*HEADER   RIBONUCLEIC ACID                        03-JUN-98   1BGZ    
*TITLE    S8 RRNA BINDING SITE FROM E. COLI, NMR, 6 STRUCTURES        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: RNA;                                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: 16S RRNA BINDING SITE FOR S8;                    
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: RNA HAIRPIN                                 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: T7 POLYMERASE TRANSCRIPTION;                    
*SOURCE  3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI                      
*KEYWDS   RIBONUCLEIC ACID, 16S RRNA, INTERNAL LOOP, BASE TRIPLE      
*EXPDTA   NMR, 6 STRUCTURES                                           
*AUTHOR   K.KALURACHCHI,E.P.NIKONOWICZ                                
*REVDAT  1   13-JAN-99 1BGZ    0                                      
 
assign ( resid  1 and name  H8   ) ( resid  2 and name  H8   ) 4.20 2.0 0.8
assign ( resid  1 and name  H8   ) ( resid  1 and name  H1*  ) 3.80 2.0 0.8
assign ( resid  1 and name  H1*  ) ( resid  2 and name  H8   ) 4.30 2.4 0.5
assign ( resid  1 and name H2**  ) ( resid  2 and name  H8   ) 2.40 0.4 0.4
assign ( resid  1 and name  H3*  ) ( resid  1 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  1 and name  H4*  ) ( resid  1 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  1 and name  H4*  ) ( resid  1 and name H5**  ) 2.30 0.5 0.3
assign ( resid  2 and name  H8   ) ( resid  3 and name  H8   ) 4.70 1.6 0.5
assign ( resid  2 and name  H1   ) ( resid  3 and name  H1   ) 4.00 2.2 1.0
assign ( resid  2 and name  H8   ) ( resid  2 and name  H1*  ) 3.80 0.8 0.8
assign ( resid  2 and name  H1*  ) ( resid  3 and name  H8   ) 4.30 1.2 0.8
assign ( resid  2 and name H2**  ) ( resid  3 and name  H8   ) 2.20 0.3 0.3
assign ( resid  2 and name  H3*  ) ( resid  3 and name  H8   ) 3.30 1.8 0.4
assign ( resid  2 and name  H1*  ) ( resid  2 and name H2**  ) 2.80 0.4 0.2
assign ( resid  2 and name  H1*  ) ( resid  2 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  2 and name  H1*  ) ( resid  2 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  2 and name  H1*  ) ( resid  2 and name  H5*  ) 4.60 0.8 0.8
assign ( resid  2 and name H2**  ) ( resid  2 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  2 and name H2**  ) ( resid  2 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  2 and name  H3*  ) ( resid  2 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  2 and name  H4*  ) ( resid  2 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  2 and name  H4*  ) ( resid  2 and name H5**  ) 2.30 0.5 0.3
assign ( resid  2 and name H2**  ) ( resid  3 and name  H5*  ) 2.90 1.1 0.4
assign ( resid  2 and name H2**  ) ( resid  3 and name H5**  ) 4.30 2.5 1.1
assign ( resid  2 and name H2**  ) ( resid  3 and name  H3*  ) 4.60 2.8 1.1
assign ( resid  3 and name  H8   ) ( resid  4 and name  H8   ) 4.70 1.6 0.5
assign ( resid  3 and name  H1   ) ( resid  4 and name  H2   ) 4.80 1.0 0.5
assign ( resid  3 and name  H8   ) ( resid  3 and name  H1*  ) 3.80 2.0 0.8
assign ( resid  3 and name  H8   ) ( resid  3 and name H2**  ) 3.70 1.4 0.6
assign ( resid  3 and name  H1*  ) ( resid  4 and name  H8   ) 4.30 1.4 1.0
assign ( resid  3 and name H2**  ) ( resid  4 and name  H8   ) 2.40 0.6 0.3
assign ( resid  3 and name  H3*  ) ( resid  4 and name  H8   ) 4.00 2.2 0.8
assign ( resid  3 and name  H1*  ) ( resid  3 and name H2**  ) 2.80 0.4 0.2
assign ( resid  3 and name  H1*  ) ( resid  3 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  3 and name  H1*  ) ( resid  3 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  3 and name H2**  ) ( resid  3 and name  H3*  ) 2.40 0.4 0.4
assign ( resid  3 and name H2**  ) ( resid  3 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  3 and name  H3*  ) ( resid  3 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  3 and name  H4*  ) ( resid  3 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  3 and name  H4*  ) ( resid  3 and name H5**  ) 2.30 0.5 0.3
assign ( resid  3 and name H2**  ) ( resid  4 and name  H5*  ) 2.90 1.1 1.0
assign ( resid  3 and name H2**  ) ( resid  4 and name H5**  ) 4.50 2.7 1.1
assign ( resid  3 and name  H3*  ) ( resid  4 and name  H5*  ) 4.00 2.2 0.8
assign ( resid  4 and name  H8   ) ( resid  5 and name  H5   ) 3.60 1.8 1.4
assign ( resid  4 and name  H2   ) ( resid  5 and name  H5   ) 5.50 3.7 1.7
assign ( resid  4 and name  H2   ) ( resid 20 and name  H5   ) 6.00 2.5 1.8
assign ( resid  4 and name  H2   ) ( resid 21 and name  H6   ) 6.00 2.5 1.8
assign ( resid  4 and name  H2   ) ( resid 19 and name  H1   ) 5.00 3.2 1.2
assign ( resid  4 and name  H8   ) ( resid  4 and name  H1*  ) 3.80 2.0 0.8
assign ( resid  4 and name  H8   ) ( resid  4 and name H2**  ) 3.40 1.4 0.6
assign ( resid  4 and name  H8   ) ( resid  4 and name  H4*  ) 3.80 2.0 0.8
assign ( resid  4 and name  H2   ) ( resid 21 and name  H1*  ) 2.70 0.7 0.7
assign ( resid  4 and name  H2   ) ( resid  4 and name  H1*  ) 4.50 2.7 1.1
assign ( resid  4 and name  H2   ) ( resid  5 and name H2**  ) 4.50 2.7 1.1
assign ( resid  4 and name  H1*  ) ( resid  5 and name  H6   ) 4.80 2.6 1.2
assign ( resid  4 and name H2**  ) ( resid  5 and name  H6   ) 3.20 0.8 0.8
assign ( resid  4 and name H2**  ) ( resid  5 and name  H5   ) 4.40 1.2 0.8
assign ( resid  4 and name  H1*  ) ( resid  4 and name H2**  ) 2.80 0.4 0.2
assign ( resid  4 and name H2**  ) ( resid  4 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  4 and name H2**  ) ( resid  4 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  4 and name  H3*  ) ( resid  4 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  4 and name H2**  ) ( resid  5 and name  H5*  ) 4.90 3.1 1.2
assign ( resid  5 and name  H6   ) ( resid  6 and name  H8   ) 4.80 1.7 1.8
assign ( resid  5 and name  H6   ) ( resid  5 and name  H1*  ) 3.60 1.8 0.7
assign ( resid  5 and name  H6   ) ( resid  5 and name H2**  ) 2.20 0.4 0.3
assign ( resid  5 and name  H6   ) ( resid  5 and name  H3*  ) 2.80 1.0 1.0
assign ( resid  5 and name  H6   ) ( resid  5 and name  H4*  ) 4.00 2.2 0.8
assign ( resid  5 and name  H5   ) ( resid  5 and name H2**  ) 5.00 3.2 1.2
assign ( resid  5 and name  H5   ) ( resid  5 and name  H4*  ) 5.00 3.2 1.2
assign ( resid  5 and name  H1*  ) ( resid  6 and name  H8   ) 4.00 1.7 0.8
assign ( resid  5 and name H2**  ) ( resid  6 and name  H8   ) 4.20 2.4 1.0
assign ( resid  5 and name  H1*  ) ( resid  5 and name H2**  ) 3.03 0.5 0.5
assign ( resid  5 and name  H1*  ) ( resid  5 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  5 and name  H1*  ) ( resid  5 and name  H4*  ) 3.70 0.5 0.3
assign ( resid  5 and name H2**  ) ( resid  5 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  5 and name H2**  ) ( resid  5 and name  H4*  ) 3.90 0.3 0.3
assign ( resid  5 and name  H3*  ) ( resid  5 and name  H4*  ) 2.65 0.5 0.4
assign ( resid  5 and name  H4*  ) ( resid  5 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  5 and name H2**  ) ( resid  6 and name  H5*  ) 4.90 3.1 1.2
assign ( resid  5 and name  H1*  ) ( resid  7 and name  H5   ) 4.50 2.7 1.3
assign ( resid  5 and name  H4*  ) ( resid  6 and name  H8   ) 3.20 1.4 0.6
assign ( resid  5 and name  H5*  ) ( resid  6 and name  H8   ) 4.90 3.1 1.2
assign ( resid  5 and name  H3*  ) ( resid  5 and name  H5*  ) 3.80 2.0 0.8
assign ( resid  5 and name  H3*  ) ( resid  5 and name H5**  ) 2.80 1.0 0.4
assign ( resid  6 and name  H8   ) ( resid  7 and name  H6   ) 4.50 1.5 1.1
assign ( resid  6 and name  H8   ) ( resid  7 and name  H5   ) 4.20 2.4 1.0
assign ( resid  6 and name  H2   ) ( resid  7 and name  H6   ) 4.50 2.7 1.1
assign ( resid  6 and name  H8   ) ( resid  6 and name  H1*  ) 3.80 2.0 0.8
assign ( resid  6 and name  H2   ) ( resid  6 and name  H1*  ) 4.60 2.8 1.1
assign ( resid  6 and name  H2   ) ( resid  7 and name  H1*  ) 2.60 0.8 0.8
assign ( resid  6 and name  H2   ) ( resid 19 and name  H1   ) 5.00 3.2 1.5
assign ( resid  6 and name  H2   ) ( resid  7 and name H2**  ) 4.80 2.6 1.1
assign ( resid  6 and name  H1*  ) ( resid  7 and name  H6   ) 4.40 2.6 1.1
assign ( resid  6 and name H2**  ) ( resid  7 and name  H6   ) 2.40 0.3 0.3
assign ( resid  6 and name  H3*  ) ( resid  7 and name  H5   ) 3.40 1.6 0.7
assign ( resid  6 and name  H3*  ) ( resid  7 and name  H6   ) 3.20 0.7 0.7
assign ( resid  6 and name  H1*  ) ( resid  6 and name H2**  ) 2.80 0.6 0.6
assign ( resid  6 and name  H1*  ) ( resid  6 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  6 and name  H1*  ) ( resid  6 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  6 and name H2**  ) ( resid  6 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  6 and name H2**  ) ( resid  6 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  6 and name  H3*  ) ( resid  6 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  6 and name H2**  ) ( resid  7 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  6 and name H2**  ) ( resid  7 and name H5**  ) 4.30 2.5 1.1
assign ( resid  7 and name  H5   ) ( resid  8 and name  H5   ) 4.20 2.4 0.8
assign ( resid  7 and name  H6   ) ( resid  7 and name  H1*  ) 3.60 1.8 0.7
assign ( resid  7 and name  H6   ) ( resid  7 and name  H3*  ) 4.20 2.4 1.0
assign ( resid  7 and name  H6   ) ( resid  7 and name H5**  ) 4.40 2.6 1.1
assign ( resid  7 and name  H5   ) ( resid  7 and name H2**  ) 4.00 2.2 1.0
assign ( resid  7 and name  H5   ) ( resid  7 and name  H3*  ) 3.50 1.7 1.7
assign ( resid  7 and name  H1*  ) ( resid  8 and name  H6   ) 4.00 2.2 0.8
assign ( resid  7 and name H2**  ) ( resid  8 and name  H6   ) 2.60 0.4 0.4
assign ( resid  7 and name H2**  ) ( resid  8 and name  H5   ) 4.20 2.4 0.8
assign ( resid  7 and name  H3*  ) ( resid  8 and name  H5   ) 4.80 3.0 1.2
assign ( resid  7 and name  H1*  ) ( resid  7 and name H2**  ) 2.80 0.4 0.2
assign ( resid  7 and name  H1*  ) ( resid  7 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  7 and name  H1*  ) ( resid  7 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  7 and name H2**  ) ( resid  7 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  7 and name H2**  ) ( resid  7 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  7 and name  H3*  ) ( resid  7 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  7 and name  H4*  ) ( resid  7 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  7 and name  H4*  ) ( resid  7 and name H5**  ) 2.30 0.5 0.3
assign ( resid  7 and name H2**  ) ( resid  8 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  7 and name H2**  ) ( resid  8 and name H5**  ) 4.30 2.5 1.1
assign ( resid  7 and name  H4*  ) ( resid  8 and name  H1*  ) 4.60 2.8 2.1
assign ( resid  8 and name  H3   ) ( resid  9 and name  H8   ) 4.50 2.7 1.1
assign ( resid  8 and name  H3   ) ( resid  9 and name  H1   ) 4.50 2.7 1.1
assign ( resid  8 and name  H3   ) ( resid 16 and name  H3   ) 4.50 2.7 1.1
assign ( resid  8 and name  H3   ) ( resid 17 and name  H2   ) 5.00 1.5 1.2
assign ( resid  8 and name  H3   ) ( resid 18 and name  H2   ) 2.60 1.2 0.5
assign ( resid  8 and name  H3   ) ( resid 19 and name  H1   ) 4.50 0.3 1.1
assign ( resid  8 and name  H6   ) ( resid  8 and name  H1*  ) 3.60 1.8 0.7
assign ( resid  8 and name  H6   ) ( resid  8 and name H2**  ) 3.40 1.6 0.7
assign ( resid  8 and name  H6   ) ( resid  8 and name  H3*  ) 2.80 1.0 1.4
assign ( resid  8 and name  H1*  ) ( resid  9 and name  H8   ) 4.40 2.6 1.1
assign ( resid  8 and name H2**  ) ( resid  9 and name  H8   ) 2.70 0.4 0.4
assign ( resid  8 and name  H3*  ) ( resid  9 and name  H8   ) 3.00 1.2 0.5
assign ( resid  8 and name  H1*  ) ( resid  8 and name H2**  ) 2.80 0.4 0.2
assign ( resid  8 and name  H1*  ) ( resid  8 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  8 and name  H1*  ) ( resid  8 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  8 and name H2**  ) ( resid  8 and name  H3*  ) 2.80 0.4 0.4
assign ( resid  8 and name H2**  ) ( resid  8 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  8 and name  H3*  ) ( resid  8 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  8 and name H2**  ) ( resid  9 and name  H5*  ) 2.90 1.1 0.4
assign ( resid  8 and name H2**  ) ( resid  9 and name H5**  ) 4.50 2.7 1.1
assign ( resid  9 and name  H8   ) ( resid 10 and name  H5   ) 4.20 2.0 0.8
assign ( resid  9 and name  H1   ) ( resid 15 and name  H1   ) 4.00 2.2 0.8
assign ( resid  9 and name  H1   ) ( resid 17 and name  H2   ) 4.80 3.0 1.2
assign ( resid  9 and name  H8   ) ( resid  9 and name  H1*  ) 3.80 2.0 0.8
assign ( resid  9 and name  H8   ) ( resid  9 and name  H3*  ) 3.80 2.0 1.2
assign ( resid  9 and name  H8   ) ( resid  9 and name  H4*  ) 3.40 1.4 0.8
assign ( resid  9 and name  H8   ) ( resid  9 and name H5**  ) 3.60 1.8 0.7
assign ( resid  9 and name  H1*  ) ( resid 10 and name  H6   ) 4.20 2.4 1.0
assign ( resid  9 and name H2**  ) ( resid 10 and name  H6   ) 2.50 0.3 0.3
assign ( resid  9 and name H2**  ) ( resid 10 and name  H5   ) 3.50 1.7 0.7
assign ( resid  9 and name  H3*  ) ( resid 10 and name  H6   ) 2.60 0.4 0.4
assign ( resid  9 and name  H1*  ) ( resid  9 and name H2**  ) 2.80 0.4 0.2
assign ( resid  9 and name  H1*  ) ( resid  9 and name  H3*  ) 3.90 0.5 0.5
assign ( resid  9 and name  H1*  ) ( resid  9 and name  H4*  ) 3.40 0.5 0.3
assign ( resid  9 and name H2**  ) ( resid  9 and name  H3*  ) 2.40 0.3 0.3
assign ( resid  9 and name H2**  ) ( resid  9 and name  H4*  ) 3.80 0.3 0.3
assign ( resid  9 and name  H3*  ) ( resid  9 and name  H4*  ) 3.00 0.5 0.5
assign ( resid  9 and name  H4*  ) ( resid  9 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  9 and name  H4*  ) ( resid  9 and name H5**  ) 2.30 0.5 0.3
assign ( resid  9 and name H2**  ) ( resid 10 and name  H5*  ) 2.60 0.8 0.4
assign ( resid  9 and name H2**  ) ( resid 10 and name H5**  ) 4.30 2.5 1.1
assign ( resid  9 and name  H1*  ) ( resid 18 and name  H2   ) 2.60 0.4 0.4
assign ( resid  9 and name  H4*  ) ( resid 10 and name  H5*  ) 4.10 2.3 1.0
assign ( resid 10 and name  H6   ) ( resid 11 and name  H5   ) 3.50 1.7 0.7
assign ( resid 10 and name  H6   ) ( resid 10 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 10 and name  H1*  ) ( resid 11 and name  H6   ) 4.40 2.6 1.1
assign ( resid 10 and name  H3*  ) ( resid 11 and name  H6   ) 2.20 0.2 0.2
assign ( resid 10 and name  H1*  ) ( resid 10 and name H2**  ) 2.80 0.4 0.2
assign ( resid 10 and name  H1*  ) ( resid 10 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 10 and name  H1*  ) ( resid 10 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 10 and name H2**  ) ( resid 10 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 10 and name H2**  ) ( resid 10 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 10 and name  H3*  ) ( resid 10 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 10 and name H2**  ) ( resid 11 and name  H5*  ) 2.60 0.8 0.6
assign ( resid 10 and name H2**  ) ( resid 11 and name H5**  ) 4.30 2.5 1.1
assign ( resid 10 and name  H5   ) ( resid 11 and name  H5   ) 4.20 2.4 1.0
assign ( resid 10 and name  H1*  ) ( resid 11 and name  H5   ) 3.80 2.0 1.0
assign ( resid 10 and name  H1*  ) ( resid 11 and name  H1*  ) 4.60 2.8 1.1
assign ( resid 11 and name  H6   ) ( resid 11 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 11 and name  H6   ) ( resid 11 and name H2**  ) 3.00 1.2 1.0
assign ( resid 11 and name  H6   ) ( resid 11 and name  H3*  ) 2.40 0.6 1.3
assign ( resid 11 and name  H6   ) ( resid 11 and name  H4*  ) 3.60 1.8 0.7
assign ( resid 11 and name  H1*  ) ( resid 12 and name  H6   ) 5.00 1.8 1.3
assign ( resid 11 and name H2**  ) ( resid 12 and name  H6   ) 4.40 2.6 1.1
assign ( resid 11 and name  H1*  ) ( resid 11 and name H2**  ) 2.80 0.4 0.2
assign ( resid 11 and name  H1*  ) ( resid 11 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 11 and name  H1*  ) ( resid 11 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 11 and name H2**  ) ( resid 11 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 11 and name H2**  ) ( resid 11 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 11 and name  H3*  ) ( resid 11 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 11 and name  H4*  ) ( resid 11 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 11 and name  H4*  ) ( resid 11 and name H5**  ) 2.30 0.5 0.5
assign ( resid 11 and name H2**  ) ( resid 12 and name  H3*  ) 4.80 3.0 1.2
assign ( resid 11 and name  H4*  ) ( resid 12 and name  H6   ) 3.80 2.0 1.2
assign ( resid 11 and name  H4*  ) ( resid 12 and name  H5*  ) 4.10 2.3 1.0
assign ( resid 12 and name  H6   ) ( resid 13 and name  H6   ) 4.50 1.4 2.0
assign ( resid 12 and name  H6   ) ( resid 12 and name  H1*  ) 3.20 1.4 0.6
assign ( resid 12 and name  H6   ) ( resid 12 and name H2**  ) 2.30 0.5 0.3
assign ( resid 12 and name  H6   ) ( resid 12 and name  H3*  ) 3.00 1.2 1.0
assign ( resid 12 and name  H6   ) ( resid 12 and name  H4*  ) 3.60 1.8 0.7
assign ( resid 12 and name  H6   ) ( resid 12 and name H5**  ) 4.80 3.0 1.2
assign ( resid 12 and name  H6   ) ( resid 12 and name  H5*  ) 4.50 2.7 1.1
assign ( resid 12 and name  H1*  ) ( resid 13 and name  H6   ) 3.00 1.2 1.0
assign ( resid 12 and name H2**  ) ( resid 13 and name  H6   ) 3.60 1.8 1.7
assign ( resid 12 and name  H3*  ) ( resid 13 and name  H6   ) 2.50 0.5 1.0
assign ( resid 12 and name  H1*  ) ( resid 12 and name H2**  ) 3.03 0.2 0.5
assign ( resid 12 and name  H1*  ) ( resid 12 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 12 and name  H1*  ) ( resid 12 and name  H4*  ) 3.70 0.3 0.3
assign ( resid 12 and name H2**  ) ( resid 12 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 12 and name H2**  ) ( resid 12 and name  H4*  ) 3.90 0.3 0.3
assign ( resid 12 and name  H3*  ) ( resid 12 and name  H4*  ) 2.65 0.4 0.4
assign ( resid 12 and name  H3*  ) ( resid 12 and name H5**  ) 2.90 1.1 0.4
assign ( resid 12 and name  H4*  ) ( resid 12 and name  H5*  ) 2.50 0.7 0.7
assign ( resid 12 and name  H4*  ) ( resid 12 and name H5**  ) 2.50 0.7 0.7
assign ( resid 12 and name  H3*  ) ( resid 13 and name H2**  ) 4.50 2.7 1.1
assign ( resid 12 and name  H4*  ) ( resid 13 and name  H5*  ) 2.80 0.7 1.0
assign ( resid 12 and name  H5*  ) ( resid 13 and name  H6   ) 5.20 3.4 1.6
assign ( resid 12 and name H5**  ) ( resid 13 and name  H6   ) 5.00 3.2 1.2
assign ( resid 12 and name  H5*  ) ( resid 13 and name  H5   ) 3.60 1.8 1.2
assign ( resid 12 and name H5**  ) ( resid 13 and name  H5   ) 3.60 1.8 1.0
assign ( resid 13 and name  H6   ) ( resid 13 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 13 and name  H6   ) ( resid 13 and name H2**  ) 2.20 0.4 0.3
assign ( resid 13 and name  H5   ) ( resid 13 and name H2**  ) 4.80 3.0 1.2
assign ( resid 13 and name  H1*  ) ( resid 14 and name  H8   ) 4.00 2.2 1.4
assign ( resid 13 and name  H1*  ) ( resid 13 and name H2**  ) 3.03 0.2 0.5
assign ( resid 13 and name  H1*  ) ( resid 13 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 13 and name  H1*  ) ( resid 13 and name  H4*  ) 3.70 0.3 0.3
assign ( resid 13 and name H2**  ) ( resid 13 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 13 and name H2**  ) ( resid 13 and name  H4*  ) 3.90 0.3 0.3
assign ( resid 13 and name  H3*  ) ( resid 13 and name  H4*  ) 2.65 0.4 0.4
assign ( resid 13 and name  H4*  ) ( resid 13 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 13 and name  H4*  ) ( resid 13 and name H5**  ) 2.30 0.5 0.5
assign ( resid 13 and name  H4*  ) ( resid 14 and name  H3*  ) 4.90 3.0 1.2
assign ( resid 13 and name  H4*  ) ( resid 14 and name  H4*  ) 4.20 2.4 1.4
assign ( resid 13 and name  H4*  ) ( resid 14 and name  H5*  ) 4.80 3.0 1.2
assign ( resid 13 and name  H4*  ) ( resid 14 and name H5**  ) 4.80 3.0 1.2
assign ( resid 14 and name  H8   ) ( resid 15 and name  H8   ) 5.00 1.2 1.2
assign ( resid 14 and name  H8   ) ( resid 14 and name  H1*  ) 2.20 0.4 0.3
assign ( resid 14 and name  H8   ) ( resid 14 and name H2**  ) 2.80 1.0 1.0
assign ( resid 14 and name  H1*  ) ( resid 15 and name  H8   ) 4.80 3.0 1.2
assign ( resid 14 and name  H3*  ) ( resid 15 and name  H8   ) 3.20 1.4 0.6
assign ( resid 14 and name  H1*  ) ( resid 14 and name H2**  ) 2.80 0.4 0.2
assign ( resid 14 and name  H1*  ) ( resid 14 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 14 and name  H1*  ) ( resid 14 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 14 and name H2**  ) ( resid 14 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 14 and name H2**  ) ( resid 14 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 14 and name  H3*  ) ( resid 14 and name  H4*  ) 2.65 0.4 0.4
assign ( resid 14 and name  H3*  ) ( resid 14 and name  H5*  ) 3.65 1.9 0.7
assign ( resid 14 and name  H3*  ) ( resid 14 and name H5**  ) 3.65 1.9 0.7
assign ( resid 14 and name  H4*  ) ( resid 14 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 14 and name  H4*  ) ( resid 14 and name H5**  ) 2.30 0.5 0.5
assign ( resid 14 and name H2**  ) ( resid 15 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 14 and name  H3*  ) ( resid 15 and name  H4*  ) 5.00 3.2 1.2
assign ( resid 14 and name  H4*  ) ( resid 15 and name  H4*  ) 5.10 3.1 1.6
assign ( resid 14 and name  H1   ) ( resid 15 and name  H1   ) 4.60 2.8 1.1
assign ( resid 15 and name  H8   ) ( resid 16 and name  H6   ) 4.00 1.2 0.8
assign ( resid 15 and name  H8   ) ( resid 16 and name  H5   ) 4.40 2.6 1.1
assign ( resid 15 and name  H8   ) ( resid 15 and name  H1*  ) 3.80 2.0 0.8
assign ( resid 15 and name  H8   ) ( resid 15 and name  H3*  ) 2.50 0.7 1.3
assign ( resid 15 and name  H8   ) ( resid 15 and name  H5*  ) 3.00 1.2 1.0
assign ( resid 15 and name  H1*  ) ( resid 16 and name  H6   ) 4.40 2.6 1.1
assign ( resid 15 and name H2**  ) ( resid 16 and name  H6   ) 3.00 1.2 0.5
assign ( resid 15 and name H2**  ) ( resid 16 and name  H5   ) 5.30 3.5 1.6
assign ( resid 15 and name  H1*  ) ( resid 15 and name H2**  ) 2.80 0.4 0.2
assign ( resid 15 and name  H1*  ) ( resid 15 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 15 and name  H1*  ) ( resid 15 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 15 and name H2**  ) ( resid 15 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 15 and name  H3*  ) ( resid 15 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 15 and name  H4*  ) ( resid 15 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 15 and name H2**  ) ( resid 16 and name  H5*  ) 2.60 0.8 0.8
