21        G  33  14.459 -17.873  -6.852
  185   2H2     G  33           H22        G  33  15.795 -18.669  -7.653
  186   1H5*    G  34          1H5*        G  34   8.464 -18.071  -0.789
  187   2H5*    G  34          2H5*        G  34   8.388 -19.650   0.018
  188    H4*    G  34           H4*        G  34   6.290 -19.056   1.059
  189    H3*    G  34           H3*        G  34   5.715 -17.232  -0.833
  190   1H2*    G  34          1H2*        G  34   7.470 -15.663  -0.300
  191   2HO*    G  34          2HO*        G  34   6.467 -13.974   0.716
  192    H1*    G  34           H1*        G  34   6.903 -16.121   2.675
  193    H8     G  34           H8         G  34   8.266 -13.538   1.418
  194    H1     G  34           H1         G  34  13.350 -16.930   3.425
  195   1H2     G  34           H21        G  34  11.161 -19.624   3.411
  196   2H2     G  34           H22        G  34  12.783 -19.041   3.706
  197   1H5*    A  35          1H5*        A  35   2.248 -15.890  -1.645
  198   2H5*    A  35          2H5*        A  35   3.875 -15.984  -0.948
  199    H4*    A  35           H4*        A  35   2.930 -15.299   1.233
  200    H3*    A  35           H3*        A  35   0.444 -15.908   0.518
  201   1H2*    A  35          1H2*        A  35   0.300 -14.407  -1.384
  202   2HO*    A  35          2HO*        A  35  -0.740 -12.407  -0.447
  203    H1*    A  35           H1*        A  35   1.561 -12.205   0.323
  204    H8     A  35           H8         A  35   2.812 -13.748  -2.952
  205   1H6     A  35           H61        A  35   2.148  -9.846  -5.786
  206   2H6     A  35           H62        A  35   1.410  -8.283  -5.518
  207    H2     A  35           H2         A  35  -0.045  -8.239  -1.268
  208   1H5*    G  36          1H5*        G  36   2.004 -13.652   5.323
  209   2H5*    G  36          2H5*        G  36   1.998 -13.035   3.658
  210    H4*    G  36           H4*        G  36   4.353 -14.104   5.209
  211    H3*    G  36           H3*        G  36   3.550 -11.308   4.468
  212   1H2*    G  36          1H2*        G  36   5.850 -10.774   4.032
  213   2HO*    G  36          2HO*        G  36   6.830 -11.871   5.752
  214    H1*    G  36           H1*        G  36   6.422 -13.086   2.595
  215    H8     G  36           H8         G  36   2.896 -11.681   2.138
  216    H1     G  36           H1         G  36   7.301  -9.475  -1.999
  217   1H2     G  36           H21        G  36   9.555 -11.228  -0.033
  218   2H2     G  36           H22        G  36   9.290 -10.216  -1.436
  219   1H5*    C  37          1H5*        C  37   5.229  -7.631   6.686
  220   2H5*    C  37          2H5*        C  37   4.420  -8.129   5.186
  221    H4*    C  37           H4*        C  37   7.405  -7.995   5.601
  222    H3*    C  37           H3*        C  37   5.538  -5.933   4.485
  223   1H2*    C  37          1H2*        C  37   7.111  -5.445   2.743
  224   2HO*    C  37          2HO*        C  37   9.038  -5.508   3.903
  225    H1*    C  37           H1*        C  37   7.731  -8.098   2.142
  226   1H4     C  37           H41        C  37   1.863  -7.242  -0.725
  227   2H4     C  37           H42        C  37   2.971  -6.380  -1.769
  228    H5     C  37           H5         C  37   2.526  -8.183   1.409
  229    H6     C  37           H6         C  37   4.386  -8.504   2.956
  230   1H5*    U  38          1H5*        U  38   7.484  -1.455   4.227
  231   2H5*    U  38          2H5*        U  38   6.181  -2.352   3.423
  232    H4*    U  38           H4*        U  38   9.036  -2.042   2.503
  233    H3*    U  38           H3*        U  38   6.480  -0.791   1.560
  234   1H2*    U  38          1H2*        U  38   7.234  -0.987  -0.717
  235   2HO*    U  38          2HO*        U  38   9.444  -0.498  -0.384
  236    H1*    U  38           H1*        U  38   8.035  -3.629  -0.511
  237    H3     U  38           H3         U  38   3.939  -3.269  -2.648
  238    H5     U  38           H5         U  38   3.134  -3.956   1.424
  239    H6     U  38           H6         U  38   5.476  -3.619   1.869
  240   1H5*    C  39          1H5*        C  39   8.196   3.392  -1.322
  241   2H5*    C  39          2H5*        C  39   6.631   2.588  -1.094
  242    H4*    C  39           H4*        C  39   8.826   1.954  -3.035
  243    H3*    C  39           H3*        C  39   5.952   2.758  -3.340
  244   1H2*    C  39          1H2*        C  39   5.791   1.365  -5.298
  245   2HO*    C  39          2HO*        C  39   7.534   0.583  -6.332
  246    H1*    C  39           H1*        C  39   6.918  -0.863  -4.125
  247   1H4     C  39           H41        C  39   1.091  -0.543  -1.077
  248   2H4     C  39           H42        C  39   0.677  -1.022  -2.708
  249    H5     C  39           H5         C  39   3.328   0.131  -0.430
  250    H6     C  39           H6         C  39   5.616   0.464  -1.212
  251   1H5*    U  40          1H5*        U  40   6.500   3.791  -7.014
  252   2H5*    U  40          2H5*        U  40   5.603   5.285  -7.350
  253    H4*    U  40           H4*        U  40   4.661   3.179  -8.340
  254    H3*    U  40           H3*        U  40   2.945   4.966  -6.627
  255   1H2*    U  40          1H2*        U  40   1.113   3.470  -7.052
  256   2HO*    U  40          2HO*        U  40   1.041   2.257  -8.800
  257    H1*    U  40           H1*        U  40   2.617   1.122  -6.693
  258    H3     U  40           H3         U  40  -0.459   1.742  -3.288
  259    H5     U  40           H5         U  40   3.164   3.437  -1.999
  260    H6     U  40           H6         U  40   4.004   3.164  -4.239
  261   1H5*    C  41          1H5*        C  41   0.543   4.218 -10.072
  262   2H5*    C  41          2H5*        C  41  -0.355   5.708 -10.421
  263    H4*    C  41           H4*        C  41  -1.759   3.698  -9.971
  264    H3*    C  41           H3*        C  41  -2.129   6.193  -8.331
  265   1H2*    C  41          1H2*        C  41  -3.867   5.088  -7.121
  266   2HO*    C  41          2HO*        C  41  -5.117   3.963  -8.437
  267    H1*    C  41           H1*        C  41  -2.583   2.555  -7.026
  268   1H4     C  41           H41        C  41  -0.169   5.681  -1.783
  269   2H4     C  41           H42        C  41  -1.744   5.122  -1.264
  270    H5     C  41           H5         C  41   0.584   5.556  -4.084
  271    H6     C  41           H6         C  41  -0.012   4.845  -6.340
  272   1H5*    U  42          1H5*        U  42  -7.531   6.474  -9.876
  273   2H5*    U  42          2H5*        U  42  -6.804   7.478  -8.607
  274    H4*    U  42           H4*        U  42  -8.320   4.947  -8.422
  275    H3*    U  42           H3*        U  42  -8.206   7.496  -6.847
  276   1H2*    U  42          1H2*        U  42  -8.865   6.307  -4.869
  277   2HO*    U  42          2HO*        U  42  -9.260   4.065  -6.595
  278    H1*    U  42           H1*        U  42  -7.112   4.177  -5.211
  279    H3     U  42           H3         U  42  -5.712   7.152  -1.921
  280    H5     U  42           H5         U  42  -3.628   8.085  -5.449
  281    H6     U  42           H6         U  42  -5.144   6.644  -6.639
  282   1H5*    G  43          1H5*        G  43 -11.435   5.930  -4.975
  283   2H5*    G  43          2H5*        G  43 -12.780   6.984  -5.457
  284    H4*    G  43           H4*        G  43 -12.901   6.856  -3.134
  285    H3*    G  43           H3*        G  43 -11.665   9.458  -3.986
  286   1H2*    G  43          1H2*        G  43 -11.428  10.066  -1.683
  287   2HO*    G  43          2HO*        G  43 -13.103   7.813  -1.175
  288    H1*    G  43           H1*        G  43 -10.564   7.534  -0.802
  289    H8     G  43           H8         G  43  -8.899   8.205  -4.065
  290    H1     G  43           H1         G  43  -6.157  11.268   0.878
  291   1H2     G  43           H21        G  43  -9.020  10.370   2.619
  292   2H2     G  43           H22        G  43  -7.471  11.182   2.643
  293   1H5*    G  44          1H5*        G  44 -14.322  13.226  -1.786
  294   2H5*    G  44          2H5*        G  44 -12.663  12.908  -2.333
  295    H4*    G  44           H4*        G  44 -13.740  12.245   0.406
  296    H3*    G  44           H3*        G  44 -12.310  14.719  -0.519
  297   1H2*    G  44          1H2*        G  44 -11.012  14.704   1.479
  298   2HO*    G  44          2HO*        G  44 -12.950  12.837   2.412
  299    H1*    G  44           H1*        G  44 -10.695  11.887   1.623
  300    H8     G  44           H8         G  44  -9.788  12.166  -1.769
  301    H1     G  44           H1         G  44  -5.523  15.311   1.875
  302   1H2     G  44           H21        G  44  -7.990  15.182   4.315
  303   2H2     G  44           H22        G  44  -6.378  15.699   3.869
  304   1H5*    C  45          1H5*        C  45 -12.770  18.510  -0.410
  305   2H5*    C  45          2H5*        C  45 -12.160  16.851  -0.266
  306    H4*    C  45           H4*        C  45 -12.707  18.110   2.306
  307    H3*    C  45           H3*        C  45 -10.870  19.567   0.443
  308   1H2*    C  45          1H2*        C  45  -9.259  19.802   2.212
  309   2HO*    C  45          2HO*        C  45 -10.764  20.198   3.916
  310    H1*    C  45           H1*        C  45  -9.382  17.165   3.067
  311   1H4     C  45           H41        C  45  -6.094  16.682  -2.629
  312   2H4     C  45           H42        C  45  -4.945  17.456  -1.561
  313    H5     C  45           H5         C  45  -8.401  16.274  -2.010
  314    H6     C  45           H6         C  45 -10.063  16.512  -0.240
  315   1H5*    C  46          1H5*        C  46 -10.406  24.298   3.097
  316   2H5*    C  46          2H5*        C  46  -9.632  23.770   1.590
  317    H4*    C  46           H4*        C  46  -8.699  23.593   4.398
  318    H3*    C  46           H3*        C  46  -7.446  24.335   1.778
  319   1H2*    C  46          1H2*        C  46  -5.320  23.554   2.572
  320   2HO*    C  46          2HO*        C  46  -4.998  22.983   4.731
  321    H1*    C  46           H1*        C  46  -6.268  21.173   3.655
  322   1H4     C  46           H41        C  46  -6.349  20.011  -2.834
  323   2H4     C  46           H42        C  46  -4.677  19.794  -2.368
  324    H5     C  46           H5         C  46  -8.041  20.858  -1.317
  325    H6     C  46           H6         C  46  -8.466  21.666   0.945
  326    H3T    C  46           H3T        C  46  -7.801  26.050   2.885
  327   1H    ARG  47          3H        ARG  47   0.665  -6.911   0.938
  328   2H    ARG  47          2H        ARG  47   1.160  -5.331   0.556
  329   3H    ARG  47          1H        ARG  47   0.618  -5.697   2.123
  330    HA   ARG  47           HA       ARG  47  -1.601  -6.089   1.344
  331   1HB   ARG  47          2HB       ARG  47  -0.845  -3.741   1.852
  332   2HB   ARG  47          1HB       ARG  47  -0.533  -3.524   0.129
  333   1HG   ARG  47          2HG       ARG  47  -3.134  -4.626   0.326
  334   2HG   ARG  47          1HG       ARG  47  -3.045  -3.352   1.545
  335   1HD   ARG  47          2HD       ARG  47  -2.331  -1.738  -0.119
  336   2HD   ARG  47          1HD       ARG  47  -2.217  -2.998  -1.349
  337    HE   ARG  47           HE       ARG  47  -4.792  -2.095  -0.125
  338   1HH1  ARG  47          1HH1      ARG  47  -5.815  -4.301  -1.180
  339   2HH1  ARG  47          2HH1      ARG  47  -5.869  -4.138  -2.902
  340   1HH2  ARG  47          1HH2      ARG  47  -3.599  -1.511  -2.985
  341   2HH2  ARG  47          2HH2      ARG  47  -4.628  -2.533  -3.926
   
  No H/Q in entry =         341
  Start of MODEL   16
    1   1H5*    G  16          1H5*        G  16   7.450  14.783  -6.087
    2   2H5*    G  16          2H5*        G  16   5.723  15.168  -6.157
    3    H4*    G  16           H4*        G  16   7.870  16.519  -4.543
    4    H3*    G  16           H3*        G  16   5.528  14.802  -3.794
    5   1H2*    G  16          1H2*        G  16   5.145  16.164  -1.859
    6   2HO*    G  16          2HO*        G  16   7.337  16.456  -1.251
    7    H1*    G  16           H1*        G  16   5.480  18.618  -3.143
    8    H8     G  16           H8         G  16   3.778  16.446  -5.622
    9    H1     G  16           H1         G  16  -0.175  18.631  -1.046
   10   1H2     G  16           H21        G  16   2.744  19.566   0.585
   11   2H2     G  16           H22        G  16   0.995  19.509   0.604
   12    H5T    G  16           H5T        G  16   7.831  16.281  -7.498
   13   1H5*    G  17          1H5*        G  17   6.159  12.930   0.835
   14   2H5*    G  17          2H5*        G  17   4.785  13.210  -0.254
   15    H4*    G  17           H4*        G  17   5.875  15.038   1.875
   16    H3*    G  17           H3*        G  17   3.348  13.439   1.673
   17   1H2*    G  17          1H2*        G  17   2.135  15.235   2.726
   18   2HO*    G  17          2HO*        G  17   3.128  16.874   3.773
   19    H1*    G  17           H1*        G  17   3.179  17.237   1.131
   20    H8     G  17           H8         G  17   3.216  14.793  -1.462
   21    H1     G  17           H1         G  17  -2.840  16.054   0.296
   22   1H2     G  17           H21        G  17  -1.397  17.475   3.114
   23   2H2     G  17           H22        G  17  -2.863  17.085   2.242
   24   1H5*    C  18          1H5*        C  18   2.795  14.983   5.196
   25   2H5*    C  18          2H5*        C  18   2.707  13.717   6.436
   26    H4*    C  18           H4*        C  18   0.807  15.116   6.674
   27    H3*    C  18           H3*        C  18   0.137  12.420   5.520
   28   1H2*    C  18          1H2*        C  18  -2.171  13.075   5.497
   29   2HO*    C  18          2HO*        C  18  -2.910  14.470   6.911
   30    H1*    C  18           H1*        C  18  -1.697  15.674   4.523
   31   1H4     C  18           H41        C  18  -1.497  11.795  -0.809
   32   2H4     C  18           H42        C  18  -3.194  12.146  -0.567
   33    H5     C  18           H5         C  18   0.224  12.460   0.763
   34    H6     C  18           H6         C  18   0.659  13.580   2.886
   35   1H5*    C  19          1H5*        C  19  -2.658  13.022   8.473
   36   2H5*    C  19          2H5*        C  19  -2.902  11.542   9.422
   37    H4*    C  19           H4*        C  19  -4.986  12.337   8.468
   38    H3*    C  19           H3*        C  19  -3.990   9.686   7.446
   39   1H2*    C  19          1H2*        C  19  -5.931   9.549   6.070
   40   2HO*    C  19          2HO*        C  19  -7.447  10.187   7.660
   41    H1*    C  19           H1*        C  19  -6.035  12.341   5.455
   42   1H4     C  19           H41        C  19  -2.234   9.565   0.826
   43   2H4     C  19           H42        C  19  -3.856   9.578   0.167
   44    H5     C  19           H5         C  19  -1.733  10.240   3.105
   45    H6     C  19           H6         C  19  -2.689  11.049   5.201
   46   1H5*    A  20          1H5*        A  20  -6.174   5.889   8.634
   47   2H5*    A  20          2H5*        A  20  -5.330   5.727   7.081
   48    H4*    A  20           H4*        A  20  -8.110   6.507   7.683
   49    H3*    A  20           H3*        A  20  -6.754   4.895   5.552
   50   1H2*    A  20          1H2*        A  20  -8.531   5.435   4.019
   51   2HO*    A  20          2HO*        A  20 -10.461   5.946   4.741
   52    H1*    A  20           H1*        A  20  -8.499   8.146   4.524
   53    H8     A  20           H8         A  20  -4.981   7.710   5.060
   54   1H6     A  20           H61        A  20  -3.351   7.161   0.510
   55   2H6     A  20           H62        A  20  -4.141   6.822  -1.013
   56    H2     A  20           H2         A  20  -8.531   6.443  -0.152
   57   1H5*    G  21          1H5*        G  21 -10.306   3.777   4.837
   58   2H5*    G  21          2H5*        G  21 -10.532   2.018   4.904
   59    H4*    G  21           H4*        G  21 -11.235   2.779   2.768
   60    H3*    G  21           H3*        G  21  -8.641   1.257   2.683
   61   1H2*    G  21          1H2*        G  21  -8.662   1.519   0.284
   62   2HO*    G  21          2HO*        G  21 -11.236   2.709   0.636
   63    H1*    G  21           H1*        G  21  -9.247   4.237   0.355
   64    H8     G  21           H8         G  21  -7.124   3.820   3.323
   65    H1     G  21           H1         G  21  -3.773   3.434  -2.149
   66   1H2     G  21           H21        G  21  -6.880   3.111  -3.657
   67   2H2     G  21           H22        G  21  -5.143   3.175  -3.853
   68   1H5*    A  22          1H5*        A  22 -11.063  -0.105  -0.437
   69   2H5*    A  22          2H5*        A  22 -10.917  -1.863  -0.624
   70    H4*    A  22           H4*        A  22 -10.401  -0.520  -2.664
   71    H3*    A  22           H3*        A  22  -8.394  -2.474  -1.572
   72   1H2*    A  22          1H2*        A  22  -6.904  -1.877  -3.338
   73   2HO*    A  22          2HO*        A  22  -8.170  -1.867  -5.125
   74    H1*    A  22           H1*        A  22  -7.574   0.896  -3.368
   75    H8     A  22           H8         A  22  -6.963  -0.208   0.152
