*HEADER    RNA                                     24-JUL-02   1M82              
*TITLE     SOLUTION STRUCTURE OF THE COMPLEMENTARY RNA PROMOTER OF               
*TITLE    2 INFLUENZA A VIRUS                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA (25-MER): THE COMPLEMENTARY RNA PROMOTER OF            
*COMPND   3 INFLUENZA A VIRUS;                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: CONSERVED INTERNAL LOOP OF THE                        
*COMPND   7 COMPLEMENTARY RNA PROMOTER OF THE INFLUENZA A VIRUS                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN                     
*SOURCE   4 COMPLEMENTARY RNA OF THE INFLUENZA A VIRUS GENOME SEGMENTS.          
*KEYWDS    ASYMMETRIC INTERNAL LOOP, A-FORM HELIX                                
*EXPDTA    NMR, 31 STRUCTURES                                                    
*AUTHOR    C.-J.PARK, S.-H.BAE, M.-K.LEE, G.VARANI, B.-S.CHOI                    
*REVDAT   1   03-JUN-03 1M82    0                                                

!  set echo=off message=off end !syntex error
!i ==================== intra-residue NOEs ====================
!i H8/H6 - H1' ( 24 )
 assign (resid   1 and name H1'  ) (resid   1 and name H8   ) 4.0 4.0 0.0
 assign (resid   2 and name H1'  ) (resid   2 and name H8   ) 4.0 4.0 0.0
 assign (resid   3 and name H1'  ) (resid   3 and name H8   ) 4.0 4.0 0.0
 assign (resid   4 and name H1'  ) (resid   4 and name H8   ) 4.0 4.0 0.0
 assign (resid   5 and name H1'  ) (resid   5 and name H8   ) 4.0 4.0 0.0
 assign (resid   6 and name H1'  ) (resid   6 and name H6   ) 4.0 4.0 0.0
 assign (resid   7 and name H1'  ) (resid   7 and name H8   ) 4.0 4.0 0.0
 assign (resid   8 and name H1'  ) (resid   8 and name H8   ) 4.0 4.0 0.0
 assign (resid   9 and name H1'  ) (resid   9 and name H8   ) 4.0 4.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H6   ) 4.0 4.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H6   ) 4.0 4.0 0.0
 assign (resid  12 and name H1'  ) (resid  12 and name H6   ) 4.0 4.0 0.0
 assign (resid  13 and name H1'  ) (resid  13 and name H6   ) 4.0 4.0 0.0
 assign (resid  14 and name H1'  ) (resid  14 and name H8   ) 3.0 3.0 0.0 
 assign (resid  15 and name H1'  ) (resid  15 and name H8   ) 4.0 4.0 0.0
 assign (resid  16 and name H1'  ) (resid  16 and name H6   ) 4.0 4.0 0.0
 assign (resid  17 and name H1'  ) (resid  17 and name H6   ) 4.0 4.0 0.0
 assign (resid  18 and name H1'  ) (resid  18 and name H6   ) 4.0 4.0 0.0
 assign (resid  19 and name H1'  ) (resid  19 and name H6   ) 4.0 4.0 0.0
 assign (resid  20 and name H1'  ) (resid  20 and name H8   ) 4.0 4.0 0.0
 assign (resid  21 and name H1'  ) (resid  21 and name H6   ) 4.0 4.0 0.0
 assign (resid  23 and name H1'  ) (resid  23 and name H6   ) 4.0 4.0 0.0
 assign (resid  24 and name H1'  ) (resid  24 and name H6   ) 4.0 4.0 0.0
 assign (resid  25 and name H1'  ) (resid  25 and name H6   ) 4.0 4.0 0.0
!i H8/H6 - H2' ( 21 )
 assign (resid   1 and name H2'  ) (resid   1 and name H8   ) 4.0 4.0 0.0
 assign (resid   2 and name H2'  ) (resid   2 and name H8   ) 5.0 5.0 0.0 
 assign (resid   5 and name H2'  ) (resid   5 and name H8   ) 5.0 5.0 0.0
 assign (resid   6 and name H2'  ) (resid   6 and name H6   ) 4.0 4.0 0.0 
 assign (resid   7 and name H2'  ) (resid   7 and name H8   ) 5.0 5.0 0.0
 assign (resid   8 and name H2'  ) (resid   8 and name H8   ) 4.0 4.0 0.0
 assign (resid   9 and name H2'  ) (resid   9 and name H8   ) 5.0 5.0 0.0 
 assign (resid  10 and name H2'  ) (resid  10 and name H6   ) 4.0 4.0 0.0
 assign (resid  11 and name H2'  ) (resid  11 and name H6   ) 5.0 5.0 0.0
 assign (resid  12 and name H2'  ) (resid  12 and name H6   ) 3.0 3.0 0.0
 assign (resid  13 and name H2'  ) (resid  13 and name H6   ) 3.0 3.0 0.0
 assign (resid  14 and name H2'  ) (resid  14 and name H8   ) 5.0 5.0 0.0
 assign (resid  15 and name H2'  ) (resid  15 and name H8   ) 4.0 4.0 0.0
 assign (resid  17 and name H2'  ) (resid  17 and name H6   ) 4.0 4.0 0.0
 assign (resid  18 and name H2'  ) (resid  18 and name H6   ) 3.0 3.0 0.0
 assign (resid  19 and name H2'  ) (resid  19 and name H6   ) 4.0 4.0 0.0 
 assign (resid  20 and name H2'  ) (resid  20 and name H8   ) 5.0 5.0 0.0
 assign (resid  21 and name H2'  ) (resid  21 and name H6   ) 4.0 4.0 0.0
 assign (resid  23 and name H2'  ) (resid  23 and name H6   ) 6.0 6.0 0.0 
 assign (resid  24 and name H2'  ) (resid  24 and name H6   ) 4.0 4.0 0.0
 assign (resid  25 and name H2'  ) (resid  25 and name H6   ) 4.0 4.0 0.0
!i H8/H6 - H3' ( 19 )
 assign (resid   1 and name H3'  ) (resid   1 and name H8   ) 4.0 4.0 0.0 
 assign (resid   3 and name H3'  ) (resid   3 and name H8   ) 3.0 3.0 0.0
 assign (resid   5 and name H3'  ) (resid   5 and name H8   ) 3.0 3.0 0.0
 assign (resid   6 and name H3'  ) (resid   6 and name H6   ) 4.0 4.0 0.0 
 assign (resid   7 and name H3'  ) (resid   7 and name H8   ) 4.0 4.0 0.0 
 assign (resid  10 and name H3'  ) (resid  10 and name H6   ) 3.0 3.0 0.0
 assign (resid  11 and name H3'  ) (resid  11 and name H6   ) 4.0 4.0 0.0 
 assign (resid  12 and name H3'  ) (resid  12 and name H6   ) 5.0 5.0 0.0 
!assign (resid 13 and name H3' ) (resid 13 and name H6  ) 5.0 5.0 0.0 
 assign (resid  14 and name H3'  ) (resid  14 and name H8   ) 6.0 6.0 0.0
 assign (resid  15 and name H3'  ) (resid  15 and name H8   ) 4.0 4.0 0.0
 assign (resid  16 and name H3'  ) (resid  16 and name H6   ) 3.0 3.0 0.0
 assign (resid  17 and name H3'  ) (resid  17 and name H6   ) 3.0 3.0 0.0
 assign (resid  18 and name H3'  ) (resid  18 and name H6   ) 4.0 4.0 0.0
 assign (resid  19 and name H3'  ) (resid  19 and name H6   ) 3.0 3.0 0.0
 assign (resid  20 and name H3'  ) (resid  20 and name H8   ) 3.0 3.0 0.0
 assign (resid  21 and name H3'  ) (resid  21 and name H6   ) 3.0 3.0 0.0
 assign (resid  24 and name H3'  ) (resid  24 and name H6   ) 4.0 4.0 0.0 
 assign (resid  25 and name H3'  ) (resid  25 and name H6   ) 3.0 3.0 0.0
!i H8/H6 - H4' ( 14 )
 assign (resid   1 and name H4'  ) (resid   1 and name H8   ) 5.0 5.0 0.0
 assign (resid   5 and name H4'  ) (resid   5 and name H8   ) 6.0 6.0 0.0
 assign (resid   6 and name H4'  ) (resid   6 and name H6   ) 5.0 5.0 0.0
 assign (resid   8 and name H4'  ) (resid   8 and name H8   ) 4.0 4.0 0.0
 assign (resid  10 and name H4'  ) (resid  10 and name H6   ) 4.0 4.0 0.0
 assign (resid  11 and name H4'  ) (resid  11 and name H6   ) 5.0 5.0 0.0
 assign (resid  12 and name H4'  ) (resid  12 and name H6   ) 6.0 6.0 0.0 
 assign (resid  13 and name H4'  ) (resid  13 and name H6   ) 5.0 5.0 0.0
 assign (resid  14 and name H4'  ) (resid  14 and name H8   ) 6.0 6.0 0.0
 assign (resid  15 and name H4'  ) (resid  15 and name H8   ) 4.0 4.0 0.0
 assign (resid  16 and name H4'  ) (resid  16 and name H6   ) 5.0 5.0 0.0
 assign (resid  18 and name H4'  ) (resid  18 and name H6   ) 5.0 5.0 0.0
 assign (resid  19 and name H4'  ) (resid  19 and name H6   ) 5.0 5.0 0.0
 assign (resid  24 and name H4'  ) (resid  24 and name H6   ) 4.0 4.0 0.0
!i H8/H6 - H5' ( 30 )
 assign (resid   1 and name H5'' ) (resid   1 and name H8   ) 4.0 4.0 0.0 
 assign (resid   1 and name H5'  ) (resid   1 and name H8   ) 4.0 4.0 0.0
 assign (resid   2 and name H5'' ) (resid   2 and name H8   ) 5.0 5.0 0.0 
 assign (resid   3 and name H5'' ) (resid   3 and name H8   ) 5.0 5.0 0.0
 assign (resid   4 and name H5'' ) (resid   4 and name H8   ) 4.0 4.0 0.0