assign ( resid 15 and name H2**  ) ( resid 16 and name H5**  ) 4.30 2.5 1.1
assign ( resid 15 and name  H1   ) ( resid 16 and name  H3   ) 4.00 2.2 0.8
assign ( resid 16 and name  H6   ) ( resid 17 and name  H8   ) 4.40 0.5 1.1
assign ( resid 16 and name  H6   ) ( resid 16 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 16 and name  H6   ) ( resid 16 and name  H4*  ) 3.60 1.8 0.7
assign ( resid 16 and name  H1*  ) ( resid 17 and name  H8   ) 4.60 2.8 1.1
assign ( resid 16 and name H2**  ) ( resid 17 and name  H8   ) 2.80 1.0 0.4
assign ( resid 16 and name  H3*  ) ( resid 17 and name  H8   ) 2.60 0.8 0.4
assign ( resid 16 and name  H1*  ) ( resid 16 and name H2**  ) 2.80 0.4 0.2
assign ( resid 16 and name  H1*  ) ( resid 16 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 16 and name  H1*  ) ( resid 16 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 16 and name H2**  ) ( resid 16 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 16 and name H2**  ) ( resid 16 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 16 and name  H3*  ) ( resid 16 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 16 and name  H4*  ) ( resid 16 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 16 and name  H4*  ) ( resid 16 and name H5**  ) 2.30 0.5 0.3
assign ( resid 16 and name H2**  ) ( resid 17 and name  H5*  ) 4.90 3.1 1.2
assign ( resid 16 and name  H1*  ) ( resid 17 and name  H1*  ) 4.50 2.7 1.1
assign ( resid 16 and name H2**  ) ( resid 17 and name  H1*  ) 4.00 2.2 0.8
assign ( resid 16 and name H2**  ) ( resid 17 and name H2**  ) 5.00 2.7 1.2
assign ( resid 16 and name H2**  ) ( resid 17 and name  H3*  ) 5.00 3.2 1.2
assign ( resid 16 and name H2**  ) ( resid 17 and name  H4*  ) 4.80 3.0 1.2
assign ( resid 16 and name  H3*  ) ( resid 17 and name  H1*  ) 4.20 2.4 1.0
assign ( resid 16 and name  H3   ) ( resid 17 and name  H2   ) 3.50 1.7 0.7
assign ( resid 17 and name  H8   ) ( resid 18 and name  H8   ) 4.50 2.5 1.5
assign ( resid 17 and name  H2   ) ( resid  7 and name  H5   ) 5.50 3.7 1.7
assign ( resid 17 and name  H8   ) ( resid 17 and name  H1*  ) 3.80 2.0 0.8
assign ( resid 17 and name  H8   ) ( resid 17 and name H2**  ) 2.20 0.4 0.3
assign ( resid 17 and name  H8   ) ( resid 17 and name  H3*  ) 2.40 0.6 1.3
assign ( resid 17 and name  H8   ) ( resid 17 and name  H4*  ) 4.20 2.4 1.0
assign ( resid 17 and name  H2   ) ( resid 17 and name  H1*  ) 5.30 3.5 1.6
assign ( resid 17 and name  H1*  ) ( resid 18 and name  H8   ) 4.20 1.0 1.0
assign ( resid 17 and name  H3*  ) ( resid 18 and name  H8   ) 3.80 2.0 0.8
assign ( resid 17 and name  H1*  ) ( resid 17 and name H2**  ) 3.03 0.5 0.5
assign ( resid 17 and name  H1*  ) ( resid 17 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 17 and name  H1*  ) ( resid 17 and name  H4*  ) 3.60 0.5 0.3
assign ( resid 17 and name H2**  ) ( resid 17 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 17 and name H2**  ) ( resid 17 and name  H4*  ) 3.90 0.3 0.3
assign ( resid 17 and name  H3*  ) ( resid 17 and name  H4*  ) 2.65 0.5 0.4
assign ( resid 17 and name  H4*  ) ( resid 17 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 17 and name  H4*  ) ( resid 17 and name H5**  ) 2.30 0.5 0.5
assign ( resid 17 and name H2**  ) ( resid 18 and name  H5*  ) 4.90 3.1 1.2
assign ( resid 17 and name  H2   ) ( resid  9 and name  H1*  ) 5.50 3.7 1.7
assign ( resid 17 and name H2**  ) ( resid 18 and name H2**  ) 5.00 3.2 1.5
assign ( resid 17 and name  H4*  ) ( resid 18 and name  H8   ) 3.00 1.2 1.2
assign ( resid 17 and name  H3*  ) ( resid 17 and name  H5*  ) 3.80 2.0 0.8
assign ( resid 17 and name  H3*  ) ( resid 17 and name H5**  ) 3.80 2.0 0.8
assign ( resid 18 and name  H8   ) ( resid 19 and name  H8   ) 4.50 1.2 0.8
assign ( resid 18 and name  H8   ) ( resid 18 and name  H1*  ) 3.80 2.0 0.8
assign ( resid 18 and name  H8   ) ( resid 18 and name H2**  ) 3.80 2.0 0.8
assign ( resid 18 and name  H8   ) ( resid 18 and name  H5*  ) 3.40 1.6 0.7
assign ( resid 18 and name  H1*  ) ( resid 19 and name  H8   ) 3.80 2.0 0.8
assign ( resid 18 and name H2**  ) ( resid 19 and name  H8   ) 2.20 0.4 0.3
assign ( resid 18 and name  H3*  ) ( resid 19 and name  H8   ) 2.60 0.4 0.4
assign ( resid 18 and name  H1*  ) ( resid 18 and name H2**  ) 2.80 0.4 0.2
assign ( resid 18 and name  H1*  ) ( resid 18 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 18 and name  H1*  ) ( resid 18 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 18 and name H2**  ) ( resid 18 and name  H3*  ) 2.60 0.4 0.4
assign ( resid 18 and name H2**  ) ( resid 18 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 18 and name  H3*  ) ( resid 18 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 18 and name  H4*  ) ( resid 18 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 18 and name  H4*  ) ( resid 18 and name H5**  ) 2.30 0.5 0.5
assign ( resid 18 and name H2**  ) ( resid 19 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 18 and name H2**  ) ( resid 19 and name H5**  ) 4.30 2.5 1.1
assign ( resid 18 and name  H2   ) ( resid 19 and name  H1*  ) 2.60 0.4 0.4
assign ( resid 18 and name  H1*  ) ( resid 19 and name  H1*  ) 4.80 2.8 1.0
assign ( resid 18 and name H2**  ) ( resid 19 and name  H1*  ) 4.40 2.6 1.1
assign ( resid 18 and name H2**  ) ( resid 18 and name  H5*  ) 4.20 2.4 1.0
assign ( resid 18 and name H2**  ) ( resid 18 and name H5**  ) 4.20 2.4 1.0
assign ( resid 18 and name C6    ) ( resid 19 and name  C6   ) 4.50 0.5 0.3
assign ( resid 19 and name  H8   ) ( resid 20 and name  H5   ) 3.60 1.8 1.0
assign ( resid 19 and name  H8   ) ( resid 19 and name  H1*  ) 3.90 2.0 1.0
assign ( resid 19 and name  H8   ) ( resid 19 and name  H3*  ) 2.80 1.0 1.4
assign ( resid 19 and name  H8   ) ( resid 19 and name  H4*  ) 4.00 2.2 0.8
assign ( resid 19 and name  H1*  ) ( resid 20 and name  H6   ) 4.60 2.8 1.1
assign ( resid 19 and name H2**  ) ( resid 20 and name  H6   ) 2.60 0.4 0.4
assign ( resid 19 and name  H3*  ) ( resid 20 and name  H5   ) 4.50 2.3 1.1
assign ( resid 19 and name  H3*  ) ( resid 20 and name  H6   ) 4.00 2.2 0.8
assign ( resid 19 and name  H1*  ) ( resid 19 and name H2**  ) 2.80 0.4 0.2
assign ( resid 19 and name  H1*  ) ( resid 19 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 19 and name  H1*  ) ( resid 19 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 19 and name H2**  ) ( resid 19 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 19 and name H2**  ) ( resid 19 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 19 and name  H3*  ) ( resid 19 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 19 and name  H4*  ) ( resid 19 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 19 and name  H4*  ) ( resid 19 and name H5**  ) 2.30 0.5 0.3
assign ( resid 19 and name H2**  ) ( resid 20 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 19 and name H2**  ) ( resid 20 and name H5**  ) 4.30 2.5 1.1
assign ( resid 19 and name  H1*  ) ( resid 20 and name  H1*  ) 5.50 1.2 1.3
assign ( resid 19 and name  H1*  ) ( resid 20 and name  H5   ) 4.90 1.4 1.6
assign ( resid 19 and name  H4*  ) ( resid 20 and name  H6   ) 5.30 3.5 1.6
assign ( resid 20 and name  H6   ) ( resid 21 and name  H6   ) 4.50 1.0 1.2
assign ( resid 20 and name  H6   ) ( resid 21 and name  H5   ) 3.80 2.0 1.8
assign ( resid 20 and name  H6   ) ( resid 20 and name  H1*  ) 3.80 2.0 0.8
assign ( resid 20 and name  H6   ) ( resid 20 and name H2**  ) 4.00 2.2 0.8
assign ( resid 20 and name  H6   ) ( resid 20 and name  H3*  ) 2.90 0.5 0.5
assign ( resid 20 and name  H6   ) ( resid 20 and name  H4*  ) 4.10 2.3 1.0
assign ( resid 20 and name  H6   ) ( resid 20 and name  H5*  ) 4.20 2.4 1.0
assign ( resid 20 and name  H5   ) ( resid 20 and name  H1*  ) 4.20 2.0 1.0
assign ( resid 20 and name  H1*  ) ( resid 21 and name  H6   ) 4.60 2.8 1.1
assign ( resid 20 and name H2**  ) ( resid 21 and name  H6   ) 2.30 0.3 0.3
assign ( resid 20 and name H2**  ) ( resid 21 and name  H5   ) 3.20 1.4 0.6
assign ( resid 20 and name  H3*  ) ( resid 21 and name  H5   ) 4.60 2.8 1.1
assign ( resid 20 and name  H3*  ) ( resid 21 and name  H6   ) 2.80 1.0 1.0
assign ( resid 20 and name  H1*  ) ( resid 20 and name H2**  ) 2.80 0.4 0.2
assign ( resid 20 and name  H1*  ) ( resid 20 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 20 and name  H1*  ) ( resid 20 and name  H4*  ) 3.70 0.5 0.3
assign ( resid 20 and name H2**  ) ( resid 20 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 20 and name H2**  ) ( resid 20 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 20 and name  H3*  ) ( resid 20 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 20 and name  H4*  ) ( resid 20 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 20 and name  H4*  ) ( resid 20 and name H5**  ) 2.30 0.5 0.3
assign ( resid 20 and name H2**  ) ( resid 21 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 20 and name H2**  ) ( resid 21 and name H5**  ) 4.30 2.5 1.1
assign ( resid 21 and name  H6   ) ( resid 22 and name  H6   ) 4.40 1.6 1.1
assign ( resid 21 and name  H6   ) ( resid 22 and name  H5   ) 4.50 1.1 0.5
assign ( resid 21 and name  H6   ) ( resid 21 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 21 and name  H6   ) ( resid 21 and name H2**  ) 4.00 1.8 0.5
assign ( resid 21 and name  H6   ) ( resid 21 and name  H3*  ) 2.80 0.5 0.5
assign ( resid 21 and name  H6   ) ( resid 21 and name  H4*  ) 3.90 2.0 0.8
assign ( resid 21 and name  H5   ) ( resid 21 and name  H3*  ) 4.30 1.7 0.7
assign ( resid 21 and name  H1*  ) ( resid 22 and name  H6   ) 4.40 1.4 1.0
assign ( resid 21 and name H2**  ) ( resid 22 and name  H6   ) 2.30 0.3 0.3
assign ( resid 21 and name H2**  ) ( resid 22 and name  H5   ) 3.20 1.2 0.8
assign ( resid 21 and name  H3*  ) ( resid 22 and name  H6   ) 3.20 1.4 0.6
assign ( resid 21 and name  H1*  ) ( resid 21 and name H2**  ) 2.80 0.4 0.2
assign ( resid 21 and name  H1*  ) ( resid 21 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 21 and name  H1*  ) ( resid 21 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 21 and name H2**  ) ( resid 21 and name  H3*  ) 2.60 0.4 0.4
assign ( resid 21 and name H2**  ) ( resid 21 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 21 and name  H3*  ) ( resid 21 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 21 and name  H4*  ) ( resid 21 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 21 and name  H4*  ) ( resid 21 and name H5**  ) 2.30 0.5 0.3
assign ( resid 21 and name H2**  ) ( resid 22 and name  H5*  ) 2.80 1.0 0.4
assign ( resid 21 and name H2**  ) ( resid 22 and name H5**  ) 4.50 2.7 1.1
assign ( resid 22 and name  H6   ) ( resid 23 and name  H6   ) 4.50 1.2 0.8
assign ( resid 22 and name  H6   ) ( resid 22 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 22 and name  H6   ) ( resid 22 and name H2**  ) 4.00 2.2 0.5
assign ( resid 22 and name  H6   ) ( resid 22 and name  H5*  ) 3.50 1.8 0.7
assign ( resid 22 and name  H6   ) ( resid 22 and name H5**  ) 3.50 1.8 0.7
assign ( resid 22 and name  H1*  ) ( resid 23 and name  H6   ) 4.50 2.4 1.0
assign ( resid 22 and name H2**  ) ( resid 23 and name  H6   ) 2.40 0.6 0.3
assign ( resid 22 and name  H1*  ) ( resid 22 and name H2**  ) 2.80 0.4 0.2
assign ( resid 22 and name  H1*  ) ( resid 22 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 22 and name  H1*  ) ( resid 22 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 22 and name H2**  ) ( resid 22 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 22 and name H2**  ) ( resid 22 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 22 and name  H3*  ) ( resid 22 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 22 and name  H4*  ) ( resid 22 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 22 and name  H4*  ) ( resid 22 and name H5**  ) 2.30 0.5 0.3
assign ( resid 22 and name H2**  ) ( resid 23 and name  H5*  ) 2.60 0.8 0.4
assign ( resid 22 and name H2**  ) ( resid 23 and name H5**  ) 4.30 2.5 1.1
assign ( resid 23 and name  H6   ) ( resid 23 and name  H1*  ) 3.60 1.8 0.7
assign ( resid 23 and name  H1*  ) ( resid 23 and name H2**  ) 2.80 0.4 0.2
assign ( resid 23 and name  H1*  ) ( resid 23 and name  H3*  ) 3.90 0.5 0.5
assign ( resid 23 and name  H1*  ) ( resid 23 and name  H4*  ) 3.40 0.5 0.3
assign ( resid 23 and name H2**  ) ( resid 23 and name  H3*  ) 2.40 0.3 0.3
assign ( resid 23 and name H2**  ) ( resid 23 and name  H4*  ) 3.80 0.3 0.3
assign ( resid 23 and name  H3*  ) ( resid 23 and name  H4*  ) 3.00 0.5 0.5
assign ( resid 23 and name  H4*  ) ( resid 23 and name  H5*  ) 3.50 1.7 0.7
assign ( resid 23 and name  H4*  ) ( resid 23 and name H5**  ) 2.50 0.7 0.3
assign ( resid  1 and name  H8   ) ( resid  1 and name H2**  ) 3.80 1.4 0.6
assign ( resid  2 and name  H1   ) ( resid  2 and name H2**  ) 5.50 2.2 1.0
assign ( resid  2 and name  H1   ) ( resid  3 and name  H1*  ) 5.00 1.2 0.5
assign ( resid  2 and name  H1   ) ( resid 22 and name  H5   ) 4.70 2.9 1.2
assign ( resid  2 and name  H1   ) ( resid 23 and name  H5   ) 4.40 2.6 1.0
assign ( resid  2 and name  H8   ) ( resid  2 and name H2**  ) 3.80 1.4 0.6
assign ( resid  3 and name  H1   ) ( resid 21 and name  H5   ) 4.80 0.8 1.0
assign ( resid  3 and name  H1   ) ( resid 22 and name  H5   ) 4.60 0.6 1.0
assign ( resid  3 and name  H8   ) ( resid  3 and name  H3*  ) 3.00 1.0 1.5
assign ( resid  3 and name  H8   ) ( resid  3 and name  H5*  ) 3.80 2.0 0.8
assign ( resid  3 and name  H8   ) ( resid  3 and name H5**  ) 4.50 2.7 1.0
assign ( resid  5 and name  H1*  ) ( resid  4 and name H2**  ) 4.00 2.0 1.0
assign ( resid  5 and name  H1*  ) ( resid  7 and name  H6   ) 5.80 1.0 1.2
assign ( resid  5 and name  H5   ) ( resid  4 and name  H1*  ) 5.00 2.0 1.2
assign ( resid  5 and name  H5   ) ( resid  5 and name  H1*  ) 5.00 2.0 1.0
assign ( resid  5 and name  H5   ) ( resid  5 and name  H3*  ) 5.00 2.0 1.2
assign ( resid  5 and name  H6   ) ( resid  5 and name H2**  ) 2.30 0.5 0.5
assign ( resid  6 and name H2**  ) ( resid  7 and name  H5   ) 4.00 2.2 0.8
assign ( resid  6 and name  H8   ) ( resid  5 and name  H3*  ) 4.50 2.5 1.0
assign ( resid  6 and name  H8   ) ( resid  6 and name H2**  ) 4.50 2.5 1.0
assign ( resid  6 and name  H8   ) ( resid  6 and name  H3*  ) 4.50 2.5 1.0
assign ( resid  6 and name  H8   ) ( resid  6 and name  H4*  ) 4.50 2.5 1.0
assign ( resid  6 and name  H2   ) ( resid  7 and name  H4*  ) 5.50 1.5 1.5
assign ( resid  7 and name  H6   ) ( resid  8 and name  H6   ) 4.50 1.5 1.5
assign ( resid  7 and name  H6   ) ( resid  8 and name  H5   ) 4.20 2.4 1.0
assign ( resid  7 and name  H5   ) ( resid 19 and name  H1   ) 5.00 3.2 0.7
assign ( resid  7 and name  H1*  ) ( resid  6 and name H2**  ) 4.60 2.0 0.8
assign ( resid  7 and name  H6   ) ( resid  7 and name H2**  ) 3.80 1.8 1.0
assign ( resid  8 and name  H5   ) ( resid 16 and name  H3   ) 5.00 3.2 0.7
assign ( resid  8 and name  H5   ) ( resid 19 and name  H1   ) 5.50 3.2 1.0
assign ( resid  8 and name H2**  ) ( resid  8 and name  H5   ) 5.20 3.4 0.8
assign ( resid  8 and name  H3*  ) ( resid  8 and name  H5   ) 4.50 2.5 0.8
assign ( resid  8 and name  H6   ) ( resid  9 and name  H8   ) 4.40 1.5 1.3
assign ( resid  9 and name  H1   ) ( resid 16 and name  H3   ) 2.35 0.3 0.7
assign ( resid  9 and name  H1   ) ( resid  9 and name H2**  ) 5.80 2.2 0.8
assign ( resid  9 and name  H1   ) ( resid 16 and name  H1*  ) 5.00 3.2 0.6
assign ( resid  9 and name  H8   ) ( resid  9 and name  H5*  ) 3.80 2.0 1.0
assign ( resid  9 and name  H8   ) ( resid  9 and name H5**  ) 4.50 2.7 1.1
assign ( resid  9 and name  H8   ) ( resid 10 and name  H6   ) 5.00 1.5 1.3
assign ( resid 10 and name  H6   ) ( resid 11 and name  H6   ) 4.70 1.6 1.5
assign ( resid 10 and name  H5   ) ( resid 15 and name  H1   ) 4.50 2.7 1.5
assign ( resid 10 and name  H5   ) ( resid 16 and name  H3   ) 6.00 2.7 1.0
assign ( resid 10 and name  H3*  ) ( resid 11 and name  H6   ) 2.80 1.0 1.0
assign ( resid 10 and name  H3*  ) ( resid 10 and name  H5*  ) 3.70 1.9 1.0
assign ( resid 10 and name  H3*  ) ( resid 10 and name H5**  ) 2.90 1.1 1.0
assign ( resid 10 and name  H3*  ) ( resid 11 and name  H5   ) 4.00 2.0 1.0
assign ( resid 11 and name  H6   ) ( resid 12 and name  H6   ) 4.70 1.6 2.3
assign ( resid 11 and name  O2   ) ( resid 14 and name  H1   ) 2.30 0.2 1.0
assign ( resid 11 and name  O2   ) ( resid 14 and name  H22  ) 2.30 0.2 1.0
assign ( resid 12 and name  H1*  ) ( resid 12 and name  H5*  ) 5.00 1.5 0.8
assign ( resid 12 and name  H1*  ) ( resid 12 and name H5**  ) 4.50 2.7 0.8
assign ( resid 12 and name  H3*  ) ( resid 13 and name  H5*  ) 4.80 1.0 0.8
assign ( resid 12 and name  H3*  ) ( resid 13 and name H5**  ) 5.20 1.0 0.8
assign ( resid 13 and name  H5   ) ( resid 12 and name  H6   ) 5.20 3.0 1.2
assign ( resid 13 and name  H5   ) ( resid 11 and name H2**  ) 3.80 2.0 1.0
assign ( resid 13 and name  H5   ) ( resid 11 and name  H1*  ) 5.80 3.0 1.0
assign ( resid 13 and name  H5   ) ( resid 12 and name  H1*  ) 4.80 3.0 1.0
assign ( resid 13 and name  H5   ) ( resid 12 and name H2**  ) 4.50 2.0 1.0
assign ( resid 13 and name  H5   ) ( resid 12 and name  H3*  ) 3.50 1.7 1.0
assign ( resid 13 and name  H1*  ) ( resid 13 and name  H5*  ) 4.60 2.8 0.5
assign ( resid 13 and name  H1*  ) ( resid 13 and name H5**  ) 5.15 2.8 0.5
assign ( resid 13 and name H2**  ) ( resid 13 and name  H5*  ) 4.00 2.0 0.8
assign ( resid 13 and name H2**  ) ( resid 13 and name H5**  ) 4.00 2.0 0.8
assign ( resid 13 and name  H3*  ) ( resid 13 and name  H5*  ) 2.30 0.5 0.8
assign ( resid 13 and name  H3*  ) ( resid 13 and name H5**  ) 2.60 0.8 0.8
assign ( resid 13 and name  H4*  ) ( resid 14 and name  H8   ) 5.00 3.2 1.2
assign ( resid 13 and name  H6   ) ( resid 14 and name  H8   ) 6.50 2.5 1.0
assign ( resid 13 and name  H6   ) ( resid 13 and name H5**  ) 5.50 1.5 1.0
assign ( resid 14 and name  H1   ) ( resid 13 and name  H1*  ) 4.60 2.7 1.0
assign ( resid 14 and name  H1   ) ( resid 14 and name  H5*  ) 6.00 3.7 1.0
assign ( resid 14 and name  H1   ) ( resid 15 and name  H8   ) 4.80 3.2 1.0
assign ( resid 14 and name  H1*  ) ( resid 13 and name  H4*  ) 5.20 2.8 1.0
assign ( resid 14 and name  H1*  ) ( resid 13 and name  H5*  ) 5.20 2.8 1.5
assign ( resid 14 and name  H1*  ) ( resid 13 and name H5**  ) 5.20 2.8 1.0
assign ( resid 14 and name  H1*  ) ( resid 14 and name  H5*  ) 5.00 2.8 0.5
assign ( resid 14 and name  H1*  ) ( resid 14 and name H5**  ) 5.00 2.8 0.5
assign ( resid 14 and name  H8   ) ( resid 13 and name  H5*  ) 5.50 1.5 1.0
assign ( resid 14 and name  H8   ) ( resid 13 and name H5**  ) 5.50 1.5 1.0
assign ( resid 15 and name  H1   ) ( resid 16 and name  H1*  ) 5.00 2.8 1.2
assign ( resid 15 and name  H1   ) ( resid 14 and name  H1*  ) 5.20 3.2 1.5
assign ( resid 16 and name  H3   ) ( resid 17 and name  H2   ) 3.20 1.4 0.8
assign ( resid 16 and name  H3   ) ( resid 16 and name  H1*  ) 4.60 2.7 1.0
assign ( resid 16 and name  H3   ) ( resid 17 and name  H1*  ) 4.60 2.7 1.4
assign ( resid 16 and name  H3   ) ( resid 16 and name H2**  ) 5.50 3.2 0.6
assign ( resid 16 and name  H5   ) ( resid 16 and name  H3   ) 4.50 2.7 0.7
assign ( resid 16 and name H2**  ) ( resid 16 and name  H6   ) 4.50 2.7 0.8
assign ( resid 16 and name H2**  ) ( resid 16 and name  H5   ) 5.20 3.4 0.6
assign ( resid 16 and name  H1*  ) ( resid 17 and name  H4*  ) 5.50 3.7 1.0
assign ( resid 16 and name H2**  ) ( resid 18 and name  H8   ) 5.50 1.5 1.5
assign ( resid 18 and name  H1*  ) ( resid 18 and name  H5*  ) 4.60 2.8 0.5
assign ( resid 18 and name  H1*  ) ( resid 18 and name H5**  ) 5.15 2.8 0.5
assign ( resid 18 and name H2**  ) ( resid 18 and name  H2   ) 5.00 1.0 1.0
assign ( resid 18 and name  H2   ) ( resid 19 and name  H8   ) 5.00 1.0 1.0
assign ( resid 19 and name  H8   ) ( resid 20 and name  H6   ) 4.70 1.6 1.5
assign ( resid 19 and name  H1   ) ( resid 17 and name  H2   ) 4.90 2.9 0.6
assign ( resid 19 and name  H1   ) ( resid 19 and name H2**  ) 5.50 3.2 0.6
assign ( resid 21 and name  H5   ) ( resid 22 and name  H5   ) 4.20 1.1 0.8
assign ( resid 21 and name  H5   ) ( resid 21 and name  H1*  ) 5.30 2.7 0.7
assign ( resid 22 and name  H5   ) ( resid 23 and name  H5   ) 4.10 2.2 0.6
assign ( resid 23 and name  H5   ) ( resid 23 and name H2**  ) 5.00 2.2 0.6
assign ( resid 23 and name  H5   ) ( resid 23 and name  H1*  ) 5.50 3.2 0.8
assign ( resid 23 and name  H5   ) ( resid 23 and name  H3*  ) 4.60 2.2 1.0
assign ( resid 23 and name  H5   ) ( resid 22 and name  H1*  ) 5.30 3.2 0.6
assign ( resid 23 and name  H5   ) ( resid 22 and name H2**  ) 4.00 2.2 1.0
!REMARK Base pair constraints   
assign ( resid  1 and name  N2   ) ( resid 23 and name  O2   ) 3.05 0.3 0.6
assign ( resid  1 and name  N1   ) ( resid 23 and name  N3   ) 2.9  0.3 0.3
assign ( resid  1 and name  O6   ) ( resid 23 and name  N4   ) 2.72 0.5 0.6
assign ( resid  1 and name  H22  ) ( resid 23 and name  O2   ) 2.08 0.3 0.6
assign ( resid  1 and name  H1   ) ( resid 23 and name  N3   ) 1.85 0.3 0.3
assign ( resid  1 and name  O6   ) ( resid 23 and name  H42  ) 1.75 0.3 0.6
!
assign ( resid  2 and name  N2   ) ( resid 22 and name  O2   ) 3.05 0.3 0.6
assign ( resid  2 and name  N1   ) ( resid 22 and name  N3   ) 2.9  0.3 0.3
assign ( resid  2 and name  O6   ) ( resid 22 and name  N4   ) 2.72 0.5 0.6
assign ( resid  2 and name  H22  ) ( resid 22 and name  O2   ) 2.08 0.3 0.6
assign ( resid  2 and name  H1   ) ( resid 22 and name  N3   ) 1.85 0.3 0.3
assign ( resid  2 and name  O6   ) ( resid 22 and name  H42  ) 1.75 0.3 0.6
!
assign ( resid  3 and name  N2   ) ( resid 21 and name  O2   ) 3.05 0.3 0.6
assign ( resid  3 and name  N1   ) ( resid 21 and name  N3   ) 2.9  0.3 0.3
assign ( resid  3 and name  O6   ) ( resid 21 and name  N4   ) 2.72 0.5 0.6
assign ( resid  3 and name  H22  ) ( resid 21 and name  O2   ) 2.08 0.3 0.6
assign ( resid  3 and name  H1   ) ( resid 21 and name  N3   ) 1.85 0.3 0.3
assign ( resid  3 and name  O6   ) ( resid 21 and name  H42  ) 1.75 0.3 0.6
!