   76   1H6     A  22           H61        A  22  -2.166   0.599   0.340
   77   2H6     A  22           H62        A  22  -0.960   0.935  -0.881
   78    H2     A  22           H2         A  22  -3.078   0.952  -4.838
   79   1H5*    U  23          1H5*        U  23  -8.496  -5.397  -5.901
   80   2H5*    U  23          2H5*        U  23  -6.904  -5.654  -5.158
   81    H4*    U  23           H4*        U  23  -7.529  -3.257  -6.859
   82    H3*    U  23           H3*        U  23  -7.694  -5.648  -8.078
   83   1H2*    U  23          1H2*        U  23  -5.547  -6.505  -7.383
   84   2HO*    U  23          2HO*        U  23  -4.306  -6.461  -9.188
   85    H1*    U  23           H1*        U  23  -4.334  -3.747  -7.926
   86    H3     U  23           H3         U  23  -0.492  -6.075  -7.017
   87    H5     U  23           H5         U  23  -2.610  -5.917  -3.387
   88    H6     U  23           H6         U  23  -4.495  -5.051  -4.609
   89   1H5*    U  25          1H5*        U  25 -10.948  -2.182  -8.237
   90   2H5*    U  25          2H5*        U  25 -10.516  -1.913  -9.937
   91    H4*    U  25           H4*        U  25  -9.355   0.096  -9.398
   92    H3*    U  25           H3*        U  25  -8.818  -0.802  -6.876
   93   1H2*    U  25          1H2*        U  25 -11.039  -0.439  -6.001
   94   2HO*    U  25          2HO*        U  25  -9.674   2.061  -5.840
   95    H1*    U  25           H1*        U  25 -11.076   2.108  -7.711
   96    H3     U  25           H3         U  25 -15.008   3.313  -5.873
   97    H5     U  25           H5         U  25 -15.632  -0.695  -6.987
   98    H6     U  25           H6         U  25 -13.304  -0.812  -7.595
   99   1H5*    G  26          1H5*        G  26  -6.523  -1.551 -10.324
  100   2H5*    G  26          2H5*        G  26  -5.972  -1.654  -8.641
  101    H4*    G  26           H4*        G  26  -4.807   0.011 -10.867
  102    H3*    G  26           H3*        G  26  -3.841  -2.485  -9.514
  103   1H2*    G  26          1H2*        G  26  -1.593  -1.642  -9.575
  104   2HO*    G  26          2HO*        G  26  -1.671  -0.691 -11.660
  105    H1*    G  26           H1*        G  26  -2.210   0.903  -8.680
  106    H8     G  26           H8         G  26  -4.535  -1.525  -6.997
  107    H1     G  26           H1         G  26   1.274  -1.094  -4.283
  108   1H2     G  26           H21        G  26   2.121   0.641  -7.169
  109   2H2     G  26           H22        G  26   2.639   0.000  -5.626
  110   1H5*    A  27          1H5*        A  27  -0.097  -4.447 -12.103
  111   2H5*    A  27          2H5*        A  27  -0.541  -4.188 -10.404
  112    H4*    A  27           H4*        A  27   1.228  -2.375 -12.043
  113    H3*    A  27           H3*        A  27   1.982  -4.645 -10.232
  114   1H2*    A  27          1H2*        A  27   3.780  -3.323  -9.338
  115   2HO*    A  27          2HO*        A  27   4.596  -1.626 -10.378
  116    H1*    A  27           H1*        A  27   2.286  -1.016  -8.971
  117    H8     A  27           H8         A  27  -0.187  -3.658  -8.281
  118   1H6     A  27           H61        A  27   0.944  -4.687  -3.673
  119   2H6     A  27           H62        A  27   2.297  -4.270  -2.646
  120    H2     A  27           H2         A  27   5.073  -1.737  -5.106
  121   1H5*    G  28          1H5*        G  28   5.670  -3.242 -11.528
  122   2H5*    G  28          2H5*        G  28   6.680  -4.643 -11.933
  123    H4*    G  28           H4*        G  28   7.676  -3.216 -10.209
  124    H3*    G  28           H3*        G  28   7.031  -6.062  -9.488
  125   1H2*    G  28          1H2*        G  28   7.906  -5.665  -7.296
  126   2HO*    G  28          2HO*        G  28   9.484  -4.282  -7.021
  127    H1*    G  28           H1*        G  28   6.766  -3.104  -6.989
  128    H8     G  28           H8         G  28   4.240  -5.337  -8.595
  129    H1     G  28           H1         G  28   4.704  -6.138  -2.233
  130   1H2     G  28           H21        G  28   7.576  -4.210  -2.512
  131   2H2     G  28           H22        G  28   6.496  -5.110  -1.470
  132   1H5*    C  29          1H5*        C  29  11.779  -7.812  -7.757
  133   2H5*    C  29          2H5*        C  29  10.104  -8.379  -7.609
  134    H4*    C  29           H4*        C  29  11.590  -6.427  -5.872
  135    H3*    C  29           H3*        C  29  10.459  -9.162  -5.393
  136   1H2*    C  29          1H2*        C  29   9.809  -8.515  -3.184
  137   2HO*    C  29          2HO*        C  29  10.696  -6.830  -2.140
  138    H1*    C  29           H1*        C  29   8.840  -5.974  -3.875
  139   1H4     C  29           H41        C  29   3.868  -9.952  -5.520
  140   2H4     C  29           H42        C  29   3.847  -9.973  -3.771
  141    H5     C  29           H5         C  29   5.643  -8.903  -6.804
  142    H6     C  29           H6         C  29   7.753  -7.687  -6.661
  143   1H5*    C  30          1H5*        C  30  11.428  -9.330  -1.907
  144   2H5*    C  30          2H5*        C  30  12.867 -10.364  -1.796
  145    H4*    C  30           H4*        C  30  11.191 -11.118  -0.255
  146    H3*    C  30           H3*        C  30  12.488 -12.867  -1.873
  147   1H2*    C  30          1H2*        C  30  10.757 -13.039  -3.544
  148   2HO*    C  30          2HO*        C  30  10.873 -15.047  -1.797
  149    H1*    C  30           H1*        C  30   8.719 -13.007  -1.254
  150   1H4     C  30           H41        C  30   5.556 -11.491  -6.887
  151   2H4     C  30           H42        C  30   4.573 -12.668  -6.044
  152    H5     C  30           H5         C  30   7.710 -10.743  -6.066
  153    H6     C  30           H6         C  30   9.339 -10.951  -4.262
  154   1H5*    U  31          1H5*        U  31  14.669 -13.673  -1.657
  155   2H5*    U  31          2H5*        U  31  15.485 -14.702  -0.464
  156    H4*    U  31           H4*        U  31  16.745 -12.675  -1.148
  157    H3*    U  31           H3*        U  31  16.775 -13.776   1.347
  158   1H2*    U  31          1H2*        U  31  15.153 -12.250   2.313
  159   2HO*    U  31          2HO*        U  31  17.287 -11.987   3.356
  160    H1*    U  31           H1*        U  31  16.527 -10.060   0.656
  161    H3     U  31           H3         U  31  14.028  -7.106   3.031
  162    H5     U  31           H5         U  31  11.217  -9.591   1.134
  163    H6     U  31           H6         U  31  13.044 -11.005   0.441
  164   1H5*    G  32          1H5*        G  32  19.825 -13.211   4.944
  165   2H5*    G  32          2H5*        G  32  20.342 -14.375   3.710
  166    H4*    G  32           H4*        G  32  18.634 -15.781   4.100
  167    H3*    G  32           H3*        G  32  16.829 -13.869   3.651
  168   1H2*    G  32          1H2*        G  32  17.108 -12.717   5.776
  169   2HO*    G  32          2HO*        G  32  15.330 -13.563   7.135
  170    H1*    G  32           H1*        G  32  17.049 -15.455   7.151
  171    H8     G  32           H8         G  32  19.233 -12.252   7.104
  172    H1     G  32           H1         G  32  17.297 -14.303  12.885
  173   1H2     G  32           H21        G  32  15.647 -16.783  11.103
  174   2H2     G  32           H22        G  32  16.026 -16.090  12.663
  175   1H5*    G  33          1H5*        G  33  16.343 -19.654   2.318
  176   2H5*    G  33          2H5*        G  33  15.474 -18.413   1.392
  177    H4*    G  33           H4*        G  33  14.122 -20.391   2.111
  178    H3*    G  33           H3*        G  33  13.183 -17.889   1.775
  179   1H2*    G  33          1H2*        G  33  13.479 -17.167   4.070
  180   2HO*    G  33          2HO*        G  33  10.930 -18.173   3.539
  181    H1*    G  33           H1*        G  33  12.409 -19.903   4.938
  182    H8     G  33           H8         G  33  15.451 -17.642   5.736
  183    H1     G  33           H1         G  33  11.913 -19.524  10.766
  184   1H2     G  33           H21        G  33   9.901 -21.045   8.381
  185   2H2     G  33           H22        G  33  10.191 -20.714  10.074
  186   1H5*    G  34          1H5*        G  34   9.519 -17.804  -0.790
  187   2H5*    G  34          2H5*        G  34  10.178 -16.179  -0.526
  188    H4*    G  34           H4*        G  34   8.698 -17.901   1.452
  189    H3*    G  34           H3*        G  34   7.461 -16.344  -0.362
  190   1H2*    G  34          1H2*        G  34   8.575 -14.278   0.215
  191   2HO*    G  34          2HO*        G  34   7.124 -13.191   1.755
  192    H1*    G  34           H1*        G  34   8.263 -15.039   3.167
  193    H8     G  34           H8         G  34   8.984 -12.241   1.215
  194    H1     G  34           H1         G  34  13.818 -13.131   5.363
  195   1H2     G  34           H21        G  34  12.489 -16.313   5.751
  196   2H2     G  34           H22        G  34  13.729 -15.165   6.202
  197   1H5*    A  35          1H5*        A  35   2.760 -17.804   1.495
  198   2H5*    A  35          2H5*        A  35   2.137 -16.147   1.616
  199    H4*    A  35           H4*        A  35   1.357 -17.340   3.499
  200    H3*    A  35           H3*        A  35   2.513 -14.998   3.949
  201   1H2*    A  35          1H2*        A  35   4.787 -15.790   4.212
  202   2HO*    A  35          2HO*        A  35   5.194 -15.812   6.464
  203    H1*    A  35           H1*        A  35   3.789 -18.083   5.965
  204    H8     A  35           H8         A  35   5.306 -18.966   2.707
  205   1H6     A  35           H61        A  35   9.819 -20.017   4.176
  206   2H6     A  35           H62        A  35  10.686 -19.750   5.671
  207    H2     A  35           H2         A  35   7.852 -17.676   8.472
  208   1H5*    G  36          1H5*        G  36   1.630 -11.685   5.413
  209   2H5*    G  36          2H5*        G  36   2.043 -12.897   4.184
  210    H4*    G  36           H4*        G  36   4.039 -12.112   6.263
  211    H3*    G  36           H3*        G  36   3.305 -10.450   3.874
  212   1H2*    G  36          1H2*        G  36   5.639  -9.997   3.490
  213   2HO*    G  36          2HO*        G  36   6.336 -11.641   5.693
  214    H1*    G  36           H1*        G  36   6.377 -12.651   3.624
  215    H8     G  36           H8         G  36   3.180 -13.382   2.247
  216    H1     G  36           H1         G  36   6.676 -10.008  -1.964
  217   1H2     G  36           H21        G  36   8.681  -9.271   0.772
  218   2H2     G  36           H22        G  36   8.390  -9.071  -0.941
  219   1H5*    C  37          1H5*        C  37   5.534  -6.525   6.635
  220   2H5*    C  37          2H5*        C  37   4.728  -7.322   5.270
  221    H4*    C  37           H4*        C  37   7.702  -6.929   5.581
  222    H3*    C  37           H3*        C  37   5.679  -5.285   4.097
  223   1H2*    C  37          1H2*        C  37   7.221  -5.046   2.271
  224   2HO*    C  37          2HO*        C  37   9.336  -5.301   2.519
  225    H1*    C  37           H1*        C  37   7.971  -7.724   2.179
  226   1H4     C  37           H41        C  37   1.972  -7.830  -0.532
  227   2H4     C  37           H42        C  37   2.975  -7.103  -1.766
  228    H5     C  37           H5         C  37   2.770  -8.294   1.711
  229    H6     C  37           H6         C  37   4.685  -8.146   3.215
  230   1H5*    U  38          1H5*        U  38   9.007  -3.289   3.317
  231   2H5*    U  38          2H5*        U  38   8.910  -1.638   3.959
  232    H4*    U  38           H4*        U  38   9.625  -1.556   1.681
  233    H3*    U  38           H3*        U  38   6.834  -0.517   2.122
  234   1H2*    U  38          1H2*        U  38   6.732   0.004  -0.213
  235   2HO*    U  38          2HO*        U  38   8.783   0.873  -0.527
  236    H1*    U  38           H1*        U  38   8.002  -2.375  -1.071
  237    H3     U  38           H3         U  38   3.661  -2.423  -2.530
  238    H5     U  38           H5         U  38   3.563  -3.935   1.391
  239    H6     U  38           H6         U  38   5.866  -3.273   1.627
  240   1H5*    C  39          1H5*        C  39   7.263   4.350  -0.126
  241   2H5*    C  39          2H5*        C  39   6.064   3.060   0.093
  242    H4*    C  39           H4*        C  39   8.127   3.227  -2.101
  243    H3*    C  39           H3*        C  39   5.225   3.984  -2.103
  244   1H2*    C  39          1H2*        C  39   4.985   3.017  -4.286
  245   2HO*    C  39          2HO*        C  39   6.685   3.268  -5.536
  246    H1*    C  39           H1*        C  39   6.375   0.674  -3.727
  247   1H4     C  39           H41        C  39   0.583  -0.294  -0.753
  248   2H4     C  39           H42        C  39   0.283  -0.647  -2.441
  249    H5     C  39           H5         C  39   2.669   0.645   0.046
  250    H6     C  39           H6         C  39   4.897   1.403  -0.609
  251   1H5*    U  40          1H5*        U  40   4.285   7.228  -6.138
  252   2H5*    U  40          2H5*        U  40   3.416   6.651  -4.701
  253    H4*    U  40           H4*        U  40   3.972   5.234  -7.284
  254    H3*    U  40           H3*        U  40   1.458   6.000  -5.839
  255   1H2*    U  40          1H2*        U  40   0.411   3.984  -6.625
  256   2HO*    U  40          2HO*        U  40   1.274   2.739  -8.224
  257    H1*    U  40           H1*        U  40   2.533   2.307  -6.003
  258    H3     U  40           H3         U  40  -1.063   2.104  -2.989
  259    H5     U  40           H5         U  40   2.062   4.284  -1.222
  260    H6     U  40           H6         U  40   3.132   4.361  -3.378
  261   1H5*    C  41          1H5*        C  41   0.044   6.091  -9.890
  262   2H5*    C  41          2H5*        C  41  -1.357   7.166 -10.069
  263    H4*    C  41           H4*        C  41  -1.870   4.736 -10.204
  264    H3*    C  41           H3*        C  41  -3.274   6.457  -8.177
  265   1H2*    C  41          1H2*        C  41  -4.503   4.517  -7.461
  266   2HO*    C  41          2HO*        C  41  -4.534   3.746  -9.813
  267    H1*    C  41           H1*        C  41  -2.295   2.795  -7.437
  268   1H4     C  41           H41        C  41  -1.483   6.085  -1.817
  269   2H4     C  41           H42        C  41  -2.842   5.036  -1.482
  270    H5     C  41           H5         C  41  -0.548   6.364  -4.033
  271    H6     C  41           H6         C  41  -0.703   5.665  -6.361
  272   1H5*    U  42          1H5*        U  42  -6.421   4.224  -9.180
  273   2H5*    U  42          2H5*        U  42  -7.631   5.321  -9.871
  274    H4*    U  42           H4*        U  42  -8.706   4.110  -8.166
  275    H3*    U  42           H3*        U  42  -8.112   6.936  -7.328
  276   1H2*    U  42          1H2*        U  42  -9.162   6.473  -5.218
  277   2HO*    U  42          2HO*        U  42  -9.874   3.912  -6.252
  278    H1*    U  42           H1*        U  42  -7.944   3.976  -4.858
  279    H3     U  42           H3         U  42  -6.112   6.945  -1.879
  280    H5     U  42           H5         U  42  -3.845   7.292  -5.402
  281    H6     U  42           H6         U  42  -5.501   5.945  -6.511
  282   1H5*    G  43          1H5*        G  43 -11.972   6.424  -6.018
  283   2H5*    G  43          2H5*        G  43 -12.946   7.801  -6.570
  284    H4*    G  43           H4*        G  43 -13.169   7.610  -4.208
  285    H3*    G  43           H3*        G  43 -11.525   9.984  -5.058
  286   1H2*    G  43          1H2*        G  43 -11.282  10.569  -2.759
  287   2HO*    G  43          2HO*        G  43 -13.348  10.340  -1.994
  288    H1*    G  43           H1*        G  43 -11.079   7.877  -1.809
  289    H8     G  43           H8         G  43  -8.850   8.560  -4.766
  290    H1     G  43           H1         G  43  -6.339  10.281   0.899
  291   1H2     G  43           H21        G  43  -9.539   9.729   2.125
  292   2H2     G  43           H22        G  43  -7.890  10.204   2.463
  293   1H5*    G  44          1H5*        G  44 -13.375  14.164  -3.220
  294   2H5*    G  44          2H5*        G  44 -11.816  13.336  -3.409
  295    H4*    G  44           H4*        G  44 -13.500  13.387  -0.907
  296    H3*    G  44           H3*        G  44 -11.179  15.108  -1.709
  297   1H2*    G  44          1H2*        G  44 -10.295  14.952   0.519
  298   2HO*    G  44          2HO*        G  44 -11.485  14.078   2.212
  299    H1*    G  44           H1*        G  44 -10.668  12.209   0.791
  300    H8     G  44           H8         G  44  -9.802  12.419  -2.751
  301    H1     G  44           H1         G  44  -4.720  13.510   1.034
  302   1H2     G  44           H21        G  44  -7.070  13.850   3.563
  303   2H2     G  44           H22        G  44  -5.383  13.874   3.102
  304   1H5*    C  45          1H5*        C  45 -11.018  19.335   0.976
  305   2H5*    C  45          2H5*        C  45  -9.881  18.553  -0.140
  306    H4*    C  45           H4*        C  45 -10.094  18.256   2.843
  307    H3*    C  45           H3*        C  45  -7.998  19.410   1.038
  308   1H2*    C  45          1H2*        C  45  -6.281  18.548   2.479