 assign (resid   5 and name H5'' ) (resid   5 and name H8   ) 5.0 5.0 0.0 
 assign (resid   5 and name H5'  ) (resid   5 and name H8   ) 6.0 6.0 0.0
 assign (resid   7 and name H5'  ) (resid   7 and name H8   ) 7.0 7.0 0.0 
 assign (resid   7 and name H5'' ) (resid   7 and name H8   ) 6.0 6.0 0.0  
 assign (resid   8 and name H5'' ) (resid   8 and name H8   ) 6.0 6.0 0.0
 assign (resid   8 and name H5'  ) (resid   8 and name H8   ) 7.0 7.0 0.0 
 assign (resid   9 and name H5'' ) (resid   9 and name H8   ) 5.0 5.0 0.0 
 assign (resid  10 and name H5'' ) (resid  10 and name H6   ) 4.0 4.0 0.0
 assign (resid  11 and name H5'' ) (resid  11 and name H6   ) 5.0 5.0 0.0
 assign (resid  11 and name H5'  ) (resid  11 and name H6   ) 5.0 5.0 0.0
 assign (resid  12 and name H5'  ) (resid  12 and name H6   ) 5.0 5.0 0.0
 assign (resid  12 and name H5'' ) (resid  12 and name H6   ) 5.0 5.0 0.0 
 assign (resid  13 and name H5'' ) (resid  13 and name H6   ) 7.0 7.0 0.0 
 assign (resid  13 and name H5'  ) (resid  13 and name H6   ) 7.0 7.0 0.0
 assign (resid  15 and name H5'' ) (resid  15 and name H8   ) 6.0 6.0 0.0
 assign (resid  15 and name H5'  ) (resid  15 and name H8   ) 6.0 6.0 0.0
 assign (resid  16 and name H5'' ) (resid  16 and name H6   ) 5.0 5.0 0.0
 assign (resid  18 and name H5'' ) (resid  18 and name H6   ) 6.0 6.0 0.0
 assign (resid  18 and name H5'  ) (resid  18 and name H6   ) 6.0 6.0 0.0
 assign (resid  19 and name H5'' ) (resid  19 and name H6   ) 6.0 6.0 0.0 
 assign (resid  19 and name H5'  ) (resid  19 and name H6   ) 6.0 6.0 0.0
 assign (resid  20 and name H5'' ) (resid  20 and name H8   ) 5.0 5.0 0.0
 assign (resid  20 and name H5'  ) (resid  20 and name H8   ) 5.0 5.0 0.0
 assign (resid  23 and name H5'' ) (resid  23 and name H6   ) 6.0 6.0 0.0
 assign (resid  24 and name H5'' ) (resid  24 and name H6   ) 5.0 5.0 0.0
 assign (resid  25 and name H5'' ) (resid  25 and name H6   ) 6.0 6.0 0.0
!i H1' - H2' ( 25 )
 assign (resid   1 and name H1'  ) (resid   1 and name H2'  ) 3.0 3.0 0.0
 assign (resid   2 and name H1'  ) (resid   2 and name H2'  ) 3.0 3.0 0.0
 assign (resid   3 and name H1'  ) (resid   3 and name H2'  ) 3.0 3.0 0.0
 assign (resid   4 and name H1'  ) (resid   4 and name H2'  ) 3.0 3.0 0.0
 assign (resid   5 and name H1'  ) (resid   5 and name H2'  ) 3.0 3.0 0.0
 assign (resid   6 and name H1'  ) (resid   6 and name H2'  ) 3.0 3.0 0.0
 assign (resid   7 and name H1'  ) (resid   7 and name H2'  ) 3.0 3.0 0.0
 assign (resid   8 and name H1'  ) (resid   8 and name H2'  ) 3.0 3.0 0.0
 assign (resid   9 and name H1'  ) (resid   9 and name H2'  ) 3.0 3.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H2'  ) 3.0 3.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H2'  ) 3.0 3.0 0.0
 assign (resid  12 and name H1'  ) (resid  12 and name H2'  ) 3.0 3.0 0.0
 assign (resid  13 and name H1'  ) (resid  13 and name H2'  ) 3.0 3.0 0.0
 assign (resid  14 and name H1'  ) (resid  14 and name H2'  ) 3.0 3.0 0.0
 assign (resid  15 and name H1'  ) (resid  15 and name H2'  ) 5.0 5.0 0.0 
 assign (resid  16 and name H1'  ) (resid  16 and name H2'  ) 3.0 3.0 0.0
 assign (resid  17 and name H1'  ) (resid  17 and name H2'  ) 3.0 3.0 0.0
 assign (resid  18 and name H1'  ) (resid  18 and name H2'  ) 3.0 3.0 0.0
 assign (resid  19 and name H1'  ) (resid  19 and name H2'  ) 3.0 3.0 0.0
 assign (resid  20 and name H1'  ) (resid  20 and name H2'  ) 3.0 3.0 0.0
 assign (resid  21 and name H1'  ) (resid  21 and name H2'  ) 3.0 3.0 0.0
 assign (resid  22 and name H1'  ) (resid  22 and name H2'  ) 3.0 3.0 0.0
 assign (resid  23 and name H1'  ) (resid  23 and name H2'  ) 3.0 3.0 0.0
 assign (resid  24 and name H1'  ) (resid  24 and name H2'  ) 3.0 3.0 0.0
 assign (resid  25 and name H1'  ) (resid  25 and name H2'  ) 3.0 3.0 0.0
!i H1' - H3' ( 19 )
 assign (resid   1 and name H1'  ) (resid   1 and name H3'  ) 4.0 4.0 0.0
 assign (resid   3 and name H1'  ) (resid   3 and name H3'  ) 4.0 4.0 0.0 
 assign (resid   5 and name H1'  ) (resid   5 and name H3'  ) 4.0 4.0 0.0
 assign (resid   6 and name H1'  ) (resid   6 and name H3'  ) 4.0 4.0 0.0
 assign (resid   8 and name H1'  ) (resid   8 and name H3'  ) 4.0 4.0 0.0
 assign (resid   9 and name H1'  ) (resid   9 and name H3'  ) 4.0 4.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H3'  ) 4.0 4.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H3'  ) 4.0 4.0 0.0
 assign (resid  12 and name H1'  ) (resid  12 and name H3'  ) 4.0 4.0 0.0
 assign (resid  13 and name H1'  ) (resid  13 and name H3'  ) 4.0 4.0 0.0
 assign (resid  14 and name H1'  ) (resid  14 and name H3'  ) 4.0 4.0 0.0
 assign (resid  15 and name H1'  ) (resid  15 and name H3'  ) 5.0 5.0 0.0
 assign (resid  17 and name H1'  ) (resid  17 and name H3'  ) 4.0 4.0 0.0
 assign (resid  18 and name H1'  ) (resid  18 and name H3'  ) 5.0 5.0 0.0 
 assign (resid  19 and name H1'  ) (resid  19 and name H3'  ) 4.0 4.0 0.0
 assign (resid  20 and name H1'  ) (resid  20 and name H3'  ) 4.0 4.0 0.0
 assign (resid  21 and name H1'  ) (resid  21 and name H3'  ) 4.0 4.0 0.0
 assign (resid  22 and name H1'  ) (resid  22 and name H3'  ) 4.0 4.0 0.0
 assign (resid  24 and name H1'  ) (resid  24 and name H3'  ) 4.0 4.0 0.0
!i H1' - H4' ( 21 )
 assign (resid   1 and name H1'  ) (resid   1 and name H4'  ) 4.0 4.0 0.0
 assign (resid   3 and name H1'  ) (resid   3 and name H4'  ) 4.0 4.0 0.0 
 assign (resid   4 and name H1'  ) (resid   4 and name H4'  ) 4.0 4.0 0.0 
 assign (resid   5 and name H1'  ) (resid   5 and name H4'  ) 4.0 4.0 0.0
 assign (resid   6 and name H1'  ) (resid   6 and name H4'  ) 4.0 4.0 0.0
 assign (resid   7 and name H1'  ) (resid   7 and name H4'  ) 4.0 4.0 0.0
 assign (resid   8 and name H1'  ) (resid   8 and name H4'  ) 4.0 4.0 0.0
 assign (resid   9 and name H1'  ) (resid   9 and name H4'  ) 4.0 4.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H4'  ) 4.0 4.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H4'  ) 4.0 4.0 0.0
 assign (resid  12 and name H1'  ) (resid  12 and name H4'  ) 4.0 4.0 0.0 
 assign (resid  13 and name H1'  ) (resid  13 and name H4'  ) 4.0 4.0 0.0
 assign (resid  14 and name H1'  ) (resid  14 and name H4'  ) 4.0 4.0 0.0
 assign (resid  16 and name H1'  ) (resid  16 and name H4'  ) 4.0 4.0 0.0
 assign (resid  18 and name H1'  ) (resid  18 and name H4'  ) 4.0 4.0 0.0
 assign (resid  19 and name H1'  ) (resid  19 and name H4'  ) 4.0 4.0 0.0
 assign (resid  20 and name H1'  ) (resid  20 and name H4'  ) 4.0 4.0 0.0
 assign (resid  21 and name H1'  ) (resid  21 and name H4'  ) 4.0 4.0 0.0
 assign (resid  22 and name H1'  ) (resid  22 and name H4'  ) 4.0 4.0 0.0
 assign (resid  23 and name H1'  ) (resid  23 and name H4'  ) 4.0 4.0 0.0
 assign (resid  24 and name H1'  ) (resid  24 and name H4'  ) 4.0 4.0 0.0
!i H1' - H5' ( 34 )
 assign (resid   1 and name H1'  ) (resid   1 and name H5'  ) 6.0 6.0 0.0
 assign (resid   1 and name H1'  ) (resid   1 and name H5'' ) 6.0 6.0 0.0
 assign (resid   2 and name H1'  ) (resid   2 and name H5'' ) 6.0 6.0 0.0
 assign (resid   3 and name H1'  ) (resid   3 and name H5'' ) 6.0 6.0 0.0 
 assign (resid   4 and name H1'  ) (resid   4 and name H5'' ) 6.0 6.0 0.0
 assign (resid   5 and name H1'  ) (resid   5 and name H5'  ) 6.0 6.0 0.0 
 assign (resid   5 and name H1'  ) (resid   5 and name H5'' ) 6.0 6.0 0.0 
 assign (resid   6 and name H1'  ) (resid   6 and name H5'' ) 6.0 6.0 0.0