!REMARK U598-A640 to test compatability w/rest of structure
assign ( resid  4 and name  C4   ) ( resid 20 and name  N3   ) 5.59 0.3 0.3
assign ( resid  4 and name  N1   ) ( resid 20 and name  N3   ) 2.95 0.3 0.3
assign ( resid  4 and name  N1   ) ( resid 20 and name  C6   ) 5.65 0.3 0.3
assign ( resid  4 and name  N6   ) ( resid 20 and name  O4   ) 2.85 0.3 0.6
assign ( resid  4 and name  N1   ) ( resid 20 and name  H3   ) 1.90 0.3 0.6
assign ( resid  4 and name  H61  ) ( resid 20 and name  O4   ) 1.83 0.3 0.6
!
assign ( resid  7 and name  O2   ) ( resid 19 and name  N2   ) 3.05 0.3 0.6
assign ( resid  7 and name  N3   ) ( resid 19 and name  N1   ) 2.9  0.3 0.3
assign ( resid  7 and name  N4   ) ( resid 19 and name  O6   ) 2.72 0.5 0.6
assign ( resid  7 and name  N3   ) ( resid 19 and name  H1   ) 1.85 0.3 0.3
assign ( resid  7 and name  H42  ) ( resid 19 and name  O6   ) 1.75 0.3 0.6
assign ( resid  7 and name  O2   ) ( resid 19 and name  H22  ) 2.08 0.3 0.6
!
assign ( resid  8 and name  N3   ) ( resid 18 and name  C4   ) 5.59 0.3 0.3
assign ( resid  8 and name  N3   ) ( resid 18 and name  N1   ) 2.95 0.3 0.3
assign ( resid  8 and name  C6   ) ( resid 18 and name  N1   ) 5.65 0.3 0.3
assign ( resid  8 and name  O4   ) ( resid 18 and name  N6   ) 2.85 0.3 0.6
assign ( resid  8 and name  H3   ) ( resid 18 and name  N1   ) 1.90 0.3 0.6
assign ( resid  8 and name  O4   ) ( resid 18 and name  H61  ) 1.83 0.3 0.6
!
assign ( resid  9 and name  N1   ) ( resid 16 and name  O2   ) 2.80 0.3 0.3
assign ( resid  9 and name  N1   ) ( resid 16 and name  C5   ) 5.60 0.3 0.3
assign ( resid  9 and name  O6   ) ( resid 16 and name  N3   ) 2.80 0.3 0.6
assign ( resid  9 and name  H1   ) ( resid 16 and name  O2   ) 1.80 0.3 0.3
assign ( resid  9 and name  O6   ) ( resid 16 and name  H3   ) 1.80 0.3 0.6
!
assign ( resid 10 and name  O2   ) ( resid 15 and name  H22  ) 2.08 0.3 0.6
assign ( resid 10 and name  N3   ) ( resid 15 and name  H1   ) 1.85 0.3 0.6
assign ( resid 10 and name  H42  ) ( resid 15 and name  O6   ) 1.80 0.3 0.3
assign ( resid 10 and name  O2   ) ( resid 15 and name  N2   ) 3.05 0.3 0.6
assign ( resid 10 and name  N3   ) ( resid 15 and name  N1   ) 2.9  0.3 0.3
assign ( resid 10 and name  N4   ) ( resid 15 and name  O6   ) 2.72 0.5 0.6
!
!REMARK A595-(A596-U644)
!
assign ( resid 17 and name  N3   ) ( resid 18 and name  N6   ) 3.30 1.5 0.5
assign ( resid 17 and name  C6   ) ( resid 18 and name  N6   ) 5.30 0.7 0.7
assign ( resid 17 and name  N3   ) ( resid 18 and name  H62  ) 2.50 0.7 0.5
assign ( resid  8 and name  H3   ) ( resid 18 and name  H2   ) 2.50 0.7 0.3
!
! Torsion angle constraints about delta and nu 0 
! to apply c3 prime endo sugar pucker 
!
assign (segid HPGA and resid 1  and name C2*) 
       (segid HPGA and resid 1  and name C1*) 
       (segid HPGA and resid 1  and name O4*) 
       (segid HPGA and resid 1  and name C4*)  30.0  3.4  1.0 2 
assign (segid HPGA and resid 1  and name O4*) 
       (segid HPGA and resid 1  and name C4*) 
       (segid HPGA and resid 1  and name C3*) 
       (segid HPGA and resid 1  and name C2*)  30.0  324 3.0 2 
!
assign (segid HPGA and resid 2  and name C2*) 
       (segid HPGA and resid 2  and name C1*) 
       (segid HPGA and resid 2  and name O4*) 
       (segid HPGA and resid 2  and name C4*)  30.0  3.4  1.0 2 
assign (segid HPGA and resid 2  and name O4*) 
       (segid HPGA and resid 2  and name C4*) 
       (segid HPGA and resid 2  and name C3*) 
       (segid HPGA and resid 2  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 3  and name C2*) 
       (segid HPGA and resid 3  and name C1*) 
       (segid HPGA and resid 3  and name O4*) 
       (segid HPGA and resid 3  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 3  and name O4*) 
       (segid HPGA and resid 3  and name C4*) 
       (segid HPGA and resid 3  and name C3*) 
       (segid HPGA and resid 3  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 4  and name C2*) 
       (segid HPGA and resid 4  and name C1*) 
       (segid HPGA and resid 4  and name O4*) 
       (segid HPGA and resid 4  and name C4*)  30.0  3.4  1.0 2 
assign (segid HPGA and resid 4  and name O4*) 
       (segid HPGA and resid 4  and name C4*) 
       (segid HPGA and resid 4  and name C3*) 
       (segid HPGA and resid 4  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 5  and name C2*) 
       (segid HPGA and resid 5  and name C1*) 
       (segid HPGA and resid 5  and name O4*) 
       (segid HPGA and resid 5  and name C4*)  30.0  356  2.5 2 
assign (segid HPGA and resid 5  and name O4*) 
       (segid HPGA and resid 5  and name C4*) 
       (segid HPGA and resid 5  and name C3*) 
       (segid HPGA and resid 5  and name C2*)  30.0  33 1.0 2 
!
assign (segid HPGA and resid 6  and name C2*) 
       (segid HPGA and resid 6  and name C1*) 
       (segid HPGA and resid 6  and name O4*) 
       (segid HPGA and resid 6  and name C4*)  30.0  3.4  1.0 2 
assign (segid HPGA and resid 6  and name O4*) 
       (segid HPGA and resid 6  and name C4*) 
       (segid HPGA and resid 6  and name C3*) 
       (segid HPGA and resid 6  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 7  and name C2*) 
       (segid HPGA and resid 7  and name C1*) 
       (segid HPGA and resid 7  and name O4*) 
       (segid HPGA and resid 7  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 7  and name O4*) 
       (segid HPGA and resid 7  and name C4*) 
       (segid HPGA and resid 7  and name C3*) 
       (segid HPGA and resid 7  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 8  and name C2*)
       (segid HPGA and resid 8  and name C1*)
       (segid HPGA and resid 8  and name O4*)
       (segid HPGA and resid 8  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 8  and name O4*)
       (segid HPGA and resid 8  and name C4*)
       (segid HPGA and resid 8  and name C3*)
       (segid HPGA and resid 8  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 9  and name C2*) 
       (segid HPGA and resid 9  and name C1*) 
       (segid HPGA and resid 9  and name O4*) 
       (segid HPGA and resid 9  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 9  and name O4*) 
       (segid HPGA and resid 9  and name C4*) 
       (segid HPGA and resid 9  and name C3*) 
       (segid HPGA and resid 9  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 10  and name C2*) 
       (segid HPGA and resid 10  and name C1*) 
       (segid HPGA and resid 10  and name O4*) 
       (segid HPGA and resid 10  and name C4*)  30.0  3.4  1.0 2 
assign (segid HPGA and resid 10  and name O4*) 
       (segid HPGA and resid 10  and name C4*) 
       (segid HPGA and resid 10  and name C3*) 
       (segid HPGA and resid 10  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 11  and name C2*) 
       (segid HPGA and resid 11  and name C1*) 
       (segid HPGA and resid 11  and name O4*) 
       (segid HPGA and resid 11  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 11  and name O4*) 
       (segid HPGA and resid 11  and name C4*) 
       (segid HPGA and resid 11  and name C3*) 
       (segid HPGA and resid 11  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 12  and name C2*)
       (segid HPGA and resid 12  and name C1*)
       (segid HPGA and resid 12  and name O4*)
       (segid HPGA and resid 12  and name C4*)  30.0  356  2.5 2
assign (segid HPGA and resid 12  and name O4*)
       (segid HPGA and resid 12  and name C4*)
       (segid HPGA and resid 12  and name C3*)
       (segid HPGA and resid 12  and name C2*)  30.0  33 1.0 2
!
assign (segid HPGA and resid 13  and name C2*) 
       (segid HPGA and resid 13  and name C1*) 
       (segid HPGA and resid 13  and name O4*) 
       (segid HPGA and resid 13  and name C4*)  30.0  356  2.5 2
assign (segid HPGA and resid 13  and name O4*) 
       (segid HPGA and resid 13  and name C4*) 
       (segid HPGA and resid 13  and name C3*) 
       (segid HPGA and resid 13  and name C2*)  30.0  33 1.0 2
!
assign (segid HPGA and resid 14  and name C2*) 
       (segid HPGA and resid 14  and name C1*) 
       (segid HPGA and resid 14  and name O4*) 
       (segid HPGA and resid 14  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 14  and name O4*) 
       (segid HPGA and resid 14  and name C4*) 
       (segid HPGA and resid 14  and name C3*) 
       (segid HPGA and resid 14  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 15  and name C2*) 
       (segid HPGA and resid 15  and name C1*) 
       (segid HPGA and resid 15  and name O4*) 
       (segid HPGA and resid 15  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 15  and name O4*) 
       (segid HPGA and resid 15  and name C4*) 
       (segid HPGA and resid 15  and name C3*) 
       (segid HPGA and resid 15  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 16  and name C2*) 
       (segid HPGA and resid 16  and name C1*) 
       (segid HPGA and resid 16  and name O4*) 
       (segid HPGA and resid 16  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 16  and name O4*) 
       (segid HPGA and resid 16  and name C4*) 
       (segid HPGA and resid 16  and name C3*) 
       (segid HPGA and resid 16  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 17  and name C2*) 
       (segid HPGA and resid 17  and name C1*) 
       (segid HPGA and resid 17  and name O4*) 
       (segid HPGA and resid 17  and name C4*)  30.0  356  2.5 2
assign (segid HPGA and resid 17  and name O4*) 
       (segid HPGA and resid 17  and name C4*) 
       (segid HPGA and resid 17  and name C3*) 
       (segid HPGA and resid 17  and name C2*)  30.0  33 1.0 2
!
assign (segid HPGA and resid 18  and name C2*) 
       (segid HPGA and resid 18  and name C1*) 
       (segid HPGA and resid 18  and name O4*) 
       (segid HPGA and resid 18  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 18  and name O4*) 
       (segid HPGA and resid 18  and name C4*) 
       (segid HPGA and resid 18  and name C3*) 
       (segid HPGA and resid 18  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 19  and name C2*) 
       (segid HPGA and resid 19  and name C1*) 
       (segid HPGA and resid 19  and name O4*) 
       (segid HPGA and resid 19  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 19  and name O4*) 
       (segid HPGA and resid 19  and name C4*) 
       (segid HPGA and resid 19  and name C3*) 
       (segid HPGA and resid 19  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 20  and name C2*)
       (segid HPGA and resid 20  and name C1*)
       (segid HPGA and resid 20  and name O4*)
       (segid HPGA and resid 20  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 20  and name O4*)
       (segid HPGA and resid 20  and name C4*)
       (segid HPGA and resid 20  and name C3*)
       (segid HPGA and resid 20  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 21  and name C2*) 
       (segid HPGA and resid 21  and name C1*) 
       (segid HPGA and resid 21  and name O4*) 
       (segid HPGA and resid 21  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 21  and name O4*) 
       (segid HPGA and resid 21  and name C4*) 
       (segid HPGA and resid 21  and name C3*) 
       (segid HPGA and resid 21  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 22  and name C2*) 
       (segid HPGA and resid 22  and name C1*) 
       (segid HPGA and resid 22  and name O4*) 
       (segid HPGA and resid 22  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 22  and name O4*) 
       (segid HPGA and resid 22  and name C4*) 
       (segid HPGA and resid 22  and name C3*) 
       (segid HPGA and resid 22  and name C2*)  30.0  324 2.5 2
!
assign (segid HPGA and resid 23  and name C2*) 
       (segid HPGA and resid 23  and name C1*) 
       (segid HPGA and resid 23  and name O4*) 
       (segid HPGA and resid 23  and name C4*)  30.0  3.4  1.0 2
assign (segid HPGA and resid 23  and name O4*) 
       (segid HPGA and resid 23  and name C4*) 
       (segid HPGA and resid 23  and name C3*) 
       (segid HPGA and resid 23  and name C2*)  30.0  324 2.5 2
! 
! Torsion angle constraints about Beta
! 
assign (segid HPGA and resid  2  and name P  ) 
       (segid HPGA and resid  2  and name O5*) 
       (segid HPGA and resid  2  and name C5*) 
       (segid HPGA and resid  2  and name C4*)  30.0  181.0 30.0 2 
!  
assign (segid HPGA and resid  3  and name P  ) 
       (segid HPGA and resid  3  and name O5*) 
       (segid HPGA and resid  3  and name C5*) 
       (segid HPGA and resid  3  and name C4*)  30.0  180.0 30.0 2 
!  
assign (segid HPGA and resid  4  and name P  ) 
       (segid HPGA and resid  4  and name O5*) 
       (segid HPGA and resid  4  and name C5*) 
       (segid HPGA and resid  4  and name C4*)  30.0  180.0 30.0 2 
! 
assign (segid HPGA and resid  7  and name P  )
       (segid HPGA and resid  7  and name O5*)
       (segid HPGA and resid  7  and name C5*)
       (segid HPGA and resid  7  and name C4*)  30.0  180.0 30.0 2
! 
assign (segid HPGA and resid  8  and name P  )
       (segid HPGA and resid  8  and name O5*)
       (segid HPGA and resid  8  and name C5*)
       (segid HPGA and resid  8  and name C4*)  30.0  180.0 30.0 2
! 
assign (segid HPGA and resid  9  and name P  )
       (segid HPGA and resid  9  and name O5*)
       (segid HPGA and resid  9  and name C5*)
       (segid HPGA and resid  9  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 10  and name P  )
       (segid HPGA and resid 10  and name O5*)
       (segid HPGA and resid 10  and name C5*)
       (segid HPGA and resid 10  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 11  and name P  )
       (segid HPGA and resid 11  and name O5*)
       (segid HPGA and resid 11  and name C5*)
       (segid HPGA and resid 11  and name C4*)  30.0  180.0 60.0 2
!
assign (segid HPGA and resid 12  and name P  )
       (segid HPGA and resid 12  and name O5*)
       (segid HPGA and resid 12  and name C5*)
       (segid HPGA and resid 12  and name C4*)  30.0  -140.0 60.0 2
!
assign (segid HPGA and resid 13  and name P  )
       (segid HPGA and resid 13  and name O5*)
       (segid HPGA and resid 13  and name C5*)
       (segid HPGA and resid 13  and name C4*)  30.0  -150.0 60.0 2
!
assign (segid HPGA and resid 14  and name P  )
       (segid HPGA and resid 14  and name O5*)
       (segid HPGA and resid 14  and name C5*)
       (segid HPGA and resid 14  and name C4*)  30.0  130.0 60.0 2
!
assign (segid HPGA and resid 15  and name P  )
       (segid HPGA and resid 15  and name O5*)
       (segid HPGA and resid 15  and name C5*)
       (segid HPGA and resid 15  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 16  and name P  )
       (segid HPGA and resid 16  and name O5*)
       (segid HPGA and resid 16  and name C5*)
       (segid HPGA and resid 16  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 18  and name P  )
       (segid HPGA and resid 18  and name O5*)
       (segid HPGA and resid 18  and name C5*)
       (segid HPGA and resid 18  and name C4*)  30.0  145.0 60.0 2
!
assign (segid HPGA and resid 19  and name P  )
       (segid HPGA and resid 19  and name O5*)
       (segid HPGA and resid 19  and name C5*)
       (segid HPGA and resid 19  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 20  and name P  )
       (segid HPGA and resid 20  and name O5*)
       (segid HPGA and resid 20  and name C5*)
       (segid HPGA and resid 20  and name C4*)  30.0 180.0 30.0 2
!
assign (segid HPGA and resid 21  and name P  )
       (segid HPGA and resid 21  and name O5*)
       (segid HPGA and resid 21  and name C5*)
       (segid HPGA and resid 21  and name C4*)  30.0  180.0 30.0 2
!
assign (segid HPGA and resid 22  and name P  )
       (segid HPGA and resid 22  and name O5*)
       (segid HPGA and resid 22  and name C5*)
       (segid HPGA and resid 22  and name C4*)  30.0  180.0 30.0 2
! 
assign (segid HPGA and resid 23  and name P  )
       (segid HPGA and resid 23  and name O5*)
       (segid HPGA and resid 23  and name C5*)
       (segid HPGA and resid 23  and name C4*)  30.0  180.0 30.0 2
!  
! Epsilon Torsion angle constraints 
! 
assign (segid HPGA and resid  1  and name C4*) 
       (segid HPGA and resid  1  and name C3*) 
       (segid HPGA and resid  1  and name O3*) 
       (segid HPGA and resid  2  and name P  )  30.0  -148.0 40.0 2 
! 
assign (segid HPGA and resid  2  and name C4*) 
       (segid HPGA and resid  2  and name C3*) 
       (segid HPGA and resid  2  and name O3*) 
       (segid HPGA and resid  3  and name P  )  30.0  -148.0 40.0 2 
! 
assign (segid HPGA and resid  3  and name C4*) 
       (segid HPGA and resid  3  and name C3*) 
       (segid HPGA and resid  3  and name O3*) 
       (segid HPGA and resid  4  and name P  )  30.0  -148.0 40.0 2 
!
assign (segid HPGA and resid  7  and name C4*)
       (segid HPGA and resid  7  and name C3*)
       (segid HPGA and resid  7  and name O3*)
       (segid HPGA and resid  8  and name P  )  30.0  -148.0 40.0 2
!
assign (segid HPGA and resid  8  and name C4*)
       (segid HPGA and resid  8  and name C3*)
       (segid HPGA and resid  8  and name O3*)
       (segid HPGA and resid  9  and name P  )  30.0  -148.0 40.0 2
!
assign (segid HPGA and resid  9  and name C4*)
       (segid HPGA and resid  9  and name C3*)
       (segid HPGA and resid  9  and name O3*)
       (segid HPGA and resid 10  and name P  )  30.0  -148.0 40.0 2
!
assign (segid HPGA and resid 10  and name C4*)
       (segid HPGA and resid 10  and name C3*)
       (segid HPGA and resid 10  and name O3*)
       (segid HPGA and resid 11  and name P  )  30.0  -140.0 60.0 2
!
assign (segid HPGA and resid 11  and name C4*)
       (segid HPGA and resid 11  and name C3*)
       (segid HPGA and resid 11  and name O3*)
       (segid HPGA and resid 12  and name P  )  30.0  -140.0 60.0 2
!
assign (segid HPGA and resid 12  and name C4*)
       (segid HPGA and resid 12  and name C3*)
       (segid HPGA and resid 12  and name O3*)
       (segid HPGA and resid 13  and name P  )  30.0  -170.0 60.0 2
!
assign (segid HPGA and resid 13  and name C4*)
       (segid HPGA and resid 13  and name C3*)
       (segid HPGA and resid 13  and name O3*)
       (segid HPGA and resid 14  and name P  )  30.0  -140.0 60.0 2
!
assign (segid HPGA and resid 14  and name C4*) 
       (segid HPGA and resid 14  and name C3*)
       (segid HPGA and resid 14  and name O3*)
       (segid HPGA and resid 15  and name P  )  30.0  -148.0 40.0 2
!
assign (segid HPGA and resid 15  and name C4*)
       (segid HPGA and resid 15  and name C3*)
       (segid HPGA and resid 15  and name O3*)
       (segid HPGA and resid 16  and name P  )  30.0  -148.0 40.0 2
!
assign (segid HPGA and resid 17  and name C4*)
       (segid HPGA and resid 17  and name C3*)
       (segid HPGA and resid 17  and name O3*)
       (segid HPGA and resid 18  and name P  )  30.0  -136.0 40.0 2
!
assign (segid HPGA and resid 19  and name C4*)
       (segid HPGA and resid 19  and name C3*)
       (segid HPGA and resid 19  and name O3*)
       (segid HPGA and resid 20  and name P  )  30.0  -148.0 40.0 2
! 
assign (segid HPGA and resid 20  and name C4*) 
       (segid HPGA and resid 20  and name C3*) 
       (segid HPGA and resid 20  and name O3*) 
       (segid HPGA and resid 21  and name P  )  30.0  -148.0 40.0 2 
! 
assign (segid HPGA and resid 21  and name C4*) 
       (segid HPGA and resid 21  and name C3*) 
       (segid HPGA and resid 21  and name O3*) 
       (segid HPGA and resid 22  and name P  )  30.0  -148.0 40.0 2 
! 
assign (segid HPGA and resid 22  and name C4*) 
       (segid HPGA and resid 22  and name C3*) 
       (segid HPGA and resid 22  and name O3*) 
       (segid HPGA and resid 23  and name P  )  30.0  -148.0 40.0 2
!
! Ki, NOT an experimental measurement.
! Restricted based on x-peak intentsities
!
assign (segid HPGA and resid  1  and name O4*)
       (segid HPGA and resid  1  and name C1*)
       (segid HPGA and resid  1  and name N9 )
       (segid HPGA and resid  1  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  2  and name O4*)
       (segid HPGA and resid  2  and name C1*)
       (segid HPGA and resid  2  and name N9 )
       (segid HPGA and resid  2  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  3  and name O4*)
       (segid HPGA and resid  3  and name C1*)
       (segid HPGA and resid  3  and name N9 )
       (segid HPGA and resid  3  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  4  and name O4*)
       (segid HPGA and resid  4  and name C1*)
       (segid HPGA and resid  4  and name N9 )
       (segid HPGA and resid  4  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  5  and name O4*)
       (segid HPGA and resid  5  and name C1*)
       (segid HPGA and resid  5  and name N1 )
       (segid HPGA and resid  5  and name C2 )  30.0  -128.0 65.0 2
!
assign (segid HPGA and resid  6  and name O4*)
       (segid HPGA and resid  6  and name C1*)
       (segid HPGA and resid  6  and name N9 )
       (segid HPGA and resid  6  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  7  and name O4*)
       (segid HPGA and resid  7  and name C1*)
       (segid HPGA and resid  7  and name N1 )
       (segid HPGA and resid  7  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  8  and name O4*)
       (segid HPGA and resid  8  and name C1*)
       (segid HPGA and resid  8  and name N1 )
       (segid HPGA and resid  8  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid  9  and name O4*)
       (segid HPGA and resid  9  and name C1*)
       (segid HPGA and resid  9  and name N9 )
       (segid HPGA and resid  9  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 10  and name O4*)
       (segid HPGA and resid 10  and name C1*)
       (segid HPGA and resid 10  and name N1 )
       (segid HPGA and resid 10  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 11  and name O4*)
       (segid HPGA and resid 11  and name C1*)
       (segid HPGA and resid 11  and name N1 )
       (segid HPGA and resid 11  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 12  and name O4*)
       (segid HPGA and resid 12  and name C1*)
       (segid HPGA and resid 12  and name N1 )
       (segid HPGA and resid 12  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 13  and name O4*)
       (segid HPGA and resid 13  and name C1*)
       (segid HPGA and resid 13  and name N1 )
       (segid HPGA and resid 13  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 14  and name O4*)
       (segid HPGA and resid 14  and name C1*)
       (segid HPGA and resid 14  and name N9 )
       (segid HPGA and resid 14  and name C4 )  30.0  75.0 25.0 2
!
assign (segid HPGA and resid 15  and name O4*)
       (segid HPGA and resid 15  and name C1*)
       (segid HPGA and resid 15  and name N9 )
       (segid HPGA and resid 15  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 16  and name O4*)
       (segid HPGA and resid 16  and name C1*)
       (segid HPGA and resid 16  and name N1 )
       (segid HPGA and resid 16  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 17  and name O4*)
       (segid HPGA and resid 17  and name C1*)
       (segid HPGA and resid 17  and name N9 )
       (segid HPGA and resid 17  and name C4 )  30.0  -128.0 60.0 2
!
assign (segid HPGA and resid 18  and name O4*)
       (segid HPGA and resid 18  and name C1*)
       (segid HPGA and resid 18  and name N9 )
       (segid HPGA and resid 18  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 19  and name O4*)
       (segid HPGA and resid 19  and name C1*)
       (segid HPGA and resid 19  and name N9 )
       (segid HPGA and resid 19  and name C4 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 20  and name O4*)
       (segid HPGA and resid 20  and name C1*)
       (segid HPGA and resid 20  and name N1 )
       (segid HPGA and resid 20  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 21  and name O4*)
       (segid HPGA and resid 21  and name C1*)
       (segid HPGA and resid 21  and name N1 )
       (segid HPGA and resid 21  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 22  and name O4*)
       (segid HPGA and resid 22  and name C1*)
       (segid HPGA and resid 22  and name N1 )
       (segid HPGA and resid 22  and name C2 )  30.0  -158.0 45.0 2
!
assign (segid HPGA and resid 23  and name O4*)
       (segid HPGA and resid 23  and name C1*)
       (segid HPGA and resid 23  and name N1 )
       (segid HPGA and resid 23  and name C2 )  30.0  -158.0 45.0 2
!