  309   2HO*    C  45          2HO*        C  45  -7.834  18.961   4.402
  310    H1*    C  45           H1*        C  45  -7.379  16.011   2.747
  311   1H4     C  45           H41        C  45  -5.015  15.851  -3.397
  312   2H4     C  45           H42        C  45  -3.570  15.870  -2.412
  313    H5     C  45           H5         C  45  -7.236  16.159  -2.482
  314    H6     C  45           H6         C  45  -8.517  16.558  -0.446
  315   1H5*    C  46          1H5*        C  46  -6.339  20.399   4.441
  316   2H5*    C  46          2H5*        C  46  -6.324  22.163   4.624
  317    H4*    C  46           H4*        C  46  -4.140  21.487   5.060
  318    H3*    C  46           H3*        C  46  -4.352  22.613   2.285
  319   1H2*    C  46          1H2*        C  46  -2.025  22.169   1.953
  320   2HO*    C  46          2HO*        C  46  -0.633  21.923   3.594
  321    H1*    C  46           H1*        C  46  -2.029  19.636   3.187
  322   1H4     C  46           H41        C  46  -4.335  18.593  -2.911
  323   2H4     C  46           H42        C  46  -2.598  18.429  -3.033
  324    H5     C  46           H5         C  46  -5.451  19.322  -0.883
  325    H6     C  46           H6         C  46  -5.119  20.037   1.428
  326    H3T    C  46           H3T        C  46  -3.377  24.288   3.269
  327   1H    ARG  47          2H        ARG  47   1.068  -1.283   2.147
  328   2H    ARG  47          1H        ARG  47   1.103  -2.892   1.601
  329   3H    ARG  47          3H        ARG  47   1.364  -1.620   0.509
  330    HA   ARG  47           HA       ARG  47  -0.869  -0.886   0.659
  331   1HB   ARG  47          2HB       ARG  47  -0.228  -3.053  -0.661
  332   2HB   ARG  47          1HB       ARG  47  -1.142  -3.884   0.596
  333   1HG   ARG  47          2HG       ARG  47  -2.531  -1.524  -0.454
  334   2HG   ARG  47          1HG       ARG  47  -2.223  -2.744  -1.689
  335   1HD   ARG  47          2HD       ARG  47  -3.279  -4.460  -0.291
  336   2HD   ARG  47          1HD       ARG  47  -3.536  -3.279   0.993
  337    HE   ARG  47           HE       ARG  47  -5.385  -2.447  -0.216
  338   1HH1  ARG  47          1HH1      ARG  47  -3.967  -1.918  -2.801
  339   2HH1  ARG  47          2HH1      ARG  47  -4.772  -3.001  -3.885
  340   1HH2  ARG  47          1HH2      ARG  47  -6.156  -4.932  -1.352
  341   2HH2  ARG  47          2HH2      ARG  47  -6.005  -4.717  -3.064
   
  No H/Q in entry =         341
  Start of MODEL   17
    1   1H5*    G  16          1H5*        G  16   0.320  25.981  -3.326
    2   2H5*    G  16          2H5*        G  16  -1.359  25.422  -3.371
    3    H4*    G  16           H4*        G  16   0.033  26.896  -1.147
    4    H3*    G  16           H3*        G  16  -0.859  24.046  -1.433
    5   1H2*    G  16          1H2*        G  16  -1.520  24.038   0.877
    6   2HO*    G  16          2HO*        G  16  -0.609  25.348   2.277
    7    H1*    G  16           H1*        G  16  -2.894  26.433   0.788
    8    H8     G  16           H8         G  16  -3.386  25.016  -2.588
    9    H1     G  16           H1         G  16  -6.952  22.056   1.867
   10   1H2     G  16           H21        G  16  -4.941  23.731   4.143
   11   2H2     G  16           H22        G  16  -6.266  22.619   3.880
   12    H5T    G  16           H5T        G  16  -1.003  27.402  -4.509
   13   1H5*    G  17          1H5*        G  17   1.436  24.109   2.202
   14   2H5*    G  17          2H5*        G  17   2.212  22.524   2.380
   15    H4*    G  17           H4*        G  17   0.611  23.174   4.193
   16    H3*    G  17           H3*        G  17   0.178  20.602   2.689
   17   1H2*    G  17          1H2*        G  17  -1.603  20.127   4.251
   18   2HO*    G  17          2HO*        G  17  -1.443  20.942   6.199
   19    H1*    G  17           H1*        G  17  -2.723  22.670   3.968
   20    H8     G  17           H8         G  17  -1.605  22.095   0.552
   21    H1     G  17           H1         G  17  -6.555  18.300   2.113
   22   1H2     G  17           H21        G  17  -5.808  19.217   5.378
   23   2H2     G  17           H22        G  17  -6.828  18.289   4.302
   24   1H5*    C  18          1H5*        C  18   1.127  18.172   6.731
   25   2H5*    C  18          2H5*        C  18   0.238  18.664   5.275
   26    H4*    C  18           H4*        C  18  -1.063  18.583   7.981
   27    H3*    C  18           H3*        C  18  -0.575  16.226   6.187
   28   1H2*    C  18          1H2*        C  18  -2.812  15.475   6.575
   29   2HO*    C  18          2HO*        C  18  -4.097  16.351   8.212
   30    H1*    C  18           H1*        C  18  -4.021  18.010   6.416
   31   1H4     C  18           H41        C  18  -3.239  16.157   0.135
   32   2H4     C  18           H42        C  18  -4.724  15.386   0.650
   33    H5     C  18           H5         C  18  -1.780  17.355   1.659
   34    H6     C  18           H6         C  18  -1.447  18.038   3.977
   35   1H5*    C  19          1H5*        C  19  -1.122  11.900   8.248
   36   2H5*    C  19          2H5*        C  19  -1.329  12.636   6.646
   37    H4*    C  19           H4*        C  19  -3.476  12.140   8.706
   38    H3*    C  19           H3*        C  19  -2.738  10.636   6.221
   39   1H2*    C  19          1H2*        C  19  -5.071  10.350   5.698
   40   2HO*    C  19          2HO*        C  19  -6.530  10.373   7.237
   41    H1*    C  19           H1*        C  19  -5.776  12.989   6.105
   42   1H4     C  19           H41        C  19  -2.324  13.389   0.515
   43   2H4     C  19           H42        C  19  -3.757  12.508   0.035
   44    H5     C  19           H5         C  19  -1.809  13.910   2.825
   45    H6     C  19           H6         C  19  -2.569  13.702   5.133
   46   1H5*    A  20          1H5*        A  20  -5.783   8.545   8.062
   47   2H5*    A  20          2H5*        A  20  -5.517   6.791   8.052
   48    H4*    A  20           H4*        A  20  -7.665   7.528   7.046
   49    H3*    A  20           H3*        A  20  -5.740   5.875   5.436
   50   1H2*    A  20          1H2*        A  20  -7.311   5.915   3.615
   51   2HO*    A  20          2HO*        A  20  -9.406   6.505   3.869
   52    H1*    A  20           H1*        A  20  -7.872   8.646   3.810
   53    H8     A  20           H8         A  20  -4.367   8.935   4.466
   54   1H6     A  20           H61        A  20  -2.474   8.216   0.046
   55   2H6     A  20           H62        A  20  -3.120   7.564  -1.443
   56    H2     A  20           H2         A  20  -7.395   6.450  -0.634
   57   1H5*    G  21          1H5*        G  21  -9.177   4.181   4.526
   58   2H5*    G  21          2H5*        G  21  -9.154   2.436   4.841
   59    H4*    G  21           H4*        G  21  -9.833   2.830   2.582
   60    H3*    G  21           H3*        G  21  -7.107   1.585   2.849
   61   1H2*    G  21          1H2*        G  21  -6.988   1.505   0.456
   62   2HO*    G  21          2HO*        G  21  -9.727   2.310   0.461
   63    H1*    G  21           H1*        G  21  -8.081   4.075   0.053
   64    H8     G  21           H8         G  21  -5.722   4.262   2.936
   65    H1     G  21           H1         G  21  -2.792   4.278  -2.791
   66   1H2     G  21           H21        G  21  -5.898   3.339  -4.022
   67   2H2     G  21           H22        G  21  -4.224   3.714  -4.367
   68   1H5*    A  22          1H5*        A  22  -7.451  -2.738  -0.136
   69   2H5*    A  22          2H5*        A  22  -6.305  -1.455   0.304
   70    H4*    A  22           H4*        A  22  -8.289  -1.361  -1.953
   71    H3*    A  22           H3*        A  22  -5.393  -2.093  -1.940
   72   1H2*    A  22          1H2*        A  22  -4.988  -0.829  -3.932
   73   2HO*    A  22          2HO*        A  22  -6.739   0.279  -4.973
   74    H1*    A  22           H1*        A  22  -6.227   1.450  -3.032
   75    H8     A  22           H8         A  22  -5.224   0.564   0.252
   76   1H6     A  22           H61        A  22  -0.434   1.394   0.134
   77   2H6     A  22           H62        A  22   0.713   1.609  -1.169
   78    H2     A  22           H2         A  22  -1.601   1.289  -5.005
   79   1H5*    U  23          1H5*        U  23  -8.274  -1.761  -6.046
   80   2H5*    U  23          2H5*        U  23  -9.089  -3.099  -6.875
   81    H4*    U  23           H4*        U  23  -7.053  -1.961  -7.959
   82    H3*    U  23           H3*        U  23  -8.127  -4.412  -8.470
   83   1H2*    U  23          1H2*        U  23  -6.642  -5.624  -6.978
   84   2HO*    U  23          2HO*        U  23  -4.925  -6.444  -8.341
   85    H1*    U  23           H1*        U  23  -4.448  -3.740  -8.018
   86    H3     U  23           H3         U  23  -1.621  -6.722  -5.994
   87    H5     U  23           H5         U  23  -3.826  -4.967  -2.873
   88    H6     U  23           H6         U  23  -5.210  -3.917  -4.540
   89   1H5*    U  25          1H5*        U  25  -9.955  -0.765 -10.136
   90   2H5*    U  25          2H5*        U  25  -8.811  -0.439 -11.454
   91    H4*    U  25           H4*        U  25  -7.665   1.193 -10.177
   92    H3*    U  25           H3*        U  25  -8.264  -0.075  -7.831
   93   1H2*    U  25          1H2*        U  25 -10.574   0.648  -7.752
   94   2HO*    U  25          2HO*        U  25  -9.003   2.756  -6.641
   95    H1*    U  25           H1*        U  25  -9.541   3.326  -8.843
   96    H3     U  25           H3         U  25 -13.633   5.125  -8.225
   97    H5     U  25           H5         U  25 -14.406   1.611 -10.402
   98    H6     U  25           H6         U  25 -12.077   1.039 -10.165
   99   1H5*    G  26          1H5*        G  26  -6.076  -0.353 -10.605
  100   2H5*    G  26          2H5*        G  26  -5.471  -1.045  -9.087
  101    H4*    G  26           H4*        G  26  -4.032  -0.148 -11.497
  102    H3*    G  26           H3*        G  26  -3.725  -2.395  -9.537
  103   1H2*    G  26          1H2*        G  26  -1.367  -2.449  -9.969
  104   2HO*    G  26          2HO*        G  26  -1.957  -0.632 -12.089
  105    H1*    G  26           H1*        G  26  -0.973   0.290  -9.861
  106    H8     G  26           H8         G  26  -3.624  -0.646  -7.364
  107    H1     G  26           H1         G  26   2.400  -1.553  -5.319
  108   1H2     G  26           H21        G  26   3.261  -1.011  -8.641
  109   2H2     G  26           H22        G  26   3.801  -1.370  -7.017
  110   1H5*    A  27          1H5*        A  27  -1.264  -6.147 -11.504
  111   2H5*    A  27          2H5*        A  27  -1.443  -5.257  -9.979
  112    H4*    A  27           H4*        A  27   0.656  -4.676 -12.063
  113    H3*    A  27           H3*        A  27   0.804  -6.552  -9.726
  114   1H2*    A  27          1H2*        A  27   3.018  -5.753  -9.236
  115   2HO*    A  27          2HO*        A  27   3.969  -5.472 -11.199
  116    H1*    A  27           H1*        A  27   2.406  -3.059  -9.462
  117    H8     A  27           H8         A  27  -0.723  -4.422  -8.085
  118   1H6     A  27           H61        A  27   0.473  -4.728  -3.380
  119   2H6     A  27           H62        A  27   1.979  -4.546  -2.512
  120    H2     A  27           H2         A  27   5.161  -3.731  -5.568
  121   1H5*    G  28          1H5*        G  28   4.356  -7.584 -11.986
  122   2H5*    G  28          2H5*        G  28   4.780  -9.271 -11.636
  123    H4*    G  28           H4*        G  28   6.430  -7.540 -10.884
  124    H3*    G  28           H3*        G  28   5.337  -9.568  -8.953
  125   1H2*    G  28          1H2*        G  28   6.720  -8.594  -7.243
  126   2HO*    G  28          2HO*        G  28   8.575  -8.244  -8.584
  127    H1*    G  28           H1*        G  28   6.139  -5.936  -7.913
  128    H8     G  28           H8         G  28   2.914  -7.677  -8.340
  129    H1     G  28           H1         G  28   4.442  -6.779  -2.161
  130   1H2     G  28           H21        G  28   7.595  -6.007  -3.376
  131   2H2     G  28           H22        G  28   6.553  -6.189  -1.984
  132   1H5*    C  29          1H5*        C  29   9.548 -13.220  -8.584
  133   2H5*    C  29          2H5*        C  29   7.971 -13.148  -7.774
  134    H4*    C  29           H4*        C  29  10.643 -12.280  -6.862
  135    H3*    C  29           H3*        C  29   8.289 -13.626  -5.586
  136   1H2*    C  29          1H2*        C  29   8.935 -12.693  -3.450
  137   2HO*    C  29          2HO*        C  29  10.859 -11.093  -3.734
  138    H1*    C  29           H1*        C  29   9.169 -10.115  -4.381
  139   1H4     C  29           H41        C  29   2.702 -10.402  -4.987
  140   2H4     C  29           H42        C  29   2.892 -10.844  -3.306
  141    H5     C  29           H5         C  29   4.558 -10.266  -6.535
  142    H6     C  29           H6         C  29   6.977 -10.461  -6.758
  143   1H5*    C  30          1H5*        C  30  12.411 -13.745  -3.575
  144   2H5*    C  30          2H5*        C  30  12.537 -15.330  -2.787
  145    H4*    C  30           H4*        C  30  13.110 -14.108  -1.016
  146    H3*    C  30           H3*        C  30  10.530 -14.852  -0.637
  147   1H2*    C  30          1H2*        C  30   9.525 -12.779  -1.358
  148   2HO*    C  30          2HO*        C  30   8.930 -13.080   0.850
  149    H1*    C  30           H1*        C  30  11.799 -11.325   0.094
  150   1H4     C  30           H41        C  30   8.556  -6.881  -3.510
  151   2H4     C  30           H42        C  30  10.222  -6.485  -3.867
  152    H5     C  30           H5         C  30   7.906  -8.864  -2.269
  153    H6     C  30           H6         C  30   8.740 -10.810  -1.057
  154   1H5*    U  31          1H5*        U  31  12.318 -17.951  -0.008
  155   2H5*    U  31          2H5*        U  31  11.309 -17.036  -1.147
  156    H4*    U  31           H4*        U  31  10.598 -19.346   0.613
  157    H3*    U  31           H3*        U  31  11.124 -19.426  -2.025
  158   1H2*    U  31          1H2*        U  31   9.427 -17.860  -2.731
  159   2HO*    U  31          2HO*        U  31   7.875 -19.081  -3.695
  160    H1*    U  31           H1*        U  31   7.481 -19.147  -0.749
  161    H3     U  31           H3         U  31   4.333 -16.271  -2.188
  162    H5     U  31           H5         U  31   7.645 -13.796  -1.433
  163    H6     U  31           H6         U  31   8.928 -15.780  -0.980
  164   1H5*    G  32          1H5*        G  32  10.285 -24.584  -2.787
  165   2H5*    G  32          2H5*        G  32  10.605 -22.901  -3.248
  166    H4*    G  32           H4*        G  32   8.423 -22.221  -2.645
  167    H3*    G  32           H3*        G  32   8.212 -23.937  -0.649
  168   1H2*    G  32          1H2*        G  32   8.268 -25.985  -1.921
  169   2HO*    G  32          2HO*        G  32   6.116 -26.723  -2.056
  170    H1*    G  32           H1*        G  32   6.339 -24.845  -3.986
  171    H8     G  32           H8         G  32   9.732 -25.343  -5.229
  172    H1     G  32           H1         G  32   6.246 -30.738  -5.559
  173   1H2     G  32           H21        G  32   4.051 -29.075  -3.447
  174   2H2     G  32           H22        G  32   4.422 -30.532  -4.341
  175   1H5*    G  33          1H5*        G  33   3.171 -21.142  -0.315
  176   2H5*    G  33          2H5*        G  33   3.829 -22.675  -0.921
  177    H4*    G  33           H4*        G  33   4.124 -20.152  -2.501
  178    H3*    G  33           H3*        G  33   1.568 -20.811  -1.909
  179   1H2*    G  33          1H2*        G  33   1.649 -23.077  -2.747
  180   2HO*    G  33          2HO*        G  33   0.739 -23.022  -4.861
  181    H1*    G  33           H1*        G  33   3.308 -22.030  -5.102
  182    H8     G  33           H8         G  33   3.703 -24.838  -2.480
  183    H1     G  33           H1         G  33   3.623 -26.713  -8.632
  184   1H2     G  33           H21        G  33   3.011 -23.366  -9.316
  185   2H2     G  33           H22        G  33   3.245 -24.982  -9.942
  186   1H5*    G  34          1H5*        G  34   2.424 -17.143  -2.097
  187   2H5*    G  34          2H5*        G  34   2.758 -18.600  -1.141
  188    H4*    G  34           H4*        G  34   0.719 -17.489   0.265
  189    H3*    G  34           H3*        G  34   1.221 -15.318  -1.294
  190   1H2*    G  34          1H2*        G  34   3.528 -15.034  -0.638
  191   2HO*    G  34          2HO*        G  34   3.032 -13.085   0.073
  192    H1*    G  34           H1*        G  34   2.664 -15.759   2.213
  193    H8     G  34           H8         G  34   5.226 -13.965   1.271
  194    H1     G  34           H1         G  34   7.794 -19.623   2.927
  195   1H2     G  34           H21        G  34   4.574 -20.852   2.514
  196   2H2     G  34           H22        G  34   6.242 -21.186   2.920
  197   1H5*    A  35          1H5*        A  35  -3.600 -13.184   0.437
  198   2H5*    A  35          2H5*        A  35  -2.312 -11.968   0.561
  199    H4*    A  35           H4*        A  35  -3.975 -11.791   2.349
  200    H3*    A  35           H3*        A  35  -1.358 -11.379   2.750