 assign (resid   7 and name H1'  ) (resid   7 and name H5'  ) 6.0 6.0 0.0 
 assign (resid   7 and name H1'  ) (resid   7 and name H5'' ) 7.0 7.0 0.0 
 assign (resid   8 and name H1'  ) (resid   8 and name H5'  ) 7.0 7.0 0.0
 assign (resid   8 and name H1'  ) (resid   8 and name H5'' ) 6.0 6.0 0.0
 assign (resid   9 and name H1'  ) (resid   9 and name H5'' ) 6.0 6.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H5'' ) 6.0 6.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H5'  ) 6.0 6.0 0.0
 assign (resid  11 and name H1'  ) (resid  11 and name H5'' ) 6.0 6.0 0.0
 assign (resid  12 and name H1'  ) (resid  12 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  12 and name H1'  ) (resid  12 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  13 and name H1'  ) (resid  13 and name H5'  ) 7.0 7.0 0.0
 assign (resid  13 and name H1'  ) (resid  13 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  14 and name H1'  ) (resid  14 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  14 and name H1'  ) (resid  14 and name H5'' ) 7.0 7.0 0.0 
!assign (resid 15 and name H1' ) (resid 15 and name H5' ) 6.0 6.0 0.7 
!assign (resid 15 and name H1' ) (resid 15 and name H5' ) 6.0 6.0 0.7  
 assign (resid  16 and name H1'  ) (resid  16 and name H5'' ) 6.0 6.0 0.0
 assign (resid  17 and name H1'  ) (resid  17 and name H5'' ) 6.0 6.0 0.0
 assign (resid  19 and name H1'  ) (resid  19 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  19 and name H1'  ) (resid  19 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  20 and name H1'  ) (resid  20 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  20 and name H1'  ) (resid  20 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  21 and name H1'  ) (resid  21 and name H5'  ) 6.0 6.0 0.0
 assign (resid  21 and name H1'  ) (resid  21 and name H5'' ) 6.0 6.0 0.0 
 assign (resid  22 and name H1'  ) (resid  22 and name H5'' ) 6.0 6.0 0.0
 assign (resid  24 and name H1'  ) (resid  24 and name H5'' ) 6.0 6.0 0.0
 assign (resid  25 and name H1'  ) (resid  25 and name H5'' ) 6.0 6.0 0.0
!i others ( 33 )
 assign (resid   3 and name H1'  ) (resid   3 and name H2   ) 6.0 6.0 0.0 
 assign (resid   4 and name H1'  ) (resid   4 and name H2   ) 6.0 6.0 0.0
 assign (resid   6 and name H1'  ) (resid   6 and name H5   ) 6.0 6.0 0.0
 assign (resid   6 and name H2'  ) (resid   6 and name H5   ) 6.0 6.0 0.0
 assign (resid   6 and name H3'  ) (resid   6 and name H5   ) 5.0 5.0 0.0
 assign (resid   7 and name H1'  ) (resid   7 and name H2   ) 6.0 6.0 0.0
 assign (resid   7 and name H2   ) (resid   7 and name H2'  ) 6.0 6.0 0.0
 assign (resid  10 and name H1'  ) (resid  10 and name H5   ) 6.0 6.0 0.0
 assign (resid  10 and name H2'  ) (resid  10 and name H5   ) 6.0 6.0 0.0
 assign (resid  10 and name H3'  ) (resid  10 and name H5   ) 5.0 5.0 0.0
 assign (resid  11 and name H2'  ) (resid  11 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  11 and name H3'  ) (resid  11 and name H5   ) 6.0 6.0 0.0 
 assign (resid  12 and name H1'  ) (resid  12 and name H5   ) 6.0 6.0 0.0
 assign (resid  12 and name H2'  ) (resid  12 and name H5   ) 5.0 5.0 0.0
 assign (resid  13 and name H1'  ) (resid  13 and name H5   ) 6.0 6.0 0.0
 assign (resid  13 and name H2'  ) (resid  13 and name H5   ) 5.0 5.0 0.0
!assign (resid 13 and name H3' ) (resid 13 and name H5  ) 5.0 5.0 0.0 ! or is it u12 h4'?
 assign (resid  16 and name H1'  ) (resid  16 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  16 and name H3'  ) (resid  16 and name H5   ) 6.0 6.0 0.0
 assign (resid  18 and name H2'  ) (resid  18 and name H5   ) 5.0 5.0 0.0 
 assign (resid  18 and name H3'  ) (resid  18 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  19 and name H5   ) (resid  19 and name H5'' ) 6.0 6.0 0.0 
 assign (resid  19 and name H2'  ) (resid  19 and name H5   ) 6.0 6.0 0.0 
 assign (resid  19 and name H3'  ) (resid  19 and name H5   ) 6.0 6.0 0.0 
 assign (resid  19 and name H5   ) (resid  19 and name H5'  ) 6.0 6.0 0.0
 assign (resid  21 and name H5   ) (resid  21 and name H5'' ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  21 and name H1'  ) (resid  21 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  21 and name H2'  ) (resid  21 and name H5   ) 6.0 6.0 0.0
 assign (resid  21 and name H3'  ) (resid  21 and name H5   ) 6.0 6.0 0.0
 assign (resid  21 and name H5   ) (resid  21 and name H5'  ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  25 and name H1'  ) (resid  25 and name H5   ) 6.0 6.0 0.0
 assign (resid  25 and name H2'  ) (resid  25 and name H5   ) 6.0 6.0 0.0
 assign (resid  25 and name H3'  ) (resid  25 and name H5   ) 5.0 5.0 0.0 
!s ==================== sequential NOEs ====================
!s H8/H6 - H1' ( 25 )
 assign (resid   1 and name H1'  ) (resid   2 and name H8   ) 5.0 5.0 0.0 
 assign (resid   2 and name H1'  ) (resid   3 and name H8   ) 5.0 5.0 0.0
 assign (resid   3 and name H1'  ) (resid   4 and name H8   ) 5.0 5.0 0.0
 assign (resid   3 and name H2   ) (resid   4 and name H1'  ) 5.0 5.0 0.0 
 assign (resid   4 and name H1'  ) (resid   5 and name H8   ) 6.0 6.0 0.0 
 assign (resid   4 and name H2   ) (resid   5 and name H1'  ) 4.0 4.0 0.0
 assign (resid   5 and name H1'  ) (resid   6 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid   5 and name H1'  ) (resid   6 and name H6   ) 6.0 6.0 0.0
 assign (resid   6 and name H1'  ) (resid   7 and name H8   ) 5.0 5.0 0.0
 assign (resid   7 and name H1'  ) (resid   8 and name H8   ) 5.0 5.0 0.0
 assign (resid   7 and name H2   ) (resid   8 and name H1'  ) 5.0 5.0 0.0 
 assign (resid   8 and name H1'  ) (resid   9 and name H8   ) 5.0 5.0 0.0
 assign (resid   9 and name H1'  ) (resid  10 and name H6   ) 5.0 5.0 0.0
 assign (resid  10 and name H1'  ) (resid  11 and name H6   ) 5.0 5.0 0.0
!assign (resid 10 and name H1' ) (resid 11 and name H5  ) 6.0 6.0 0.0 ! 
 assign (resid  11 and name H1'  ) (resid  12 and name H6   ) 6.0 6.0 0.0
 assign (resid  12 and name H1'  ) (resid  13 and name H6   ) 6.0 6.0 0.0 !  very weak even at 300 ms
 assign (resid  16 and name H1'  ) (resid  17 and name H6   ) 5.0 5.0 0.0
 assign (resid  17 and name H1'  ) (resid  18 and name H6   ) 5.0 5.0 0.0
 assign (resid  18 and name H1'  ) (resid  19 and name H6   ) 7.0 7.0 0.0 !  very weak even at 300 ms, added on 28 Dec
 assign (resid  19 and name H1'  ) (resid  20 and name H8   ) 5.0 5.0 0.0
 assign (resid  20 and name H1'  ) (resid  21 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  20 and name H1'  ) (resid  21 and name H6   ) 5.0 5.0 0.0
 assign (resid  21 and name H1'  ) (resid  22 and name H6   ) 5.0 5.0 0.0
 assign (resid  24 and name H1'  ) (resid  25 and name H6   ) 5.0 5.0 0.0
!s H8/H6 - H2' ( 35 )
 assign (resid   1 and name H2'  ) (resid   2 and name H8   ) 3.0 3.0 0.0
 assign (resid   2 and name H2'  ) (resid   3 and name H8   ) 3.0 3.0 0.0
 assign (resid   3 and name H2'  ) (resid   4 and name H8   ) 3.0 3.0 0.0
 assign (resid   4 and name H2'  ) (resid   5 and name H8   ) 5.0 5.0 0.0 
 assign (resid   5 and name H2'  ) (resid   6 and name H5   ) 4.0 4.0 0.0
 assign (resid   5 and name H2'  ) (resid   6 and name H6   ) 3.0 3.0 0.0
 assign (resid   6 and name H2'  ) (resid   7 and name H8   ) 3.0 3.0 0.0 
 assign (resid   7 and name H2   ) (resid   8 and name H2'  ) 6.0 6.0 0.0
 assign (resid   7 and name H2'  ) (resid   8 and name H8   ) 4.0 4.0 0.0 