! Alfa, based on 31P chemical shifts
!
assign (segid HPGA and resid  1  and name O3*)
       (segid HPGA and resid  2  and name P  )
       (segid HPGA and resid  2  and name O5*)
       (segid HPGA and resid  2  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid  2  and name O3*)
       (segid HPGA and resid  3  and name P  )
       (segid HPGA and resid  3  and name O5*)
       (segid HPGA and resid  3  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid  3  and name O3*)
       (segid HPGA and resid  4  and name P  )
       (segid HPGA and resid  4  and name O5*)
       (segid HPGA and resid  4  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid  7  and name O3*)
       (segid HPGA and resid  8  and name P  )
       (segid HPGA and resid  8  and name O5*)
       (segid HPGA and resid  8  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid  8  and name O3*)
       (segid HPGA and resid  9  and name P  )
       (segid HPGA and resid  9  and name O5*)
       (segid HPGA and resid  9  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid  9  and name O3*)
       (segid HPGA and resid 10  and name P  )
       (segid HPGA and resid 10  and name O5*)
       (segid HPGA and resid 10  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 10  and name O3*)
       (segid HPGA and resid 11  and name P  )
       (segid HPGA and resid 11  and name O5*)
       (segid HPGA and resid 11  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 12  and name O3*)
       (segid HPGA and resid 13  and name P  )
       (segid HPGA and resid 13  and name O5*)
       (segid HPGA and resid 13  and name C5*)  30.0  -40.0 60.0 2
!
assign (segid HPGA and resid 13  and name O3*)
       (segid HPGA and resid 14  and name P  )
       (segid HPGA and resid 14  and name O5*)
       (segid HPGA and resid 14  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 15  and name O3*)
       (segid HPGA and resid 16  and name P  )
       (segid HPGA and resid 16  and name O5*)
       (segid HPGA and resid 16  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 16  and name O3*)
       (segid HPGA and resid 17  and name P  )
       (segid HPGA and resid 17  and name O5*)
       (segid HPGA and resid 17  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 18  and name O3*)
       (segid HPGA and resid 19  and name P  )
       (segid HPGA and resid 19  and name O5*)
       (segid HPGA and resid 19  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 19  and name O3*)
       (segid HPGA and resid 20  and name P  )
       (segid HPGA and resid 20  and name O5*)
       (segid HPGA and resid 20  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 20  and name O3*)
       (segid HPGA and resid 21  and name P  )
       (segid HPGA and resid 21  and name O5*)
       (segid HPGA and resid 21  and name C5*)  30.0  -50.0 60.0 2
!
assign (segid HPGA and resid 21  and name O3*)
       (segid HPGA and resid 22  and name P  )
       (segid HPGA and resid 22  and name O5*)
       (segid HPGA and resid 22  and name C5*)  30.0  -50.0 60.0 2
!
! zeta, based on 31P chemical shifts
!
assign (segid HPGA and resid  1  and name C3*)
       (segid HPGA and resid  1  and name O3*)
       (segid HPGA and resid  2  and name P  )
       (segid HPGA and resid  2  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid  2  and name C3*)
       (segid HPGA and resid  2  and name O3*)
       (segid HPGA and resid  3  and name P  )
       (segid HPGA and resid  3  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid  3  and name C3*)
       (segid HPGA and resid  3  and name O3*)
       (segid HPGA and resid  4  and name P  )
       (segid HPGA and resid  4  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid  7  and name C3*)
       (segid HPGA and resid  7  and name O3*)
       (segid HPGA and resid  8  and name P  )
       (segid HPGA and resid  8  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid  8  and name C3*)
       (segid HPGA and resid  8  and name O3*)
       (segid HPGA and resid  9  and name P  )
       (segid HPGA and resid  9  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid  9  and name C3*)
       (segid HPGA and resid  9  and name O3*)
       (segid HPGA and resid 10  and name P  )
       (segid HPGA and resid 10  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 10  and name C3*)
       (segid HPGA and resid 10  and name O3*)
       (segid HPGA and resid 11  and name P  )
       (segid HPGA and resid 11  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 11  and name C3*)
       (segid HPGA and resid 11  and name O3*)
       (segid HPGA and resid 12  and name P  )
       (segid HPGA and resid 12  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 12  and name C3*)
       (segid HPGA and resid 12  and name O3*)
       (segid HPGA and resid 13  and name P  )
       (segid HPGA and resid 13  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 13  and name C3*)
       (segid HPGA and resid 13  and name O3*)
       (segid HPGA and resid 14  and name P  )
       (segid HPGA and resid 14  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 15  and name C3*)
       (segid HPGA and resid 15  and name O3*)
       (segid HPGA and resid 16  and name P  )
       (segid HPGA and resid 16  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 16  and name C3*)
       (segid HPGA and resid 16  and name O3*)
       (segid HPGA and resid 17  and name P  )
       (segid HPGA and resid 17  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 18  and name C3*)
       (segid HPGA and resid 18  and name O3*)
       (segid HPGA and resid 19  and name P  )
       (segid HPGA and resid 19  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 19  and name C3*)
       (segid HPGA and resid 19  and name O3*)
       (segid HPGA and resid 20  and name P  )
       (segid HPGA and resid 20  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 20  and name C3*)
       (segid HPGA and resid 20  and name O3*)
       (segid HPGA and resid 21  and name P  )
       (segid HPGA and resid 21  and name O5*)  30.0  -78.0 40.0 2
!
assign (segid HPGA and resid 21  and name C3*)
       (segid HPGA and resid 21  and name O3*)
       (segid HPGA and resid 22  and name P  )
       (segid HPGA and resid 22  and name O5*)  30.0  -78.0 40.0 2
!
! Gamma
!
assign (segid HPGA and resid  1  and name O5*)
       (segid HPGA and resid  1  and name C5*)
       (segid HPGA and resid  1  and name C4*)
       (segid HPGA and resid  1  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  2  and name O5*)
       (segid HPGA and resid  2  and name C5*)
       (segid HPGA and resid  2  and name C4*)
       (segid HPGA and resid  2  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  3  and name O5*)
       (segid HPGA and resid  3  and name C5*)
       (segid HPGA and resid  3  and name C4*)
       (segid HPGA and resid  3  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  4  and name O5*)
       (segid HPGA and resid  4  and name C5*)
       (segid HPGA and resid  4  and name C4*)
       (segid HPGA and resid  4  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  6  and name O5*)
       (segid HPGA and resid  6  and name C5*)
       (segid HPGA and resid  6  and name C4*)
       (segid HPGA and resid  6  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  7  and name O5*)
       (segid HPGA and resid  7  and name C5*)
       (segid HPGA and resid  7  and name C4*)
       (segid HPGA and resid  7  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  8  and name O5*)
       (segid HPGA and resid  8  and name C5*)
       (segid HPGA and resid  8  and name C4*)
       (segid HPGA and resid  8  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid  9  and name O5*)
       (segid HPGA and resid  9  and name C5*)
       (segid HPGA and resid  9  and name C4*)
       (segid HPGA and resid  9  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 10  and name O5*)
       (segid HPGA and resid 10  and name C5*)
       (segid HPGA and resid 10  and name C4*)
       (segid HPGA and resid 10  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 11  and name O5*)
       (segid HPGA and resid 11  and name C5*)
       (segid HPGA and resid 11  and name C4*)
       (segid HPGA and resid 11  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 12  and name O5*)
       (segid HPGA and resid 12  and name C5*)
       (segid HPGA and resid 12  and name C4*)
       (segid HPGA and resid 12  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 13  and name O5*)
       (segid HPGA and resid 13  and name C5*)
       (segid HPGA and resid 13  and name C4*)
       (segid HPGA and resid 13  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 14  and name O5*)
       (segid HPGA and resid 14  and name C5*)
       (segid HPGA and resid 14  and name C4*)
       (segid HPGA and resid 14  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 15  and name O5*)
       (segid HPGA and resid 15  and name C5*)
       (segid HPGA and resid 15  and name C4*)
       (segid HPGA and resid 15  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 16  and name O5*)
       (segid HPGA and resid 16  and name C5*)
       (segid HPGA and resid 16  and name C4*)
       (segid HPGA and resid 16  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 17  and name O5*)
       (segid HPGA and resid 17  and name C5*)
       (segid HPGA and resid 17  and name C4*)
       (segid HPGA and resid 17  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 18  and name O5*)
       (segid HPGA and resid 18  and name C5*)
       (segid HPGA and resid 18  and name C4*)
       (segid HPGA and resid 18  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 19  and name O5*)
       (segid HPGA and resid 19  and name C5*)
       (segid HPGA and resid 19  and name C4*)
       (segid HPGA and resid 19  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 20  and name O5*)
       (segid HPGA and resid 20  and name C5*)
       (segid HPGA and resid 20  and name C4*)
       (segid HPGA and resid 20  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 21  and name O5*)
       (segid HPGA and resid 21  and name C5*)
       (segid HPGA and resid 21  and name C4*)
       (segid HPGA and resid 21  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 22  and name O5*)
       (segid HPGA and resid 22  and name C5*)
       (segid HPGA and resid 22  and name C4*)
       (segid HPGA and resid 22  and name C3*)  30.0  60.0 35.0 2
!
assign (segid HPGA and resid 23  and name O5*)
       (segid HPGA and resid 23  and name C5*)
       (segid HPGA and resid 23  and name C4*)
       (segid HPGA and resid 23  and name C3*)  30.0  60.0 35.0 2
!
! The next two constraints are
! Impropers to TEST accommodation of planar A595-(A596-U644)
! 3-base interaction. Not to be included in "real" calculation
!
!assign (segid HPGA and resid 17  and name N9 )
!       (segid HPGA and resid 17  and name C4 )
!       (segid HPGA and resid 17  and name N3 )
!       (segid HPGA and resid 18  and name N6 )  10.0  0.0 15.0 2
!
!assign (segid HPGA and resid 17  and name C2 )
!       (segid HPGA and resid 17  and name N3 )
!       (segid HPGA and resid 18  and name N6 )
!       (segid HPGA and resid 18  and name C6 )  10.0  180.0 15.0 2
!
! C2'-C3'-O3'-P from 31P dec {1H-13C}-ctHSQC
!
assign (segid HPGA and resid  1 and name C2*)
       (segid HPGA and resid  1 and name C3*)
       (segid HPGA and resid  1 and name O3*)
       (segid HPGA and resid  2 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  2 and name C2*)
       (segid HPGA and resid  2 and name C3*)
       (segid HPGA and resid  2 and name O3*)
       (segid HPGA and resid  3 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  3 and name C2*)
       (segid HPGA and resid  3 and name C3*)
       (segid HPGA and resid  3 and name O3*)
       (segid HPGA and resid  4 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  4 and name C2*)
       (segid HPGA and resid  4 and name C3*)
       (segid HPGA and resid  4 and name O3*)
       (segid HPGA and resid  5 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  5 and name C2*)
       (segid HPGA and resid  5 and name C3*)
       (segid HPGA and resid  5 and name O3*)
       (segid HPGA and resid  6 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  6 and name C2*)
       (segid HPGA and resid  6 and name C3*)
       (segid HPGA and resid  6 and name O3*)
       (segid HPGA and resid  7 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  7 and name C2*)
       (segid HPGA and resid  7 and name C3*)
       (segid HPGA and resid  7 and name O3*)
       (segid HPGA and resid  8 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  8 and name C2*)
       (segid HPGA and resid  8 and name C3*)
       (segid HPGA and resid  8 and name O3*)
       (segid HPGA and resid  9 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid  9 and name C2*)
       (segid HPGA and resid  9 and name C3*)
       (segid HPGA and resid  9 and name O3*)
       (segid HPGA and resid 10 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 10 and name C2*)
       (segid HPGA and resid 10 and name C3*)
       (segid HPGA and resid 10 and name O3*)
       (segid HPGA and resid 11 and name P  )  50.0  100. 25.0 2
!
assign (segid HPGA and resid 11 and name C2*)
       (segid HPGA and resid 11 and name C3*)
       (segid HPGA and resid 11 and name O3*)
       (segid HPGA and resid 12 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 12 and name C2*)
       (segid HPGA and resid 12 and name C3*)
       (segid HPGA and resid 12 and name O3*)
       (segid HPGA and resid 13 and name P  )  50.0  95. 25.0 2
!
assign (segid HPGA and resid 13 and name C2*)
       (segid HPGA and resid 13 and name C3*)
       (segid HPGA and resid 13 and name O3*)
       (segid HPGA and resid 14 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 14 and name C2*)
       (segid HPGA and resid 14 and name C3*)
       (segid HPGA and resid 14 and name O3*)
       (segid HPGA and resid 15 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 15 and name C2*)
       (segid HPGA and resid 15 and name C3*)
       (segid HPGA and resid 15 and name O3*)
       (segid HPGA and resid 16 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 16 and name C2*)
       (segid HPGA and resid 16 and name C3*)
       (segid HPGA and resid 16 and name O3*)
       (segid HPGA and resid 17 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 17 and name C2*)
       (segid HPGA and resid 17 and name C3*)
       (segid HPGA and resid 17 and name O3*)
       (segid HPGA and resid 18 and name P  )  50.0  112. 25.0 2
!
assign (segid HPGA and resid 18 and name C2*)
       (segid HPGA and resid 18 and name C3*)
       (segid HPGA and resid 18 and name O3*)
       (segid HPGA and resid 19 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 19 and name C2*)
       (segid HPGA and resid 19 and name C3*)
       (segid HPGA and resid 19 and name O3*)
       (segid HPGA and resid 20 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 20 and name C2*)
       (segid HPGA and resid 20 and name C3*)
       (segid HPGA and resid 20 and name O3*)
       (segid HPGA and resid 21 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 21 and name C2*)
       (segid HPGA and resid 21 and name C3*)
       (segid HPGA and resid 21 and name O3*)
       (segid HPGA and resid 22 and name P  )  50.0  85. 25.0 2
!
assign (segid HPGA and resid 22 and name C2*)
       (segid HPGA and resid 22 and name C3*)
       (segid HPGA and resid 22 and name O3*)
       (segid HPGA and resid 23 and name P  )  50.0  85. 25.0 2
!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -8.688 -23.760  -5.899
    2   2H5*    G   1          2H5*        G   1  -9.573 -22.787  -4.696
    3    H4*    G   1           H4*        G   1  -7.721 -24.112  -3.698
    4    H3*    G   1           H3*        G   1  -7.444 -21.094  -3.803
    5   1H2*    G   1           H2*        G   1  -5.417 -21.233  -2.626
    6   2HO*    G   1           HO2*       G   1  -4.732 -23.253  -1.688
    7    H1*    G   1           H1*        G   1  -4.415 -23.428  -3.948
    8    H8     G   1           H8         G   1  -5.940 -21.369  -6.615
    9    H1     G   1           H1         G   1  -0.639 -18.630  -4.367
   10   1H2     G   1          1H2         G   1  -0.009 -19.627  -2.487
   11   2H2     G   1          2H2         G   1  -0.892 -20.967  -1.790
   12    H5T    G   1           H5*        G   1  -9.125 -21.612  -6.599
   13   1H5*    G   2          1H5*        G   2  -7.326 -21.704   0.824
   14   2H5*    G   2          2H5*        G   2  -8.106 -20.188   1.351
   15    H4*    G   2           H4*        G   2  -5.719 -20.708   2.198
   16    H3*    G   2           H3*        G   2  -6.419 -18.152   0.703
   17   1H2*    G   2           H2*        G   2  -4.243 -17.365   1.180
   18   2HO*    G   2           HO2*       G   2  -2.840 -18.650   2.574
   19    H1*    G   2           H1*        G   2  -2.964 -19.733   0.616
   20    H8     G   2           H8         G   2  -5.582 -19.356  -1.998
   21    H1     G   2           H1         G   2  -0.776 -15.269  -2.911
   22   1H2     G   2          1H2         G   2   0.518 -15.206  -1.108
   23   2H2     G   2          2H2         G   2   0.196 -16.171   0.315
   24   1H5*    G   3          1H5*        G   3  -4.632 -17.082   4.623
   25   2H5*    G   3          2H5*        G   3  -5.232 -15.477   5.115
   26    H4*    G   3           H4*        G   3  -2.670 -15.864   4.883
   27    H3*    G   3           H3*        G   3  -4.182 -13.625   3.492
   28   1H2*    G   3           H2*        G   3  -2.121 -12.768   2.740
   29   2HO*    G   3           HO2*       G   3  -0.845 -14.644   4.481
   30    H1*    G   3           H1*        G   3  -1.010 -15.201   2.083
   31    H8     G   3           H8         G   3  -4.469 -15.466   0.827
   32    H1     G   3           H1         G   3  -1.097 -11.315  -2.642
   33   1H2     G   3          1H2         G   3   1.209 -11.485  -0.032
   34   2H2     G   3          2H2         G   3   0.787 -10.800  -1.585
   35   1H5*    A   4          1H5*        A   4  -0.877 -12.007   6.217
   36   2H5*    A   4          2H5*        A   4  -1.291 -10.336   6.648
   37    H4*    A   4           H4*        A   4   1.020 -10.823   5.518
   38    H3*    A   4           H3*        A   4  -0.948  -8.650   4.740
   39   1H2*    A   4           H2*        A   4   0.549  -7.869   3.110
   40   2HO*    A   4           HO2*       A   4   2.423  -8.051   4.550
   41    H1*    A   4           H1*        A   4   1.418 -10.345   2.237
   42    H8     A   4           H8         A   4  -2.234 -10.749   2.487
   43   1H6     A   4          1H6         A   4  -2.865  -7.445  -2.673
   44   2H6     A   4          2H6         A   4  -3.676  -8.502  -1.540
   45    H2     A   4           H2         A   4   1.355  -6.957  -1.216
   46   1H5*    U   5          1H5*        U   5   1.796  -4.396   5.917
   47   2H5*    U   5          2H5*        U   5   0.518  -4.190   4.702
   48    H4*    U   5           H4*        U   5   3.468  -4.748   4.222
   49    H3*    U   5           H3*        U   5   2.252  -2.342   4.516
   50   1H2*    U   5           H2*        U   5   0.545  -2.604   2.940
   51   2HO*    U   5           HO2*       U   5   2.749  -1.698   1.353
   52    H1*    U   5           H1*        U   5   2.355  -3.857   0.896
   53    H3     U   5           H3         U   5  -1.394  -4.240  -1.564
   54    H5     U   5           H5         U   5  -2.494  -5.936   2.132
   55    H6     U   5           H6         U   5  -0.323  -5.292   3.002
   56   1H5*    A   6          1H5*        A   6   6.739  -2.611   4.114
   57   2H5*    A   6          2H5*        A   6   7.558  -1.042   4.259
   58    H4*    A   6           H4*        A   6   9.068  -2.284   2.960
   59    H3*    A   6           H3*        A   6   7.170  -0.742   1.166
   60   1H2*    A   6           H2*        A   6   8.283  -1.569  -0.732
   61   2HO*    A   6           HO2*       A   6  10.433  -1.264   0.320
   62    H1*    A   6           H1*        A   6   8.602  -4.148   0.179
   63    H8     A   6           H8         A   6   5.167  -3.423   1.218
   64   1H6     A   6          1H6         A   6   3.330  -3.806  -4.645
   65   2H6     A   6          2H6         A   6   2.803  -3.746  -2.977
   66    H2     A   6           H2         A   6   7.817  -3.588  -4.605
   67   1H5*    C   7          1H5*        C   7  10.220   0.540  -0.537
   68   2H5*    C   7          2H5*        C   7  10.320   2.287  -0.834
   69    H4*    C   7           H4*        C   7  10.145   1.179  -2.975
   70    H3*    C   7           H3*        C   7   7.590   2.512  -2.019
   71   1H2*    C   7           H2*        C   7   6.567   1.972  -4.067
   72   2HO*    C   7           HO2*       C   7   8.744   2.482  -5.192
   73    H1*    C   7           H1*        C   7   7.623  -0.568  -4.277
   74   1H4     C   7          1H4         C   7   2.343  -0.781  -0.272
   75   2H4     C   7          2H4         C   7   1.731  -1.112  -1.877
   76    H5     C   7           H5         C   7   4.631  -0.167   0.168
   77    H6     C   7           H6         C   7   6.827   0.254  -0.834
   78   1H5*    U   8          1H5*        U   8   9.007   4.153  -5.863
   79   2H5*    U   8          2H5*        U   8   8.437   5.801  -6.188
   80    H4*    U   8           H4*        U   8   7.873   3.973  -7.931
   81    H3*    U   8           H3*        U   8   5.858   5.851  -6.662
   82   1H2*    U   8           H2*        U   8   4.163   4.948  -8.010
   83   2HO*    U   8           HO2*       U   8   6.185   3.586  -9.506
   84    H1*    U   8           H1*        U   8   4.977   2.310  -7.851
   85    H3     U   8           H3         U   8   0.910   2.827  -5.782
   86    H5     U   8           H5         U   8   3.774   3.993  -2.919
   87    H6     U   8           H6         U   8   5.467   3.859  -4.648
   88   1H5*    G   9          1H5*        G   9   4.464   6.171 -10.048
   89   2H5*    G   9          2H5*        G   9   4.546   7.819 -10.722
   90    H4*    G   9           H4*        G   9   2.255   7.104 -10.842
   91    H3*    G   9           H3*        G   9   2.816   8.878  -8.446
   92   1H2*    G   9           H2*        G   9   0.551   8.797  -7.845
   93   2HO*    G   9           HO2*       G   9   0.022   7.611 -10.392
   94    H1*    G   9           H1*        G   9   0.140   6.131  -8.445
   95    H8     G   9           H8         G   9   3.427   6.814  -6.653
   96    H1     G   9           H1         G   9  -1.557   6.379  -2.699
   97   1H2     G   9          1H2         G   9  -3.473   6.342  -5.612
   98   2H2     G   9          2H2         G   9  -3.444   6.291  -3.863
   99   1H5*    C  10          1H5*        C  10  -0.350  10.945 -10.084
  100   2H5*    C  10          2H5*        C  10   0.023  12.675 -10.226
  101    H4*    C  10           H4*        C  10  -1.993  12.396  -8.882
  102    H3*    C  10           H3*        C  10   0.528  13.214  -7.407
  103   1H2*    C  10           H2*        C  10  -0.690  13.384  -5.408
  104   2HO*    C  10           HO2*       C  10  -3.014  13.304  -7.070
  105    H1*    C  10           H1*        C  10  -2.283  11.159  -5.793
  106   1H4     C  10          1H4         C  10   3.572   9.313  -3.268
  107   2H4     C  10          2H4         C  10   2.429   9.283  -1.943
  108    H5     C  10           H5         C  10   2.999  10.055  -5.488
  109    H6     C  10           H6         C  10   1.216  10.944  -6.911
  110   1H5*    U  11          1H5*        U  11  -2.063  15.826  -6.128
  111   2H5*    U  11          2H5*        U  11  -1.584  17.534  -6.149
  112    H4*    U  11           H4*        U  11  -2.176  16.869  -3.868
  113    H3*    U  11           H3*        U  11   0.763  17.352  -4.451
  114   1H2*    U  11           H2*        U  11   1.283  16.961  -2.193
  115   2HO*    U  11           HO2*       U  11  -1.526  17.211  -1.713
  116    H1*    U  11           H1*        U  11  -0.478  14.868  -1.800
  117    H3     U  11           H3         U  11   3.723  13.136  -1.451
  118    H5     U  11           H5         U  11   3.072  13.528  -5.596
  119    H6     U  11           H6         U  11   1.029  14.736  -5.097
  120   1H5*    U  12          1H5*        U  12  -1.349  21.876  -2.720
  121   2H5*    U  12          2H5*        U  12  -0.061  22.534  -1.694
  122    H4*    U  12           H4*        U  12  -1.720  22.807  -0.172
  123    H3*    U  12           H3*        U  12  -0.398  20.512   0.409
  124   1H2*    U  12           H2*        U  12  -1.752  19.034  -0.806
  125   2HO*    U  12           HO2*       U  12  -3.582  18.760   1.174
  126    H1*    U  12           H1*        U  12  -4.291  20.338   0.158
  127    H3     U  12           H3         U  12  -6.222  17.093  -2.341