  201   1H2*    A  35          1H2*        A  35  -0.790 -13.644   3.399
  202   2HO*    A  35          2HO*        A  35  -1.619 -12.255   5.745
  203    H1*    A  35           H1*        A  35  -3.340 -13.714   5.093
  204    H8     A  35           H8         A  35  -1.231 -15.793   2.575
  205   1H6     A  35           H61        A  35  -1.792 -20.097   4.775
  206   2H6     A  35           H62        A  35  -2.668 -20.610   6.199
  207    H2     A  35           H2         A  35  -4.658 -16.955   7.892
  208   1H5*    G  36          1H5*        G  36   0.762  -8.863   6.296
  209   2H5*    G  36          2H5*        G  36   0.680  -8.911   4.523
  210    H4*    G  36           H4*        G  36   1.686 -11.062   6.378
  211    H3*    G  36           H3*        G  36   3.114  -9.151   4.564
  212   1H2*    G  36          1H2*        G  36   4.661 -10.889   3.956
  213   2HO*    G  36          2HO*        G  36   4.890 -11.908   5.975
  214    H1*    G  36           H1*        G  36   2.731 -12.815   3.470
  215    H8     G  36           H8         G  36   0.638 -10.278   2.244
  216    H1     G  36           H1         G  36   5.943 -10.545  -1.379
  217   1H2     G  36           H21        G  36   7.262 -12.408   1.215
  218   2H2     G  36           H22        G  36   7.477 -11.742  -0.390
  219   1H5*    C  37          1H5*        C  37   6.185  -9.997   5.539
  220   2H5*    C  37          2H5*        C  37   7.127  -8.842   6.501
  221    H4*    C  37           H4*        C  37   8.424  -9.167   4.620
  222    H3*    C  37           H3*        C  37   6.847  -6.629   4.290
  223   1H2*    C  37          1H2*        C  37   7.794  -6.346   2.116
  224   2HO*    C  37          2HO*        C  37   9.941  -6.896   2.602
  225    H1*    C  37           H1*        C  37   7.641  -9.061   1.361
  226   1H4     C  37           H41        C  37   1.616  -6.679   0.159
  227   2H4     C  37           H42        C  37   2.525  -6.433  -1.316
  228    H5     C  37           H5         C  37   2.632  -7.475   2.217
  229    H6     C  37           H6         C  37   4.710  -8.236   3.247
  230   1H5*    U  38          1H5*        U  38   8.674  -2.763   3.301
  231   2H5*    U  38          2H5*        U  38   7.480  -3.988   2.829
  232    H4*    U  38           H4*        U  38  10.038  -3.696   1.306
  233    H3*    U  38           H3*        U  38   7.730  -1.791   1.119
  234   1H2*    U  38          1H2*        U  38   7.884  -1.852  -1.274
  235   2HO*    U  38          2HO*        U  38   9.853  -2.018  -2.041
  236    H1*    U  38           H1*        U  38   8.160  -4.615  -1.483
  237    H3     U  38           H3         U  38   3.944  -3.326  -2.826
  238    H5     U  38           H5         U  38   3.684  -4.140   1.294
  239    H6     U  38           H6         U  38   6.085  -4.296   1.341
  240   1H5*    C  39          1H5*        C  39   9.714   2.075  -1.982
  241   2H5*    C  39          2H5*        C  39   8.110   1.522  -1.460
  242    H4*    C  39           H4*        C  39   9.775   0.465  -3.738
  243    H3*    C  39           H3*        C  39   7.305   2.164  -3.676
  244   1H2*    C  39          1H2*        C  39   6.442   0.976  -5.569
  245   2HO*    C  39          2HO*        C  39   8.391   0.785  -6.749
  246    H1*    C  39           H1*        C  39   7.075  -1.566  -4.645
  247   1H4     C  39           H41        C  39   1.808   0.023  -1.027
  248   2H4     C  39           H42        C  39   1.146  -0.421  -2.585
  249    H5     C  39           H5         C  39   4.185   0.250  -0.622
  250    H6     C  39           H6         C  39   6.406   0.072  -1.618
  251   1H5*    U  40          1H5*        U  40   6.967   4.382  -8.503
  252   2H5*    U  40          2H5*        U  40   6.206   4.738  -6.940
  253    H4*    U  40           H4*        U  40   5.667   2.508  -8.863
  254    H3*    U  40           H3*        U  40   3.975   4.639  -7.594
  255   1H2*    U  40          1H2*        U  40   2.121   3.131  -7.555
  256   2HO*    U  40          2HO*        U  40   2.188   1.146  -8.698
  257    H1*    U  40           H1*        U  40   3.612   0.838  -6.826
  258    H3     U  40           H3         U  40   0.611   2.220  -3.541
  259    H5     U  40           H5         U  40   4.388   3.793  -2.585
  260    H6     U  40           H6         U  40   5.151   3.091  -4.759
  261   1H5*    C  41          1H5*        C  41   0.239   5.618 -11.235
  262   2H5*    C  41          2H5*        C  41   0.328   6.138  -9.540
  263    H4*    C  41           H4*        C  41  -1.144   3.879 -10.784
  264    H3*    C  41           H3*        C  41  -1.801   6.003  -8.772
  265   1H2*    C  41          1H2*        C  41  -3.366   4.518  -7.720
  266   2HO*    C  41          2HO*        C  41  -4.362   3.093  -8.922
  267    H1*    C  41           H1*        C  41  -1.694   2.295  -7.707
  268   1H4     C  41           H41        C  41   0.905   5.812  -2.819
  269   2H4     C  41           H42        C  41  -0.639   5.306  -2.170
  270    H5     C  41           H5         C  41   1.519   5.512  -5.147
  271    H6     C  41           H6         C  41   0.792   4.633  -7.303
  272   1H5*    U  42          1H5*        U  42  -5.463   4.428  -9.824
  273   2H5*    U  42          2H5*        U  42  -6.565   5.731 -10.310
  274    H4*    U  42           H4*        U  42  -7.520   4.259  -8.600
  275    H3*    U  42           H3*        U  42  -7.163   7.166  -7.943
  276   1H2*    U  42          1H2*        U  42  -8.058   6.768  -5.763
  277   2HO*    U  42          2HO*        U  42  -9.021   4.411  -6.979
  278    H1*    U  42           H1*        U  42  -6.757   4.293  -5.346
  279    H3     U  42           H3         U  42  -5.234   7.555  -2.432
  280    H5     U  42           H5         U  42  -2.694   7.610  -5.781
  281    H6     U  42           H6         U  42  -4.265   6.174  -6.904
  282   1H5*    G  43          1H5*        G  43 -11.403   9.199  -6.417
  283   2H5*    G  43          2H5*        G  43  -9.659   9.265  -6.092
  284    H4*    G  43           H4*        G  43 -11.663   7.574  -4.602
  285    H3*    G  43           H3*        G  43 -10.595  10.301  -3.958
  286   1H2*    G  43          1H2*        G  43 -10.393   9.666  -1.644
  287   2HO*    G  43          2HO*        G  43 -11.547   8.076  -0.814
  288    H1*    G  43           H1*        G  43  -9.135   7.250  -2.133
  289    H8     G  43           H8         G  43  -7.630   8.958  -4.893
  290    H1     G  43           H1         G  43  -5.600  11.466   0.671
  291   1H2     G  43           H21        G  43  -8.303   9.780   2.053
  292   2H2     G  43           H22        G  43  -6.922  10.823   2.314
  293   1H5*    G  44          1H5*        G  44 -13.348   9.444  -1.038
  294   2H5*    G  44          2H5*        G  44 -14.496  10.774  -0.792
  295    H4*    G  44           H4*        G  44 -13.446  10.073   1.290
  296    H3*    G  44           H3*        G  44 -12.930  12.879   0.351
  297   1H2*    G  44          1H2*        G  44 -11.564  13.249   2.282
  298   2HO*    G  44          2HO*        G  44 -11.775  12.097   4.088
  299    H1*    G  44           H1*        G  44 -10.271  10.747   2.210
  300    H8     G  44           H8         G  44 -10.369  11.735  -1.319
  301    H1     G  44           H1         G  44  -6.045  15.100   2.043
  302   1H2     G  44           H21        G  44  -7.694  13.842   4.825
  303   2H2     G  44           H22        G  44  -6.401  14.841   4.202
  304   1H5*    C  45          1H5*        C  45 -14.786  15.842   4.321
  305   2H5*    C  45          2H5*        C  45 -13.788  16.285   2.923
  306    H4*    C  45           H4*        C  45 -12.972  15.502   5.688
  307    H3*    C  45           H3*        C  45 -12.395  17.844   3.904
  308   1H2*    C  45          1H2*        C  45 -10.204  18.030   4.846
  309   2HO*    C  45          2HO*        C  45 -11.002  16.026   6.719
  310    H1*    C  45           H1*        C  45  -9.628  15.291   4.817
  311   1H4     C  45           H41        C  45  -8.725  17.078  -1.455
  312   2H4     C  45           H42        C  45  -7.307  17.687  -0.630
  313    H5     C  45           H5         C  45 -10.619  16.117  -0.285
  314    H6     C  45           H6         C  45 -11.534  15.558   1.908
  315   1H5*    C  46          1H5*        C  46 -14.239  21.997   5.534
  316   2H5*    C  46          2H5*        C  46 -13.476  20.810   4.460
  317    H4*    C  46           H4*        C  46 -12.491  21.460   7.234
  318    H3*    C  46           H3*        C  46 -11.782  22.807   4.651
  319   1H2*    C  46          1H2*        C  46  -9.471  22.830   5.308
  320   2HO*    C  46          2HO*        C  46  -9.221  23.139   7.406
  321    H1*    C  46           H1*        C  46  -9.399  20.183   6.144
  322   1H4     C  46           H41        C  46  -9.541  19.615  -0.416
  323   2H4     C  46           H42        C  46  -7.907  20.132  -0.071
  324    H5     C  46           H5         C  46 -11.275  19.514   1.274
  325    H6     C  46           H6         C  46 -11.789  19.895   3.627
  326    H3T    C  46           H3T        C  46 -11.798  23.572   7.363
  327   1H    ARG  47          2H        ARG  47  -0.708  -6.636   2.922
  328   2H    ARG  47          1H        ARG  47  -0.742  -5.031   3.475
  329   3H    ARG  47          3H        ARG  47  -2.171  -5.946   3.443
  330    HA   ARG  47           HA       ARG  47  -2.227  -5.974   1.085
  331   1HB   ARG  47          2HB       ARG  47  -2.658  -3.746   2.567
  332   2HB   ARG  47          1HB       ARG  47  -1.405  -3.146   1.480
  333   1HG   ARG  47          2HG       ARG  47  -2.971  -4.453  -0.304
  334   2HG   ARG  47          1HG       ARG  47  -4.191  -3.982   0.880
  335   1HD   ARG  47          2HD       ARG  47  -4.089  -2.157  -0.632
  336   2HD   ARG  47          1HD       ARG  47  -3.153  -1.631   0.763
  337    HE   ARG  47           HE       ARG  47  -1.233  -1.625  -0.606
  338   1HH1  ARG  47          1HH2      ARG  47  -0.492  -3.937  -1.721
  339   2HH1  ARG  47          2HH2      ARG  47  -1.098  -3.989  -3.342
  340   1HH2  ARG  47          1HH1      ARG  47  -3.444  -1.487  -2.829
  341   2HH2  ARG  47          2HH1      ARG  47  -2.768  -2.595  -3.972
   
  No H/Q in entry =         341
  Start of MODEL   18
    1   1H5*    G  16          1H5*        G  16   0.805  24.230  -4.008
    2   2H5*    G  16          2H5*        G  16  -0.785  23.450  -3.990
    3    H4*    G  16           H4*        G  16   0.159  25.759  -2.306
    4    H3*    G  16           H3*        G  16  -0.401  22.883  -1.665
    5   1H2*    G  16          1H2*        G  16  -1.362  23.537   0.428
    6   2HO*    G  16          2HO*        G  16  -0.315  26.121  -0.176
    7    H1*    G  16           H1*        G  16  -2.857  25.664  -0.571
    8    H8     G  16           H8         G  16  -2.990  23.087  -3.225
    9    H1     G  16           H1         G  16  -6.829  21.751   1.757
   10   1H2     G  16           H21        G  16  -5.067  24.260   3.383
   11   2H2     G  16           H22        G  16  -6.333  23.055   3.462
   12    H5T    G  16           H5T        G  16  -1.612  25.603  -4.585
   13   1H5*    G  17          1H5*        G  17   1.260  24.387   1.890
   14   2H5*    G  17          2H5*        G  17   2.305  23.147   2.609
   15    H4*    G  17           H4*        G  17   0.460  23.828   4.078
   16    H3*    G  17           H3*        G  17   0.611  20.951   3.218
   17   1H2*    G  17          1H2*        G  17  -1.352  20.499   4.513
   18   2HO*    G  17          2HO*        G  17  -0.921  21.678   6.369
   19    H1*    G  17           H1*        G  17  -2.737  22.834   3.761
   20    H8     G  17           H8         G  17  -1.011  21.479   0.738
   21    H1     G  17           H1         G  17  -6.454  18.386   2.195
   22   1H2     G  17           H21        G  17  -6.274  20.132   5.189
   23   2H2     G  17           H22        G  17  -7.143  18.978   4.202
   24   1H5*    C  18          1H5*        C  18   0.543  18.139   7.496
   25   2H5*    C  18          2H5*        C  18   0.027  17.972   5.806
   26    H4*    C  18           H4*        C  18  -1.623  19.034   8.098
   27    H3*    C  18           H3*        C  18  -1.577  16.340   6.791
   28   1H2*    C  18          1H2*        C  18  -3.979  16.250   6.882
   29   2HO*    C  18          2HO*        C  18  -3.714  18.555   8.542
   30    H1*    C  18           H1*        C  18  -4.405  18.848   5.982
   31   1H4     C  18           H41        C  18  -2.761  15.702   0.444
   32   2H4     C  18           H42        C  18  -4.410  15.199   0.744
   33    H5     C  18           H5         C  18  -1.466  16.988   2.037
   34    H6     C  18           H6         C  18  -1.479  18.020   4.248
   35   1H5*    C  19          1H5*        C  19  -1.709  13.037   6.835
   36   2H5*    C  19          2H5*        C  19  -2.461  14.633   6.671
   37    H4*    C  19           H4*        C  19  -4.013  13.222   8.539
   38    H3*    C  19           H3*        C  19  -3.082  11.359   6.406
   39   1H2*    C  19          1H2*        C  19  -5.336  10.669   5.921
   40   2HO*    C  19          2HO*        C  19  -6.036  12.227   8.210
   41    H1*    C  19           H1*        C  19  -6.398  13.181   5.728
   42   1H4     C  19           H41        C  19  -2.383  12.956   0.491
   43   2H4     C  19           H42        C  19  -3.702  11.895   0.050
   44    H5     C  19           H5         C  19  -2.150  13.919   2.702
   45    H6     C  19           H6         C  19  -3.160  14.101   4.912
   46   1H5*    A  20          1H5*        A  20  -6.064   9.266   8.360
   47   2H5*    A  20          2H5*        A  20  -5.508   7.620   8.718
   48    H4*    A  20           H4*        A  20  -7.600   7.695   7.423
   49    H3*    A  20           H3*        A  20  -5.211   6.306   6.246
   50   1H2*    A  20          1H2*        A  20  -6.505   5.779   4.304
   51   2HO*    A  20          2HO*        A  20  -8.657   5.665   4.336
   52    H1*    A  20           H1*        A  20  -7.823   8.274   4.137
   53    H8     A  20           H8         A  20  -4.307   9.117   4.877
   54   1H6     A  20           H61        A  20  -2.435   8.858   0.397
   55   2H6     A  20           H62        A  20  -3.034   8.223  -1.118
   56    H2     A  20           H2         A  20  -7.146   6.600  -0.318
   57   1H5*    G  21          1H5*        G  21  -6.412   1.516   5.172
   58   2H5*    G  21          2H5*        G  21  -5.336   2.779   4.542
   59    H4*    G  21           H4*        G  21  -8.122   2.119   3.606
   60    H3*    G  21           H3*        G  21  -5.418   1.629   2.399
   61   1H2*    G  21          1H2*        G  21  -6.382   1.996   0.205
   62   2HO*    G  21          2HO*        G  21  -8.459   1.474   0.084
   63    H1*    G  21           H1*        G  21  -7.421   4.424   0.913
   64    H8     G  21           H8         G  21  -4.710   4.509   3.279
   65    H1     G  21           H1         G  21  -2.476   4.748  -2.743
   66   1H2     G  21           H21        G  21  -5.622   3.569  -3.614
   67   2H2     G  21           H22        G  21  -4.028   4.055  -4.146
   68   1H5*    A  22          1H5*        A  22  -7.920  -2.230  -0.234
   69   2H5*    A  22          2H5*        A  22  -6.567  -1.197   0.271
   70    H4*    A  22           H4*        A  22  -8.450  -0.624  -2.016
   71    H3*    A  22           H3*        A  22  -5.783  -1.989  -2.039
   72   1H2*    A  22          1H2*        A  22  -5.190  -0.773  -4.032
   73   2HO*    A  22          2HO*        A  22  -7.843   0.286  -3.983
   74    H1*    A  22           H1*        A  22  -5.994   1.699  -3.087
   75    H8     A  22           H8         A  22  -4.875   0.497   0.098
   76   1H6     A  22           H61        A  22  -0.052   0.827  -0.384
   77   2H6     A  22           H62        A  22   1.007   0.968  -1.769
   78    H2     A  22           H2         A  22  -1.617   1.052  -5.414
   79   1H5*    U  23          1H5*        U  23  -6.212  -2.047  -5.465
   80   2H5*    U  23          2H5*        U  23  -7.838  -2.507  -6.003
   81    H4*    U  23           H4*        U  23  -6.531  -2.265  -7.933
   82    H3*    U  23           H3*        U  23  -7.827  -4.602  -7.639
   83   1H2*    U  23          1H2*        U  23  -6.002  -5.855  -6.673
   84   2HO*    U  23          2HO*        U  23  -4.967  -6.976  -8.476
   85    H1*    U  23           H1*        U  23  -4.098  -4.530  -8.670
   86    H3     U  23           H3         U  23  -0.933  -7.218  -6.859
   87    H5     U  23           H5         U  23  -2.483  -5.094  -3.575
   88    H6     U  23           H6         U  23  -4.137  -4.164  -5.056
   89   1H5*    U  25          1H5*        U  25  -9.644  -1.800  -7.927
   90   2H5*    U  25          2H5*        U  25 -10.417  -1.874  -9.523
   91    H4*    U  25           H4*        U  25  -9.436   0.249 -10.131
   92    H3*    U  25           H3*        U  25  -7.467  -0.050  -8.261