 assign (resid   8 and name H2'  ) (resid   9 and name H8   ) 3.0 3.0 0.0
 assign (resid   9 and name H2'  ) (resid  10 and name H5   ) 4.0 4.0 0.0 
 assign (resid   9 and name H2'  ) (resid  10 and name H6   ) 3.0 3.0 0.0
 assign (resid  10 and name H2'  ) (resid  11 and name H6   ) 4.0 4.0 0.0 
 assign (resid  10 and name H2'  ) (resid  11 and name H5   ) 5.0 5.0 0.0 
 assign (resid  11 and name H2'  ) (resid  12 and name H6   ) 6.0 6.0 0.0
!assign (resid 11 and name H2' ) (resid 12 and name H5  ) 6.0 6.0 0.0 ! very weak or absent even at 300 ms
 assign (resid  12 and name H2'  ) (resid  13 and name H5   ) 6.0 6.0 0.0
 assign (resid  12 and name H2'  ) (resid  13 and name H6   ) 6.0 6.0 0.0
!assign (resid 13 and name H2' ) (resid 14 and name H8  ) 6.0 6.0 0.0 ! invisible even at 300 ms
 assign (resid  14 and name H2'  ) (resid  15 and name H8   ) 6.0 6.0 0.0
 assign (resid  15 and name H2'  ) (resid  16 and name H5   ) 4.0 4.0 0.0 
 assign (resid  15 and name H2'  ) (resid  16 and name H6   ) 3.0 3.0 0.0
 assign (resid  16 and name H2'  ) (resid  17 and name H5   ) 5.0 5.0 0.0
 assign (resid  16 and name H2'  ) (resid  17 and name H6   ) 3.0 3.0 0.0
 assign (resid  17 and name H2'  ) (resid  18 and name H5   ) 4.0 4.0 0.0
 assign (resid  17 and name H2'  ) (resid  18 and name H6   ) 3.0 3.0 0.0
 assign (resid  18 and name H2'  ) (resid  19 and name H6   ) 4.0 4.0 0.0
 assign (resid  18 and name H2'  ) (resid  19 and name H5   ) 6.0 6.0 0.0 
 assign (resid  19 and name H2'  ) (resid  20 and name H8   ) 3.0 3.0 0.0
 assign (resid  20 and name H2'  ) (resid  21 and name H5   ) 5.0 5.0 0.0
 assign (resid  20 and name H2'  ) (resid  21 and name H6   ) 3.0 3.0 0.0
 assign (resid  21 and name H2'  ) (resid  22 and name H6   ) 3.0 3.0 0.0
 assign (resid  23 and name H2'  ) (resid  24 and name H6   ) 3.0 3.0 0.0
 assign (resid  24 and name H2'  ) (resid  25 and name H5   ) 4.0 4.0 0.0
 assign (resid  24 and name H2'  ) (resid  25 and name H6   ) 3.0 3.0 0.0
!s H8/H6 - H3' ( 28 )
 assign (resid   1 and name H3'  ) (resid   2 and name H8   ) 4.0 4.0 0.0
 assign (resid   2 and name H3'  ) (resid   3 and name H8   ) 3.0 3.0 0.0
 assign (resid   3 and name H3'  ) (resid   4 and name H8   ) 3.0 3.0 0.0 
 assign (resid   5 and name H3'  ) (resid   6 and name H5   ) 4.0 4.0 0.0
 assign (resid   5 and name H3'  ) (resid   6 and name H6   ) 4.0 4.0 0.0 
 assign (resid   6 and name H3'  ) (resid   7 and name H8   ) 5.0 5.0 0.0
 assign (resid   7 and name H3'  ) (resid   8 and name H8   ) 5.0 5.0 0.0 
 assign (resid   9 and name H3'  ) (resid  10 and name H5   ) 5.0 5.0 0.0 
 assign (resid   9 and name H3'  ) (resid  10 and name H6   ) 4.0 4.0 0.0 
 assign (resid  10 and name H3'  ) (resid  11 and name H5   ) 4.0 4.0 0.0
 assign (resid  10 and name H3'  ) (resid  11 and name H6   ) 3.0 3.0 0.0
 assign (resid  11 and name H3'  ) (resid  12 and name H5   ) 5.0 5.0 0.0 
 assign (resid  12 and name H3'  ) (resid  13 and name H5   ) 3.0 3.0 0.0
 assign (resid  12 and name H3'  ) (resid  13 and name H6   ) 3.0 3.0 0.0
 assign (resid  14 and name H3'  ) (resid  15 and name H8   ) 4.0 4.0 0.0
 assign (resid  15 and name H3'  ) (resid  16 and name H5   ) 4.0 4.0 0.0
 assign (resid  15 and name H3'  ) (resid  16 and name H6   ) 4.0 4.0 0.0
 assign (resid  16 and name H3'  ) (resid  17 and name H5   ) 5.0 5.0 0.0
 assign (resid  16 and name H3'  ) (resid  17 and name H6   ) 4.0 4.0 0.0
 assign (resid  17 and name H3'  ) (resid  18 and name H5   ) 6.0 6.0 0.0 
 assign (resid  17 and name H3'  ) (resid  18 and name H6   ) 4.0 4.0 0.0
 assign (resid  18 and name H3'  ) (resid  19 and name H6   ) 6.0 6.0 0.0 
 assign (resid  18 and name H3'  ) (resid  19 and name H5   ) 7.0 7.0 0.0 !  absent or very weak at 300 ms
 assign (resid  19 and name H3'  ) (resid  20 and name H8   ) 3.0 3.0 0.0
 assign (resid  20 and name H3'  ) (resid  21 and name H5   ) 4.0 4.0 0.0
 assign (resid  20 and name H3'  ) (resid  21 and name H6   ) 3.0 3.0 0.0
 assign (resid  24 and name H3'  ) (resid  25 and name H5   ) 4.0 4.0 0.0
 assign (resid  24 and name H3'  ) (resid  25 and name H6   ) 4.0 4.0 0.0
!s H8/H6 - H4' ( 7 )
 assign (resid   6 and name H4'  ) (resid   7 and name H8   ) 6.0 6.0 0.0
 assign (resid  10 and name H4'  ) (resid  11 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  11 and name H4'  ) (resid  12 and name H5   ) 4.0 4.0 0.0
 assign (resid  11 and name H4'  ) (resid  12 and name H6   ) 5.0 5.0 0.0
 assign (resid  12 and name H4'  ) (resid  13 and name H6   ) 6.0 6.0 0.0
!assign (resid 12 and name H4' ) (resid 13 and name H5  ) 5.0 5.0 0.0 ! or is it c13 h3'?
 assign (resid  19 and name H4'  ) (resid  20 and name H8   ) 6.0 6.0 0.0
!s H8/H6 - H5' ( 16 )
!assign (resid  5 and name H5'') (resid  6 and name H6  ) 6.0 6.0 0.0 ! or weaker, only at 300 
!assign (resid  5 and name H5' ) (resid  6 and name H6  ) 6.0 6.0 0.0 ! or weaker, only at 300 ms
 assign (resid   6 and name H5'' ) (resid   7 and name H8   ) 7.0 7.0 0.0 !  very weak even at 300 ms
 assign (resid   6 and name H5'  ) (resid   7 and name H8   ) 7.0 7.0 0.0 !  very weak even at 300 ms
 assign (resid  11 and name H5'' ) (resid  12 and name H5   ) 7.0 7.0 0.0 !  only at 300 ms
 assign (resid  11 and name H5'  ) (resid  12 and name H5   ) 7.0 7.0 0.0 !  only at 300 ms
 assign (resid  12 and name H5'' ) (resid  13 and name H5   ) 6.0 6.0 0.0 
 assign (resid  12 and name H5'' ) (resid  13 and name H5   ) 6.0 6.0 0.0 
 assign (resid  12 and name H5'' ) (resid  13 and name H6   ) 6.0 6.0 0.0 
 assign (resid  12 and name H5'  ) (resid  13 and name H5   ) 6.0 6.0 0.0
 assign (resid  12 and name H5'  ) (resid  13 and name H5   ) 6.0 6.0 0.0 
 assign (resid  12 and name H5'  ) (resid  13 and name H6   ) 6.0 6.0 0.0 
 assign (resid  13 and name H5'' ) (resid  14 and name H8   ) 7.0 7.0 0.0 
 assign (resid  13 and name H5'  ) (resid  14 and name H8   ) 7.0 7.0 0.0
 assign (resid  20 and name H5'' ) (resid  21 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms spin diff?
 assign (resid  20 and name H5'  ) (resid  21 and name H5   ) 6.0 6.0 0.0 !  only at 300 ms spin diff?
!s H1' - H2' ( 10 )
 assign (resid   1 and name H2'  ) (resid   2 and name H1'  ) 6.0 6.0 0.0
 assign (resid   2 and name H2'  ) (resid   3 and name H1'  ) 5.0 5.0 0.0
 assign (resid   5 and name H2'  ) (resid   6 and name H1'  ) 6.0 6.0 0.0
 assign (resid   6 and name H2'  ) (resid   7 and name H1'  ) 6.0 6.0 0.0 
!assign (resid 11 and name H1' ) (resid 10 and name H2' ) 5.0 5.0 0.0
!assign (resid 11 and name H2' ) (resid 12 and name H1' ) 6.0 6.0 0.0 ! very weak or absent even at 300 ms
!assign (resid 15 and name H1' ) (resid 14 and name H2' ) 6.0 6.0 0.0
 assign (resid  17 and name H2'  ) (resid  18 and name H1'  ) 6.0 6.0 0.0
 assign (resid  20 and name H2'  ) (resid  21 and name H1'  ) 5.0 5.0 0.0
 assign (resid  24 and name H2'  ) (resid  25 and name H1'  ) 5.0 5.0 0.0 
!s H1' - others ( 14 )
!assign (resid  4 and name H1' ) (resid  5 and name H1' ) 6.0 6.0 0.0 ! very weak at 300 ms
!assign (resid  6 and name H1' ) (resid  7 and name H1' ) 6.0 6.0 0.0 ! is it 7-8 instead?
 assign (resid   8 and name H1'  ) (resid   9 and name H1'  ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid   9 and name H1'  ) (resid  10 and name H1'  ) 6.0 6.0 0.0 !  only at 300 ms 