  128    H5     U  12           H5         U  12  -3.712  19.101  -5.064
  129    H6     U  12           H6         U  12  -2.844  20.398  -3.209
  130   1H5*    C  13          1H5*        C  13  -1.644  18.953   2.582
  131   2H5*    C  13          2H5*        C  13  -1.318  19.058   4.321
  132    H4*    C  13           H4*        C  13  -0.738  16.838   3.400
  133    H3*    C  13           H3*        C  13   0.761  18.267   5.162
  134   1H2*    C  13           H2*        C  13   2.136  19.326   3.618
  135   2HO*    C  13           HO2*       C  13   4.138  18.353   3.735
  136    H1*    C  13           H1*        C  13   2.541  16.811   2.006
  137   1H4     C  13          1H4         C  13   4.780  21.043  -2.150
  138   2H4     C  13          2H4         C  13   3.737  22.303  -1.532
  139    H5     C  13           H5         C  13   2.154  21.952   0.255
  140    H6     C  13           H6         C  13   1.264  20.324   1.850
  141   1H5*    G  14          1H5*        G  14   0.822  14.894   6.345
  142   2H5*    G  14          2H5*        G  14   1.321  13.222   6.714
  143    H4*    G  14           H4*        G  14  -1.145  13.694   6.980
  144    H3*    G  14           H3*        G  14  -0.175  11.700   4.910
  145   1H2*    G  14           H2*        G  14  -2.398  11.183   4.370
  146   2HO*    G  14           HO2*       G  14  -3.037  11.151   6.680
  147    H1*    G  14           H1*        G  14  -3.396  13.754   4.516
  148    H8     G  14           H8         G  14  -3.857  14.051   2.003
  149    H1     G  14           H1         G  14   1.624  11.319   0.233
  150   1H2     G  14          1H2         G  14   2.791  10.731   2.030
  151   2H2     G  14          2H2         G  14   2.213  11.010   3.657
  152   1H5*    G  15          1H5*        G  15  -1.853   9.248   8.182
  153   2H5*    G  15          2H5*        G  15  -1.519   7.497   8.105
  154    H4*    G  15           H4*        G  15  -3.750   8.416   7.124
  155    H3*    G  15           H3*        G  15  -1.786   6.659   5.616
  156   1H2*    G  15           H2*        G  15  -3.255   6.603   3.778
  157   2HO*    G  15           HO2*       G  15  -5.230   7.915   5.372
  158    H1*    G  15           H1*        G  15  -3.977   9.255   3.854
  159    H8     G  15           H8         G  15  -0.304   8.285   4.515
  160    H1     G  15           H1         G  15  -1.633   9.480  -1.606
  161   1H2     G  15          1H2         G  15  -3.814   9.822  -1.856
  162   2H2     G  15          2H2         G  15  -4.935   9.756  -0.514
  163   1H5*    U  16          1H5*        U  16  -5.614   5.168   5.184
  164   2H5*    U  16          2H5*        U  16  -5.740   3.432   4.838
  165    H4*    U  16           H4*        U  16  -6.554   5.079   3.015
  166    H3*    U  16           H3*        U  16  -4.591   2.814   2.560
  167   1H2*    U  16           H2*        U  16  -4.521   3.331   0.268
  168   2HO*    U  16           HO2*       U  16  -6.865   3.610   0.122
  169    H1*    U  16           H1*        U  16  -4.560   6.083   0.538
  170    H3     U  16           H3         U  16  -0.439   5.272  -1.130
  171    H5     U  16           H5         U  16  -0.233   3.771   2.801
  172    H6     U  16           H6         U  16  -2.608   4.212   3.026
  173   1H5*    A  17          1H5*        A  17  -8.407   1.759   0.660
  174   2H5*    A  17          2H5*        A  17  -8.589   0.092   0.078
  175    H4*    A  17           H4*        A  17  -7.974   2.117  -1.574
  176    H3*    A  17           H3*        A  17  -8.021  -0.585  -1.876
  177   1H2*    A  17           H2*        A  17  -5.891  -1.051  -0.996
  178   2HO*    A  17           HO2*       A  17  -5.888  -0.814  -3.773
  179    H1*    A  17           H1*        A  17  -4.623   1.233  -2.497
  180    H8     A  17           H8         A  17  -4.943  -0.616   0.896
  181   1H6     A  17          1H6         A  17   1.006   0.750   1.713
  182   2H6     A  17          2H6         A  17  -0.381  -0.074   2.389
  183    H2     A  17           H2         A  17  -0.344   2.646  -2.128
  184   1H5*    A  18          1H5*        A  18  -9.540   1.088  -6.759
  185   2H5*    A  18          2H5*        A  18  -9.564  -0.623  -7.232
  186    H4*    A  18           H4*        A  18  -8.474   0.489  -9.028
  187    H3*    A  18           H3*        A  18  -6.503  -0.743  -7.078
  188   1H2*    A  18           H2*        A  18  -4.721  -0.046  -8.444
  189   2HO*    A  18           HO2*       A  18  -6.405  -0.452 -10.416
  190    H1*    A  18           H1*        A  18  -5.719   2.448  -9.031
  191    H8     A  18           H8         A  18  -6.381   1.651  -5.409
  192   1H6     A  18          1H6         A  18  -0.597   3.375  -4.205
  193   2H6     A  18          2H6         A  18  -2.142   2.944  -3.506
  194    H2     A  18           H2         A  18  -1.076   3.134  -8.667
  195   1H5*    G  19          1H5*        G  19  -5.233  -1.992 -10.735
  196   2H5*    G  19          2H5*        G  19  -4.406  -3.571 -10.727
  197    H4*    G  19           H4*        G  19  -3.074  -1.410 -11.340
  198    H3*    G  19           H3*        G  19  -2.229  -3.452  -9.263
  199   1H2*    G  19           H2*        G  19  -0.233  -2.271  -8.910
  200   2HO*    G  19           HO2*       G  19   0.053  -1.908 -11.271
  201    H1*    G  19           H1*        G  19  -1.323   0.267  -9.039
  202    H8     G  19           H8         G  19  -3.776  -1.211  -6.872
  203    H1     G  19           H1         G  19   1.905  -1.369  -3.981
  204   1H2     G  19          1H2         G  19   3.519  -0.993  -5.460
  205   2H2     G  19          2H2         G  19   3.190  -0.706  -7.154
  206   1H5*    U  20          1H5*        U  20   1.079  -3.496 -10.751
  207   2H5*    U  20          2H5*        U  20   1.741  -5.096 -11.143
  208    H4*    U  20           H4*        U  20   3.007  -3.883  -9.332
  209    H3*    U  20           H3*        U  20   1.628  -6.531  -8.796
  210   1H2*    U  20           H2*        U  20   2.489  -6.546  -6.614
  211   2HO*    U  20           HO2*       U  20   4.208  -4.422  -7.458
  212    H1*    U  20           H1*        U  20   2.145  -3.853  -6.095
  213    H3     U  20           H3         U  20  -0.516  -6.668  -3.518
  214    H5     U  20           H5         U  20  -2.769  -5.636  -6.928
  215    H6     U  20           H6         U  20  -0.761  -4.669  -7.883
  216   1H5*    C  21          1H5*        C  21   5.502  -6.737  -7.337
  217   2H5*    C  21          2H5*        C  21   6.324  -8.264  -7.721
  218    H4*    C  21           H4*        C  21   6.374  -7.760  -5.286
  219    H3*    C  21           H3*        C  21   4.808 -10.155  -6.290
  220   1H2*    C  21           H2*        C  21   4.301 -10.762  -4.082
  221   2HO*    C  21           HO2*       C  21   6.182  -8.810  -3.173
  222    H1*    C  21           H1*        C  21   3.869  -8.206  -3.121
  223   1H4     C  21          1H4         C  21  -1.661 -10.361  -6.080
  224   2H4     C  21          2H4         C  21  -1.884 -10.647  -4.370
  225    H5     C  21           H5         C  21   0.394  -9.526  -7.023
  226    H6     C  21           H6         C  21   2.675  -8.782  -6.530
  227   1H5*    C  22          1H5*        C  22   7.365 -11.546  -3.072
  228   2H5*    C  22          2H5*        C  22   8.393 -12.814  -3.770
  229    H4*    C  22           H4*        C  22   7.503 -13.513  -1.578
  230    H3*    C  22           H3*        C  22   6.496 -14.926  -4.066
  231   1H2*    C  22           H2*        C  22   5.224 -16.382  -2.737
  232   2HO*    C  22           HO2*       C  22   6.581 -15.363  -0.436
  233    H1*    C  22           H1*        C  22   4.381 -14.506  -0.891
  234   1H4     C  22          1H4         C  22   0.390 -14.128  -6.164
  235   2H4     C  22          2H4         C  22  -0.337 -15.331  -5.122
  236    H5     C  22           H5         C  22   2.531 -13.118  -5.720
  237    H6     C  22           H6         C  22   4.432 -13.034  -4.179
  238   1H5*    C  23          1H5*        C  23   7.289 -18.123  -1.239
  239   2H5*    C  23          2H5*        C  23   8.565 -19.058  -2.045
  240    H4*    C  23           H4*        C  23   6.956 -20.654  -1.286
  241    H3*    C  23           H3*        C  23   6.705 -20.000  -4.238
  242   1H2*    C  23           H2*        C  23   4.972 -21.569  -4.443
  243   2HO*    C  23           HO2*       C  23   5.996 -23.248  -3.229
  244    H1*    C  23           H1*        C  23   3.726 -21.012  -2.039
  245   1H4     C  23          1H4         C  23   1.706 -16.657  -6.619
  246   2H4     C  23          2H4         C  23   0.432 -17.846  -6.473
  247    H5     C  23           H5         C  23   3.801 -16.816  -5.438
  248    H6     C  23           H6         C  23   5.127 -18.150  -3.866
  249    H3T    C  23           H3T        C  23   7.731 -22.125  -4.403
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -11.632 -22.157  -4.449
    2   2H5*    G   1          2H5*        G   1 -12.249 -20.630  -3.766
    3    H4*    G   1           H4*        G   1 -10.790 -21.917  -2.197
    4    H3*    G   1           H3*        G   1  -9.825 -19.250  -3.272
    5   1H2*    G   1           H2*        G   1  -7.897 -19.397  -1.943
    6   2HO*    G   1           HO2*       G   1  -7.706 -20.949  -0.265
    7    H1*    G   1           H1*        G   1  -7.432 -22.091  -2.309
    8    H8     G   1           H8         G   1  -8.514 -19.734  -5.183
    9    H1     G   1           H1         G   1  -2.217 -20.616  -4.713
   10   1H2     G   1          1H2         G   1  -1.757 -21.873  -2.943
   11   2H2     G   1          2H2         G   1  -3.002 -22.493  -1.881
   12    H5T    G   1           H5*        G   1 -11.411 -20.568  -5.984
   13   1H5*    G   2          1H5*        G   2  -9.993 -19.261   1.300
   14   2H5*    G   2          2H5*        G   2 -10.379 -17.606   1.841
   15    H4*    G   2           H4*        G   2  -8.390 -18.698   2.968
   16    H3*    G   2           H3*        G   2  -8.053 -16.180   1.307
   17   1H2*    G   2           H2*        G   2  -5.788 -16.094   1.918
   18   2HO*    G   2           HO2*       G   2  -5.005 -17.679   3.544
   19    H1*    G   2           H1*        G   2  -5.287 -18.796   1.717
   20    H8     G   2           H8         G   2  -7.452 -17.534  -1.125
   21    H1     G   2           H1         G   2  -1.253 -16.333  -2.012
   22   1H2     G   2          1H2         G   2  -0.119 -16.782  -0.158
   23   2H2     G   2          2H2         G   2  -0.892 -17.379   1.294
   24   1H5*    G   3          1H5*        G   3  -6.208 -15.522   5.210
   25   2H5*    G   3          2H5*        G   3  -6.504 -13.838   5.716
   26    H4*    G   3           H4*        G   3  -4.079 -14.639   5.720
   27    H3*    G   3           H3*        G   3  -5.008 -12.281   4.053
   28   1H2*    G   3           H2*        G   3  -2.799 -11.896   3.369
   29   2HO*    G   3           HO2*       G   3  -2.103 -12.502   5.718
   30    H1*    G   3           H1*        G   3  -2.070 -14.539   3.052
   31    H8     G   3           H8         G   3  -5.432 -14.266   1.521
   32    H1     G   3           H1         G   3  -1.019 -11.395  -2.069
   33   1H2     G   3          1H2         G   3   1.022 -11.698   0.742
   34   2H2     G   3          2H2         G   3   0.858 -11.148  -0.911
   35   1H5*    A   4          1H5*        A   4  -1.639 -11.032   6.735
   36   2H5*    A   4          2H5*        A   4  -1.802  -9.302   7.100
   37    H4*    A   4           H4*        A   4   0.407 -10.110   6.000
   38    H3*    A   4           H3*        A   4  -1.312  -7.812   5.020
   39   1H2*    A   4           H2*        A   4   0.252  -7.350   3.335
   40   2HO*    A   4           HO2*       A   4   2.350  -8.059   3.384
   41    H1*    A   4           H1*        A   4   0.837  -9.972   2.686
   42    H8     A   4           H8         A   4  -2.820 -10.007   2.926
   43   1H6     A   4          1H6         A   4  -3.175  -6.941  -2.396
   44   2H6     A   4          2H6         A   4  -4.066  -7.869  -1.212
   45    H2     A   4           H2         A   4   1.082  -6.755  -0.965
   46   1H5*    U   5          1H5*        U   5   1.710  -3.791   5.977
   47   2H5*    U   5          2H5*        U   5   0.547  -3.445   4.682
   48    H4*    U   5           H4*        U   5   3.396  -4.468   4.416
   49    H3*    U   5           H3*        U   5   2.523  -1.899   4.455
   50   1H2*    U   5           H2*        U   5   0.897  -2.026   2.788
   51   2HO*    U   5           HO2*       U   5   3.233  -1.685   1.179
   52    H1*    U   5           H1*        U   5   2.556  -3.712   0.950
   53    H3     U   5           H3         U   5  -1.178  -3.668  -1.578
   54    H5     U   5           H5         U   5  -2.572  -4.947   2.187
   55    H6     U   5           H6         U   5  -0.340  -4.593   3.064
   56   1H5*    A   6          1H5*        A   6   7.145  -2.634   3.861
   57   2H5*    A   6          2H5*        A   6   7.987  -1.071   3.920
   58    H4*    A   6           H4*        A   6   9.392  -2.370   2.555
   59    H3*    A   6           H3*        A   6   7.423  -0.799   0.868
   60   1H2*    A   6           H2*        A   6   8.397  -1.657  -1.086
   61   2HO*    A   6           HO2*       A   6  10.522  -2.612   0.574
   62    H1*    A   6           H1*        A   6   8.753  -4.237  -0.169
   63    H8     A   6           H8         A   6   5.379  -3.595   1.021
   64   1H6     A   6          1H6         A   6   2.815  -3.745  -3.067
   65   2H6     A   6          2H6         A   6   3.260  -3.730  -4.759
   66    H2     A   6           H2         A   6   7.744  -3.467  -4.923
   67   1H5*    C   7          1H5*        C   7  10.339   0.405  -0.980
   68   2H5*    C   7          2H5*        C   7  10.577   2.148  -1.221
   69    H4*    C   7           H4*        C   7  10.213   1.237  -3.397
   70    H3*    C   7           H3*        C   7   7.721   2.509  -2.220
   71   1H2*    C   7           H2*        C   7   6.566   2.073  -4.217
   72   2HO*    C   7           HO2*       C   7   9.130   1.515  -5.355
   73    H1*    C   7           H1*        C   7   7.620  -0.438  -4.662
   74   1H4     C   7          1H4         C   7   2.612  -0.983  -0.355
   75   2H4     C   7          2H4         C   7   1.897  -1.200  -1.937
   76    H5     C   7           H5         C   7   4.922  -0.383  -0.022
   77    H6     C   7           H6         C   7   7.044   0.133  -1.133
   78   1H5*    U   8          1H5*        U   8   8.867   4.118  -6.145
   79   2H5*    U   8          2H5*        U   8   8.438   5.829  -6.351
   80    H4*    U   8           H4*        U   8   7.631   4.234  -8.187
   81    H3*    U   8           H3*        U   8   5.789   6.049  -6.598
   82   1H2*    U   8           H2*        U   8   3.966   5.346  -7.903
   83   2HO*    U   8           HO2*       U   8   5.812   4.035  -9.647
   84    H1*    U   8           H1*        U   8   4.648   2.678  -8.020
   85    H3     U   8           H3         U   8   0.834   3.147  -5.526
   86    H5     U   8           H5         U   8   3.994   4.021  -2.879
   87    H6     U   8           H6         U   8   5.507   3.971  -4.772
   88   1H5*    G   9          1H5*        G   9   4.435   6.615 -10.126
   89   2H5*    G   9          2H5*        G   9   4.309   8.323 -10.621
   90    H4*    G   9           H4*        G   9   2.130   7.259 -10.806
   91    H3*    G   9           H3*        G   9   2.460   9.030  -8.359
   92   1H2*    G   9           H2*        G   9   0.191   8.679  -7.834
   93   2HO*    G   9           HO2*       G   9  -0.105   7.417 -10.383
   94    H1*    G   9           H1*        G   9   0.162   5.989  -8.419
   95    H8     G   9           H8         G   9   3.367   6.748  -6.630
   96    H1     G   9           H1         G   9  -1.628   6.707  -2.673
   97   1H2     G   9          1H2         G   9  -3.518   6.658  -3.839
   98   2H2     G   9          2H2         G   9  -3.541   6.635  -5.589
   99   1H5*    C  10          1H5*        C  10  -0.995  10.690  -9.722
  100   2H5*    C  10          2H5*        C  10  -0.860  12.462  -9.729
  101    H4*    C  10           H4*        C  10  -2.732  11.681  -8.291
  102    H3*    C  10           H3*        C  10  -0.331  13.031  -7.015
  103   1H2*    C  10           H2*        C  10  -1.375  12.921  -4.916
  104   2HO*    C  10           HO2*       C  10  -3.514  12.820  -4.651
  105    H1*    C  10           H1*        C  10  -2.447  10.394  -5.202
  106   1H4     C  10          1H4         C  10   3.880   9.749  -3.357
  107   2H4     C  10          2H4         C  10   3.001   9.981  -1.862
  108    H5     C  10           H5         C  10   2.858   9.915  -5.528
  109    H6     C  10           H6         C  10   0.778  10.356  -6.742
  110   1H5*    U  11          1H5*        U  11  -2.844  14.907  -4.850
  111   2H5*    U  11          2H5*        U  11  -2.524  16.654  -4.853
  112    H4*    U  11           H4*        U  11  -2.261  15.730  -2.584
  113    H3*    U  11           H3*        U  11   0.230  16.665  -4.045
  114   1H2*    U  11           H2*        U  11   1.525  16.207  -2.136
  115   2HO*    U  11           HO2*       U  11  -0.980  16.082  -0.775
  116    H1*    U  11           H1*        U  11   0.292  13.835  -1.462
  117    H3     U  11           H3         U  11   4.542  12.856  -2.829
  118    H5     U  11           H5         U  11   2.381  13.456  -6.397
  119    H6     U  11           H6         U  11   0.505  14.210  -5.059
  120   1H5*    U  12          1H5*        U  12  -1.658  20.663  -1.078
  121   2H5*    U  12          2H5*        U  12  -0.149  21.595  -1.004
  122    H4*    U  12           H4*        U  12  -0.598  21.778   1.210
  123    H3*    U  12           H3*        U  12   1.114  19.696   0.890
  124   1H2*    U  12           H2*        U  12  -0.482  17.995   0.677
  125   2HO*    U  12           HO2*       U  12  -0.622  16.917   2.716
  126    H1*    U  12           H1*        U  12  -2.142  19.057   2.954
  127    H3     U  12           H3         U  12  -4.799  15.529   2.064
  128    H5     U  12           H5         U  12  -4.411  17.421  -1.683
  129    H6     U  12           H6         U  12  -2.823  18.952  -0.671
  130   1H5*    C  13          1H5*        C  13   1.362  18.614   5.240
  131   2H5*    C  13          2H5*        C  13   3.107  18.485   5.532
  132    H4*    C  13           H4*        C  13   1.405  16.345   5.441
  133    H3*    C  13           H3*        C  13   4.075  16.660   5.837
  134   1H2*    C  13           H2*        C  13   4.723  16.864   3.591
  135   2HO*    C  13           HO2*       C  13   5.970  15.151   4.232
  136    H1*    C  13           H1*        C  13   2.946  14.592   2.721
  137   1H4     C  13          1H4         C  13   4.946  17.293  -2.721
  138   2H4     C  13          2H4         C  13   3.923  18.675  -2.404
  139    H5     C  13           H5         C  13   2.670  18.949  -0.366
  140    H6     C  13           H6         C  13   2.156  17.980   1.826
  141   1H5*    G  14          1H5*        G  14   4.544  11.389   7.804
  142   2H5*    G  14          2H5*        G  14   4.097  10.442   6.363
  143    H4*    G  14           H4*        G  14   2.444  11.439   8.483
  144    H3*    G  14           H3*        G  14   1.962  10.035   5.836
  145   1H2*    G  14           H2*        G  14  -0.353  10.308   6.127
  146   2HO*    G  14           HO2*       G  14  -0.006  11.388   8.727
  147    H1*    G  14           H1*        G  14  -0.249  12.889   7.088
  148    H8     G  14           H8         G  14  -1.790  13.181   4.958
  149    H1     G  14           H1         G  14   3.039  11.940   0.988
  150   1H2     G  14          1H2         G  14   4.781  11.061   3.876
  151   2H2     G  14          2H2         G  14   4.798  11.229   2.135
  152   1H5*    G  15          1H5*        G  15   0.096   7.721   8.408
  153   2H5*    G  15          2H5*        G  15  -0.158   5.967   8.204
  154    H4*    G  15           H4*        G  15  -2.157   7.377   7.632
  155    H3*    G  15           H3*        G  15  -0.755   5.786   5.462
  156   1H2*    G  15           H2*        G  15  -2.381   6.460   3.905
  157   2HO*    G  15           HO2*       G  15  -4.392   6.891   4.470
  158    H1*    G  15           H1*        G  15  -2.589   9.073   4.757
  159    H8     G  15           H8         G  15   0.860   7.359   4.536
  160    H1     G  15           H1         G  15  -0.847  10.509  -0.735
  161   1H2     G  15          1H2         G  15  -2.921  11.281  -0.520
  162   2H2     G  15          2H2         G  15  -3.877  11.015   0.921
  163   1H5*    U  16          1H5*        U  16  -4.601   4.906   5.525
  164   2H5*    U  16          2H5*        U  16  -5.243   3.290   5.162
  165    H4*    U  16           H4*        U  16  -6.058   4.997   3.549
  166    H3*    U  16           H3*        U  16  -4.209   2.793   2.588
  167   1H2*    U  16           H2*        U  16  -4.417   3.572   0.379
  168   2HO*    U  16           HO2*       U  16  -6.566   3.971   0.126
  169    H1*    U  16           H1*        U  16  -4.295   6.258   0.977
  170    H3     U  16           H3         U  16  -0.422   5.452  -1.200
  171    H5     U  16           H5         U  16   0.129   3.574   2.531
  172    H6     U  16           H6         U  16  -2.188   4.076   3.052
  173   1H5*    A  17          1H5*        A  17  -7.912   2.152   0.804
  174   2H5*    A  17          2H5*        A  17  -8.392   0.557   0.194
  175    H4*    A  17           H4*        A  17  -7.603   2.456  -1.477
  176    H3*    A  17           H3*        A  17  -7.925  -0.223  -1.768
  177   1H2*    A  17           H2*        A  17  -5.824  -0.888  -0.934
  178   2HO*    A  17           HO2*       A  17  -6.162  -1.180  -3.490
  179    H1*    A  17           H1*        A  17  -4.405   1.240  -2.523
  180    H8     A  17           H8         A  17  -4.667  -0.714   0.802
  181   1H6     A  17          1H6         A  17   1.322   0.544   1.511
  182   2H6     A  17          2H6         A  17  -0.055  -0.296   2.187
  183    H2     A  17           H2         A  17  -0.120   2.657  -2.180
  184   1H5*    A  18          1H5*        A  18  -9.507   1.204  -6.664
  185   2H5*    A  18          2H5*        A  18  -9.469  -0.533  -7.033
  186    H4*    A  18           H4*        A  18  -8.482   0.606  -8.910
  187    H3*    A  18           H3*        A  18  -6.482  -0.689  -7.031
  188   1H2*    A  18           H2*        A  18  -4.727  -0.050  -8.461
  189   2HO*    A  18           HO2*       A  18  -6.612  -0.279 -10.359
  190    H1*    A  18           H1*        A  18  -5.661   2.477  -9.015
  191    H8     A  18           H8         A  18  -6.255   1.824  -5.377
  192   1H6     A  18          1H6         A  18  -0.338   3.151  -4.348
  193   2H6     A  18          2H6         A  18  -1.896   2.863  -3.607
  194    H2     A  18           H2         A  18  -0.926   2.785  -8.790
  195   1H5*    G  19          1H5*        G  19  -5.341  -2.145 -10.711
  196   2H5*    G  19          2H5*        G  19  -4.561  -3.744 -10.594
  197    H4*    G  19           H4*        G  19  -3.170  -1.654 -11.333
  198    H3*    G  19           H3*        G  19  -2.379  -3.604  -9.148
  199   1H2*    G  19           H2*        G  19  -0.339  -2.471  -8.889
  200   2HO*    G  19           HO2*       G  19  -0.953  -0.997 -11.262
  201    H1*    G  19           H1*        G  19  -1.357   0.084  -9.130
  202    H8     G  19           H8         G  19  -3.837  -1.180  -6.874
  203    H1     G  19           H1         G  19   1.862  -1.469  -4.026
  204   1H2     G  19          1H2         G  19   3.474  -1.241  -5.537
  205   2H2     G  19          2H2         G  19   3.141  -1.017  -7.239
  206   1H5*    U  20          1H5*        U  20   0.822  -3.826 -10.630
  207   2H5*    U  20          2H5*        U  20   1.476  -5.431 -11.015
  208    H4*    U  20           H4*        U  20   2.824  -4.286  -9.275
  209    H3*    U  20           H3*        U  20   1.243  -6.765  -8.528
  210   1H2*    U  20           H2*        U  20   2.158  -6.696  -6.366
  211   2HO*    U  20           HO2*       U  20   4.248  -5.574  -7.634
  212    H1*    U  20           H1*        U  20   2.011  -3.965  -6.026
  213    H3     U  20           H3         U  20  -0.863  -6.271  -3.224
  214    H5     U  20           H5         U  20  -3.003  -5.556  -6.783
  215    H6     U  20           H6         U  20  -0.936  -4.801  -7.800
  216   1H5*    C  21          1H5*        C  21   5.193  -7.375  -7.075
  217   2H5*    C  21          2H5*        C  21   5.700  -9.046  -7.401
  218    H4*    C  21           H4*        C  21   5.876  -8.422  -4.982
  219    H3*    C  21           H3*        C  21   3.966 -10.598  -5.885
  220   1H2*    C  21           H2*        C  21   3.392 -11.036  -3.654