   93   1H2*    U  25          1H2*        U  25  -8.877   0.379  -6.346
   94   2HO*    U  25          2HO*        U  25  -8.626   2.638  -5.848
   95    H1*    U  25           H1*        U  25 -10.250   2.494  -8.094
   96    H3     U  25           H3         U  25 -13.032   3.857  -4.867
   97    H5     U  25           H5         U  25 -12.772  -0.281  -4.169
   98    H6     U  25           H6         U  25 -11.183  -0.412  -5.975
   99   1H5*    G  26          1H5*        G  26  -5.971  -1.959 -10.221
  100   2H5*    G  26          2H5*        G  26  -5.359  -0.841  -8.987
  101    H4*    G  26           H4*        G  26  -4.414  -0.619 -11.812
  102    H3*    G  26           H3*        G  26  -3.588  -2.816  -9.948
  103   1H2*    G  26          1H2*        G  26  -1.292  -2.466 -10.563
  104   2HO*    G  26          2HO*        G  26  -0.703  -1.192 -12.295
  105    H1*    G  26           H1*        G  26  -1.350   0.297 -10.371
  106    H8     G  26           H8         G  26  -3.637  -0.864  -7.690
  107    H1     G  26           H1         G  26   2.578  -1.536  -6.190
  108   1H2     G  26           H21        G  26   3.138  -0.911  -9.556
  109   2H2     G  26           H22        G  26   3.823  -1.263  -7.984
  110   1H5*    A  27          1H5*        A  27  -0.990  -6.302 -12.351
  111   2H5*    A  27          2H5*        A  27  -1.147  -5.755 -10.669
  112    H4*    A  27           H4*        A  27   0.857  -4.824 -12.720
  113    H3*    A  27           H3*        A  27   1.126  -6.648 -10.354
  114   1H2*    A  27          1H2*        A  27   3.266  -5.669  -9.856
  115   2HO*    A  27          2HO*        A  27   3.536  -5.355 -12.358
  116    H1*    A  27           H1*        A  27   2.444  -3.037 -10.126
  117    H8     A  27           H8         A  27  -0.622  -4.386  -8.735
  118   1H6     A  27           H61        A  27   0.592  -4.811  -4.039
  119   2H6     A  27           H62        A  27   2.116  -4.729  -3.186
  120    H2     A  27           H2         A  27   5.302  -3.990  -6.257
  121   1H5*    G  28          1H5*        G  28   4.800  -6.858 -12.133
  122   2H5*    G  28          2H5*        G  28   5.422  -8.521 -12.162
  123    H4*    G  28           H4*        G  28   6.886  -6.954 -10.964
  124    H3*    G  28           H3*        G  28   5.767  -9.321  -9.507
  125   1H2*    G  28          1H2*        G  28   6.819  -8.601  -7.487
  126   2HO*    G  28          2HO*        G  28   8.248  -6.786  -9.161
  127    H1*    G  28           H1*        G  28   6.302  -5.853  -7.807
  128    H8     G  28           H8         G  28   3.152  -7.473  -8.803
  129    H1     G  28           H1         G  28   4.024  -7.446  -2.435
  130   1H2     G  28           H21        G  28   7.309  -6.631  -3.202
  131   2H2     G  28           H22        G  28   6.118  -6.957  -1.962
  132   1H5*    C  29          1H5*        C  29   9.780  -8.931  -7.787
  133   2H5*    C  29          2H5*        C  29  10.465 -10.502  -8.248
  134    H4*    C  29           H4*        C  29  10.833 -10.280  -5.943
  135    H3*    C  29           H3*        C  29   8.540 -12.140  -6.504
  136   1H2*    C  29          1H2*        C  29   8.312 -12.499  -4.158
  137   2HO*    C  29          2HO*        C  29  10.696 -12.564  -3.870
  138    H1*    C  29           H1*        C  29   8.766  -9.785  -3.438
  139   1H4     C  29           H41        C  29   2.380 -10.777  -4.948
  140   2H4     C  29           H42        C  29   2.458 -10.437  -3.234
  141    H5     C  29           H5         C  29   4.343 -10.865  -6.367
  142    H6     C  29           H6         C  29   6.776 -10.681  -6.416
  143   1H5*    C  30          1H5*        C  30   7.643 -14.815  -8.180
  144   2H5*    C  30          2H5*        C  30   7.365 -13.517  -7.005
  145    H4*    C  30           H4*        C  30   6.597 -16.362  -6.940
  146    H3*    C  30           H3*        C  30   5.082 -14.124  -7.019
  147   1H2*    C  30          1H2*        C  30   5.706 -13.239  -4.894
  148   2HO*    C  30          2HO*        C  30   4.104 -14.222  -3.316
  149    H1*    C  30           H1*        C  30   5.647 -16.077  -3.744
  150   1H4     C  30           H41        C  30   8.559 -12.152   0.641
  151   2H4     C  30           H42        C  30   9.618 -13.544   0.647
  152    H5     C  30           H5         C  30   6.750 -11.879  -0.951
  153    H6     C  30           H6         C  30   5.615 -12.865  -2.864
  154   1H5*    U  31          1H5*        U  31   4.232 -19.353  -8.120
  155   2H5*    U  31          2H5*        U  31   4.603 -17.617  -8.159
  156    H4*    U  31           H4*        U  31   1.834 -18.767  -8.447
  157    H3*    U  31           H3*        U  31   3.629 -19.164 -10.436
  158   1H2*    U  31          1H2*        U  31   4.211 -16.840 -10.766
  159   2HO*    U  31          2HO*        U  31   1.927 -17.459 -12.339
  160    H1*    U  31           H1*        U  31   1.241 -16.175 -10.394
  161    H3     U  31           H3         U  31   1.854 -11.780 -10.900
  162    H5     U  31           H5         U  31   5.336 -12.960  -8.859
  163    H6     U  31           H6         U  31   4.548 -15.233  -8.977
  164   1H5*    G  32          1H5*        G  32   3.382 -22.163  -9.203
  165   2H5*    G  32          2H5*        G  32   1.951 -23.085  -9.707
  166    H4*    G  32           H4*        G  32   0.947 -22.628  -7.488
  167    H3*    G  32           H3*        G  32   2.724 -20.677  -6.983
  168   1H2*    G  32          1H2*        G  32   4.706 -22.071  -6.972
  169   2HO*    G  32          2HO*        G  32   5.113 -22.576  -4.709
  170    H1*    G  32           H1*        G  32   3.118 -24.162  -5.392
  171    H8     G  32           H8         G  32   5.161 -24.174  -8.670
  172    H1     G  32           H1         G  32   7.273 -28.081  -4.017
  173   1H2     G  32           H21        G  32   4.737 -26.666  -2.115
  174   2H2     G  32           H22        G  32   6.061 -27.805  -2.197
  175   1H5*    G  33          1H5*        G  33  -0.926 -19.146  -2.698
  176   2H5*    G  33          2H5*        G  33   0.807 -18.778  -2.608
  177    H4*    G  33           H4*        G  33  -0.197 -19.728  -0.534
  178    H3*    G  33           H3*        G  33   2.340 -20.121  -1.344
  179   1H2*    G  33          1H2*        G  33   1.938 -22.178  -2.564
  180   2HO*    G  33          2HO*        G  33   2.569 -23.892  -1.144
  181    H1*    G  33           H1*        G  33   0.120 -23.053  -0.255
  182    H8     G  33           H8         G  33   0.443 -23.008  -4.120
  183    H1     G  33           H1         G  33  -2.262 -28.245  -1.551
  184   1H2     G  33           H21        G  33  -1.835 -26.598   1.474
  185   2H2     G  33           H22        G  33  -2.401 -28.026   0.637
  186   1H5*    G  34          1H5*        G  34   4.353 -17.038   0.649
  187   2H5*    G  34          2H5*        G  34   5.267 -18.531   0.946
  188    H4*    G  34           H4*        G  34   4.523 -18.641   3.197
  189    H3*    G  34           H3*        G  34   2.178 -17.452   2.636
  190   1H2*    G  34          1H2*        G  34   3.087 -15.247   2.180
  191   2HO*    G  34          2HO*        G  34   3.095 -14.439   4.696
  192    H1*    G  34           H1*        G  34   4.889 -15.629   4.632
  193    H8     G  34           H8         G  34   5.325 -14.593   0.929
  194    H1     G  34           H1         G  34   7.530 -10.440   5.318
  195   1H2     G  34           H21        G  34   6.198 -12.664   7.627
  196   2H2     G  34           H22        G  34   7.053 -11.165   7.345
  197   1H5*    A  35          1H5*        A  35   0.282 -19.022   8.003
  198   2H5*    A  35          2H5*        A  35  -0.670 -18.191   6.757
  199    H4*    A  35           H4*        A  35  -0.892 -17.061   8.868
  200    H3*    A  35           H3*        A  35   0.521 -15.552   6.698
  201   1H2*    A  35          1H2*        A  35   0.891 -13.715   8.209
  202   2HO*    A  35          2HO*        A  35  -0.677 -15.171  10.103
  203    H1*    A  35           H1*        A  35   1.824 -15.259  10.305
  204    H8     A  35           H8         A  35   2.309 -14.458   6.647
  205   1H6     A  35           H61        A  35   7.133 -15.019   6.421
  206   2H6     A  35           H62        A  35   8.319 -15.661   7.535
  207    H2     A  35           H2         A  35   6.088 -16.952  11.215
  208   1H5*    G  36          1H5*        G  36  -1.143 -10.782   6.408
  209   2H5*    G  36          2H5*        G  36  -1.028 -11.837   4.985
  210    H4*    G  36           H4*        G  36   1.179 -11.504   7.008
  211    H3*    G  36           H3*        G  36   0.619  -9.800   4.608
  212   1H2*    G  36          1H2*        G  36   2.952  -9.824   4.035
  213   2HO*    G  36          2HO*        G  36   3.441 -11.265   6.447
  214    H1*    G  36           H1*        G  36   3.324 -12.550   4.420
  215    H8     G  36           H8         G  36   0.008 -12.807   3.094
  216    H1     G  36           H1         G  36   4.086 -10.748  -1.430
  217   1H2     G  36           H21        G  36   6.223 -10.109   1.225
  218   2H2     G  36           H22        G  36   5.961 -10.067  -0.503
  219   1H5*    C  37          1H5*        C  37   4.368  -5.952   6.358
  220   2H5*    C  37          2H5*        C  37   3.452  -5.887   4.839
  221    H4*    C  37           H4*        C  37   6.078  -7.167   5.442
  222    H3*    C  37           H3*        C  37   5.099  -5.232   3.375
  223   1H2*    C  37          1H2*        C  37   6.661  -6.142   1.787
  224   2HO*    C  37          2HO*        C  37   8.251  -6.541   3.633
  225    H1*    C  37           H1*        C  37   6.034  -8.790   2.280
  226   1H4     C  37           H41        C  37   0.646  -6.752  -0.906
  227   2H4     C  37           H42        C  37   1.890  -6.597  -2.126
  228    H5     C  37           H5         C  37   1.129  -7.291   1.408
  229    H6     C  37           H6         C  37   2.900  -7.761   3.016
  230   1H5*    U  38          1H5*        U  38   8.982  -5.149   2.552
  231   2H5*    U  38          2H5*        U  38   9.591  -3.495   2.758
  232    H4*    U  38           H4*        U  38  10.218  -4.296   0.598
  233    H3*    U  38           H3*        U  38   8.127  -2.137   0.557
  234   1H2*    U  38          1H2*        U  38   8.121  -2.244  -1.835
  235   2HO*    U  38          2HO*        U  38  10.361  -4.001  -1.630
  236    H1*    U  38           H1*        U  38   8.222  -5.054  -1.997
  237    H3     U  38           H3         U  38   4.129  -3.637  -3.503
  238    H5     U  38           H5         U  38   3.760  -3.996   0.670
  239    H6     U  38           H6         U  38   6.140  -4.311   0.781
  240   1H5*    C  39          1H5*        C  39   9.794   1.634  -2.422
  241   2H5*    C  39          2H5*        C  39   8.257   0.908  -1.912
  242    H4*    C  39           H4*        C  39   9.904   0.169  -4.327
  243    H3*    C  39           H3*        C  39   7.400   1.799  -4.063
  244   1H2*    C  39          1H2*        C  39   6.537   0.780  -6.058
  245   2HO*    C  39          2HO*        C  39   8.340   0.670  -7.362
  246    H1*    C  39           H1*        C  39   7.210  -1.825  -5.371
  247   1H4     C  39           H41        C  39   2.011  -0.568  -1.518
  248   2H4     C  39           H42        C  39   1.318  -0.863  -3.097
  249    H5     C  39           H5         C  39   4.399  -0.385  -1.141
  250    H6     C  39           H6         C  39   6.597  -0.469  -2.199
  251   1H5*    U  40          1H5*        U  40   6.826   4.805  -8.324
  252   2H5*    U  40          2H5*        U  40   6.072   4.674  -6.722
  253    H4*    U  40           H4*        U  40   5.711   2.952  -9.145
  254    H3*    U  40           H3*        U  40   3.845   4.575  -7.447
  255   1H2*    U  40          1H2*        U  40   2.121   2.942  -7.814
  256   2HO*    U  40          2HO*        U  40   2.728   2.546 -10.056
  257    H1*    U  40           H1*        U  40   3.712   0.732  -7.296
  258    H3     U  40           H3         U  40   0.825   1.891  -3.801
  259    H5     U  40           H5         U  40   4.674   3.280  -2.841
  260    H6     U  40           H6         U  40   5.332   2.802  -5.108
  261   1H5*    C  41          1H5*        C  41   1.225   3.813 -10.573
  262   2H5*    C  41          2H5*        C  41   0.265   5.288 -10.809
  263    H4*    C  41           H4*        C  41  -0.994   3.256 -10.052
  264    H3*    C  41           H3*        C  41  -1.151   5.825  -8.497
  265   1H2*    C  41          1H2*        C  41  -2.703   4.791  -7.003
  266   2HO*    C  41          2HO*        C  41  -4.047   3.515  -8.113
  267    H1*    C  41           H1*        C  41  -1.273   2.369  -6.837
  268   1H4     C  41           H41        C  41   1.910   6.179  -2.552
  269   2H4     C  41           H42        C  41   0.392   5.832  -1.749
  270    H5     C  41           H5         C  41   2.331   5.605  -4.875
  271    H6     C  41           H6         C  41   1.396   4.554  -6.869
  272   1H5*    U  42          1H5*        U  42  -5.884   5.996 -10.085
  273   2H5*    U  42          2H5*        U  42  -4.679   6.126  -8.788
  274    H4*    U  42           H4*        U  42  -7.175   4.437  -8.662
  275    H3*    U  42           H3*        U  42  -6.773   7.278  -7.792
  276   1H2*    U  42          1H2*        U  42  -7.979   6.836  -5.772
  277   2HO*    U  42          2HO*        U  42  -9.647   5.560  -6.644
  278    H1*    U  42           H1*        U  42  -6.787   4.362  -5.233
  279    H3     U  42           H3         U  42  -5.268   7.454  -2.192
  280    H5     U  42           H5         U  42  -2.651   7.657  -5.476
  281    H6     U  42           H6         U  42  -4.191   6.269  -6.698
  282   1H5*    G  43          1H5*        G  43 -11.241   9.418  -6.849
  283   2H5*    G  43          2H5*        G  43  -9.551   9.645  -6.356
  284    H4*    G  43           H4*        G  43 -11.703   8.063  -4.973
  285    H3*    G  43           H3*        G  43 -10.197  10.558  -4.254
  286   1H2*    G  43          1H2*        G  43 -10.276   9.903  -1.927
  287   2HO*    G  43          2HO*        G  43 -11.984   8.738  -1.393
  288    H1*    G  43           H1*        G  43  -9.263   7.397  -2.417
  289    H8     G  43           H8         G  43  -7.536   8.898  -5.165
  290    H1     G  43           H1         G  43  -5.415  11.326   0.401
  291   1H2     G  43           H21        G  43  -8.289   9.918   1.743
  292   2H2     G  43           H22        G  43  -6.827  10.837   2.020
  293   1H5*    G  44          1H5*        G  44 -14.117  11.893  -1.490
  294   2H5*    G  44          2H5*        G  44 -12.426  11.765  -2.011
  295    H4*    G  44           H4*        G  44 -13.452  10.549   0.543
  296    H3*    G  44           H3*        G  44 -12.574  13.385   0.113
  297   1H2*    G  44          1H2*        G  44 -11.313  13.304   2.153
  298   2HO*    G  44          2HO*        G  44 -12.936  11.062   2.622
  299    H1*    G  44           H1*        G  44 -10.179  10.795   1.701
  300    H8     G  44           H8         G  44  -9.980  11.918  -1.687
  301    H1     G  44           H1         G  44  -6.112  15.429   2.062
  302   1H2     G  44           H21        G  44  -7.976  14.121   4.679
  303   2H2     G  44           H22        G  44  -6.666  15.166   4.176
  304   1H5*    C  45          1H5*        C  45 -13.394  13.365   4.132
  305   2H5*    C  45          2H5*        C  45 -14.738  14.494   4.396
  306    H4*    C  45           H4*        C  45 -13.075  14.998   5.992
  307    H3*    C  45           H3*        C  45 -13.197  17.039   3.786
  308   1H2*    C  45          1H2*        C  45 -11.437  18.247   4.870
  309   2HO*    C  45          2HO*        C  45 -11.848  16.476   7.071
  310    H1*    C  45           H1*        C  45  -9.927  15.964   5.580
  311   1H4     C  45           H41        C  45  -8.309  17.288  -0.686
  312   2H4     C  45           H42        C  45  -7.119  18.109   0.301
  313    H5     C  45           H5         C  45 -10.238  16.152   0.249
  314    H6     C  45           H6         C  45 -11.401  15.570   2.313
  315   1H5*    C  46          1H5*        C  46 -14.312  21.544   6.574
  316   2H5*    C  46          2H5*        C  46 -13.786  21.254   4.905
  317    H4*    C  46           H4*        C  46 -12.178  21.766   7.363
  318    H3*    C  46           H3*        C  46 -12.249  22.934   4.602
  319   1H2*    C  46          1H2*        C  46  -9.890  23.355   4.718
  320   2HO*    C  46          2HO*        C  46  -9.959  23.995   6.990
  321    H1*    C  46           H1*        C  46  -9.197  20.872   5.774
  322   1H4     C  46           H41        C  46 -10.408  19.531  -0.565
  323   2H4     C  46           H42        C  46  -8.799  20.221  -0.560
  324    H5     C  46           H5         C  46 -11.820  19.467   1.406
  325    H6     C  46           H6         C  46 -11.974  20.058   3.769