 assign (resid  10 and name H1'  ) (resid  11 and name H1'  ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  11 and name H1'  ) (resid  12 and name H3'  ) 7.0 7.0 0.0
 assign (resid  13 and name H5'' ) (resid  14 and name H1'  ) 7.0 7.0 0.0 
 assign (resid  13 and name H5'  ) (resid  14 and name H1'  ) 7.0 7.0 0.0
 assign (resid  13 and name H1'  ) (resid  14 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  13 and name H1'  ) (resid  14 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  14 and name H1'  ) (resid  15 and name H3'  ) 7.0 7.0 0.0 
 assign (resid  14 and name H3'  ) (resid  15 and name H1'  ) 6.0 6.0 0.0 
 assign (resid  17 and name H1'  ) (resid  18 and name H3'  ) 7.0 7.0 0.0
 assign (resid  20 and name H1'  ) (resid  21 and name H1'  ) 6.0 6.0 0.0
!s base - base ( 34 )
 assign (resid   1 and name H8   ) (resid   2 and name H8   ) 6.0 6.0 0.0
 assign (resid   2 and name H8   ) (resid   3 and name H8   ) 6.0 6.0 0.0
 assign (resid   3 and name H2   ) (resid   4 and name H2   ) 6.0 6.0 0.0
 assign (resid   3 and name H2   ) (resid   4 and name H8   ) 6.0 6.0 0.0
 assign (resid   4 and name H2   ) (resid   5 and name H8   ) 6.0 6.0 0.0
 assign (resid   4 and name H8   ) (resid   5 and name H8   ) 6.0 6.0 0.0 
 assign (resid   5 and name H8   ) (resid   6 and name H5   ) 5.0 5.0 0.0
 assign (resid   5 and name H8   ) (resid   6 and name H6   ) 6.0 6.0 0.0
 assign (resid   6 and name H6   ) (resid   7 and name H8   ) 6.0 6.0 0.0
 assign (resid   7 and name H8   ) (resid   8 and name H8   ) 6.0 6.0 0.0
 assign (resid   8 and name H8   ) (resid   9 and name H8   ) 6.0 6.0 0.0
 assign (resid   9 and name H8   ) (resid  10 and name H5   ) 6.0 6.0 0.0
 assign (resid   9 and name H8   ) (resid  10 and name H6   ) 6.0 6.0 0.0
 assign (resid  10 and name H5   ) (resid  11 and name H5   ) 4.0 4.0 0.0
 assign (resid  10 and name H6   ) (resid  11 and name H5   ) 6.0 6.0 0.0
 assign (resid  10 and name H6   ) (resid  11 and name H6   ) 6.0 6.0 0.0
!assign (resid 11 and name H6  ) (resid 12 and name H5  ) 6.0 6.0 0.0 ! very weak even at 300 ms
 assign (resid  12 and name H6   ) (resid  13 and name H5   ) 6.0 6.0 0.0
 assign (resid  12 and name H6   ) (resid  13 and name H6   ) 6.0 6.0 0.0
 assign (resid  15 and name H8   ) (resid  16 and name H5   ) 6.0 6.0 0.0
 assign (resid  15 and name H8   ) (resid  16 and name H6   ) 6.0 6.0 0.0
 assign (resid  16 and name H5   ) (resid  17 and name H5   ) 5.0 5.0 0.0
 assign (resid  16 and name H6   ) (resid  17 and name H5   ) 6.0 6.0 0.0
 assign (resid  17 and name H6   ) (resid  18 and name H6   ) 6.0 6.0 0.0 
 assign (resid  18 and name H6   ) (resid  19 and name H5   ) 7.0 7.0 0.0 
 assign (resid  20 and name H8   ) (resid  21 and name H5   ) 6.0 6.0 0.0 
 assign (resid  20 and name H8   ) (resid  21 and name H6   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  21 and name H5   ) (resid  22 and name H5   ) 5.0 5.0 0.0
 assign (resid  21 and name H6   ) (resid  22 and name H5   ) 6.0 6.0 0.0 
 assign (resid  21 and name H6   ) (resid  22 and name H6   ) 6.0 6.0 0.0 !  only at 300 ms
 assign (resid  23 and name H6   ) (resid  24 and name H6   ) 6.0 6.0 0.0
 assign (resid  24 and name H5   ) (resid  25 and name H5   ) 5.0 5.0 0.0
 assign (resid  24 and name H6   ) (resid  25 and name H5   ) 6.0 6.0 0.0
 assign (resid  24 and name H6   ) (resid  25 and name H6   ) 6.0 6.0 0.0
!s sequential others ( 24 )
 assign (resid  10 and name H2'  ) (resid  11 and name H5'' ) 7.0 7.0 0.0
 assign (resid  10 and name H2'  ) (resid  11 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  11 and name H2'  ) (resid  12 and name H3'  ) 4.0 4.0 0.0
 !assign (resid  11 and name H2'  ) (resid  12 and name H2'  ) 5.0 5.0 0.0 
 assign (resid  11 and name H4'  ) (resid  12 and name H2'  ) 6.0 6.0 0.0
 assign (resid  12 and name H3'  ) (resid  13 and name H5'  ) 6.0 6.0 0.0 
 assign (resid  12 and name H3'  ) (resid  13 and name H5'' ) 6.0 6.0 0.0
 assign (resid  13 and name H5'' ) (resid  14 and name H4'  ) 7.0 7.0 0.0 
 assign (resid  12 and name H2'  ) (resid  13 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  12 and name H2'  ) (resid  13 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  13 and name H4'  ) (resid  14 and name H3'  ) 6.0 6.0 0.0
 assign (resid  13 and name H4'  ) (resid  14 and name H4'  ) 5.0 5.0 0.0 
 assign (resid  13 and name H4'  ) (resid  14 and name H5'  ) 5.0 5.0 0.0 
 assign (resid  13 and name H4'  ) (resid  14 and name H5'' ) 5.0 5.0 0.0 
 assign (resid  13 and name H5'  ) (resid  14 and name H4'  ) 7.0 7.0 0.0
 assign (resid  13 and name H5'  ) (resid  14 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  13 and name H5'' ) (resid  14 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  13 and name H5'  ) (resid  14 and name H5'  ) 7.0 7.0 0.0
 assign (resid  13 and name H5'' ) (resid  14 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  14 and name H3'  ) (resid  15 and name H5'  ) 7.0 7.0 0.0 
 assign (resid  14 and name H3'  ) (resid  15 and name H5'' ) 7.0 7.0 0.0
 assign (resid  14 and name H2'  ) (resid  15 and name H5'' ) 7.0 7.0 0.0 
 assign (resid  14 and name H2'  ) (resid  15 and name H3'  ) 6.0 6.0 0.0 
 assign (resid  14 and name H2'  ) (resid  15 and name H4'  ) 4.0 4.0 0.0 
 assign (resid  14 and name H2'  ) (resid  15 and name H5'  ) 7.0 7.0 0.0 
!l ==================== long-range NOEs ====================
 assign (resid   3 and name H2   ) (resid  24 and name H1'  ) 4.0 4.0 0.0
 assign (resid   4 and name H2   ) (resid  23 and name H1'  ) 4.0 4.0 0.0
 assign (resid   7 and name H2   ) (resid  19 and name H2'  ) 7.0 7.0 0.0 !  peak is there but very weak
 assign (resid   7 and name H2   ) (resid  20 and name H1'  ) 4.0 4.0 0.0
 assign (resid   7 and name H2   ) (resid  20 and name H8   ) 6.0 6.0 0.0
 assign (resid   7 and name H2   ) (resid  20 and name H2'  ) 7.0 7.0 0.0 !  peak is there but very weak
 assign (resid  11 and name H1'  ) (resid  13 and name H5   ) 6.0 6.0 0.0
 assign (resid  11 and name H2'  ) (resid  13 and name H5   ) 4.0 4.0 0.0 
!assign (resid  11 and name H2'  ) (resid  13 and name H6   ) 5.0 5.0 0.0 
 assign (resid  11 and name H3'  ) (resid  13 and name H5   ) 5.0 5.0 0.0
 assign (resid  11 and name H6   ) (resid  13 and name H5   ) 7.0 7.0 0.0 
!assign (resid 11 and name H1' ) (resid 13 and name H6  ) 6.0 6.0 0.0 ! very weak or absent
!assign (resid 12 and name H2' ) (resid 14 and name H1' ) 6.0 6.0 0.0 ! invisible even at 300 ms
!assign (resid 12 and name H2' ) (resid 14 and name H8  ) 6.0 6.0 0.0 ! invisible even at 300 ms
!assign (resid 12 and name H6  ) (resid 14 and name H1' ) 6.0 6.0 0.0 ! invisible even at 300 ms
!assign (resid 16 and name H6  ) (resid 18 and name H5  ) 6.0 6.0 0.0 !what is it? clear at 310
!------ NOE RESTRAINTS SUMMARY
!------ Intra-residue :   240
!------ Sequential    :   193
!------ Long-range    :    16
!------ Total         :   449
! Adding restraints by 3D identification.
 assign (resid  21 and name H2'  ) (resid  22 and name H5   ) 4.0 4.0 0.0 
 assign (resid  22 and name H3'  ) (resid  22 and name H5   ) 5.0 5.0 0.0 
 assign (resid  22 and name H3'  ) (resid  22 and name H6   ) 4.0 4.0 0.0
 assign (resid  23 and name H2'  ) (resid  24 and name H1'  ) 4.0 4.0 0.0 
 assign (resid  22 and name H2'  ) (resid  23 and name H6   ) 3.0 3.0 0.0
 assign (resid  20 and name H4'  ) (resid  20 and name H8   ) 4.0 4.0 0.0 