  221   2HO*    C  21           HO2*       C  21   5.555  -9.356  -2.834
  222    H1*    C  21           H1*        C  21   3.352  -8.409  -2.792
  223   1H4     C  21          1H4         C  21  -2.710 -10.022  -3.936
  224   2H4     C  21          2H4         C  21  -2.479  -9.731  -5.645
  225    H5     C  21           H5         C  21  -0.343  -9.190  -6.615
  226    H6     C  21           H6         C  21   2.032  -8.805  -6.158
  227   1H5*    C  22          1H5*        C  22   6.218 -11.949  -2.621
  228   2H5*    C  22          2H5*        C  22   7.030 -13.484  -2.996
  229    H4*    C  22           H4*        C  22   5.917 -13.613  -0.803
  230    H3*    C  22           H3*        C  22   4.772 -15.235  -3.095
  231   1H2*    C  22           H2*        C  22   3.183 -16.182  -1.655
  232   2HO*    C  22           HO2*       C  22   3.356 -15.797   0.675
  233    H1*    C  22           H1*        C  22   2.629 -13.887  -0.215
  234   1H4     C  22          1H4         C  22  -0.897 -13.821  -5.835
  235   2H4     C  22          2H4         C  22  -1.992 -14.357  -4.580
  236    H5     C  22           H5         C  22   1.447 -13.431  -5.463
  237    H6     C  22           H6         C  22   3.247 -13.434  -3.802
  238   1H5*    C  23          1H5*        C  23   5.110 -17.782   0.364
  239   2H5*    C  23          2H5*        C  23   6.239 -19.070  -0.106
  240    H4*    C  23           H4*        C  23   4.390 -20.106   1.053
  241    H3*    C  23           H3*        C  23   4.368 -20.420  -1.965
  242   1H2*    C  23           H2*        C  23   2.442 -21.750  -1.825
  243   2HO*    C  23           HO2*       C  23   3.079 -23.101  -0.112
  244    H1*    C  23           H1*        C  23   1.173 -20.308   0.164
  245   1H4     C  23          1H4         C  23   0.080 -17.538  -5.774
  246   2H4     C  23          2H4         C  23  -1.392 -18.377  -5.338
  247    H5     C  23           H5         C  23   2.070 -17.573  -4.416
  248    H6     C  23           H6         C  23   3.094 -18.460  -2.376
  249    H3T    C  23           H3T        C  23   5.088 -22.591  -1.360
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1 -11.751 -22.035  -5.305
    2   2H5*    G   1          2H5*        G   1 -12.195 -20.533  -4.454
    3    H4*    G   1           H4*        G   1 -10.730 -22.127  -3.148
    4    H3*    G   1           H3*        G   1  -9.751 -19.354  -3.893
    5   1H2*    G   1           H2*        G   1  -7.758 -19.729  -2.715
    6   2HO*    G   1           HO2*       G   1  -8.921 -22.096  -1.616
    7    H1*    G   1           H1*        G   1  -7.402 -22.368  -3.453
    8    H8     G   1           H8         G   1  -8.524 -19.652  -5.969
    9    H1     G   1           H1         G   1  -2.235 -20.690  -5.831
   10   1H2     G   1          1H2         G   1  -1.745 -22.155  -4.235
   11   2H2     G   1          2H2         G   1  -2.966 -22.872  -3.209
   12    H5T    G   1           H5*        G   1 -10.692 -19.430  -5.669
   13   1H5*    G   2          1H5*        G   2  -9.912 -19.686   0.838
   14   2H5*    G   2          2H5*        G   2 -10.215 -18.008   1.355
   15    H4*    G   2           H4*        G   2  -8.252 -19.224   2.452
   16    H3*    G   2           H3*        G   2  -7.898 -16.652   0.881
   17   1H2*    G   2           H2*        G   2  -5.624 -16.620   1.464
   18   2HO*    G   2           HO2*       G   2  -6.360 -17.534   3.725
   19    H1*    G   2           H1*        G   2  -5.164 -19.319   1.157
   20    H8     G   2           H8         G   2  -7.333 -18.017  -1.643
   21    H1     G   2           H1         G   2  -1.170 -16.604  -2.465
   22   1H2     G   2          1H2         G   2  -0.034 -17.065  -0.616
   23   2H2     G   2          2H2         G   2  -0.794 -17.720   0.816
   24   1H5*    G   3          1H5*        G   3  -6.015 -16.032   4.887
   25   2H5*    G   3          2H5*        G   3  -6.311 -14.329   5.319
   26    H4*    G   3           H4*        G   3  -3.884 -15.179   5.357
   27    H3*    G   3           H3*        G   3  -4.794 -12.810   3.696
   28   1H2*    G   3           H2*        G   3  -2.572 -12.428   3.036
   29   2HO*    G   3           HO2*       G   3  -1.908 -13.072   5.391
   30    H1*    G   3           H1*        G   3  -1.864 -15.075   2.701
   31    H8     G   3           H8         G   3  -5.192 -14.833   1.128
   32    H1     G   3           H1         G   3  -0.814 -11.759  -2.336
   33   1H2     G   3          1H2         G   3   1.195 -12.066   0.498
   34   2H2     G   3          2H2         G   3   1.038 -11.485  -1.145
   35   1H5*    A   4          1H5*        A   4  -1.441 -11.584   6.352
   36   2H5*    A   4          2H5*        A   4  -1.691  -9.896   6.841
   37    H4*    A   4           H4*        A   4   0.560 -10.457   5.740
   38    H3*    A   4           H3*        A   4  -1.314  -8.282   4.762
   39   1H2*    A   4           H2*        A   4   0.259  -7.663   3.130
   40   2HO*    A   4           HO2*       A   4   2.088  -7.789   4.610
   41    H1*    A   4           H1*        A   4   1.061 -10.217   2.449
   42    H8     A   4           H8         A   4  -2.592 -10.529   2.603
   43   1H6     A   4          1H6         A   4  -3.031  -7.437  -2.704
   44   2H6     A   4          2H6         A   4  -3.886  -8.437  -1.551
   45    H2     A   4           H2         A   4   1.160  -6.958  -1.157
   46   1H5*    U   5          1H5*        U   5   1.573  -4.065   5.713
   47   2H5*    U   5          2H5*        U   5   0.404  -3.942   4.381
   48    H4*    U   5           H4*        U   5   3.348  -4.695   4.179
   49    H3*    U   5           H3*        U   5   2.297  -2.193   4.259
   50   1H2*    U   5           H2*        U   5   0.689  -2.409   2.588
   51   2HO*    U   5           HO2*       U   5   3.044  -1.814   1.081
   52    H1*    U   5           H1*        U   5   2.459  -3.939   0.719
   53    H3     U   5           H3         U   5  -1.318  -4.022  -1.767
   54    H5     U   5           H5         U   5  -2.510  -5.713   1.905
   55    H6     U   5           H6         U   5  -0.314  -5.186   2.787
   56   1H5*    A   6          1H5*        A   6   6.867  -2.699   3.876
   57   2H5*    A   6          2H5*        A   6   7.701  -1.137   4.017
   58    H4*    A   6           H4*        A   6   9.192  -2.391   2.709
   59    H3*    A   6           H3*        A   6   7.293  -0.832   0.932
   60   1H2*    A   6           H2*        A   6   8.392  -1.659  -0.976
   61   2HO*    A   6           HO2*       A   6  10.411  -2.634   0.800
   62    H1*    A   6           H1*        A   6   8.694  -4.245  -0.073
   63    H8     A   6           H8         A   6   5.272  -3.591   0.989
   64   1H6     A   6          1H6         A   6   3.386  -3.758  -4.873
   65   2H6     A   6          2H6         A   6   2.872  -3.767  -3.201
   66    H2     A   6           H2         A   6   7.871  -3.494  -4.860
   67   1H5*    C   7          1H5*        C   7  10.250   0.361  -0.865
   68   2H5*    C   7          2H5*        C   7  10.423   2.114  -1.097
   69    H4*    C   7           H4*        C   7  10.153   1.148  -3.278
   70    H3*    C   7           H3*        C   7   7.645   2.450  -2.176
   71   1H2*    C   7           H2*        C   7   6.524   1.996  -4.187
   72   2HO*    C   7           HO2*       C   7   8.661   2.560  -5.379
   73    H1*    C   7           H1*        C   7   7.572  -0.528  -4.585
   74   1H4     C   7          1H4         C   7   2.473  -0.960  -0.366
   75   2H4     C   7          2H4         C   7   1.787  -1.199  -1.958
   76    H5     C   7           H5         C   7   4.782  -0.380   0.002
   77    H6     C   7           H6         C   7   6.930   0.096  -1.072
   78   1H5*    U   8          1H5*        U   8   8.916   4.176  -6.021
   79   2H5*    U   8          2H5*        U   8   8.425   5.870  -6.230
   80    H4*    U   8           H4*        U   8   7.698   4.206  -8.060
   81    H3*    U   8           H3*        U   8   5.814   6.045  -6.557
   82   1H2*    U   8           H2*        U   8   4.021   5.297  -7.875
   83   2HO*    U   8           HO2*       U   8   4.921   3.612  -9.632
   84    H1*    U   8           H1*        U   8   4.739   2.632  -7.947
   85    H3     U   8           H3         U   8   0.817   3.182  -5.610
   86    H5     U   8           H5         U   8   3.893   3.977  -2.843
   87    H6     U   8           H6         U   8   5.477   3.900  -4.677
   88   1H5*    G   9          1H5*        G   9   4.467   6.565 -10.145
   89   2H5*    G   9          2H5*        G   9   4.338   8.284 -10.599
   90    H4*    G   9           H4*        G   9   2.166   7.188 -10.808
   91    H3*    G   9           H3*        G   9   2.475   8.971  -8.365
   92   1H2*    G   9           H2*        G   9   0.188   8.639  -7.895
   93   2HO*    G   9           HO2*       G   9  -1.156   7.482  -9.420
   94    H1*    G   9           H1*        G   9   0.189   5.941  -8.419
   95    H8     G   9           H8         G   9   3.376   6.763  -6.623
   96    H1     G   9           H1         G   9  -1.650   6.793  -2.703
   97   1H2     G   9          1H2         G   9  -3.531   6.685  -3.882
   98   2H2     G   9          2H2         G   9  -3.539   6.605  -5.629
   99   1H5*    C  10          1H5*        C  10  -0.922  10.658  -9.747
  100   2H5*    C  10          2H5*        C  10  -0.771  12.428  -9.750
  101    H4*    C  10           H4*        C  10  -2.654  11.641  -8.322
  102    H3*    C  10           H3*        C  10  -0.274  13.024  -7.044
  103   1H2*    C  10           H2*        C  10  -1.341  12.921  -4.953
  104   2HO*    C  10           HO2*       C  10  -3.496  12.726  -4.708
  105    H1*    C  10           H1*        C  10  -2.406  10.387  -5.234
  106   1H4     C  10          1H4         C  10   3.871   9.711  -3.240
  107   2H4     C  10          2H4         C  10   2.959   9.961  -1.768
  108    H5     C  10           H5         C  10   2.900   9.872  -5.437
  109    H6     C  10           H6         C  10   0.854  10.326  -6.702
  110   1H5*    U  11          1H5*        U  11  -2.870  14.968  -4.919
  111   2H5*    U  11          2H5*        U  11  -2.488  16.703  -4.935
  112    H4*    U  11           H4*        U  11  -2.285  15.743  -2.659
  113    H3*    U  11           H3*        U  11   0.216  16.706  -4.081
  114   1H2*    U  11           H2*        U  11   1.494  16.223  -2.172
  115   2HO*    U  11           HO2*       U  11  -1.014  16.080  -0.816
  116    H1*    U  11           H1*        U  11   0.221  13.864  -1.498
  117    H3     U  11           H3         U  11   4.506  12.835  -2.699
  118    H5     U  11           H5         U  11   2.449  13.321  -6.344
  119    H6     U  11           H6         U  11   0.546  14.147  -5.087
  120   1H5*    U  12          1H5*        U  12  -1.753  20.647  -1.146
  121   2H5*    U  12          2H5*        U  12  -0.303  21.669  -1.149
  122    H4*    U  12           H4*        U  12  -0.642  21.866   1.083
  123    H3*    U  12           H3*        U  12   1.105  19.806   0.754
  124   1H2*    U  12           H2*        U  12  -0.444  18.061   0.632
  125   2HO*    U  12           HO2*       U  12  -0.017  16.921   2.381
  126    H1*    U  12           H1*        U  12  -2.096  19.118   2.908
  127    H3     U  12           H3         U  12  -4.685  15.527   2.060
  128    H5     U  12           H5         U  12  -4.320  17.370  -1.711
  129    H6     U  12           H6         U  12  -2.787  18.963  -0.715
  130   1H5*    C  13          1H5*        C  13   0.955  18.504   4.883
  131   2H5*    C  13          2H5*        C  13   2.615  18.506   5.511
  132    H4*    C  13           H4*        C  13   1.208  16.245   5.315
  133    H3*    C  13           H3*        C  13   3.835  16.752   5.784
  134   1H2*    C  13           H2*        C  13   4.534  16.966   3.540
  135   2HO*    C  13           HO2*       C  13   5.690  15.109   3.066
  136    H1*    C  13           H1*        C  13   2.958  14.539   2.697
  137   1H4     C  13          1H4         C  13   4.781  17.140  -2.835
  138   2H4     C  13          2H4         C  13   3.688  18.479  -2.567
  139    H5     C  13           H5         C  13   2.475  18.799  -0.507
  140    H6     C  13           H6         C  13   2.004  17.874   1.709
  141   1H5*    G  14          1H5*        G  14   4.470  11.442   7.738
  142   2H5*    G  14          2H5*        G  14   4.065  10.554   6.248
  143    H4*    G  14           H4*        G  14   2.345  11.635   8.320
  144    H3*    G  14           H3*        G  14   1.933  10.117   5.720
  145   1H2*    G  14           H2*        G  14  -0.400  10.402   5.983
  146   2HO*    G  14           HO2*       G  14  -1.328  10.679   7.884
  147    H1*    G  14           H1*        G  14  -0.271  13.031   6.800
  148    H8     G  14           H8         G  14  -1.840  13.075   4.639
  149    H1     G  14           H1         G  14   3.124  11.987   0.791
  150   1H2     G  14          1H2         G  14   4.914  11.445   1.993
  151   2H2     G  14          2H2         G  14   4.877  11.350   3.740
  152   1H5*    G  15          1H5*        G  15   0.103   7.833   8.404
  153   2H5*    G  15          2H5*        G  15  -0.148   6.081   8.195
  154    H4*    G  15           H4*        G  15  -2.142   7.496   7.622
  155    H3*    G  15           H3*        G  15  -0.742   5.905   5.455
  156   1H2*    G  15           H2*        G  15  -2.378   6.568   3.904
  157   2HO*    G  15           HO2*       G  15  -3.876   7.386   6.195
  158    H1*    G  15           H1*        G  15  -2.574   9.190   4.742
  159    H8     G  15           H8         G  15   0.878   7.480   4.525
  160    H1     G  15           H1         G  15  -0.868  10.527  -0.798
  161   1H2     G  15          1H2         G  15  -2.941  11.289  -0.594
  162   2H2     G  15          2H2         G  15  -3.894  11.049   0.854
  163   1H5*    U  16          1H5*        U  16  -4.578   4.993   5.517
  164   2H5*    U  16          2H5*        U  16  -5.176   3.364   5.140
  165    H4*    U  16           H4*        U  16  -5.984   5.109   3.531
  166    H3*    U  16           H3*        U  16  -4.199   2.842   2.602
  167   1H2*    U  16           H2*        U  16  -4.386   3.579   0.385
  168   2HO*    U  16           HO2*       U  16  -6.612   3.978   0.281
  169    H1*    U  16           H1*        U  16  -4.221   6.280   0.930
  170    H3     U  16           H3         U  16  -0.374   5.400  -1.267
  171    H5     U  16           H5         U  16   0.147   3.489   2.451
  172    H6     U  16           H6         U  16  -2.152   4.048   2.990
  173   1H5*    A  17          1H5*        A  17  -8.024   2.132   0.815
  174   2H5*    A  17          2H5*        A  17  -8.307   0.505   0.164
  175    H4*    A  17           H4*        A  17  -7.700   2.592  -1.415
  176    H3*    A  17           H3*        A  17  -7.929  -0.083  -1.815
  177   1H2*    A  17           H2*        A  17  -5.799  -0.740  -1.146
  178   2HO*    A  17           HO2*       A  17  -4.443  -0.533  -3.282
  179    H1*    A  17           H1*        A  17  -4.405   1.526  -2.535
  180    H8     A  17           H8         A  17  -4.858  -0.469   0.752
  181   1H6     A  17          1H6         A  17   1.145   0.443   1.677
  182   2H6     A  17          2H6         A  17  -0.307  -0.317   2.289
  183    H2     A  17           H2         A  17  -0.029   2.611  -2.092
  184   1H5*    A  18          1H5*        A  18  -9.515   1.332  -6.709
  185   2H5*    A  18          2H5*        A  18  -9.508  -0.413  -7.047
  186    H4*    A  18           H4*        A  18  -8.479   0.674  -8.934
  187    H3*    A  18           H3*        A  18  -6.535  -0.634  -7.005
  188   1H2*    A  18           H2*        A  18  -4.742  -0.059  -8.414
  189   2HO*    A  18           HO2*       A  18  -6.425  -0.454 -10.348
  190    H1*    A  18           H1*        A  18  -5.609   2.479  -9.022
  191    H8     A  18           H8         A  18  -6.275   1.808  -5.384
  192   1H6     A  18          1H6         A  18  -0.379   3.169  -4.260
  193   2H6     A  18          2H6         A  18  -1.944   2.865  -3.541
  194    H2     A  18           H2         A  18  -0.909   2.842  -8.712
  195   1H5*    G  19          1H5*        G  19  -5.402  -1.884 -10.656
  196   2H5*    G  19          2H5*        G  19  -4.698  -3.522 -10.712
  197    H4*    G  19           H4*        G  19  -3.207  -1.502 -11.348
  198    H3*    G  19           H3*        G  19  -2.490  -3.551  -9.231
  199   1H2*    G  19           H2*        G  19  -0.406  -2.514  -8.929
  200   2HO*    G  19           HO2*       G  19  -0.943  -0.949 -11.263
  201    H1*    G  19           H1*        G  19  -1.307   0.093  -9.106
  202    H8     G  19           H8         G  19  -3.838  -1.188  -6.892
  203    H1     G  19           H1         G  19   1.839  -1.600  -4.022
  204   1H2     G  19          1H2         G  19   3.462  -1.354  -5.517
  205   2H2     G  19          2H2         G  19   3.143  -1.087  -7.216
  206   1H5*    U  20          1H5*        U  20   0.800  -3.764 -10.775
  207   2H5*    U  20          2H5*        U  20   1.357  -5.400 -11.187
  208    H4*    U  20           H4*        U  20   2.800  -4.330  -9.468
  209    H3*    U  20           H3*        U  20   1.135  -6.753  -8.724
  210   1H2*    U  20           H2*        U  20   2.091  -6.754  -6.578
  211   2HO*    U  20           HO2*       U  20   4.208  -5.743  -7.875
  212    H1*    U  20           H1*        U  20   2.089  -4.018  -6.207
  213    H3     U  20           H3         U  20  -0.836  -6.059  -3.294
  214    H5     U  20           H5         U  20  -2.988  -5.522  -6.878
  215    H6     U  20           H6         U  20  -0.916  -4.856  -7.948
  216   1H5*    C  21          1H5*        C  21   5.009  -7.375  -7.265
  217   2H5*    C  21          2H5*        C  21   5.614  -8.977  -7.742
  218    H4*    C  21           H4*        C  21   5.863  -8.611  -5.305
  219    H3*    C  21           H3*        C  21   3.879 -10.684  -6.295
  220   1H2*    C  21           H2*        C  21   3.384 -11.289  -4.081
  221   2HO*    C  21           HO2*       C  21   4.738 -10.266  -2.343
  222    H1*    C  21           H1*        C  21   3.425  -8.738  -3.013
  223   1H4     C  21          1H4         C  21  -2.523  -9.783  -5.749
  224   2H4     C  21          2H4         C  21  -2.704 -10.167  -4.051
  225    H5     C  21           H5         C  21  -0.411  -9.213  -6.756
  226    H6     C  21           H6         C  21   1.982  -8.886  -6.356
  227   1H5*    C  22          1H5*        C  22   6.265 -12.286  -3.149
  228   2H5*    C  22          2H5*        C  22   7.021 -13.797  -3.696
  229    H4*    C  22           H4*        C  22   6.020 -14.075  -1.457
  230    H3*    C  22           H3*        C  22   4.764 -15.515  -3.812
  231   1H2*    C  22           H2*        C  22   3.222 -16.550  -2.374
  232   2HO*    C  22           HO2*       C  22   5.224 -16.496  -0.655
  233    H1*    C  22           H1*        C  22   2.760 -14.368  -0.739
  234   1H4     C  22          1H4         C  22  -1.014 -13.828  -6.170
  235   2H4     C  22          2H4         C  22  -2.061 -14.427  -4.903
  236    H5     C  22           H5         C  22   1.354 -13.494  -5.876
  237    H6     C  22           H6         C  22   3.228 -13.664  -4.309
  238   1H5*    C  23          1H5*        C  23   5.178 -18.438  -0.586
  239   2H5*    C  23          2H5*        C  23   6.303 -19.638  -1.258
  240    H4*    C  23           H4*        C  23   4.483 -20.831  -0.201
  241    H3*    C  23           H3*        C  23   4.403 -20.753  -3.234
  242   1H2*    C  23           H2*        C  23   2.494 -22.118  -3.226
  243   2HO*    C  23           HO2*       C  23   3.240 -23.638  -1.671
  244    H1*    C  23           H1*        C  23   1.251 -20.948  -1.051
  245   1H4     C  23          1H4         C  23   0.039 -17.471  -6.582
  246   2H4     C  23          2H4         C  23  -1.406 -18.402  -6.259
  247    H5     C  23           H5         C  23   2.038 -17.632  -5.251
  248    H6     C  23           H6         C  23   3.097 -18.738  -3.341
  249    H3T    C  23           H3T        C  23   5.154 -22.977  -2.931
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1 -14.691 -16.074  -6.768
    2   2H5*    G   1          2H5*        G   1 -15.050 -14.808  -5.565
    3    H4*    G   1           H4*        G   1 -14.092 -16.903  -4.583
    4    H3*    G   1           H3*        G   1 -12.482 -14.334  -4.488
    5   1H2*    G   1           H2*        G   1 -10.814 -15.416  -3.240
    6   2HO*    G   1           HO2*       G   1 -11.161 -17.538  -2.378
    7    H1*    G   1           H1*        G   1 -10.821 -17.777  -4.653
    8    H8     G   1           H8         G   1 -11.085 -15.154  -7.248
    9    H1     G   1           H1         G   1  -5.276 -15.184  -4.621
   10   1H2     G   1          1H2         G   1  -5.280 -16.428  -2.785
   11   2H2     G   1          2H2         G   1  -6.713 -17.251  -2.209
   12    H5T    G   1           H5*        G   1 -13.295 -13.676  -6.233
   13   1H5*    G   2          1H5*        G   2 -12.950 -15.134   0.059
   14   2H5*    G   2          2H5*        G   2 -12.947 -13.468   0.692
   15    H4*    G   2           H4*        G   2 -11.130 -15.125   1.514
   16    H3*    G   2           H3*        G   2 -10.485 -12.424   0.271
   17   1H2*    G   2           H2*        G   2  -8.221 -12.787   0.838
   18   2HO*    G   2           HO2*       G   2  -8.850 -13.766   2.964
   19    H1*    G   2           H1*        G   2  -8.160 -15.423   0.060
   20    H8     G   2           H8         G   2 -10.151 -13.675  -2.544
   21    H1     G   2           H1         G   2  -3.964 -12.201  -2.968
   22   1H2     G   2          1H2         G   2  -3.711 -13.698   0.170
   23   2H2     G   2          2H2         G   2  -2.897 -12.880  -1.144
   24   1H5*    G   3          1H5*        G   3  -8.677 -12.493   4.360
   25   2H5*    G   3          2H5*        G   3  -8.448 -10.808   4.896
   26    H4*    G   3           H4*        G   3  -6.393 -12.427   4.659
   27    H3*    G   3           H3*        G   3  -6.564  -9.628   3.484
   28   1H2*    G   3           H2*        G   3  -4.310  -9.829   2.823
   29   2HO*    G   3           HO2*       G   3  -2.965 -11.471   3.578
   30    H1*    G   3           H1*        G   3  -4.503 -12.427   1.930
   31    H8     G   3           H8         G   3  -7.585 -10.936   0.617
   32    H1     G   3           H1         G   3  -2.486  -8.466  -2.304
   33   1H2     G   3          1H2         G   3  -0.677  -9.929   0.294
   34   2H2     G   3          2H2         G   3  -0.644  -8.979  -1.174
   35   1H5*    A   4          1H5*        A   4  -3.136 -10.200   6.105
   36   2H5*    A   4          2H5*        A   4  -2.562  -8.706   6.875
   37    H4*    A   4           H4*        A   4  -0.874 -10.096   5.460
   38    H3*    A   4           H3*        A   4  -1.368  -7.115   5.210
   39   1H2*    A   4           H2*        A   4   0.326  -6.967   3.591
   40   2HO*    A   4           HO2*       A   4   1.081  -9.632   4.307
   41    H1*    A   4           H1*        A   4  -0.266  -9.319   2.269
   42    H8     A   4           H8         A   4  -3.553  -7.729   2.836
   43   1H6     A   4          1H6         A   4  -2.323  -3.768  -1.713
   44   2H6     A   4          2H6         A   4  -3.566  -4.395  -0.654
   45    H2     A   4           H2         A   4   1.483  -5.923  -0.679
   46   1H5*    U   5          1H5*        U   5   3.604  -5.644   6.605
   47   2H5*    U   5          2H5*        U   5   2.605  -4.502   5.684
   48    H4*    U   5           H4*        U   5   4.637  -6.491   4.623
   49    H3*    U   5           H3*        U   5   5.015  -3.903   5.337
   50   1H2*    U   5           H2*        U   5   3.325  -2.907   4.067
   51   2HO*    U   5           HO2*       U   5   4.281  -2.054   2.154
   52    H1*    U   5           H1*        U   5   3.838  -4.566   1.626
   53    H3     U   5           H3         U   5   0.259  -2.276   0.082
   54    H5     U   5           H5         U   5  -1.165  -4.083   3.613
   55    H6     U   5           H6         U   5   1.089  -4.863   4.047
   56   1H5*    A   6          1H5*        A   6   9.683  -2.668   4.364
   57   2H5*    A   6          2H5*        A   6   8.940  -1.130   3.884
   58    H4*    A   6           H4*        A   6  10.792  -2.149   2.355
   59    H3*    A   6           H3*        A   6   8.081  -1.138   1.446
   60   1H2*    A   6           H2*        A   6   8.658  -1.576  -0.785
   61   2HO*    A   6           HO2*       A   6  10.954  -2.319  -1.173
   62    H1*    A   6           H1*        A   6   9.961  -3.971  -0.329
   63    H8     A   6           H8         A   6   7.014  -4.475   1.716
   64   1H6     A   6          1H6         A   6   3.588  -5.212  -1.600