  326    H3T    C  46           H3T        C  46 -13.194  23.958   6.378
  327   1H    ARG  47          3H        ARG  47  -1.235  -6.725   2.507
  328   2H    ARG  47          2H        ARG  47  -1.910  -5.376   3.289
  329   3H    ARG  47          1H        ARG  47  -2.694  -6.065   1.948
  330    HA   ARG  47           HA       ARG  47  -0.894  -5.412   0.495
  331   1HB   ARG  47          2HB       ARG  47  -2.161  -3.299   2.241
  332   2HB   ARG  47          1HB       ARG  47  -1.106  -2.866   0.897
  333   1HG   ARG  47          2HG       ARG  47  -2.710  -4.645  -0.358
  334   2HG   ARG  47          1HG       ARG  47  -3.836  -4.043   0.858
  335   1HD   ARG  47          2HD       ARG  47  -3.956  -2.705  -1.215
  336   2HD   ARG  47          1HD       ARG  47  -3.395  -1.731   0.144
  337    HE   ARG  47           HE       ARG  47  -1.179  -1.727  -0.825
  338   1HH1  ARG  47          1HH1      ARG  47  -0.070  -3.586  -2.208
  339   2HH1  ARG  47          2HH1      ARG  47  -0.657  -3.588  -3.838
  340   1HH2  ARG  47          1HH2      ARG  47  -3.463  -1.675  -3.110
  341   2HH2  ARG  47          2HH2      ARG  47  -2.578  -2.495  -4.352
   
  No H/Q in entry =         341
  Start of MODEL   19
    1   1H5*    G  16          1H5*        G  16  -1.887  24.916  -4.174
    2   2H5*    G  16          2H5*        G  16  -1.972  26.625  -4.631
    3    H4*    G  16           H4*        G  16  -1.410  27.232  -2.302
    4    H3*    G  16           H3*        G  16  -1.421  24.268  -1.841
    5   1H2*    G  16          1H2*        G  16  -2.558  24.602   0.244
    6   2HO*    G  16          2HO*        G  16  -2.084  26.358   1.322
    7    H1*    G  16           H1*        G  16  -4.411  26.445  -0.714
    8    H8     G  16           H8         G  16  -3.895  24.035  -3.492
    9    H1     G  16           H1         G  16  -7.681  21.747   1.175
   10   1H2     G  16           H21        G  16  -6.542  24.470   3.001
   11   2H2     G  16           H22        G  16  -7.552  23.043   2.953
   12    H5T    G  16           H5T        G  16   0.250  26.699  -3.666
   13   1H5*    G  17          1H5*        G  17  -0.145  25.831   1.824
   14   2H5*    G  17          2H5*        G  17   1.097  24.777   2.526
   15    H4*    G  17           H4*        G  17  -0.881  25.016   3.954
   16    H3*    G  17           H3*        G  17  -0.176  22.265   2.962
   17   1H2*    G  17          1H2*        G  17  -2.055  21.395   4.164
   18   2HO*    G  17          2HO*        G  17  -2.564  22.308   6.000
   19    H1*    G  17           H1*        G  17  -3.823  23.486   3.486
   20    H8     G  17           H8         G  17  -1.831  22.617   0.450
   21    H1     G  17           H1         G  17  -6.670  18.548   1.614
   22   1H2     G  17           H21        G  17  -6.820  20.118   4.707
   23   2H2     G  17           H22        G  17  -7.462  18.887   3.643
   24   1H5*    C  18          1H5*        C  18   0.213  19.030   6.513
   25   2H5*    C  18          2H5*        C  18  -0.529  19.255   4.918
   26    H4*    C  18           H4*        C  18  -2.011  19.643   7.510
   27    H3*    C  18           H3*        C  18  -1.579  17.079   6.019
   28   1H2*    C  18          1H2*        C  18  -3.889  16.503   6.348
   29   2HO*    C  18          2HO*        C  18  -5.226  17.699   7.715
   30    H1*    C  18           H1*        C  18  -4.909  18.991   5.641
   31   1H4     C  18           H41        C  18  -3.148  16.367  -0.147
   32   2H4     C  18           H42        C  18  -4.658  15.576   0.248
   33    H5     C  18           H5         C  18  -1.995  17.850   1.391
   34    H6     C  18           H6         C  18  -2.051  18.842   3.618
   35   1H5*    C  19          1H5*        C  19  -2.577  13.033   8.478
   36   2H5*    C  19          2H5*        C  19  -2.545  13.611   6.800
   37    H4*    C  19           H4*        C  19  -4.957  13.582   8.609
   38    H3*    C  19           H3*        C  19  -4.030  11.561   6.609
   39   1H2*    C  19          1H2*        C  19  -6.257  11.336   5.746
   40   2HO*    C  19          2HO*        C  19  -8.010  11.959   6.851
   41    H1*    C  19           H1*        C  19  -6.805  14.045   5.583
   42   1H4     C  19           H41        C  19  -2.629  13.261   0.565
   43   2H4     C  19           H42        C  19  -4.041  12.366   0.047
   44    H5     C  19           H5         C  19  -2.392  14.170   2.800
   45    H6     C  19           H6         C  19  -3.465  14.415   4.977
   46   1H5*    A  20          1H5*        A  20  -7.515   9.993   7.878
   47   2H5*    A  20          2H5*        A  20  -7.296   8.320   8.424
   48    H4*    A  20           H4*        A  20  -9.054   8.558   6.731
   49    H3*    A  20           H3*        A  20  -6.695   6.802   6.134
   50   1H2*    A  20          1H2*        A  20  -7.593   6.329   3.975
   51   2HO*    A  20          2HO*        A  20  -9.987   7.666   4.751
   52    H1*    A  20           H1*        A  20  -8.542   8.937   3.443
   53    H8     A  20           H8         A  20  -5.200   9.525   4.827
   54   1H6     A  20           H61        A  20  -2.490   8.704   0.869
   55   2H6     A  20           H62        A  20  -2.830   7.983  -0.687
   56    H2     A  20           H2         A  20  -7.151   6.756  -0.641
   57   1H5*    G  21          1H5*        G  21  -6.971   2.747   4.876
   58   2H5*    G  21          2H5*        G  21  -6.708   4.415   4.332
   59    H4*    G  21           H4*        G  21  -9.102   3.032   3.283
   60    H3*    G  21           H3*        G  21  -6.351   2.032   2.636
   61   1H2*    G  21          1H2*        G  21  -6.972   1.903   0.304
   62   2HO*    G  21          2HO*        G  21  -9.580   2.731   1.125
   63    H1*    G  21           H1*        G  21  -7.990   4.455   0.184
   64    H8     G  21           H8         G  21  -5.487   4.991   2.766
   65    H1     G  21           H1         G  21  -2.778   4.013  -2.984
   66   1H2     G  21           H21        G  21  -5.909   2.828  -3.900
   67   2H2     G  21           H22        G  21  -4.256   3.149  -4.372
   68   1H5*    A  22          1H5*        A  22  -8.663  -0.296   0.148
   69   2H5*    A  22          2H5*        A  22  -8.216  -1.990   0.431
   70    H4*    A  22           H4*        A  22  -7.994  -1.382  -1.919
   71    H3*    A  22           H3*        A  22  -5.421  -2.031  -0.487
   72   1H2*    A  22          1H2*        A  22  -4.302  -1.811  -2.613
   73   2HO*    A  22          2HO*        A  22  -6.856  -1.311  -3.775
   74    H1*    A  22           H1*        A  22  -5.554   0.607  -3.215
   75    H8     A  22           H8         A  22  -5.019   0.570   0.487
   76   1H6     A  22           H61        A  22  -0.476   2.292   0.620
   77   2H6     A  22           H62        A  22   0.751   2.528  -0.605
   78    H2     A  22           H2         A  22  -1.034   1.222  -4.512
   79   1H5*    U  23          1H5*        U  23  -8.641  -4.738  -5.022
   80   2H5*    U  23          2H5*        U  23  -7.039  -5.132  -4.369
   81    H4*    U  23           H4*        U  23  -7.488  -2.633  -5.954
   82    H3*    U  23           H3*        U  23  -8.136  -4.880  -7.266
   83   1H2*    U  23          1H2*        U  23  -6.104  -6.102  -6.739
   84   2HO*    U  23          2HO*        U  23  -5.950  -6.322  -8.880
   85    H1*    U  23           H1*        U  23  -4.550  -3.535  -7.375
   86    H3     U  23           H3         U  23  -1.042  -6.495  -6.996
   87    H5     U  23           H5         U  23  -2.554  -5.964  -3.110
   88    H6     U  23           H6         U  23  -4.441  -4.823  -4.077
   89   1H5*    U  25          1H5*        U  25 -10.309  -0.639  -6.526
   90   2H5*    U  25          2H5*        U  25 -10.411  -0.622  -8.298
   91    H4*    U  25           H4*        U  25  -8.483   1.008  -8.253
   92    H3*    U  25           H3*        U  25  -8.204   0.572  -5.569
   93   1H2*    U  25          1H2*        U  25 -10.299   1.596  -4.942
   94   2HO*    U  25          2HO*        U  25  -8.376   3.686  -5.169
   95    H1*    U  25           H1*        U  25  -9.689   3.663  -7.127
   96    H3     U  25           H3         U  25 -13.687   5.667  -7.541
   97    H5     U  25           H5         U  25 -14.343   2.816  -4.521
   98    H6     U  25           H6         U  25 -12.127   1.973  -4.936
   99   1H5*    G  26          1H5*        G  26  -6.177  -1.065  -9.147
  100   2H5*    G  26          2H5*        G  26  -5.280  -1.012  -7.617
  101    H4*    G  26           H4*        G  26  -4.532   0.366 -10.194
  102    H3*    G  26           H3*        G  26  -3.542  -2.194  -8.985
  103   1H2*    G  26          1H2*        G  26  -1.295  -1.621  -9.606
  104   2HO*    G  26          2HO*        G  26  -2.282   0.711 -10.903
  105    H1*    G  26           H1*        G  26  -1.407   1.013  -8.754
  106    H8     G  26           H8         G  26  -3.468  -0.701  -6.234
  107    H1     G  26           H1         G  26   2.815  -1.829  -5.493
  108   1H2     G  26           H21        G  26   3.105  -0.523  -8.696
  109   2H2     G  26           H22        G  26   3.909  -1.220  -7.308
  110   1H5*    A  27          1H5*        A  27  -1.208  -4.988 -12.325
  111   2H5*    A  27          2H5*        A  27  -1.168  -4.978 -10.551
  112    H4*    A  27           H4*        A  27   0.714  -3.658 -12.487
  113    H3*    A  27           H3*        A  27   1.041  -5.866 -10.484
  114   1H2*    A  27          1H2*        A  27   3.256  -5.071  -9.981
  115   2HO*    A  27          2HO*        A  27   3.522  -4.398 -12.337
  116    H1*    A  27           H1*        A  27   2.539  -2.419  -9.695
  117    H8     A  27           H8         A  27  -0.532  -3.938  -8.472
  118   1H6     A  27           H61        A  27   0.806  -5.232  -3.979
  119   2H6     A  27           H62        A  27   2.352  -5.314  -3.166
  120    H2     A  27           H2         A  27   5.466  -4.059  -6.142
  121   1H5*    G  28          1H5*        G  28   4.606  -5.977 -12.489
  122   2H5*    G  28          2H5*        G  28   5.092  -7.650 -12.828
  123    H4*    G  28           H4*        G  28   6.737  -6.442 -11.478
  124    H3*    G  28           H3*        G  28   5.437  -8.869 -10.273
  125   1H2*    G  28          1H2*        G  28   6.756  -8.545  -8.297
  126   2HO*    G  28          2HO*        G  28   8.148  -6.554  -9.796
  127    H1*    G  28           H1*        G  28   6.401  -5.762  -8.173
  128    H8     G  28           H8         G  28   3.100  -7.069  -9.193
  129    H1     G  28           H1         G  28   4.340  -8.030  -2.958
  130   1H2     G  28           H21        G  28   7.594  -7.174  -3.800
  131   2H2     G  28           H22        G  28   6.470  -7.651  -2.548
  132   1H5*    C  29          1H5*        C  29   8.788 -12.561  -9.705
  133   2H5*    C  29          2H5*        C  29   7.366 -12.262  -8.687
  134    H4*    C  29           H4*        C  29  10.251 -11.704  -8.126
  135    H3*    C  29           H3*        C  29   8.170 -13.417  -6.836
  136   1H2*    C  29          1H2*        C  29   9.071 -12.940  -4.655
  137   2HO*    C  29          2HO*        C  29  11.200 -12.619  -4.736
  138    H1*    C  29           H1*        C  29   8.989 -10.225  -4.993
  139   1H4     C  29           H41        C  29   2.537 -10.886  -5.160
  140   2H4     C  29           H42        C  29   2.887 -11.805  -3.718
  141    H5     C  29           H5         C  29   4.234 -10.173  -6.722
  142    H6     C  29           H6         C  29   6.630 -10.094  -7.150
  143   1H5*    C  30          1H5*        C  30  11.528 -15.933  -5.015
  144   2H5*    C  30          2H5*        C  30  10.308 -14.678  -4.725
  145    H4*    C  30           H4*        C  30  12.794 -15.325  -3.199
  146    H3*    C  30           H3*        C  30  10.292 -16.022  -2.541
  147   1H2*    C  30          1H2*        C  30   9.372 -13.780  -2.531
  148   2HO*    C  30          2HO*        C  30   9.190 -14.806  -0.385
  149    H1*    C  30           H1*        C  30  11.888 -12.877  -1.048
  150   1H4     C  30           H41        C  30   8.641  -7.500  -3.029
  151   2H4     C  30           H42        C  30  10.315  -7.050  -3.260
  152    H5     C  30           H5         C  30   7.940  -9.768  -2.500
  153    H6     C  30           H6         C  30   8.742 -11.975  -1.839
  154   1H5*    U  31          1H5*        U  31  14.945 -17.528  -1.309
  155   2H5*    U  31          2H5*        U  31  14.436 -15.945  -1.929
  156    H4*    U  31           H4*        U  31  14.978 -18.316  -3.693
  157    H3*    U  31           H3*        U  31  17.068 -17.217  -2.319
  158   1H2*    U  31          1H2*        U  31  16.800 -14.977  -3.199
  159   2HO*    U  31          2HO*        U  31  18.299 -14.781  -4.930
  160    H1*    U  31           H1*        U  31  16.128 -16.316  -5.880
  161    H3     U  31           H3         U  31  16.044 -12.323  -7.928
  162    H5     U  31           H5         U  31  13.721 -11.685  -4.486
  163    H6     U  31           H6         U  31  14.294 -13.912  -3.769
  164   1H5*    G  32          1H5*        G  32  16.441 -20.669  -6.210
  165   2H5*    G  32          2H5*        G  32  15.819 -19.059  -5.792
  166    H4*    G  32           H4*        G  32  14.169 -20.530  -6.901
  167    H3*    G  32           H3*        G  32  13.510 -18.735  -5.052
  168   1H2*    G  32          1H2*        G  32  13.853 -20.152  -3.113
  169   2HO*    G  32          2HO*        G  32  11.610 -21.078  -2.705
  170    H1*    G  32           H1*        G  32  12.369 -22.400  -4.565
  171    H8     G  32           H8         G  32  15.120 -21.414  -2.069
  172    H1     G  32           H1         G  32  13.289 -27.577  -1.903
  173   1H2     G  32           H21        G  32  11.384 -26.759  -4.687
  174   2H2     G  32           H22        G  32  11.881 -27.989  -3.546
  175   1H5*    G  33          1H5*        G  33   9.716 -16.582  -6.278
  176   2H5*    G  33          2H5*        G  33  10.476 -17.689  -5.117
  177    H4*    G  33           H4*        G  33   7.684 -17.592  -6.137
  178    H3*    G  33           H3*        G  33   8.645 -16.937  -3.685
  179   1H2*    G  33          1H2*        G  33   9.452 -19.144  -3.108
  180   2HO*    G  33          2HO*        G  33   7.777 -20.132  -1.829
  181    H1*    G  33           H1*        G  33   6.906 -20.248  -4.415
  182    H8     G  33           H8         G  33  10.255 -21.310  -5.623
  183    H1     G  33           H1         G  33   7.725 -25.337  -1.293
  184   1H2     G  33           H21        G  33   5.414 -22.801  -0.760
  185   2H2     G  33           H22        G  33   5.966 -24.408  -0.342
  186   1H5*    G  34          1H5*        G  34   3.097 -15.041  -2.466
  187   2H5*    G  34          2H5*        G  34   4.458 -15.066  -1.328
  188    H4*    G  34           H4*        G  34   2.743 -17.481  -1.850
  189    H3*    G  34           H3*        G  34   1.468 -15.366  -0.806
  190   1H2*    G  34          1H2*        G  34   3.082 -14.924   0.954
  191   2HO*    G  34          2HO*        G  34   1.528 -15.077   2.396
  192    H1*    G  34           H1*        G  34   3.145 -17.937   1.485
  193    H8     G  34           H8         G  34   6.026 -15.600   0.640
  194    H1     G  34           H1         G  34   5.816 -17.532   6.770
  195   1H2     G  34           H21        G  34   2.733 -18.875   5.904
  196   2H2     G  34           H22        G  34   3.934 -18.616   7.150
  197   1H5*    A  35          1H5*        A  35  -0.838 -16.777   1.686
  198   2H5*    A  35          2H5*        A  35  -2.457 -16.090   1.464
  199    H4*    A  35           H4*        A  35  -0.411 -14.947   2.854
  200    H3*    A  35           H3*        A  35  -2.990 -14.269   2.625
  201   1H2*    A  35          1H2*        A  35  -2.809 -13.275   0.409
  202   2HO*    A  35          2HO*        A  35  -2.284 -11.236   2.334
  203    H1*    A  35           H1*        A  35  -0.259 -11.890   1.393
  204    H8     A  35           H8         A  35  -0.301 -14.184  -1.590
  205   1H6     A  35           H61        A  35   0.002 -10.826  -5.095
  206   2H6     A  35           H62        A  35  -0.118  -9.080  -5.097
  207    H2     A  35           H2         A  35  -0.869  -7.820  -0.850
  208   1H5*    G  36          1H5*        G  36   0.722 -12.562   6.409
  209   2H5*    G  36          2H5*        G  36   0.725 -12.103   4.694
  210    H4*    G  36           H4*        G  36   2.579 -13.961   6.156
  211    H3*    G  36           H3*        G  36   2.962 -11.335   4.763
  212   1H2*    G  36          1H2*        G  36   5.111 -12.057   3.974
  213   2HO*    G  36          2HO*        G  36   4.831 -14.529   5.333
  214    H1*    G  36           H1*        G  36   4.280 -14.563   3.123
  215    H8     G  36           H8         G  36   1.403 -12.263   2.582
  216    H1     G  36           H1         G  36   5.904 -11.841  -1.986
  217   1H2     G  36           H21        G  36   7.782 -13.842   0.105