-------------------------------------------------------------------------------------------
!Planarity Restraints
!G1-C25
group
selection=(
  ( name O6 and resid 1)
  or (( name H42 or name N4) and resid 25)
  or( (name H1 or name N1) and resid 1)
  or ( name N3 and resid 25)
    or( (name H22 or name N2) and resid 1)
  or ( name O2 and resid 25)
   )
weight=$pscale
end

!G2-C24
group
selection=(
  ( name O6 and resid 2)
  or (( name H42 or name N4) and resid 24)
  or( (name H1 or name N1) and resid 2)
  or ( name N3 and resid 24)
    or( (name H22 or name N2) and resid 2)
  or ( name O2 and resid 24)
   )
weight=$pscale
end

!A3-U23
group
selection=(
  ( name N1 and resid 3)
  or (( name H3 or name N3) and resid 23)
    or((name H62 or name N6) and resid 3) ! 61->62
  or (name O4 and resid 23)
   )
weight=$pscale
end

!A4-U22
group
selection=(
  ( name N1 and resid 4)
  or (( name H3 or name N3) and resid 22)
    or((name H62 or name N6) and resid 4) !61->62
  or (name O4 and resid 22)
   )
weight=$pscale
end

!G5-U21
group
selection=(
                ( name O6 and resid 5)
                or (( name H3 or name N3) and resid 21)
                or( (name H1 or name N1) and resid 5)
                or (name O2 and resid 21)
          )
weight=$pscale
end

!C6-G20
group
selection=(
  ( name O6 and resid 20)
  or (( name H42 or name N4) and resid 6)
  or( (name H1 or name N1) and resid 20)
  or ( name N3 and resid 6)
    or( (name H22 or name N2) and resid 20)
  or ( name O2 and resid 6)
   )
weight=$pscale
end

!G8-C17
group
selection=(
  ( name O6 and resid 8)
  or (( name H42 or name N4) and resid 17)
  or( (name H1 or name N1) and resid 8)
  or ( name N3 and resid 17)
    or( (name H22 or name N2) and resid 8)
  or ( name O2 and resid 17)
   )
weight=$pscale
end

!G9-C16
group
selection=(
  ( name O6 and resid 9)
  or (( name H42 or name N4) and resid 16)
  or( (name H1 or name N1) and resid 9)
  or ( name N3 and resid 16)
    or( (name H22 or name N2) and resid 9)
  or ( name O2 and resid 16)
   )
weight=$pscale
end

!C10-G15
group
selection=(
  ( name O6 and resid 15)
  or (( name H42 or name N4) and resid 10)
  or( (name H1 or name N1) and resid 15)
  or ( name N3 and resid 10)
    or( (name H22 or name N2) and resid 15)
  or ( name O2 and resid 10)
   )
weight=$pscale
end

-------------------------------------------------------------------------------------------------

! Hydrogen bonding restraints
!G1-C25 - from observation of amino resonances
assign (resid 1 and name H22)  (resid 25 and name O2)    2.00 0.10 0.20
assign (resid 1 and name H1)   (resid 25 and name N3)    2.00 0.20 0.10
assign (resid 1 and name O6)   (resid 25 and name H42)   2.00 0.20 0.10
assign (resid 1 and name N1)   (resid 25 and name N3)    2.90 0.15 0.15
assign (resid 1 and name N2)   (resid 25 and name O2)    2.95 0.20 0.10
assign (resid 1 and name O6)   (resid 25 and name N4)    2.95 0.20 0.10

!G2-C24
assign (resid 2 and name H22)  (resid 24 and name O2)    2.00 0.10 0.20
assign (resid 2 and name H1)   (resid 24 and name N3)    2.00 0.20 0.10
assign (resid 2 and name O6)   (resid 24 and name H42)   2.00 0.20 0.10
assign (resid 2 and name N1)   (resid 24 and name N3)    2.90 0.15 0.15
assign (resid 2 and name N2)   (resid 24 and name O2)    2.95 0.20 0.10
assign (resid 2 and name O6)   (resid 24 and name N4)    2.95 0.20 0.10

!A3-U23
assign (resid 23 and name H3)   (resid 3  and name N1)   2.00 0.10 0.20 
assign (resid 23 and name O4)   (resid 3  and name H62)  2.00 0.20 0.10 
assign (resid 23 and name N3)   (resid 3  and name N1)   2.90 0.15 0.15
assign (resid 23 and name O4)   (resid 3  and name N6)   2.95 0.15 0.15

!A4-U22
assign (resid 22 and name H3)   (resid 4 and name N1)    2.00 0.10 0.20
assign (resid 22 and name O4)   (resid 4 and name H62)   2.00 0.20 0.10
assign (resid 22 and name N3)   (resid 4 and name N1)    2.90 0.15 0.15
assign (resid 22 and name O4)   (resid 4 and name N6)    2.95 0.15 0.15

!G5-U21 - wobble geometry
assign (resid 21 and name H3)   (resid 5 and name O6)    2.00 0.20 0.10
assign (resid 21 and name O2)   (resid 5 and name H1)    2.00 0.20 0.10
assign (resid 21 and name N3)   (resid 5 and name O6)    2.90 0.15 0.15
assign (resid 21 and name O2)   (resid 5 and name N1)    2.95 0.20 0.10

!C6-G20
assign (resid 20 and name H22)  (resid 6 and name O2)    2.00 0.10 0.20
assign (resid 20 and name H1)   (resid 6 and name N3)    2.00 0.20 0.10
assign (resid 20 and name O6)   (resid 6 and name H42)   2.00 0.20 0.10
assign (resid 20 and name N1)   (resid 6 and name N3)    2.90 0.15 0.15
assign (resid 20 and name N2)   (resid 6 and name O2)    2.95 0.20 0.10
assign (resid 20 and name O6)   (resid 6 and name N4)    2.95 0.20 0.10

!G8-C17
assign (resid 8 and name H22)  (resid 17 and name O2)    2.00 0.10 0.20
assign (resid 8 and name H1)   (resid 17 and name N3)    2.00 0.20 0.10
assign (resid 8 and name O6)   (resid 17 and name H42)   2.00 0.20 0.10
assign (resid 8 and name N1)   (resid 17 and name N3)    2.90 0.15 0.15
assign (resid 8 and name N2)   (resid 17 and name O2)    2.95 0.20 0.10
assign (resid 8 and name O6)   (resid 17 and name N4)    2.95 0.20 0.10

!G9-C16
assign (resid 9 and name H22)  (resid 16 and name O2)    2.00 0.10 0.20
assign (resid 9 and name H1)   (resid 16 and name N3)    2.00 0.20 0.10
assign (resid 9 and name O6)   (resid 16 and name H42)   2.00 0.20 0.10
assign (resid 9 and name N1)   (resid 16 and name N3)    2.90 0.15 0.15
assign (resid 9 and name N2)   (resid 16 and name O2)    2.95 0.20 0.10
assign (resid 9 and name O6)   (resid 16 and name N4)    2.95 0.20 0.10

!C10-G15
assign (resid 15 and name H22) (resid 10 and name O2)    2.00 0.10 0.20
assign (resid 15 and name H1)  (resid 10 and name N3)    2.00 0.20 0.10
assign (resid 15 and name O6)  (resid 10 and name H42)   2.00 0.20 0.10
assign (resid 15 and name N1)  (resid 10 and name N3)    2.90 0.15 0.15
assign (resid 15 and name N2)  (resid 10 and name O2)    2.95 0.20 0.10
assign (resid 15 and name O6)  (resid 10 and name N4)    2.95 0.20 0.10

!exchangeable proton NOE
assign (resid 2 and name H1)   (resid 24 and name H42)   3.0 3.0 0.0
assign (resid 2 and name H1)   (resid 24 and name H41)   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 24 and name H5 )   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 24 and name H6 )   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 25 and name H5 )   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 25 and name H42 )  6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 3  and name H2 )   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 3  and name H62)   6.0 6.0 0.0
assign (resid 2 and name H1)   (resid 3  and name H61)   6.0 6.0 0.0
 
assign (resid 24 and name H42) (resid 3 and name H62)    6.0 6.0 0.0
assign (resid 24 and name H42) (resid 3 and name H61)    6.0 6.0 0.0
assign (resid 24 and name H42) (resid 25 and name H5)    6.0 6.0 0.0

assign (resid 23 and name H3)  (resid 3  and name H2)    3.0 3.0 0.0
assign (resid 23 and name H3)  (resid 3  and name H62)   3.0 3.0 0.0 ! exist
assign (resid 23 and name H3)  (resid 3  and name H61)   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 2  and name H1)    6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 24 and name H41)   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 24 and name H42)   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 24 and name H1')   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 4  and name H2)    6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 4  and name H62)   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 4  and name H61)   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 4  and name H1')   6.0 6.0 0.0
assign (resid 23 and name H3)  (resid 23 and name H1')   6.0 6.0 0.0

assign (resid 22 and name H3)  (resid 4  and name H2  )  3.0 3.0 0.0
assign (resid 22 and name H3)  (resid 4  and name H62 )  3.0 3.0 0.0
assign (resid 22 and name H3)  (resid 4  and name H61 )  6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 23 and name H3)    6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 23 and name H1')   6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 3  and name H62)   6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 3  and name H2)    6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 21 and name H3)    6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 5  and name H1)    6.0 6.0 0.0
assign (resid 22 and name H3)  (resid 5  and name H22)   6.0 6.0 0.72
assign (resid 22 and name H3)  (resid 5  and name H21)   6.0 6.0 0.72
assign (resid 22 and name H3)  (resid 5  and name H1')   6.0 6.0 0.0