   65   2H6     A   6          2H6         A   6   3.518  -4.947  -3.327
   66    H2     A   6           H2         A   6   7.496  -3.245  -4.545
   67   1H5*    C   7          1H5*        C   7  10.561   0.312  -1.171
   68   2H5*    C   7          2H5*        C   7  10.524   2.078  -1.351
   69    H4*    C   7           H4*        C   7  10.321   1.073  -3.550
   70    H3*    C   7           H3*        C   7   7.751   2.230  -2.417
   71   1H2*    C   7           H2*        C   7   6.696   1.785  -4.476
   72   2HO*    C   7           HO2*       C   7   7.916   1.122  -6.319
   73    H1*    C   7           H1*        C   7   7.836  -0.695  -4.863
   74   1H4     C   7          1H4         C   7   2.659  -1.246  -0.746
   75   2H4     C   7          2H4         C   7   2.053  -1.633  -2.340
   76    H5     C   7           H5         C   7   4.918  -0.511  -0.335
   77    H6     C   7           H6         C   7   7.072   0.034  -1.367
   78   1H5*    U   8          1H5*        U   8   8.842   3.834  -6.159
   79   2H5*    U   8          2H5*        U   8   8.492   5.551  -6.440
   80    H4*    U   8           H4*        U   8   7.631   3.971  -8.232
   81    H3*    U   8           H3*        U   8   5.782   5.789  -6.654
   82   1H2*    U   8           H2*        U   8   3.980   5.093  -7.995
   83   2HO*    U   8           HO2*       U   8   5.887   3.816  -9.703
   84    H1*    U   8           H1*        U   8   4.664   2.424  -8.087
   85    H3     U   8           H3         U   8   0.781   3.036  -5.697
   86    H5     U   8           H5         U   8   3.909   3.719  -2.959
   87    H6     U   8           H6         U   8   5.467   3.632  -4.814
   88   1H5*    G   9          1H5*        G   9   4.376   6.516 -10.213
   89   2H5*    G   9          2H5*        G   9   4.285   8.260 -10.569
   90    H4*    G   9           H4*        G   9   2.087   7.200 -10.809
   91    H3*    G   9           H3*        G   9   2.459   8.918  -8.331
   92   1H2*    G   9           H2*        G   9   0.181   8.611  -7.819
   93   2HO*    G   9           HO2*       G   9  -0.474   8.864 -10.110
   94    H1*    G   9           H1*        G   9   0.095   5.931  -8.452
   95    H8     G   9           H8         G   9   3.307   6.559  -6.641
   96    H1     G   9           H1         G   9  -1.703   6.668  -2.701
   97   1H2     G   9          1H2         G   9  -3.588   6.689  -3.874
   98   2H2     G   9          2H2         G   9  -3.607   6.678  -5.623
   99   1H5*    C  10          1H5*        C  10  -0.954  10.775  -9.646
  100   2H5*    C  10          2H5*        C  10  -0.690  12.530  -9.613
  101    H4*    C  10           H4*        C  10  -2.610  11.827  -8.190
  102    H3*    C  10           H3*        C  10  -0.148  13.054  -6.911
  103   1H2*    C  10           H2*        C  10  -1.200  12.984  -4.814
  104   2HO*    C  10           HO2*       C  10  -3.367  12.899  -4.549
  105    H1*    C  10           H1*        C  10  -2.418  10.523  -5.121
  106   1H4     C  10          1H4         C  10   3.811   9.451  -3.159
  107   2H4     C  10          2H4         C  10   2.926   9.765  -1.682
  108    H5     C  10           H5         C  10   2.839   9.672  -5.350
  109    H6     C  10           H6         C  10   0.816  10.254  -6.603
  110   1H5*    U  11          1H5*        U  11  -2.627  15.093  -4.720
  111   2H5*    U  11          2H5*        U  11  -2.168  16.808  -4.752
  112    H4*    U  11           H4*        U  11  -1.986  15.869  -2.468
  113    H3*    U  11           H3*        U  11   0.542  16.687  -3.931
  114   1H2*    U  11           H2*        U  11   1.822  16.161  -2.035
  115   2HO*    U  11           HO2*       U  11  -0.661  16.095  -0.619
  116    H1*    U  11           H1*        U  11   0.440  13.876  -1.313
  117    H3     U  11           H3         U  11   4.664  12.653  -2.580
  118    H5     U  11           H5         U  11   2.546  13.168  -6.187
  119    H6     U  11           H6         U  11   0.707  14.089  -4.902
  120   1H5*    U  12          1H5*        U  12  -1.229  20.789  -0.901
  121   2H5*    U  12          2H5*        U  12   0.351  21.596  -0.858
  122    H4*    U  12           H4*        U  12  -0.108  21.820   1.363
  123    H3*    U  12           H3*        U  12   1.579  19.724   1.002
  124   1H2*    U  12           H2*        U  12  -0.034  18.037   0.833
  125   2HO*    U  12           HO2*       U  12  -0.310  17.237   3.178
  126    H1*    U  12           H1*        U  12  -1.619  19.113   3.154
  127    H3     U  12           H3         U  12  -4.379  15.643   2.361
  128    H5     U  12           H5         U  12  -3.982  17.448  -1.426
  129    H6     U  12           H6         U  12  -2.354  18.965  -0.461
  130   1H5*    C  13          1H5*        C  13   1.409  18.426   5.147
  131   2H5*    C  13          2H5*        C  13   3.082  18.350   5.733
  132    H4*    C  13           H4*        C  13   1.558  16.160   5.546
  133    H3*    C  13           H3*        C  13   4.211  16.539   5.987
  134   1H2*    C  13           H2*        C  13   4.898  16.723   3.738
  135   2HO*    C  13           HO2*       C  13   6.161  15.037   4.475
  136    H1*    C  13           H1*        C  13   3.190  14.387   2.905
  137   1H4     C  13          1H4         C  13   5.145  16.936  -2.608
  138   2H4     C  13          2H4         C  13   4.133  18.334  -2.323
  139    H5     C  13           H5         C  13   2.917  18.686  -0.274
  140    H6     C  13           H6         C  13   2.400  17.769   1.938
  141   1H5*    G  14          1H5*        G  14   4.467  11.317   8.066
  142   2H5*    G  14          2H5*        G  14   4.125  10.339   6.616
  143    H4*    G  14           H4*        G  14   2.322  11.467   8.535
  144    H3*    G  14           H3*        G  14   1.980  10.029   5.878
  145   1H2*    G  14           H2*        G  14  -0.350  10.351   6.090
  146   2HO*    G  14           HO2*       G  14  -1.314  10.550   7.982
  147    H1*    G  14           H1*        G  14  -0.178  12.949   6.985
  148    H8     G  14           H8         G  14  -1.690  13.170   4.845
  149    H1     G  14           H1         G  14   3.166  11.831   0.945
  150   1H2     G  14          1H2         G  14   4.902  11.036   3.862
  151   2H2     G  14          2H2         G  14   4.924  11.157   2.117
  152   1H5*    G  15          1H5*        G  15   0.002   7.778   8.458
  153   2H5*    G  15          2H5*        G  15  -0.276   6.029   8.248
  154    H4*    G  15           H4*        G  15  -2.255   7.468   7.683
  155    H3*    G  15           H3*        G  15  -0.868   5.872   5.507
  156   1H2*    G  15           H2*        G  15  -2.490   6.574   3.954
  157   2HO*    G  15           HO2*       G  15  -4.197   6.349   5.769
  158    H1*    G  15           H1*        G  15  -2.638   9.191   4.796
  159    H8     G  15           H8         G  15   0.771   7.392   4.620
  160    H1     G  15           H1         G  15  -0.778  10.587  -0.675
  161   1H2     G  15          1H2         G  15  -2.830  11.408  -0.492
  162   2H2     G  15          2H2         G  15  -3.817  11.167   0.932
  163   1H5*    U  16          1H5*        U  16  -4.846   4.689   5.634
  164   2H5*    U  16          2H5*        U  16  -5.256   3.066   5.038
  165    H4*    U  16           H4*        U  16  -6.128   5.027   3.635
  166    H3*    U  16           H3*        U  16  -4.379   2.798   2.547
  167   1H2*    U  16           H2*        U  16  -4.505   3.717   0.393
  168   2HO*    U  16           HO2*       U  16  -6.646   5.329   1.395
  169    H1*    U  16           H1*        U  16  -4.337   6.378   1.144
  170    H3     U  16           H3         U  16  -0.491   5.561  -1.126
  171    H5     U  16           H5         U  16   0.078   3.649   2.582
  172    H6     U  16           H6         U  16  -2.237   4.138   3.117
  173   1H5*    A  17          1H5*        A  17  -8.228   2.152   0.739
  174   2H5*    A  17          2H5*        A  17  -8.518   0.521   0.102
  175    H4*    A  17           H4*        A  17  -7.855   2.555  -1.500
  176    H3*    A  17           H3*        A  17  -8.019  -0.131  -1.854
  177   1H2*    A  17           H2*        A  17  -5.897  -0.728  -1.088
  178   2HO*    A  17           HO2*       A  17  -4.480  -0.544  -3.185
  179    H1*    A  17           H1*        A  17  -4.524   1.547  -2.494
  180    H8     A  17           H8         A  17  -5.008  -0.292   0.890
  181   1H6     A  17          1H6         A  17   1.044   0.482   1.695
  182   2H6     A  17          2H6         A  17  -0.416  -0.213   2.363
  183    H2     A  17           H2         A  17  -0.120   2.498  -2.152
  184   1H5*    A  18          1H5*        A  18  -9.509   1.280  -6.779
  185   2H5*    A  18          2H5*        A  18  -9.512  -0.462  -7.121
  186    H4*    A  18           H4*        A  18  -8.419   0.590  -8.979
  187    H3*    A  18           H3*        A  18  -6.502  -0.651  -6.980
  188   1H2*    A  18           H2*        A  18  -4.695  -0.092  -8.378
  189   2HO*    A  18           HO2*       A  18  -6.287  -0.575 -10.331
  190    H1*    A  18           H1*        A  18  -5.580   2.425  -9.037
  191    H8     A  18           H8         A  18  -6.277   1.776  -5.392
  192   1H6     A  18          1H6         A  18  -0.415   3.249  -4.232
  193   2H6     A  18          2H6         A  18  -1.977   2.908  -3.521
  194    H2     A  18           H2         A  18  -0.906   2.906  -8.686
  195   1H5*    G  19          1H5*        G  19  -5.262  -2.088 -10.637
  196   2H5*    G  19          2H5*        G  19  -4.490  -3.690 -10.524
  197    H4*    G  19           H4*        G  19  -3.077  -1.656 -11.301
  198    H3*    G  19           H3*        G  19  -2.310  -3.507  -9.025
  199   1H2*    G  19           H2*        G  19  -0.274  -2.362  -8.786
  200   2HO*    G  19           HO2*       G  19  -0.009  -2.244 -11.190
  201    H1*    G  19           H1*        G  19  -1.282   0.181  -9.173
  202    H8     G  19           H8         G  19  -3.744  -1.320  -6.901
  203    H1     G  19           H1         G  19   1.827  -0.452  -3.923
  204   1H2     G  19          1H2         G  19   3.421  -0.026  -5.407
  205   2H2     G  19          2H2         G  19   3.108   0.046  -7.127
  206   1H5*    U  20          1H5*        U  20   1.078  -3.736 -10.860
  207   2H5*    U  20          2H5*        U  20   1.685  -5.395 -11.033
  208    H4*    U  20           H4*        U  20   3.205  -4.040  -9.639
  209    H3*    U  20           H3*        U  20   1.632  -6.274  -8.323
  210   1H2*    U  20           H2*        U  20   2.723  -5.858  -6.288
  211   2HO*    U  20           HO2*       U  20   4.561  -4.279  -7.809
  212    H1*    U  20           H1*        U  20   2.732  -3.097  -6.465
  213    H3     U  20           H3         U  20  -0.019  -4.116  -2.989
  214    H5     U  20           H5         U  20  -2.273  -5.087  -6.413
  215    H6     U  20           H6         U  20  -0.304  -4.649  -7.758
  216   1H5*    C  21          1H5*        C  21   5.266  -7.277  -6.925
  217   2H5*    C  21          2H5*        C  21   5.620  -8.983  -7.267
  218    H4*    C  21           H4*        C  21   5.748  -8.579  -4.855
  219    H3*    C  21           H3*        C  21   3.385 -10.185  -5.875
  220   1H2*    C  21           H2*        C  21   2.654 -10.524  -3.671
  221   2HO*    C  21           HO2*       C  21   5.158  -9.468  -2.777
  222    H1*    C  21           H1*        C  21   3.220  -7.987  -2.736
  223   1H4     C  21          1H4         C  21  -2.998  -8.055  -4.152
  224   2H4     C  21          2H4         C  21  -2.637  -7.927  -5.860
  225    H5     C  21           H5         C  21  -0.397  -7.962  -6.740
  226    H6     C  21           H6         C  21   1.982  -8.131  -6.178
  227   1H5*    C  22          1H5*        C  22   5.028 -12.599  -2.690
  228   2H5*    C  22          2H5*        C  22   5.402 -14.179  -3.406
  229    H4*    C  22           H4*        C  22   4.155 -14.458  -1.300
  230    H3*    C  22           H3*        C  22   2.749 -15.149  -3.898
  231   1H2*    C  22           H2*        C  22   0.874 -15.889  -2.700
  232   2HO*    C  22           HO2*       C  22   2.617 -16.703  -0.942
  233    H1*    C  22           H1*        C  22   0.898 -13.903  -0.778
  234   1H4     C  22          1H4         C  22  -2.181 -11.513  -6.130
  235   2H4     C  22          2H4         C  22  -3.436 -12.264  -5.170
  236    H5     C  22           H5         C  22   0.161 -11.650  -5.579
  237    H6     C  22           H6         C  22   1.804 -12.525  -3.986
  238   1H5*    C  23          1H5*        C  23   1.893 -18.589  -1.225
  239   2H5*    C  23          2H5*        C  23   2.591 -19.932  -2.152
  240    H4*    C  23           H4*        C  23   0.385 -20.609  -1.450
  241    H3*    C  23           H3*        C  23   0.599 -19.793  -4.365
  242   1H2*    C  23           H2*        C  23  -1.655 -20.343  -4.696
  243   2HO*    C  23           HO2*       C  23  -1.627 -21.606  -2.127
  244    H1*    C  23           H1*        C  23  -2.601 -19.373  -2.282
  245   1H4     C  23          1H4         C  23  -2.123 -14.420  -6.680
  246   2H4     C  23          2H4         C  23  -3.813 -14.874  -6.635
  247    H5     C  23           H5         C  23  -0.417 -15.564  -5.424
  248    H6     C  23           H6         C  23   0.051 -17.421  -3.898
  249    H3T    C  23           H3T        C  23   0.508 -22.143  -4.630
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1 -14.765 -16.827  -6.587
    2   2H5*    G   1          2H5*        G   1 -15.260 -15.476  -5.533
    3    H4*    G   1           H4*        G   1 -14.196 -17.361  -4.293
    4    H3*    G   1           H3*        G   1 -12.733 -14.710  -4.477
    5   1H2*    G   1           H2*        G   1 -11.032 -15.541  -3.087
    6   2HO*    G   1           HO2*       G   1 -11.272 -17.534  -1.959
    7    H1*    G   1           H1*        G   1 -10.878 -18.048  -4.208
    8    H8     G   1           H8         G   1 -11.292 -15.597  -7.000
    9    H1     G   1           H1         G   1  -5.395 -15.448  -4.580
   10   1H2     G   1          1H2         G   1  -5.322 -16.604  -2.688
   11   2H2     G   1          2H2         G   1  -6.724 -17.413  -2.025
   12    H5T    G   1           H5*        G   1 -13.305 -15.597  -7.514
   13   1H5*    G   2          1H5*        G   2 -13.318 -15.115   0.137
   14   2H5*    G   2          2H5*        G   2 -13.226 -13.412   0.656
   15    H4*    G   2           H4*        G   2 -11.489 -15.139   1.561
   16    H3*    G   2           H3*        G   2 -10.741 -12.502   0.242
   17   1H2*    G   2           H2*        G   2  -8.496 -12.926   0.842
   18   2HO*    G   2           HO2*       G   2  -9.279 -13.886   2.984
   19    H1*    G   2           H1*        G   2  -8.525 -15.583   0.136
   20    H8     G   2           H8         G   2 -10.448 -13.734  -2.483
   21    H1     G   2           H1         G   2  -4.173 -12.742  -3.003
   22   1H2     G   2          1H2         G   2  -3.135 -13.499  -1.192
   23   2H2     G   2          2H2         G   2  -3.990 -14.249   0.137
   24   1H5*    G   3          1H5*        G   3  -8.893 -12.629   4.349
   25   2H5*    G   3          2H5*        G   3  -8.596 -10.943   4.844
   26    H4*    G   3           H4*        G   3  -6.612 -12.650   4.690
   27    H3*    G   3           H3*        G   3  -6.654  -9.883   3.443
   28   1H2*    G   3           H2*        G   3  -4.420 -10.180   2.769
   29   2HO*    G   3           HO2*       G   3  -4.173 -11.529   4.981
   30    H1*    G   3           H1*        G   3  -4.682 -12.812   1.984
   31    H8     G   3           H8         G   3  -7.705 -11.105   0.681
   32    H1     G   3           H1         G   3  -2.494  -9.420  -2.582
   33   1H2     G   3          1H2         G   3  -0.746 -10.927   0.032
   34   2H2     G   3          2H2         G   3  -0.673 -10.074  -1.493
   35   1H5*    A   4          1H5*        A   4  -3.291 -10.413   6.127
   36   2H5*    A   4          2H5*        A   4  -2.716  -8.907   6.870
   37    H4*    A   4           H4*        A   4  -1.033 -10.309   5.467
   38    H3*    A   4           H3*        A   4  -1.549  -7.336   5.169
   39   1H2*    A   4           H2*        A   4   0.125  -7.207   3.529
   40   2HO*    A   4           HO2*       A   4   1.680  -8.782   3.245
   41    H1*    A   4           H1*        A   4  -0.461  -9.588   2.254
   42    H8     A   4           H8         A   4  -3.784  -8.122   2.735
   43   1H6     A   4          1H6         A   4  -2.585  -4.008  -1.685
   44   2H6     A   4          2H6         A   4  -3.832  -4.715  -0.683
   45    H2     A   4           H2         A   4   1.279  -6.006  -0.559
   46   1H5*    U   5          1H5*        U   5   3.253  -5.620   6.614
   47   2H5*    U   5          2H5*        U   5   2.236  -4.552   5.623
   48    H4*    U   5           H4*        U   5   4.366  -6.503   4.671
   49    H3*    U   5           H3*        U   5   4.690  -3.912   5.397
   50   1H2*    U   5           H2*        U   5   3.045  -2.926   4.061
   51   2HO*    U   5           HO2*       U   5   5.167  -2.116   3.392
   52    H1*    U   5           H1*        U   5   3.666  -4.582   1.644
   53    H3     U   5           H3         U   5   0.146  -2.170   0.079
   54    H5     U   5           H5         U   5  -1.448  -4.367   3.302
   55    H6     U   5           H6         U   5   0.803  -5.098   3.834
   56   1H5*    A   6          1H5*        A   6   9.363  -2.603   4.575
   57   2H5*    A   6          2H5*        A   6   8.615  -1.089   4.024
   58    H4*    A   6           H4*        A   6  10.561  -2.118   2.613
   59    H3*    A   6           H3*        A   6   7.890  -1.146   1.554
   60   1H2*    A   6           H2*        A   6   8.577  -1.613  -0.640
   61   2HO*    A   6           HO2*       A   6  10.991  -0.991   0.305
   62    H1*    A   6           H1*        A   6   9.872  -3.990  -0.083
   63    H8     A   6           H8         A   6   6.837  -4.494   1.827
   64   1H6     A   6          1H6         A   6   3.565  -5.261  -1.637
   65   2H6     A   6          2H6         A   6   3.572  -5.006  -3.367
   66    H2     A   6           H2         A   6   7.596  -3.300  -4.415
   67   1H5*    C   7          1H5*        C   7  10.494   0.512  -0.914
   68   2H5*    C   7          2H5*        C   7  10.286   2.258  -1.160
   69    H4*    C   7           H4*        C   7  10.278   1.073  -3.315
   70    H3*    C   7           H3*        C   7   7.646   2.256  -2.367
   71   1H2*    C   7           H2*        C   7   6.690   1.675  -4.441
   72   2HO*    C   7           HO2*       C   7   8.174   2.223  -5.954
   73    H1*    C   7           H1*        C   7   7.872  -0.809  -4.623
   74   1H4     C   7          1H4         C   7   2.529  -1.154  -0.699
   75   2H4     C   7          2H4         C   7   1.983  -1.616  -2.295
   76    H5     C   7           H5         C   7   4.773  -0.409  -0.236
   77    H6     C   7           H6         C   7   6.966   0.087  -1.207
   78   1H5*    U   8          1H5*        U   8   8.899   3.862  -6.079
   79   2H5*    U   8          2H5*        U   8   8.488   5.554  -6.421
   80    H4*    U   8           H4*        U   8   7.743   3.866  -8.177
   81    H3*    U   8           H3*        U   8   5.817   5.719  -6.747
   82   1H2*    U   8           H2*        U   8   4.055   4.916  -8.073
   83   2HO*    U   8           HO2*       U   8   4.893   3.238  -9.798
   84    H1*    U   8           H1*        U   8   4.814   2.259  -8.071
   85    H3     U   8           H3         U   8   0.835   2.796  -5.829
   86    H5     U   8           H5         U   8   3.841   3.678  -3.011
   87    H6     U   8           H6         U   8   5.464   3.599  -4.812
   88   1H5*    G   9          1H5*        G   9   4.365   6.184 -10.082
   89   2H5*    G   9          2H5*        G   9   4.454   7.846 -10.722
   90    H4*    G   9           H4*        G   9   2.159   7.165 -10.829
   91    H3*    G   9           H3*        G   9   2.767   8.858  -8.389
   92   1H2*    G   9           H2*        G   9   0.509   8.784  -7.762
   93   2HO*    G   9           HO2*       G   9  -1.059   7.814  -9.281
   94    H1*    G   9           H1*        G   9   0.062   6.141  -8.435
   95    H8     G   9           H8         G   9   3.383   6.687  -6.672
   96    H1     G   9           H1         G   9  -1.559   6.308  -2.661
   97   1H2     G   9          1H2         G   9  -3.463   6.318  -3.803
   98   2H2     G   9          2H2         G   9  -3.512   6.420  -5.549
   99   1H5*    C  10          1H5*        C  10  -0.369  10.996 -10.017
  100   2H5*    C  10          2H5*        C  10  -0.004  12.733 -10.083
  101    H4*    C  10           H4*        C  10  -2.041  12.365  -8.779
  102    H3*    C  10           H3*        C  10   0.448  13.194  -7.260
  103   1H2*    C  10           H2*        C  10  -0.788  13.293  -5.269
  104   2HO*    C  10           HO2*       C  10  -2.650  14.316  -6.529
  105    H1*    C  10           H1*        C  10  -2.329  11.043  -5.723
  106   1H4     C  10          1H4         C  10   3.551   9.265  -3.204
  107   2H4     C  10          2H4         C  10   2.415   9.231  -1.873
  108    H5     C  10           H5         C  10   2.962   9.998  -5.421
  109    H6     C  10           H6         C  10   1.165  10.868  -6.840
  110   1H5*    U  11          1H5*        U  11  -2.130  16.077  -6.054
  111   2H5*    U  11          2H5*        U  11  -1.413  17.701  -6.015
  112    H4*    U  11           H4*        U  11  -2.183  16.947  -3.767
  113    H3*    U  11           H3*        U  11   0.775  17.382  -4.280
  114   1H2*    U  11           H2*        U  11   1.246  16.913  -2.032
  115   2HO*    U  11           HO2*       U  11  -0.110  17.425  -0.487
  116    H1*    U  11           H1*        U  11  -0.560  14.842  -1.734
  117    H3     U  11           H3         U  11   3.661  13.134  -1.369
  118    H5     U  11           H5         U  11   3.026  13.570  -5.513
  119    H6     U  11           H6         U  11   0.967  14.748  -5.008
  120   1H5*    U  12          1H5*        U  12  -1.354  21.809  -2.676
  121   2H5*    U  12          2H5*        U  12  -0.104  22.638  -1.728
  122    H4*    U  12           H4*        U  12  -1.711  22.869  -0.151
  123    H3*    U  12           H3*        U  12  -0.293  20.651   0.510
  124   1H2*    U  12           H2*        U  12  -1.610  19.060  -0.628
  125   2HO*    U  12           HO2*       U  12  -1.840  18.051   1.241
  126    H1*    U  12           H1*        U  12  -4.169  20.320   0.340
  127    H3     U  12           H3         U  12  -6.097  16.942  -1.960
  128    H5     U  12           H5         U  12  -3.738  18.900  -4.851
  129    H6     U  12           H6         U  12  -2.830  20.286  -3.077
  130   1H5*    C  13          1H5*        C  13  -1.724  19.023   2.876
  131   2H5*    C  13          2H5*        C  13  -1.222  19.155   4.572
  132    H4*    C  13           H4*        C  13  -0.835  16.890   3.575
  133    H3*    C  13           H3*        C  13   0.783  18.227   5.306
  134   1H2*    C  13           H2*        C  13   2.176  19.225   3.746
  135   2HO*    C  13           HO2*       C  13   3.501  17.867   5.087
  136    H1*    C  13           H1*        C  13   2.391  16.730   2.072
  137   1H4     C  13          1H4         C  13   4.723  20.937  -2.083
  138   2H4     C  13          2H4         C  13   3.813  22.247  -1.367
  139    H5     C  13           H5         C  13   2.299  21.945   0.487
  140    H6     C  13           H6         C  13   1.359  20.327   2.069
  141   1H5*    G  14          1H5*        G  14   0.810  14.719   6.535
  142   2H5*    G  14          2H5*        G  14   1.274  13.019   6.796
  143    H4*    G  14           H4*        G  14  -1.191  13.567   7.084
  144    H3*    G  14           H3*        G  14  -0.247  11.588   4.984
  145   1H2*    G  14           H2*        G  14  -2.472  11.115   4.428
  146   2HO*    G  14           HO2*       G  14  -4.083  11.281   5.819
  147    H1*    G  14           H1*        G  14  -3.412  13.704   4.599
  148    H8     G  14           H8         G  14  -3.861  14.016   2.100
  149    H1     G  14           H1         G  14   1.546  11.163   0.297
  150   1H2     G  14          1H2         G  14   2.179  10.873   3.713
  151   2H2     G  14          2H2         G  14   2.724  10.566   2.079
  152   1H5*    G  15          1H5*        G  15  -1.828   9.046   8.312
  153   2H5*    G  15          2H5*        G  15  -1.498   7.300   8.150
  154    H4*    G  15           H4*        G  15  -3.730   8.294   7.218
  155    H3*    G  15           H3*        G  15  -1.805   6.546   5.651
  156   1H2*    G  15           H2*        G  15  -3.306   6.546   3.836
  157   2HO*    G  15           HO2*       G  15  -5.432   7.147   4.014