  218   2H2     G  36           H22        G  36   7.639 -13.034  -1.443
  219   1H5*    C  37          1H5*        C  37   6.010  -8.237   5.682
  220   2H5*    C  37          2H5*        C  37   4.800  -8.751   4.488
  221    H4*    C  37           H4*        C  37   7.697  -9.583   4.479
  222    H3*    C  37           H3*        C  37   6.398  -7.249   3.118
  223   1H2*    C  37          1H2*        C  37   7.677  -7.706   1.132
  224   2HO*    C  37          2HO*        C  37   9.384  -9.106   1.114
  225    H1*    C  37           H1*        C  37   7.160 -10.430   1.092
  226   1H4     C  37           H41        C  37   1.369  -8.017  -0.835
  227   2H4     C  37           H42        C  37   2.423  -7.637  -2.178
  228    H5     C  37           H5         C  37   2.182  -8.870   1.284
  229    H6     C  37           H6         C  37   4.164  -9.599   2.509
  230   1H5*    U  38          1H5*        U  38   9.974  -6.852   1.548
  231   2H5*    U  38          2H5*        U  38  10.662  -5.324   2.128
  232    H4*    U  38           H4*        U  38  10.872  -5.355  -0.227
  233    H3*    U  38           H3*        U  38   8.700  -3.478   0.692
  234   1H2*    U  38          1H2*        U  38   8.346  -2.885  -1.600
  235   2HO*    U  38          2HO*        U  38  10.609  -4.455  -2.320
  236    H1*    U  38           H1*        U  38   8.619  -5.523  -2.599
  237    H3     U  38           H3         U  38   4.311  -4.213  -3.339
  238    H5     U  38           H5         U  38   4.406  -5.523   0.657
  239    H6     U  38           H6         U  38   6.805  -5.653   0.480
  240   1H5*    C  39          1H5*        C  39  10.125   1.033  -1.724
  241   2H5*    C  39          2H5*        C  39   8.658   0.155  -1.248
  242    H4*    C  39           H4*        C  39  10.199  -0.183  -3.819
  243    H3*    C  39           H3*        C  39   7.704   1.375  -3.229
  244   1H2*    C  39          1H2*        C  39   6.762   0.630  -5.308
  245   2HO*    C  39          2HO*        C  39   8.029   0.137  -6.930
  246    H1*    C  39           H1*        C  39   7.423  -2.037  -4.988
  247   1H4     C  39           H41        C  39   2.495  -1.206  -0.685
  248   2H4     C  39           H42        C  39   1.701  -1.288  -2.241
  249    H5     C  39           H5         C  39   4.905  -1.134  -0.439
  250    H6     C  39           H6         C  39   7.031  -1.109  -1.635
  251   1H5*    U  40          1H5*        U  40   6.862   4.778  -7.049
  252   2H5*    U  40          2H5*        U  40   6.142   4.424  -5.466
  253    H4*    U  40           H4*        U  40   5.740   3.053  -8.091
  254    H3*    U  40           H3*        U  40   3.931   4.382  -6.114
  255   1H2*    U  40          1H2*        U  40   2.180   2.808  -6.598
  256   2HO*    U  40          2HO*        U  40   2.290   1.339  -8.240
  257    H1*    U  40           H1*        U  40   3.776   0.597  -6.291
  258    H3     U  40           H3         U  40   1.256   1.590  -2.500
  259    H5     U  40           H5         U  40   5.137   3.071  -1.871
  260    H6     U  40           H6         U  40   5.617   2.592  -4.184
  261   1H5*    C  41          1H5*        C  41   1.191   5.446 -10.889
  262   2H5*    C  41          2H5*        C  41   1.613   5.781  -9.199
  263    H4*    C  41           H4*        C  41  -0.517   3.995 -10.314
  264    H3*    C  41           H3*        C  41  -0.519   6.317  -8.404
  265   1H2*    C  41          1H2*        C  41  -2.383   5.329  -7.269
  266   2HO*    C  41          2HO*        C  41  -2.677   3.066  -8.772
  267    H1*    C  41           H1*        C  41  -1.388   2.698  -7.335
  268   1H4     C  41           H41        C  41   1.789   5.318  -2.218
  269   2H4     C  41           H42        C  41   0.224   4.852  -1.582
  270    H5     C  41           H5         C  41   2.304   5.297  -4.590
  271    H6     C  41           H6         C  41   1.452   4.748  -6.811
  272   1H5*    U  42          1H5*        U  42  -4.488   5.612 -10.018
  273   2H5*    U  42          2H5*        U  42  -5.493   7.071  -9.947
  274    H4*    U  42           H4*        U  42  -6.205   4.954  -8.648
  275    H3*    U  42           H3*        U  42  -6.315   7.746  -7.528
  276   1H2*    U  42          1H2*        U  42  -7.221   6.811  -5.511
  277   2HO*    U  42          2HO*        U  42  -7.283   4.269  -6.789
  278    H1*    U  42           H1*        U  42  -5.454   4.618  -5.433
  279    H3     U  42           H3         U  42  -4.765   7.741  -2.039
  280    H5     U  42           H5         U  42  -2.008   8.544  -5.110
  281    H6     U  42           H6         U  42  -3.244   7.032  -6.516
  282   1H5*    G  43          1H5*        G  43  -9.903   5.940  -6.346
  283   2H5*    G  43          2H5*        G  43 -11.215   7.084  -6.685
  284    H4*    G  43           H4*        G  43 -11.219   6.333  -4.367
  285    H3*    G  43           H3*        G  43 -10.757   9.261  -4.867
  286   1H2*    G  43          1H2*        G  43 -10.626   9.601  -2.501
  287   2HO*    G  43          2HO*        G  43 -12.268   8.403  -1.679
  288    H1*    G  43           H1*        G  43  -9.154   7.240  -1.956
  289    H8     G  43           H8         G  43  -7.554   8.711  -4.933
  290    H1     G  43           H1         G  43  -6.084  11.856   0.479
  291   1H2     G  43           H21        G  43  -8.734  10.085   1.853
  292   2H2     G  43           H22        G  43  -7.461  11.261   2.092
  293   1H5*    G  44          1H5*        G  44 -14.329  11.963  -2.560
  294   2H5*    G  44          2H5*        G  44 -12.587  12.109  -2.871
  295    H4*    G  44           H4*        G  44 -13.877  11.060  -0.354
  296    H3*    G  44           H3*        G  44 -12.749  13.764  -0.992
  297   1H2*    G  44          1H2*        G  44 -11.749  13.858   1.192
  298   2HO*    G  44          2HO*        G  44 -12.962  11.364   1.826
  299    H1*    G  44           H1*        G  44 -10.729  11.266   1.158
  300    H8     G  44           H8         G  44 -10.172  12.022  -2.315
  301    H1     G  44           H1         G  44  -6.361  15.584   1.447
  302   1H2     G  44           H21        G  44  -8.501  14.614   4.000
  303   2H2     G  44           H22        G  44  -7.085  15.524   3.526
  304   1H5*    C  45          1H5*        C  45 -15.591  16.398   2.988
  305   2H5*    C  45          2H5*        C  45 -14.505  17.229   1.860
  306    H4*    C  45           H4*        C  45 -14.068  16.331   4.619
  307    H3*    C  45           H3*        C  45 -13.086  18.597   2.919
  308   1H2*    C  45          1H2*        C  45 -11.113  18.756   4.258
  309   2HO*    C  45          2HO*        C  45 -11.997  18.482   6.307
  310    H1*    C  45           H1*        C  45 -10.642  15.997   4.435
  311   1H4     C  45           H41        C  45  -8.392  17.483  -1.566
  312   2H4     C  45           H42        C  45  -7.176  18.139  -0.492
  313    H5     C  45           H5         C  45 -10.496  16.579  -0.777
  314    H6     C  45           H6         C  45 -11.864  16.137   1.195
  315   1H5*    C  46          1H5*        C  46 -14.575  20.542   6.532
  316   2H5*    C  46          2H5*        C  46 -15.288  22.153   6.323
  317    H4*    C  46           H4*        C  46 -13.057  22.387   7.128
  318    H3*    C  46           H3*        C  46 -13.385  23.246   4.265
  319   1H2*    C  46          1H2*        C  46 -11.079  23.893   4.275
  320   2HO*    C  46          2HO*        C  46  -9.915  24.135   6.149
  321    H1*    C  46           H1*        C  46 -10.186  21.629   5.725
  322   1H4     C  46           H41        C  46 -10.714  19.803  -0.614
  323   2H4     C  46           H42        C  46  -9.014  20.099  -0.326
  324    H5     C  46           H5         C  46 -12.423  20.208   1.055
  325    H6     C  46           H6         C  46 -12.847  21.020   3.318
  326    H3T    C  46           H3T        C  46 -14.420  24.433   5.802
  327   1H    ARG  47          1H        ARG  47  -2.088  -5.616   3.974
  328   2H    ARG  47          3H        ARG  47  -1.036  -4.585   3.134
  329   3H    ARG  47          2H        ARG  47  -2.708  -4.292   3.110
  330    HA   ARG  47           HA       ARG  47  -3.098  -6.320   1.883
  331   1HB   ARG  47          2HB       ARG  47  -1.183  -4.251   0.865
  332   2HB   ARG  47          1HB       ARG  47  -1.522  -5.654  -0.147
  333   1HG   ARG  47          2HG       ARG  47  -3.930  -5.190  -0.025
  334   2HG   ARG  47          1HG       ARG  47  -3.627  -3.818   1.040
  335   1HD   ARG  47          2HD       ARG  47  -2.185  -3.894  -1.576
  336   2HD   ARG  47          1HD       ARG  47  -3.901  -3.491  -1.592
  337    HE   ARG  47           HE       ARG  47  -3.376  -1.585  -0.098
  338   1HH1  ARG  47          1HH2      ARG  47  -1.135  -1.406   1.251
  339   2HH1  ARG  47          2HH2      ARG  47   0.150  -0.919   0.197
  340   1HH2  ARG  47          1HH1      ARG  47  -1.573  -1.726  -2.710
  341   2HH2  ARG  47          2HH1      ARG  47  -0.101  -1.096  -2.051
   
  No H/Q in entry =         341
  Start of MODEL   20
    1   1H5*    G  16          1H5*        G  16   4.145  20.625  -5.473
    2   2H5*    G  16          2H5*        G  16   2.376  20.598  -5.395
    3    H4*    G  16           H4*        G  16   4.283  22.080  -3.602
    4    H3*    G  16           H3*        G  16   2.557  19.667  -3.167
    5   1H2*    G  16          1H2*        G  16   2.051  20.431  -0.948
    6   2HO*    G  16          2HO*        G  16   4.048  21.216  -0.291
    7    H1*    G  16           H1*        G  16   1.552  23.075  -1.653
    8    H8     G  16           H8         G  16   0.314  21.043  -4.509
    9    H1     G  16           H1         G  16  -3.674  21.021   0.534
   10   1H2     G  16           H21        G  16  -1.009  22.435   2.249
   11   2H2     G  16           H22        G  16  -2.660  21.860   2.300
   12    H5T    G  16           H5T        G  16   3.319  22.046  -6.992
   13   1H5*    G  17          1H5*        G  17   4.549  17.386   1.129
   14   2H5*    G  17          2H5*        G  17   3.009  17.249   0.259
   15    H4*    G  17           H4*        G  17   3.744  19.066   2.532
   16    H3*    G  17           H3*        G  17   1.741  16.859   2.215
   17   1H2*    G  17          1H2*        G  17   0.201  18.062   3.620
   18   2HO*    G  17          2HO*        G  17   0.818  19.921   4.731
   19    H1*    G  17           H1*        G  17   0.503  20.497   2.338
   20    H8     G  17           H8         G  17   0.898  18.595  -0.643
   21    H1     G  17           H1         G  17  -5.039  17.802   1.691
   22   1H2     G  17           H21        G  17  -3.730  19.112   4.624
   23   2H2     G  17           H22        G  17  -5.124  18.464   3.788
   24   1H5*    C  18          1H5*        C  18   1.010  17.460   5.824
   25   2H5*    C  18          2H5*        C  18   1.413  16.071   6.851
   26    H4*    C  18           H4*        C  18  -0.819  16.593   7.320
   27    H3*    C  18           H3*        C  18  -0.633  14.167   5.549
   28   1H2*    C  18          1H2*        C  18  -3.031  14.025   5.588
   29   2HO*    C  18          2HO*        C  18  -3.422  14.543   7.752
   30    H1*    C  18           H1*        C  18  -3.464  16.756   5.170
   31   1H4     C  18           H41        C  18  -1.884  14.428  -0.797
   32   2H4     C  18           H42        C  18  -3.585  14.060  -0.609
   33    H5     C  18           H5         C  18  -0.526  15.332   0.994
   34    H6     C  18           H6         C  18  -0.526  16.067   3.321
   35   1H5*    C  19          1H5*        C  19   0.037  10.022   7.529
   36   2H5*    C  19          2H5*        C  19  -0.205  11.324   6.349
   37    H4*    C  19           H4*        C  19  -2.107  10.908   8.631
   38    H3*    C  19           H3*        C  19  -2.035   9.274   6.114
   39   1H2*    C  19          1H2*        C  19  -4.431   9.452   5.962
   40   2HO*    C  19          2HO*        C  19  -5.578   9.692   7.724
   41    H1*    C  19           H1*        C  19  -4.535  12.182   6.444
   42   1H4     C  19           H41        C  19  -2.220  11.850   0.277
   43   2H4     C  19           H42        C  19  -3.914  11.446   0.110
   44    H5     C  19           H5         C  19  -1.135  12.124   2.427
   45    H6     C  19           H6         C  19  -1.452  12.053   4.843
   46   1H5*    A  20          1H5*        A  20  -5.090   7.692   8.260
   47   2H5*    A  20          2H5*        A  20  -5.100   5.918   8.245
   48    H4*    A  20           H4*        A  20  -7.180   6.927   7.400
   49    H3*    A  20           H3*        A  20  -5.595   5.119   5.599
   50   1H2*    A  20          1H2*        A  20  -7.232   5.446   3.877
   51   2HO*    A  20          2HO*        A  20  -8.952   5.538   5.710
   52    H1*    A  20           H1*        A  20  -7.488   8.211   4.245
   53    H8     A  20           H8         A  20  -3.930   8.085   4.620
   54   1H6     A  20           H61        A  20  -2.491   7.462   0.014
   55   2H6     A  20           H62        A  20  -3.327   6.985  -1.448
   56    H2     A  20           H2         A  20  -7.608   6.237  -0.321
   57   1H5*    G  21          1H5*        G  21  -9.304   3.774   5.056
   58   2H5*    G  21          2H5*        G  21  -9.416   2.003   5.085
   59    H4*    G  21           H4*        G  21 -10.207   2.892   2.979
   60    H3*    G  21           H3*        G  21  -7.713   1.217   2.854
   61   1H2*    G  21          1H2*        G  21  -7.708   1.509   0.467
   62   2HO*    G  21          2HO*        G  21  -9.804   1.376  -0.152
   63    H1*    G  21           H1*        G  21  -8.263   4.252   0.540
   64    H8     G  21           H8         G  21  -5.983   3.642   3.396
   65    H1     G  21           H1         G  21  -2.955   3.654  -2.275
   66   1H2     G  21           H21        G  21  -6.149   3.486  -3.619
   67   2H2     G  21           H22        G  21  -4.426   3.552  -3.911
   68   1H5*    A  22          1H5*        A  22  -9.934  -2.131  -1.105
   69   2H5*    A  22          2H5*        A  22  -8.274  -1.927  -0.509
   70    H4*    A  22           H4*        A  22  -9.768  -0.182  -2.459
   71    H3*    A  22           H3*        A  22  -7.526  -2.138  -2.806
   72   1H2*    A  22          1H2*        A  22  -6.451  -0.674  -4.349
   73   2HO*    A  22          2HO*        A  22  -8.915   0.764  -4.369
   74    H1*    A  22           H1*        A  22  -7.026   1.732  -2.994
   75    H8     A  22           H8         A  22  -5.987  -0.150  -0.144
   76   1H6     A  22           H61        A  22  -1.160  -0.058  -0.655
   77   2H6     A  22           H62        A  22  -0.101   0.313  -1.998
   78    H2     A  22           H2         A  22  -2.725   1.226  -5.523
   79   1H5*    U  23          1H5*        U  23  -6.081  -3.102  -5.786
   80   2H5*    U  23          2H5*        U  23  -5.958  -1.367  -6.132
   81    H4*    U  23           H4*        U  23  -6.397  -1.706  -8.431
   82    H3*    U  23           H3*        U  23  -7.904  -3.885  -7.976
   83   1H2*    U  23          1H2*        U  23  -6.133  -5.361  -7.278
   84   2HO*    U  23          2HO*        U  23  -6.202  -5.481 -10.126
   85    H1*    U  23           H1*        U  23  -4.366  -4.222  -9.506
   86    H3     U  23           H3         U  23  -0.605  -6.227  -8.182
   87    H5     U  23           H5         U  23  -2.865  -6.128  -4.634
   88    H6     U  23           H6         U  23  -4.610  -5.012  -5.867
   89   1H5*    U  25          1H5*        U  25 -10.640  -1.114  -7.999
   90   2H5*    U  25          2H5*        U  25 -10.976  -1.623  -9.665
   91    H4*    U  25           H4*        U  25  -9.838   0.184 -10.584
   92    H3*    U  25           H3*        U  25  -7.923   0.081  -8.646
   93   1H2*    U  25          1H2*        U  25  -9.254   1.184  -6.945
   94   2HO*    U  25          2HO*        U  25  -7.324   2.507  -7.656
   95    H1*    U  25           H1*        U  25 -10.242   2.979  -9.230
   96    H3     U  25           H3         U  25 -13.248   5.383  -6.972
   97    H5     U  25           H5         U  25 -12.699   2.048  -4.471
   98    H6     U  25           H6         U  25 -11.168   1.164  -6.107
   99   1H5*    G  26          1H5*        G  26  -5.687  -1.860 -11.556
  100   2H5*    G  26          2H5*        G  26  -5.322  -1.205  -9.950
  101    H4*    G  26           H4*        G  26  -4.131  -0.200 -12.525
  102    H3*    G  26           H3*        G  26  -3.105  -2.339 -10.694
  103   1H2*    G  26          1H2*        G  26  -0.883  -1.435 -10.898
  104   2HO*    G  26          2HO*        G  26  -1.968   0.395 -12.804
  105    H1*    G  26           H1*        G  26  -1.610   1.194 -10.466
  106    H8     G  26           H8         G  26  -4.043  -0.470  -8.319
  107    H1     G  26           H1         G  26   1.903  -0.738  -5.913
  108   1H2     G  26           H21        G  26   2.901   0.183  -9.108