assign (resid 21 and name H3)  (resid 5 and name H1)     3.0 3.0 0.0
assign (resid 21 and name H3)  (resid 5 and name H22)    6.0 6.0 0.72
assign (resid 21 and name H3)  (resid 5 and name H21)    6.0 6.0 0.72 ! inserted
assign (resid 21 and name H3)  (resid 6 and name H41)    6.0 6.0 0.0
assign (resid 21 and name H3)  (resid 6 and name H42)    6.0 6.0 0.0
assign (resid 5 and name H1)   (resid 6 and name H41)    6.0 6.0 0.0
assign (resid 5 and name H1)   (resid 6 and name H42)    6.0 6.0 0.0
assign (resid 5 and name H1)   (resid 6 and name H1')    6.0 6.0 0.0

assign (resid 5 and name H22)  (resid 6 and name H41)    6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 6 and name H41)    6.0 6.0 0.72
assign (resid 5 and name H22)  (resid 6 and name H42)    6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 6 and name H42)    6.0 6.0 0.72
assign (resid 5 and name H22)  (resid 6 and name H1')    6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 6 and name H1')    6.0 6.0 0.72
assign (resid 5 and name H22)  (resid 6 and name H6)     6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 6 and name H6)     6.0 6.0 0.72
assign (resid 5 and name H22)  (resid 4 and name H2)     6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 4 and name H2)     6.0 6.0 0.72
assign (resid 5 and name H22)  (resid 22 and name H1')   6.0 6.0 0.72
assign (resid 5 and name H21)  (resid 22 and name H1')   6.0 6.0 0.72

assign (resid 20 and name H1)  (resid 6  and name H42)   3.0 3.0 0.0
assign (resid 20 and name H1)  (resid 6  and name H41)   6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 6  and name H5 )   6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 21 and name H3)    6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 21 and name H1')   6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 5  and name H1)    6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 7  and name H1')   6.0 6.0 0.0
assign (resid 20 and name H1)  (resid 7  and name H2)    6.0 6.0 0.0

assign (resid 6 and name H42)  (resid 7  and name H2)    6.0 6.0 0.0 ! maybe?

assign (resid 8 and name H1)   (resid 17 and name H42)   3.0 3.0 0.0
assign (resid 8 and name H1)   (resid 17 and name H41)   6.0 6.0 0.0
assign (resid 8 and name H1)   (resid 17 and name H5)    6.0 6.0 0.0
assign (resid 8 and name H1)   (resid 17 and name H6)    6.0 6.0 0.0
assign (resid 8 and name H1)   (resid 9  and name H1)    6.0 6.0 0.0
assign (resid 8 and name H1)   (resid 9  and name H1')   6.0 6.0 0.0

assign (resid 17 and name H42) (resid 16 and name H42)   6.0 6.0 0.0
assign (resid 17 and name H42) (resid 16 and name H5)    6.0 6.0 0.0

assign (resid 9 and name H1)   (resid 16 and name H42)   3.0 3.0 0.0
assign (resid 9 and name H1)   (resid 16 and name H41)   6.0 6.0 0.0
assign (resid 9 and name H1)   (resid 16 and name H5)    6.0 6.0 0.0
assign (resid 9 and name H1)   (resid 15 and name H21)   6.0 6.0 0.0
assign (resid 9 and name H1)   (resid 10 and name H1')   6.0 6.0 0.0
assign (resid 9 and name H1)   (resid 17 and name H1')   6.0 6.0 0.0
assign (resid 9 and name H1)   (resid 17 and name H6)    6.0 6.0 0.0 

assign (resid 16 and name H42) (resid 15 and name H21)   6.0 6.0 0.0
assign (resid 16 and name H42) (resid 15 and name H22)   6.0 6.0 0.0
assign (resid 16 and name H42) (resid 17 and name H5)    6.0 6.0 0.0

assign (resid 15 and name H1)  (resid 9  and name H1)    6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 10 and name H42)   3.0 3.0 0.0
assign (resid 15 and name H1)  (resid 10 and name H41)   6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 10 and name H5)    6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 11 and name H1')   6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 14 and name H1)    6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 16 and name H42)   6.0 6.0 0.0
assign (resid 15 and name H1)  (resid 16 and name H1')   6.0 6.0 0.0
!assign (resid 15 and name H1)   (resid 11 and name H6)  6.0 6.0 0.0 ! verify

assign (resid 10 and name H42) (resid 15 and name H21)   6.0 6.0 0.0
assign (resid 10 and name H42) (resid 15 and name H22)   6.0 6.0 0.0
assign (resid 10 and name H42) (resid 11 and name H5)    6.0 6.0 0.0

assign (resid 15 and name H21) (resid 11 and name H1')   6.0 6.0 0.0
assign (resid 15 and name H22) (resid 11 and name H1')   6.0 6.0 0.0
assign (resid 15 and name H22) (resid 11 and name HO2')  6.0 6.0 0.0
assign (resid 15 and name H21) (resid 16 and name H1')   6.0 6.0 0.0
assign (resid 15 and name H22) (resid 16 and name H1')   6.0 6.0 0.0
assign (resid 15 and name H22) (resid 10 and name H1')   6.0 6.0 0.0 
assign (resid 15 and name H22) (resid 10 and name H2')   6.0 6.0 0.0

assign (resid 11 and name H3)   (resid 10 and name H41)   6.0 6.0 0.0 
assign (resid 11 and name H3)   (resid 15 and name H8 )   6.0 6.0 0.0

assign (resid 11 and name HO2')  (resid 11 and name H6)    6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 11 and name H5)    7.0 7.0 0.0
assign (resid 11 and name HO2')  (resid 12 and name H2')   6.0 6.0 0.0
!assign (resid 11 and name HO2')  (resid 12 and name H3')   6.0 6.0 0.0 ! or 5'/5''?
assign (resid 11 and name HO2')  (resid 12 and name H6)    6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 12 and name H5)    6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 13 and name H41)   6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 13 and name H42)   6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 13 and name H5)    6.0 6.0 0.0
assign (resid 11 and name HO2')  (resid 13 and name H6)    6.0 6.0 0.0

assign (resid 13 and name H41)  (resid 11 and name H6)    6.0 6.0 0.0
assign (resid 13 and name H42) (resid 11 and name H6)     6.0 6.0 0.0
assign (resid 13 and name H41)  (resid 11 and name H5)    6.0 6.0 0.0
assign (resid 13 and name H42) (resid 11 and name H5)     6.0 6.0 0.0
!assign (resid 13 and name H41)  (resid 14 and name H1')   6.0 6.0 0.0 
!assign (resid 13 and name H42) (resid 14 and name H1')   6.0 6.0 0.0 
assign (resid 13 and name H41)  (resid 11 and name H2')   6.0 6.0 0.0
assign (resid 13 and name H42) (resid 11 and name H2')    6.0 6.0 0.0
assign (resid 13 and name H41)  (resid 11 and name H3')   6.0 6.0 0.0
assign (resid 13 and name H42) (resid 11 and name H3')    6.0 6.0 0.0
!assign (resid 13 and name H42) (resid 12 and name H5'*)  6.0 6.0 0.72

assign (resid 14 and name H1)   (resid 10 and name H41)   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 11 and name H1')   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 11 and name HO2')  6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 11 and name H2')   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 13 and name H1')   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 13 and name H6)    6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 13 and name H5)    6.0 6.0 0.0
!assign (resid 14 and name H1)   (resid 14 and name H1')   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 15 and name H1)    6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 15 and name H22)   6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 15 and name H8)    6.0 6.0 0.0
assign (resid 14 and name H1)   (resid 15 and name H1')   6.0 6.0 0.0 
assign (resid 14 and name H1)    (resid 11 and name H1') 6.0 6.0 0.0

-------------------------------------------------------------------------------------------
! Dihedral angle restraints
set echo=off message=off end
! g1 beta is unconstrained

! g1 gamma is unconstrained

! g1 delta
assign (resid 1 and name C5') (resid 1 and name C4')
       (resid 1 and name C3') (resid 1 and name O3')
       1 85 30 2

! g1 epsilon
assign (resid 1 and name C4') (resid 1 and name C3')
       (resid 1 and name O3') (resid 2 and name P  )
       1 -153 15 2

! g1 zeta
assign (resid 1 and name C3') (resid 1 and name O3')
       (resid 2 and name P  ) (resid 2 and name O5')
       1 -71 15 2

! g1 chi
assign (resid 1 and name O4') (resid 1 and name C1')
       (resid 1 and name N9 ) (resid 1 and name C4 )
       1 -158 15 2

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

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

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

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

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

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

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

! a3 alpha
assign (resid 2 and name O3') (resid 3 and name P  )
       (resid 3 and name O5') (resid 3 and name C5')
       1 -68 15 2

! a3 beta
assign (resid 3 and name P  ) (resid 3 and name O5')
       (resid 3 and name C5') (resid 3 and name C4')
       1 178 15 2

! a3 gamma
assign (resid 3 and name O5') (resid 3 and name C5')
       (resid 3 and name C4') (resid 3 and name C3')
       1 54 15 2

! a3 delta
assign (resid 3 and name C5') (resid 3 and name C4')
       (resid 3 and name C3') (resid 3 and name O3')
       1 85 15 2

! a3 epsilon
assign (resid 3 and name C4') (resid 3 and name C3')
       (resid 3 and name O3') (resid 4 and name P  )
       1 -153 15 2

! a3 zeta
assign (resid 3 and name C3') (resid 3 and name O3')
       (resid 4 and name P  ) (resid 4 and name O5')
       1 -71 15 2

! a3 chi
assign (resid 3 and name O4') (resid 3 and name C1')
       (resid 3 and name N9 ) (resid 3 and name C4 )
       1 -158 15 2