  158    H1*    G  15           H1*        G  15  -3.962   9.210   3.973
  159    H8     G  15           H8         G  15  -0.305   8.174   4.599
  160    H1     G  15           H1         G  15  -1.654   9.396  -1.513
  161   1H2     G  15          1H2         G  15  -3.829   9.762  -1.751
  162   2H2     G  15          2H2         G  15  -4.946   9.706  -0.405
  163   1H5*    U  16          1H5*        U  16  -5.641   5.104   5.222
  164   2H5*    U  16          2H5*        U  16  -5.776   3.371   4.857
  165    H4*    U  16           H4*        U  16  -6.592   5.038   3.055
  166    H3*    U  16           H3*        U  16  -4.633   2.774   2.577
  167   1H2*    U  16           H2*        U  16  -4.558   3.307   0.292
  168   2HO*    U  16           HO2*       U  16  -6.870   3.572   0.075
  169    H1*    U  16           H1*        U  16  -4.598   6.059   0.580
  170    H3     U  16           H3         U  16  -0.479   5.240  -1.091
  171    H5     U  16           H5         U  16  -0.281   3.732   2.837
  172    H6     U  16           H6         U  16  -2.654   4.178   3.061
  173   1H5*    A  17          1H5*        A  17  -8.465   1.674   0.690
  174   2H5*    A  17          2H5*        A  17  -8.589   0.013   0.080
  175    H4*    A  17           H4*        A  17  -8.010   2.089  -1.523
  176    H3*    A  17           H3*        A  17  -8.012  -0.603  -1.876
  177   1H2*    A  17           H2*        A  17  -5.878  -1.062  -1.007
  178   2HO*    A  17           HO2*       A  17  -6.084  -1.204  -3.615
  179    H1*    A  17           H1*        A  17  -4.642   1.281  -2.441
  180    H8     A  17           H8         A  17  -4.991  -0.510   0.989
  181   1H6     A  17          1H6         A  17   1.012   0.668   1.692
  182   2H6     A  17          2H6         A  17  -0.394  -0.093   2.402
  183    H2     A  17           H2         A  17  -0.321   2.488  -2.196
  184   1H5*    A  18          1H5*        A  18  -9.541   0.998  -6.760
  185   2H5*    A  18          2H5*        A  18  -9.532  -0.722  -7.200
  186    H4*    A  18           H4*        A  18  -8.438   0.372  -9.003
  187    H3*    A  18           H3*        A  18  -6.463  -0.779  -7.006
  188   1H2*    A  18           H2*        A  18  -4.688  -0.103  -8.396
  189   2HO*    A  18           HO2*       A  18  -6.633   0.531 -10.394
  190    H1*    A  18           H1*        A  18  -5.718   2.365  -9.036
  191    H8     A  18           H8         A  18  -6.378   1.682  -5.399
  192   1H6     A  18          1H6         A  18  -0.602   3.448  -4.222
  193   2H6     A  18          2H6         A  18  -2.149   3.036  -3.519
  194    H2     A  18           H2         A  18  -1.054   3.058  -8.677
  195   1H5*    G  19          1H5*        G  19  -5.204  -2.010 -10.600
  196   2H5*    G  19          2H5*        G  19  -4.424  -3.612 -10.656
  197    H4*    G  19           H4*        G  19  -3.007  -1.577 -11.310
  198    H3*    G  19           H3*        G  19  -2.232  -3.466  -9.067
  199   1H2*    G  19           H2*        G  19  -0.210  -2.306  -8.796
  200   2HO*    G  19           HO2*       G  19  -0.780  -0.870 -11.201
  201    H1*    G  19           H1*        G  19  -1.247   0.232  -9.128
  202    H8     G  19           H8         G  19  -3.718  -1.293  -6.907
  203    H1     G  19           H1         G  19   1.852  -0.602  -3.882
  204   1H2     G  19          1H2         G  19   3.463  -0.171  -5.347
  205   2H2     G  19          2H2         G  19   3.161  -0.049  -7.066
  206   1H5*    U  20          1H5*        U  20   1.170  -3.633 -10.794
  207   2H5*    U  20          2H5*        U  20   1.765  -5.289 -11.034
  208    H4*    U  20           H4*        U  20   3.280  -4.046  -9.551
  209    H3*    U  20           H3*        U  20   1.606  -6.260  -8.330
  210   1H2*    U  20           H2*        U  20   2.660  -5.932  -6.261
  211   2HO*    U  20           HO2*       U  20   4.587  -4.392  -7.708
  212    H1*    U  20           H1*        U  20   2.759  -3.171  -6.366
  213    H3     U  20           H3         U  20  -0.099  -4.196  -2.983
  214    H5     U  20           H5         U  20  -2.305  -5.003  -6.482
  215    H6     U  20           H6         U  20  -0.291  -4.592  -7.770
  216   1H5*    C  21          1H5*        C  21   5.155  -7.352  -6.832
  217   2H5*    C  21          2H5*        C  21   5.490  -9.063  -7.171
  218    H4*    C  21           H4*        C  21   5.542  -8.672  -4.753
  219    H3*    C  21           H3*        C  21   3.192 -10.235  -5.865
  220   1H2*    C  21           H2*        C  21   2.373 -10.576  -3.695
  221   2HO*    C  21           HO2*       C  21   4.881  -9.601  -2.719
  222    H1*    C  21           H1*        C  21   2.962  -8.059  -2.714
  223   1H4     C  21          1H4         C  21  -3.213  -7.982  -4.298
  224   2H4     C  21          2H4         C  21  -2.801  -7.840  -5.993
  225    H5     C  21           H5         C  21  -0.539  -7.910  -6.813
  226    H6     C  21           H6         C  21   1.818  -8.140  -6.189
  227   1H5*    C  22          1H5*        C  22   4.771 -12.618  -2.596
  228   2H5*    C  22          2H5*        C  22   5.236 -14.172  -3.321
  229    H4*    C  22           H4*        C  22   3.997 -14.550  -1.234
  230    H3*    C  22           H3*        C  22   2.619 -15.251  -3.844
  231   1H2*    C  22           H2*        C  22   0.776 -16.088  -2.661
  232   2HO*    C  22           HO2*       C  22   0.942 -16.264  -0.281
  233    H1*    C  22           H1*        C  22   0.716 -14.138  -0.704
  234   1H4     C  22          1H4         C  22  -2.432 -11.760  -6.020
  235   2H4     C  22          2H4         C  22  -3.660 -12.590  -5.092
  236    H5     C  22           H5         C  22  -0.094 -11.808  -5.454
  237    H6     C  22           H6         C  22   1.575 -12.648  -3.870
  238   1H5*    C  23          1H5*        C  23   1.901 -18.572  -1.190
  239   2H5*    C  23          2H5*        C  23   2.627 -19.966  -2.016
  240    H4*    C  23           H4*        C  23   0.451 -20.663  -1.291
  241    H3*    C  23           H3*        C  23   0.597 -19.949  -4.236
  242   1H2*    C  23           H2*        C  23  -1.651 -20.563  -4.501
  243   2HO*    C  23           HO2*       C  23  -2.775 -21.764  -2.933
  244    H1*    C  23           H1*        C  23  -2.575 -19.515  -2.114
  245   1H4     C  23          1H4         C  23  -2.274 -14.729  -6.707
  246   2H4     C  23          2H4         C  23  -3.954 -15.205  -6.597
  247    H5     C  23           H5         C  23  -0.513 -15.813  -5.469
  248    H6     C  23           H6         C  23   0.019 -17.598  -3.879
  249    H3T    C  23           H3T        C  23   0.554 -22.308  -4.417
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -14.474 -16.696  -7.131
    2   2H5*    G   1          2H5*        G   1 -14.568 -15.101  -6.337
    3    H4*    G   1           H4*        G   1 -13.685 -17.010  -4.910
    4    H3*    G   1           H3*        G   1 -11.994 -14.571  -5.536
    5   1H2*    G   1           H2*        G   1 -10.270 -15.398  -4.182
    6   2HO*    G   1           HO2*       G   1 -12.099 -17.367  -3.202
    7    H1*    G   1           H1*        G   1 -10.503 -18.056  -4.904
    8    H8     G   1           H8         G   1 -10.663 -15.127  -7.435
    9    H1     G   1           H1         G   1  -4.916 -17.825  -6.851
   10   1H2     G   1          1H2         G   1  -4.968 -19.388  -5.275
   11   2H2     G   1          2H2         G   1  -6.418 -19.761  -4.370
   12    H5T    G   1           H5*        G   1 -12.715 -14.491  -7.423
   13   1H5*    G   2          1H5*        G   2 -12.567 -15.140  -0.999
   14   2H5*    G   2          2H5*        G   2 -12.468 -13.531  -0.235
   15    H4*    G   2           H4*        G   2 -10.985 -15.366   0.742
   16    H3*    G   2           H3*        G   2  -9.839 -12.802  -0.404
   17   1H2*    G   2           H2*        G   2  -7.690 -13.469   0.270
   18   2HO*    G   2           HO2*       G   2  -7.465 -15.415   1.612
   19    H1*    G   2           H1*        G   2  -7.941 -16.127  -0.418
   20    H8     G   2           H8         G   2  -9.430 -13.778  -3.006
   21    H1     G   2           H1         G   2  -3.108 -14.413  -3.545
   22   1H2     G   2          1H2         G   2  -2.307 -15.527  -1.800
   23   2H2     G   2          2H2         G   2  -3.329 -16.114  -0.509
   24   1H5*    G   3          1H5*        G   3  -8.203 -13.345   3.563
   25   2H5*    G   3          2H5*        G   3  -7.949 -11.763   4.347
   26    H4*    G   3           H4*        G   3  -5.929 -13.341   4.127
   27    H3*    G   3           H3*        G   3  -5.964 -10.515   3.023
   28   1H2*    G   3           H2*        G   3  -3.724 -10.742   2.366
   29   2HO*    G   3           HO2*       G   3  -3.485 -12.178   4.525
   30    H1*    G   3           H1*        G   3  -3.896 -13.353   1.480
   31    H8     G   3           H8         G   3  -6.912 -11.646   0.150
   32    H1     G   3           H1         G   3  -1.636  -9.765  -2.892
   33   1H2     G   3          1H2         G   3   0.058 -11.347  -0.286
   34   2H2     G   3          2H2         G   3   0.163 -10.435  -1.776
   35   1H5*    A   4          1H5*        A   4  -2.522 -11.076   5.659
   36   2H5*    A   4          2H5*        A   4  -2.026  -9.552   6.423
   37    H4*    A   4           H4*        A   4  -0.309 -10.851   4.927
   38    H3*    A   4           H3*        A   4  -0.929  -7.883   4.822
   39   1H2*    A   4           H2*        A   4   0.713  -7.597   3.168
   40   2HO*    A   4           HO2*       A   4   2.349  -8.867   4.159
   41    H1*    A   4           H1*        A   4   0.184  -9.914   1.758
   42    H8     A   4           H8         A   4  -3.156  -8.512   2.452
   43   1H6     A   4          1H6         A   4  -2.184  -4.247  -1.883
   44   2H6     A   4          2H6         A   4  -3.378  -4.989  -0.843
   45    H2     A   4           H2         A   4   1.733  -6.276  -1.024
   46   1H5*    U   5          1H5*        U   5   3.964  -6.348   6.245
   47   2H5*    U   5          2H5*        U   5   2.995  -5.075   5.476
   48    H4*    U   5           H4*        U   5   5.004  -6.956   4.213
   49    H3*    U   5           H3*        U   5   5.301  -4.393   5.053
   50   1H2*    U   5           H2*        U   5   3.562  -3.388   3.863
   51   2HO*    U   5           HO2*       U   5   4.459  -2.404   1.990
   52    H1*    U   5           H1*        U   5   4.080  -4.909   1.334
   53    H3     U   5           H3         U   5   0.349  -2.907  -0.167
   54    H5     U   5           H5         U   5  -0.850  -4.472   3.558
   55    H6     U   5           H6         U   5   1.438  -5.190   3.919
   56   1H5*    A   6          1H5*        A   6   9.916  -2.939   4.025
   57   2H5*    A   6          2H5*        A   6   9.125  -1.413   3.580
   58    H4*    A   6           H4*        A   6  10.985  -2.367   2.010
   59    H3*    A   6           H3*        A   6   8.244  -1.383   1.162
   60   1H2*    A   6           H2*        A   6   8.791  -1.765  -1.086
   61   2HO*    A   6           HO2*       A   6  11.281  -1.203  -0.238
   62    H1*    A   6           H1*        A   6  10.149  -4.142  -0.703
   63    H8     A   6           H8         A   6   7.231  -4.726   1.375
   64   1H6     A   6          1H6         A   6   3.795  -5.505  -1.921
   65   2H6     A   6          2H6         A   6   3.705  -5.223  -3.645
   66    H2     A   6           H2         A   6   7.636  -3.429  -4.878
   67   1H5*    C   7          1H5*        C   7  10.703   0.369  -1.409
   68   2H5*    C   7          2H5*        C   7  10.473   2.123  -1.567
   69    H4*    C   7           H4*        C   7  10.326   1.069  -3.770
   70    H3*    C   7           H3*        C   7   7.709   2.067  -2.589
   71   1H2*    C   7           H2*        C   7   6.670   1.575  -4.653
   72   2HO*    C   7           HO2*       C   7   7.907   0.988  -6.497
   73    H1*    C   7           H1*        C   7   7.923  -0.847  -5.019
   74   1H4     C   7          1H4         C   7   2.835  -1.554  -0.811
   75   2H4     C   7          2H4         C   7   2.225  -1.999  -2.389
   76    H5     C   7           H5         C   7   5.066  -0.718  -0.447
   77    H6     C   7           H6         C   7   7.180  -0.100  -1.519
   78   1H5*    U   8          1H5*        U   8   8.720   3.622  -6.316
   79   2H5*    U   8          2H5*        U   8   8.403   5.339  -6.638
   80    H4*    U   8           H4*        U   8   7.616   3.767  -8.456
   81    H3*    U   8           H3*        U   8   5.704   5.585  -6.961
   82   1H2*    U   8           H2*        U   8   3.941   4.867  -8.332
   83   2HO*    U   8           HO2*       U   8   5.673   4.836 -10.220
   84    H1*    U   8           H1*        U   8   4.665   2.202  -8.453
   85    H3     U   8           H3         U   8   0.665   2.743  -6.230
   86    H5     U   8           H5         U   8   3.674   3.266  -3.328
   87    H6     U   8           H6         U   8   5.311   3.280  -5.117
   88   1H5*    G   9          1H5*        G   9   4.168   6.219 -10.205
   89   2H5*    G   9          2H5*        G   9   4.311   7.905 -10.763
   90    H4*    G   9           H4*        G   9   1.984   7.363 -10.811
   91    H3*    G   9           H3*        G   9   2.769   8.827  -8.274
   92   1H2*    G   9           H2*        G   9   0.533   8.814  -7.563
   93   2HO*    G   9           HO2*       G   9  -1.152   8.102  -9.055
   94    H1*    G   9           H1*        G   9  -0.071   6.255  -8.418
   95    H8     G   9           H8         G   9   3.333   6.395  -6.775
   96    H1     G   9           H1         G   9  -1.441   6.210  -2.555
   97   1H2     G   9          1H2         G   9  -3.383   6.492  -3.593
   98   2H2     G   9          2H2         G   9  -3.498   6.724  -5.323
   99   1H5*    C  10          1H5*        C  10  -0.297  11.009  -9.299
  100   2H5*    C  10          2H5*        C  10   0.071  12.732  -9.529
  101    H4*    C  10           H4*        C  10  -1.716  12.643  -7.943
  102    H3*    C  10           H3*        C  10   1.005  13.063  -6.677
  103   1H2*    C  10           H2*        C  10   0.003  13.245  -4.564
  104   2HO*    C  10           HO2*       C  10  -2.469  13.514  -5.975
  105    H1*    C  10           H1*        C  10  -1.873  11.245  -4.914
  106   1H4     C  10          1H4         C  10   3.897   8.522  -3.093
  107   2H4     C  10          2H4         C  10   2.935   8.641  -1.637
  108    H5     C  10           H5         C  10   3.184   9.399  -5.221
  109    H6     C  10           H6         C  10   1.401  10.582  -6.413
  110   1H5*    U  11          1H5*        U  11  -1.019  15.559  -4.933
  111   2H5*    U  11          2H5*        U  11  -0.536  17.268  -4.923
  112    H4*    U  11           H4*        U  11  -0.745  16.593  -2.634
  113    H3*    U  11           H3*        U  11   2.110  16.727  -3.635
  114   1H2*    U  11           H2*        U  11   2.866  16.203  -1.464
  115   2HO*    U  11           HO2*       U  11   0.372  16.172  -0.234
  116    H1*    U  11           H1*        U  11   0.940  14.312  -0.886
  117    H3     U  11           H3         U  11   4.851  11.996  -1.192
  118    H5     U  11           H5         U  11   3.772  12.777  -5.190
  119    H6     U  11           H6         U  11   1.993  14.202  -4.365
  120   1H5*    U  12          1H5*        U  12   0.160  21.570  -0.321
  121   2H5*    U  12          2H5*        U  12   1.646  20.908   0.393
  122    H4*    U  12           H4*        U  12  -0.138  21.296   2.097
  123    H3*    U  12           H3*        U  12   1.535  19.165   1.979
  124   1H2*    U  12           H2*        U  12   0.193  17.753   0.667
  125   2HO*    U  12           HO2*       U  12   0.216  16.243   2.143
  126    H1*    U  12           H1*        U  12  -2.308  18.394   2.202
  127    H3     U  12           H3         U  12  -3.808  15.318  -0.852
  128    H5     U  12           H5         U  12  -2.813  18.736  -3.104
  129    H6     U  12           H6         U  12  -1.809  19.681  -1.110
  130   1H5*    C  13          1H5*        C  13   0.307  16.976   4.170
  131   2H5*    C  13          2H5*        C  13   0.768  16.940   5.883
  132    H4*    C  13           H4*        C  13   1.125  14.750   4.831
  133    H3*    C  13           H3*        C  13   2.892  16.023   6.455
  134   1H2*    C  13           H2*        C  13   4.161  17.045   4.815
  135   2HO*    C  13           HO2*       C  13   5.613  15.723   5.988
  136    H1*    C  13           H1*        C  13   4.226  14.589   3.071
  137   1H4     C  13          1H4         C  13   6.367  18.900  -1.074
  138   2H4     C  13          2H4         C  13   5.537  20.199  -0.247
  139    H5     C  13           H5         C  13   4.114  19.847   1.669
  140    H6     C  13           H6         C  13   3.236  18.189   3.241
  141   1H5*    G  14          1H5*        G  14   3.053  12.489   7.553
  142   2H5*    G  14          2H5*        G  14   3.244  10.720   7.663
  143    H4*    G  14           H4*        G  14   0.936  11.518   8.189
  144    H3*    G  14           H3*        G  14   1.372   9.888   5.669
  145   1H2*    G  14           H2*        G  14  -0.953   9.843   5.330
  146   2HO*    G  14           HO2*       G  14  -2.343   9.936   6.937
  147    H1*    G  14           H1*        G  14  -1.409  12.469   6.033
  148    H8     G  14           H8         G  14  -1.986  13.342   3.696
  149    H1     G  14           H1         G  14   2.651  10.049   0.817
  150   1H2     G  14          1H2         G  14   3.468   8.983   4.034
  151   2H2     G  14          2H2         G  14   3.828   8.922   2.323
  152   1H5*    G  15          1H5*        G  15  -0.367   7.188   8.578
  153   2H5*    G  15          2H5*        G  15  -0.357   5.441   8.217
  154    H4*    G  15           H4*        G  15  -2.479   6.810   7.640
  155    H3*    G  15           H3*        G  15  -0.951   5.117   5.637
  156   1H2*    G  15           H2*        G  15  -2.567   5.593   3.997
  157   2HO*    G  15           HO2*       G  15  -4.235   5.642   6.031
  158    H1*    G  15           H1*        G  15  -2.865   8.261   4.603
  159    H8     G  15           H8         G  15   0.646   6.661   4.674
  160    H1     G  15           H1         G  15  -0.957   9.191  -0.954
  161   1H2     G  15          1H2         G  15  -3.058   9.901  -0.897
  162   2H2     G  15          2H2         G  15  -4.063   9.752   0.526
  163   1H5*    U  16          1H5*        U  16  -4.964   4.059   5.426
  164   2H5*    U  16          2H5*        U  16  -5.278   2.423   4.812
  165    H4*    U  16           H4*        U  16  -6.071   4.429   3.368
  166    H3*    U  16           H3*        U  16  -4.398   2.100   2.381
  167   1H2*    U  16           H2*        U  16  -4.447   2.972   0.200
  168   2HO*    U  16           HO2*       U  16  -6.713   3.474   0.201
  169    H1*    U  16           H1*        U  16  -4.177   5.637   0.891
  170    H3     U  16           H3         U  16  -0.319   4.636  -1.272
  171    H5     U  16           H5         U  16   0.062   2.694   2.448
  172    H6     U  16           H6         U  16  -2.233   3.308   2.932
  173   1H5*    A  17          1H5*        A  17  -8.434   1.606   0.668
  174   2H5*    A  17          2H5*        A  17  -8.742   0.044  -0.115
  175    H4*    A  17           H4*        A  17  -8.100   2.233  -1.522
  176    H3*    A  17           H3*        A  17  -8.316  -0.397  -2.158
  177   1H2*    A  17           H2*        A  17  -6.168  -1.083  -1.488
  178   2HO*    A  17           HO2*       A  17  -5.869  -0.180  -4.186
  179    H1*    A  17           H1*        A  17  -4.860   1.320  -2.749
  180    H8     A  17           H8         A  17  -5.144  -0.771   0.511
  181   1H6     A  17          1H6         A  17   0.976  -0.216   0.875
  182   2H6     A  17          2H6         A  17  -0.447  -0.912   1.617
  183    H2     A  17           H2         A  17  -0.419   2.079  -2.726
  184   1H5*    A  18          1H5*        A  18  -9.705   0.586  -7.098
  185   2H5*    A  18          2H5*        A  18  -9.316  -1.135  -7.302
  186    H4*    A  18           H4*        A  18  -8.324   0.117  -9.137
  187    H3*    A  18           H3*        A  18  -6.399  -0.878  -7.012
  188   1H2*    A  18           H2*        A  18  -4.596  -0.064  -8.276
  189   2HO*    A  18           HO2*       A  18  -6.451   0.297 -10.424
  190    H1*    A  18           H1*        A  18  -5.786   2.296  -9.066
  191    H8     A  18           H8         A  18  -6.589   1.752  -5.451
  192   1H6     A  18          1H6         A  18  -0.964   3.829  -4.063
  193   2H6     A  18          2H6         A  18  -2.531   3.388  -3.420
  194    H2     A  18           H2         A  18  -1.156   3.193  -8.508
  195   1H5*    G  19          1H5*        G  19  -4.942  -2.043 -10.616
  196   2H5*    G  19          2H5*        G  19  -4.028  -3.574 -10.656
  197    H4*    G  19           H4*        G  19  -2.810  -1.379 -11.297
  198    H3*    G  19           H3*        G  19  -1.848  -3.306  -9.160
  199   1H2*    G  19           H2*        G  19   0.074  -2.001  -8.837
  200   2HO*    G  19           HO2*       G  19  -0.626  -0.529 -11.187
  201    H1*    G  19           H1*        G  19  -1.158   0.465  -9.045
  202    H8     G  19           H8         G  19  -3.507  -1.249  -6.873
  203    H1     G  19           H1         G  19   2.087  -0.588  -3.891
  204   1H2     G  19          1H2         G  19   3.665  -0.033  -5.351
  205   2H2     G  19          2H2         G  19   3.334   0.174  -7.057
  206   1H5*    U  20          1H5*        U  20   1.558  -3.143 -10.861
  207   2H5*    U  20          2H5*        U  20   2.247  -4.743 -11.210
  208    H4*    U  20           H4*        U  20   3.691  -3.537  -9.638
  209    H3*    U  20           H3*        U  20   2.105  -5.886  -8.556
  210   1H2*    U  20           H2*        U  20   3.135  -5.630  -6.463
  211   2HO*    U  20           HO2*       U  20   4.997  -4.378  -6.169
  212    H1*    U  20           H1*        U  20   3.116  -2.865  -6.413
  213    H3     U  20           H3         U  20   0.270  -4.138  -3.115
  214    H5     U  20           H5         U  20  -1.852  -4.942  -6.667
  215    H6     U  20           H6         U  20   0.151  -4.384  -7.915
  216   1H5*    C  21          1H5*        C  21   5.700  -6.972  -7.069
  217   2H5*    C  21          2H5*        C  21   6.078  -8.637  -7.560
  218    H4*    C  21           H4*        C  21   6.121  -8.452  -5.115
  219    H3*    C  21           H3*        C  21   3.827  -9.992  -6.366
  220   1H2*    C  21           H2*        C  21   3.024 -10.549  -4.234
  221   2HO*    C  21           HO2*       C  21   5.505  -9.581  -3.185
  222    H1*    C  21           H1*        C  21   3.521  -8.107  -3.038
  223   1H4     C  21          1H4         C  21  -2.246  -7.784  -6.294
  224   2H4     C  21          2H4         C  21  -2.652  -8.154  -4.633
  225    H5     C  21           H5         C  21   0.018  -7.657  -7.103
  226    H6     C  21           H6         C  21   2.382  -7.852  -6.495
  227   1H5*    C  22          1H5*        C  22   5.481 -12.397  -3.295
  228   2H5*    C  22          2H5*        C  22   5.810 -14.032  -3.904
  229    H4*    C  22           H4*        C  22   4.542 -14.068  -1.766
  230    H3*    C  22           H3*        C  22   3.222 -15.071  -4.307
  231   1H2*    C  22           H2*        C  22   1.322 -15.700  -3.082
  232   2HO*    C  22           HO2*       C  22   2.850 -15.262  -0.703
  233    H1*    C  22           H1*        C  22   1.267 -13.510  -1.394
  234   1H4     C  22          1H4         C  22  -1.667 -11.898  -7.124
  235   2H4     C  22          2H4         C  22  -2.959 -12.312  -6.019
  236    H5     C  22           H5         C  22   0.666 -12.114  -6.567
  237    H6     C  22           H6         C  22   2.266 -12.771  -4.833
  238   1H5*    C  23          1H5*        C  23   2.511 -17.990  -1.206
  239   2H5*    C  23          2H5*        C  23   3.258 -19.491  -1.790
  240    H4*    C  23           H4*        C  23   1.091 -20.052  -0.890
  241    H3*    C  23           H3*        C  23   1.254 -20.009  -3.918
  242   1H2*    C  23           H2*        C  23  -0.975 -20.728  -4.051
  243   2HO*    C  23           HO2*       C  23  -0.850 -22.378  -2.463
  244    H1*    C  23           H1*        C  23  -1.949 -19.206  -1.960
  245   1H4     C  23          1H4         C  23  -1.761 -15.564  -7.507
  246   2H4     C  23          2H4         C  23  -3.437 -15.994  -7.247
  247    H5     C  23           H5         C  23   0.036 -16.354  -6.108
  248    H6     C  23           H6         C  23   0.613 -17.722  -4.160
  249    H3T    C  23           H3T        C  23   1.275 -22.348  -3.567
   
   
  No H/Q in entry =         249