  109   2H2     G  26           H22        G  26   3.376  -0.237  -7.477
  110   1H5*    A  27          1H5*        A  27  -0.068  -5.328 -12.697
  111   2H5*    A  27          2H5*        A  27  -0.269  -5.387 -10.936
  112    H4*    A  27           H4*        A  27   1.747  -3.961 -12.595
  113    H3*    A  27           H3*        A  27   1.853  -5.718 -10.167
  114   1H2*    A  27          1H2*        A  27   3.818  -4.541  -9.419
  115   2HO*    A  27          2HO*        A  27   3.684  -3.048 -11.849
  116    H1*    A  27           H1*        A  27   2.769  -2.014  -9.790
  117    H8     A  27           H8         A  27  -0.374  -3.413  -8.887
  118   1H6     A  27           H61        A  27   0.156  -4.148  -4.106
  119   2H6     A  27           H62        A  27   1.544  -4.156  -3.041
  120    H2     A  27           H2         A  27   5.144  -3.281  -5.578
  121   1H5*    G  28          1H5*        G  28   5.644  -5.476 -11.222
  122   2H5*    G  28          2H5*        G  28   6.402  -7.065 -11.443
  123    H4*    G  28           H4*        G  28   7.684  -5.692  -9.920
  124    H3*    G  28           H3*        G  28   6.416  -8.154  -8.750
  125   1H2*    G  28          1H2*        G  28   7.393  -7.600  -6.632
  126   2HO*    G  28          2HO*        G  28   8.859  -5.617  -8.073
  127    H1*    G  28           H1*        G  28   6.834  -4.843  -6.778
  128    H8     G  28           H8         G  28   3.776  -6.387  -8.092
  129    H1     G  28           H1         G  28   4.308  -7.061  -1.720
  130   1H2     G  28           H21        G  28   7.597  -6.078  -2.207
  131   2H2     G  28           H22        G  28   6.354  -6.570  -1.077
  132   1H5*    C  29          1H5*        C  29  10.256 -11.237  -7.231
  133   2H5*    C  29          2H5*        C  29   8.646 -11.022  -6.515
  134    H4*    C  29           H4*        C  29  11.268  -9.852  -5.623
  135    H3*    C  29           H3*        C  29   9.426 -11.884  -4.415
  136   1H2*    C  29          1H2*        C  29   9.902 -10.993  -2.224
  137   2HO*    C  29          2HO*        C  29  11.777  -9.284  -3.532
  138    H1*    C  29           H1*        C  29   9.523  -8.340  -2.929
  139   1H4     C  29           H41        C  29   3.243 -10.020  -3.021
  140   2H4     C  29           H42        C  29   3.696 -10.593  -1.432
  141    H5     C  29           H5         C  29   4.860  -9.361  -4.700
  142    H6     C  29           H6         C  29   7.227  -8.973  -5.131
  143   1H5*    C  30          1H5*        C  30  13.490 -11.201  -2.473
  144   2H5*    C  30          2H5*        C  30  14.062 -12.793  -1.940
  145    H4*    C  30           H4*        C  30  14.312 -11.855   0.044
  146    H3*    C  30           H3*        C  30  11.908 -13.053   0.239
  147   1H2*    C  30          1H2*        C  30  10.583 -11.107  -0.346
  148   2HO*    C  30          2HO*        C  30  10.006 -11.813   1.811
  149    H1*    C  30           H1*        C  30  12.462  -9.466   1.427
  150   1H4     C  30           H41        C  30   8.616  -5.238  -1.798
  151   2H4     C  30           H42        C  30  10.196  -4.567  -2.134
  152    H5     C  30           H5         C  30   8.300  -7.418  -0.764
  153    H6     C  30           H6         C  30   9.449  -9.289   0.294
  154   1H5*    U  31          1H5*        U  31   9.594 -15.217   3.054
  155   2H5*    U  31          2H5*        U  31  11.195 -15.861   2.643
  156    H4*    U  31           H4*        U  31   8.779 -15.492   0.943
  157    H3*    U  31           H3*        U  31   9.784 -17.788   1.906
  158   1H2*    U  31          1H2*        U  31  11.981 -17.597   0.908
  159   2HO*    U  31          2HO*        U  31  10.236 -18.889  -0.926
  160    H1*    U  31           H1*        U  31  10.637 -16.620  -1.665
  161    H3     U  31           H3         U  31  14.680 -16.452  -3.615
  162    H5     U  31           H5         U  31  15.276 -14.436   0.028
  163    H6     U  31           H6         U  31  13.027 -15.041   0.644
  164   1H5*    G  32          1H5*        G  32   9.022 -19.104   3.679
  165   2H5*    G  32          2H5*        G  32   8.689 -20.604   2.791
  166    H4*    G  32           H4*        G  32   6.538 -20.806   3.773
  167    H3*    G  32           H3*        G  32   6.270 -18.131   4.044
  168   1H2*    G  32          1H2*        G  32   7.885 -17.852   5.823
  169   2HO*    G  32          2HO*        G  32   5.478 -18.618   7.153
  170    H1*    G  32           H1*        G  32   6.793 -20.424   7.082
  171    H8     G  32           H8         G  32  10.370 -19.793   5.993
  172    H1     G  32           H1         G  32   9.397 -19.466  12.343
  173   1H2     G  32           H21        G  32   6.030 -19.639  11.516
  174   2H2     G  32           H22        G  32   7.236 -19.521  12.777
  175   1H5*    G  33          1H5*        G  33   1.779 -22.026   3.140
  176   2H5*    G  33          2H5*        G  33   1.514 -20.273   3.107
  177    H4*    G  33           H4*        G  33   0.048 -21.623   4.651
  178    H3*    G  33           H3*        G  33   0.764 -19.045   4.972
  179   1H2*    G  33          1H2*        G  33   2.715 -19.434   6.344
  180   2HO*    G  33          2HO*        G  33   2.064 -19.083   8.512
  181    H1*    G  33           H1*        G  33   1.137 -21.595   7.831
  182    H8     G  33           H8         G  33   4.348 -22.191   5.931
  183    H1     G  33           H1         G  33   5.079 -21.736  12.304
  184   1H2     G  33           H21        G  33   1.771 -20.682  12.292
  185   2H2     G  33           H22        G  33   3.204 -21.036  13.230
  186   1H5*    G  34          1H5*        G  34  -0.460 -17.420   7.228
  187   2H5*    G  34          2H5*        G  34  -1.831 -16.360   6.845
  188    H4*    G  34           H4*        G  34  -0.371 -15.192   5.202
  189    H3*    G  34           H3*        G  34   1.462 -17.182   5.344
  190   1H2*    G  34          1H2*        G  34   2.114 -16.813   7.641
  191   2HO*    G  34          2HO*        G  34   3.658 -15.045   6.023
  192    H1*    G  34           H1*        G  34   1.959 -13.806   7.074
  193    H8     G  34           H8         G  34   3.506 -15.721   9.412
  194    H1     G  34           H1         G  34  -0.895 -12.201  12.510
  195   1H2     G  34           H21        G  34  -2.290 -11.746   9.364
  196   2H2     G  34           H22        G  34  -2.373 -11.411  11.079
  197   1H5*    A  35          1H5*        A  35  -0.324 -15.477   1.273
  198   2H5*    A  35          2H5*        A  35   0.620 -14.186   0.506
  199    H4*    A  35           H4*        A  35  -0.809 -12.562   1.120
  200    H3*    A  35           H3*        A  35  -1.236 -14.028   3.694
  201   1H2*    A  35          1H2*        A  35  -3.443 -13.100   3.898
  202   2HO*    A  35          2HO*        A  35  -2.722 -11.495   1.646
  203    H1*    A  35           H1*        A  35  -4.233 -13.613   1.300
  204    H8     A  35           H8         A  35  -1.769 -16.192   2.682
  205   1H6     A  35           H61        A  35  -5.029 -19.418   4.300
  206   2H6     A  35           H62        A  35  -6.772 -19.392   4.445
  207    H2     A  35           H2         A  35  -8.146 -15.397   2.915
  208   1H5*    G  36          1H5*        G  36   0.782 -11.988   7.505
  209   2H5*    G  36          2H5*        G  36   0.467 -10.272   7.179
  210    H4*    G  36           H4*        G  36   2.722 -10.646   8.008
  211    H3*    G  36           H3*        G  36   2.444  -9.583   5.214
  212   1H2*    G  36          1H2*        G  36   4.839  -9.469   5.039
  213   2HO*    G  36          2HO*        G  36   5.725  -8.954   6.939
  214    H1*    G  36           H1*        G  36   5.237 -12.044   5.982
  215    H8     G  36           H8         G  36   2.210 -12.845   4.300
  216    H1     G  36           H1         G  36   6.709 -11.073   0.062
  217   1H2     G  36           H21        G  36   8.356  -9.776   2.796
  218   2H2     G  36           H22        G  36   8.334 -10.050   1.066
  219   1H5*    C  37          1H5*        C  37   4.962  -5.284   7.347
  220   2H5*    C  37          2H5*        C  37   3.997  -6.183   6.160
  221    H4*    C  37           H4*        C  37   7.000  -6.278   6.431
  222    H3*    C  37           H3*        C  37   5.268  -4.623   4.633
  223   1H2*    C  37          1H2*        C  37   6.714  -5.058   2.790
  224   2HO*    C  37          2HO*        C  37   8.680  -4.738   3.966
  225    H1*    C  37           H1*        C  37   7.233  -7.767   3.407
  226   1H4     C  37           H41        C  37   1.557  -8.065   0.109
  227   2H4     C  37           H42        C  37   2.730  -7.705  -1.137
  228    H5     C  37           H5         C  37   2.099  -8.056   2.472
  229    H6     C  37           H6         C  37   3.864  -7.683   4.112
  230   1H5*    U  38          1H5*        U  38   6.645  -0.522   3.101
  231   2H5*    U  38          2H5*        U  38   5.576  -1.759   2.412
  232    H4*    U  38           H4*        U  38   8.373  -1.038   1.583
  233    H3*    U  38           H3*        U  38   5.696  -0.729   0.278
  234   1H2*    U  38          1H2*        U  38   6.680  -1.184  -1.877
  235   2HO*    U  38          2HO*        U  38   8.713  -0.405  -1.915
  236    H1*    U  38           H1*        U  38   7.883  -3.502  -1.052
  237    H3     U  38           H3         U  38   3.727  -4.190  -3.074
  238    H5     U  38           H5         U  38   3.198  -4.469   1.088
  239    H6     U  38           H6         U  38   5.415  -3.567   1.355
  240   1H5*    C  39          1H5*        C  39   8.270   3.373  -2.204
  241   2H5*    C  39          2H5*        C  39   6.887   2.372  -1.716
  242    H4*    C  39           H4*        C  39   8.685   1.996  -4.106
  243    H3*    C  39           H3*        C  39   5.854   2.960  -3.855
  244   1H2*    C  39          1H2*        C  39   5.279   1.762  -5.855
  245   2HO*    C  39          2HO*        C  39   7.276   2.244  -6.972
  246    H1*    C  39           H1*        C  39   6.577  -0.598  -5.161
  247   1H4     C  39           H41        C  39   1.217  -0.802  -1.375
  248   2H4     C  39           H42        C  39   0.670  -1.328  -2.950
  249    H5     C  39           H5         C  39   3.416   0.137  -0.990
  250    H6     C  39           H6         C  39   5.567   0.662  -2.017
  251   1H5*    U  40          1H5*        U  40   6.426   4.777  -7.403
  252   2H5*    U  40          2H5*        U  40   5.574   6.330  -7.506
  253    H4*    U  40           H4*        U  40   4.533   4.471  -8.791
  254    H3*    U  40           H3*        U  40   2.928   5.937  -6.713
  255   1H2*    U  40          1H2*        U  40   1.059   4.542  -7.237
  256   2HO*    U  40          2HO*        U  40   0.965   3.313  -9.096
  257    H1*    U  40           H1*        U  40   2.555   2.158  -7.540
  258    H3     U  40           H3         U  40  -0.309   1.774  -3.954
  259    H5     U  40           H5         U  40   3.288   3.347  -2.459
  260    H6     U  40           H6         U  40   4.007   3.672  -4.734
  261   1H5*    C  41          1H5*        C  41  -0.955   7.831 -10.153
  262   2H5*    C  41          2H5*        C  41  -0.990   7.843  -8.379
  263    H4*    C  41           H4*        C  41  -2.223   5.990 -10.306
  264    H3*    C  41           H3*        C  41  -2.963   7.132  -7.637
  265   1H2*    C  41          1H2*        C  41  -4.364   5.235  -7.183
  266   2HO*    C  41          2HO*        C  41  -5.299   4.439  -8.936
  267    H1*    C  41           H1*        C  41  -2.453   3.371  -7.868
  268   1H4     C  41           H41        C  41   0.025   5.682  -2.244
  269   2H4     C  41           H42        C  41  -1.334   4.704  -1.735
  270    H5     C  41           H5         C  41   0.453   6.235  -4.567
  271    H6     C  41           H6         C  41  -0.315   5.933  -6.862
  272   1H5*    U  42          1H5*        U  42  -7.965   7.123  -9.906
  273   2H5*    U  42          2H5*        U  42  -6.733   7.631  -8.734
  274    H4*    U  42           H4*        U  42  -8.495   5.192  -8.648
  275    H3*    U  42           H3*        U  42  -8.405   7.697  -7.000
  276   1H2*    U  42          1H2*        U  42  -8.913   6.420  -5.035
  277   2HO*    U  42          2HO*        U  42  -9.981   4.586  -5.154
  278    H1*    U  42           H1*        U  42  -7.139   4.333  -5.570
  279    H3     U  42           H3         U  42  -5.555   6.945  -2.121
  280    H5     U  42           H5         U  42  -3.873   8.467  -5.658
  281    H6     U  42           H6         U  42  -5.413   7.091  -6.896
  282   1H5*    G  43          1H5*        G  43 -11.473   5.964  -5.143
  283   2H5*    G  43          2H5*        G  43 -12.853   7.076  -5.226
  284    H4*    G  43           H4*        G  43 -12.451   6.547  -2.945
  285    H3*    G  43           H3*        G  43 -11.683   9.361  -3.672
  286   1H2*    G  43          1H2*        G  43 -10.988   9.721  -1.421
  287   2HO*    G  43          2HO*        G  43 -12.145   8.842   0.108
  288    H1*    G  43           H1*        G  43  -9.890   7.121  -1.028
  289    H8     G  43           H8         G  43  -8.682   8.443  -4.286
  290    H1     G  43           H1         G  43  -5.511  10.832   0.773
  291   1H2     G  43           H21        G  43  -8.096   9.467   2.641
  292   2H2     G  43           H22        G  43  -6.597  10.370   2.632
  293   1H5*    G  44          1H5*        G  44 -14.320  12.753  -2.046
  294   2H5*    G  44          2H5*        G  44 -12.633  13.289  -2.163
  295    H4*    G  44           H4*        G  44 -14.085  11.986   0.057
  296    H3*    G  44           H3*        G  44 -12.054  14.178  -0.169
  297   1H2*    G  44          1H2*        G  44 -11.248  13.652   2.040
  298   2HO*    G  44          2HO*        G  44 -13.537  13.042   2.710
  299    H1*    G  44           H1*        G  44 -11.033  10.937   1.605
  300    H8     G  44           H8         G  44 -10.270  11.842  -1.774
  301    H1     G  44           H1         G  44  -5.634  13.869   2.188
  302   1H2     G  44           H21        G  44  -7.960  13.308   4.698
  303   2H2     G  44           H22        G  44  -6.348  13.837   4.269
  304   1H5*    C  45          1H5*        C  45 -12.824  14.747   3.486
  305   2H5*    C  45          2H5*        C  45 -13.587  16.327   3.747
  306    H4*    C  45           H4*        C  45 -11.756  16.196   5.221
  307    H3*    C  45           H3*        C  45 -11.209  18.013   2.890
  308   1H2*    C  45          1H2*        C  45  -9.036  18.461   3.809
  309   2HO*    C  45          2HO*        C  45  -9.915  16.999   6.100
  310    H1*    C  45           H1*        C  45  -8.462  15.796   4.462
  311   1H4     C  45           H41        C  45  -7.366  16.100  -2.031
  312   2H4     C  45           H42        C  45  -5.902  16.720  -1.303
  313    H5     C  45           H5         C  45  -9.362  15.592  -0.753
  314    H6     C  45           H6         C  45 -10.341  15.551   1.479
  315   1H5*    C  46          1H5*        C  46  -9.933  20.148   6.216
  316   2H5*    C  46          2H5*        C  46 -10.680  21.758   6.205
  317    H4*    C  46           H4*        C  46  -8.359  22.061   6.487
  318    H3*    C  46           H3*        C  46  -9.265  22.800   3.719
  319   1H2*    C  46          1H2*        C  46  -7.008  23.398   3.194
  320   2HO*    C  46          2HO*        C  46  -5.482  23.768   4.742
  321    H1*    C  46           H1*        C  46  -5.819  21.211   4.538
  322   1H4     C  46           H41        C  46  -7.672  18.980  -1.405
  323   2H4     C  46           H42        C  46  -5.976  19.389  -1.543
  324    H5     C  46           H5         C  46  -8.978  19.423   0.594
  325    H6     C  46           H6         C  46  -8.910  20.360   2.850
  326    H3T    C  46           H3T        C  46  -9.945  24.130   5.260
  327   1H    ARG  47          2H        ARG  47  -2.669  -6.589   3.006
  328   2H    ARG  47          1H        ARG  47  -1.818  -5.120   2.938
  329   3H    ARG  47          3H        ARG  47  -3.384  -5.224   2.290
  330    HA   ARG  47           HA       ARG  47  -2.622  -6.766   0.598
  331   1HB   ARG  47          2HB       ARG  47  -1.470  -4.037   0.931
  332   2HB   ARG  47          1HB       ARG  47  -0.786  -5.038  -0.350
  333   1HG   ARG  47          2HG       ARG  47  -3.236  -5.503  -1.035
  334   2HG   ARG  47          1HG       ARG  47  -3.645  -4.125  -0.009
  335   1HD   ARG  47          2HD       ARG  47  -2.473  -2.610  -1.359
  336   2HD   ARG  47          1HD       ARG  47  -1.474  -3.875  -2.078
  337    HE   ARG  47           HE       ARG  47  -4.189  -4.372  -2.784
  338   1HH1  ARG  47          1HH2      ARG  47  -1.538  -3.903  -4.438
  339   2HH1  ARG  47          2HH2      ARG  47  -2.111  -2.688  -5.529
  340   1HH2  ARG  47          1HH1      ARG  47  -4.971  -2.003  -3.680
  341   2HH2  ARG  47          2HH1      ARG  47  -4.049  -1.592  -5.088
   
  No H/Q in entry =         341