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

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

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

! a4 delta
assign (resid 4 and name C5') (resid 4 and name C4')
       (resid 4 and name C3') (resid 4 and name O3')
       1 85 15 2

! a4 epsilon is unconstrained

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

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

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

! g5 beta
assign (resid 5 and name P  ) (resid 5 and name O5')
       (resid 5 and name C5') (resid 5 and name C4')
       1 178 30 2

! g5 gamma is unconstrained

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

! g5 epsilon
assign (resid 5 and name C4') (resid 5 and name C3')
       (resid 5 and name O3') (resid 6 and name P  )
       1 240 50 2

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

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

! c6 alpha
assign (resid 5 and name O3') (resid 6 and name P  )
       (resid 6 and name O5') (resid 6 and name C5')
       1 -68 15 2

! c6 beta
assign (resid 6 and name P  ) (resid 6 and name O5')
       (resid 6 and name C5') (resid 6 and name C4')
       1 178 15 2

! c6 gamma
assign (resid 6 and name O5') (resid 6 and name C5')
       (resid 6 and name C4') (resid 6 and name C3')
       1 54 15 2

! c6 delta
assign (resid 6 and name C5') (resid 6 and name C4')
       (resid 6 and name C3') (resid 6 and name O3')
       1 85 15 2

! c6 epsilon
assign (resid 6 and name C4') (resid 6 and name C3')
       (resid 6 and name O3') (resid 7 and name P  )
       1 240 50 2

! c6 zeta is unconstrained

! c6 chi
assign (resid 6 and name O4') (resid 6 and name C1')
       (resid 6 and name N1 ) (resid 6 and name C2 )
       1 -158 15 2

! a7 alpha is unconstrained

! a7 beta
assign (resid 7 and name P  ) (resid 7 and name O5')
       (resid 7 and name C5') (resid 7 and name C4')
       1 178 30 2

! a7 gamma is unconstrained

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

! a7 epsilon
assign (resid 7 and name C4') (resid 7 and name C3')
       (resid 7 and name O3') (resid 8 and name P  )
       1 240 50 2

! a7 zeta is unconstrained

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

! g8 alpha is unconstrained

! g8 beta
assign (resid 8 and name P  ) (resid 8 and name O5')
       (resid 8 and name C5') (resid 8 and name C4')
       1 178 30 2

! g8 gamma is unconstrained

! g8 delta
assign (resid 8 and name C5') (resid 8 and name C4')
       (resid 8 and name C3') (resid 8 and name O3')
       1 85 15 2

! g8 epsilon
assign (resid 8 and name C4') (resid 8 and name C3')
       (resid 8 and name O3') (resid 9 and name P  )
       1 -153 15 2

! g8 zeta
assign (resid 8 and name C3') (resid 8 and name O3')
       (resid 9 and name P  ) (resid 9 and name O5')
       1 -71 15 2

! g8 chi
assign (resid 8 and name O4') (resid 8 and name C1')
       (resid 8 and name N9 ) (resid 8 and name C4 )
       1 -158 15 2

! g9 alpha
assign (resid 8 and name O3') (resid 9 and name P  )
       (resid 9 and name O5') (resid 9 and name C5')
       1 -68 15 2

! g9 beta
assign (resid 9 and name P  ) (resid 9 and name O5')
       (resid 9 and name C5') (resid 9 and name C4')
       1 178 15 2

! g9 gamma
assign (resid 9 and name O5') (resid 9 and name C5')
       (resid 9 and name C4') (resid 9 and name C3')
       1 54 15 2

! g9 delta
assign (resid 9 and name C5') (resid 9 and name C4')
       (resid 9 and name C3') (resid 9 and name O3')
       1 85 15 2

! g9 epsilon
assign (resid 9 and name C4') (resid 9 and name C3')
       (resid 9 and name O3') (resid 10 and name P  )
       1 -153 15 2

! g9 zeta
assign (resid 9 and name C3') (resid 9 and name O3')
       (resid 10 and name P  ) (resid 10 and name O5')
       1 -71 30 2

! g9 chi
assign (resid 9 and name O4') (resid 9 and name C1')
       (resid 9 and name N9 ) (resid 9 and name C4 )
       1 -158 15 2

! c10 alpha
assign (resid 9 and name O3') (resid 10 and name P  )
       (resid 10 and name O5') (resid 10 and name C5')
       1 -68 30 2

! c10 beta
assign (resid 10 and name P  ) (resid 10 and name O5')
       (resid 10 and name C5') (resid 10 and name C4')
       1 178 15 2

! c10 gamma
assign (resid 10 and name O5') (resid 10 and name C5')
       (resid 10 and name C4') (resid 10 and name C3')
       1 54 15 2

! c10 delta
assign (resid 10 and name C5') (resid 10 and name C4')
       (resid 10 and name C3') (resid 10 and name O3')
       1 85 15 2

! c10 epsilon
assign (resid 10 and name C4') (resid 10 and name C3')
       (resid 10 and name O3') (resid 11 and name P  )
       1 -153 30 2

! c10 zeta
assign (resid 10 and name C3') (resid 10 and name O3')
       (resid 11 and name P  ) (resid 11 and name O5')
       1 -71 30 2

! c10 chi
assign (resid 10 and name O4') (resid 10 and name C1')
       (resid 10 and name N1 ) (resid 10 and name C2 )
       1 -158 15 2

! u11 alpha
assign (resid 10 and name O3') (resid 11 and name P  )
       (resid 11 and name O5') (resid 11 and name C5')
       1 -68 30 2

! u11 beta
assign (resid 11 and name P  ) (resid 11 and name O5')
       (resid 11 and name C5') (resid 11 and name C4')
       1 178 30 2

! u11 gamma is unconstrained

! u11 delta
assign (resid 11 and name C5') (resid 11 and name C4')
       (resid 11 and name C3') (resid 11 and name O3')
       1 85 15 2

! u11 epsilon
assign (resid 11 and name C4') (resid 11 and name C3')
       (resid 11 and name O3') (resid 12 and name P  )
       1 -153 30 2

! u11 zeta
assign (resid 11 and name C3') (resid 11 and name O3')
       (resid 12 and name P  ) (resid 12 and name O5')
       1 -71 30 2

! u11 chi
assign (resid 11 and name O4') (resid 11 and name C1')
       (resid 11 and name N1 ) (resid 11 and name C2 )
       1 -158 15 2

! u12 alpha is unconstrained

! u12 beta
assign (resid 12 and name P  ) (resid 12 and name O5')
       (resid 12 and name C5') (resid 12 and name C4')
       1 178 30 2

! u12 gamma is unconstrained

! u12 delta
assign (resid 12 and name C5') (resid 12 and name C4')
       (resid 12 and name C3') (resid 12 and name O3')
       1 160 15 2

! u12 epsilon
assign (resid 12 and name C4') (resid 12 and name C3')
       (resid 12 and name O3') (resid 13 and name P  )
       1 -153 30 2

! u12 zeta
assign (resid 12 and name C3') (resid 12 and name O3')
       (resid 13 and name P  ) (resid 13 and name O5')
       1 -71 30 2

! u12 chi
assign (resid 12 and name O4') (resid 12 and name C1')
       (resid 12 and name N1 ) (resid 12 and name C2 )
       1 -158 15 2

! c13 alpha
assign (resid 12 and name O3') (resid 13 and name P  )
       (resid 13 and name O5') (resid 13 and name C5')
       1 -68 30 2

! c13 beta
assign (resid 13 and name P  ) (resid 13 and name O5')
       (resid 13 and name C5') (resid 13 and name C4')
       1 178 30 2

! c13 gamma is unconstrained

! c13 delta
assign (resid 13 and name C5') (resid 13 and name C4')
       (resid 13 and name C3') (resid 13 and name O3')
       1 160 15 2

! c13 epsilon
assign (resid 13 and name C4') (resid 13 and name C3')
       (resid 13 and name O3') (resid 14 and name P  )
       1 -153 30 2

! c13 zeta is unconstrained

! c13 chi
assign (resid 13 and name O4') (resid 13 and name C1')
       (resid 13 and name N1 ) (resid 13 and name C2 )
       1 -158 15 2

! g14 alpha
assign (resid 13 and name O3') (resid 14 and name P  )
       (resid 14 and name O5') (resid 14 and name C5')
       1 -68 30 2

! g14 beta is unconstrained

! g14 gamma is unconstrained

! g14 delta
assign (resid 14 and name C5') (resid 14 and name C4')
       (resid 14 and name C3') (resid 14 and name O3')
       1 85 15 2

! g14 epsilon
assign (resid 14 and name C4') (resid 14 and name C3')
       (resid 14 and name O3') (resid 15 and name P  )
       1 -153 30 2

! g14 zeta is unconstrained

! g14 chi is unconstrained

! g15 alpha is unconstrained

! g15 beta
assign (resid 15 and name P  ) (resid 15 and name O5')
       (resid 15 and name C5') (resid 15 and name C4')
       1 178 30 2

! g15 gamma is unconstrained

! g15 delta
assign (resid 15 and name C5') (resid 15 and name C4')
       (resid 15 and name C3') (resid 15 and name O3')
       1 85 15 2

! g15 epsilon
assign (resid 15 and name C4') (resid 15 and name C3')
       (resid 15 and name O3') (resid 16 and name P  )
       1 -153 30 2

! g15 zeta
assign (resid 15 and name C3') (resid 15 and name O3')
       (resid 16 and name P  ) (resid 16 and name O5')
       1 -71 15 2

! g15 chi
assign (resid 15 and name O4') (resid 15 and name C1')
       (resid 15 and name N9 ) (resid 15 and name C4 )
       1 -158 15 2

! c16 alpha
assign (resid 15 and name O3') (resid 16 and name P  )
       (resid 16 and name O5') (resid 16 and name C5')
       1 -68 15 2

! c16 beta
assign (resid 16 and name P  ) (resid 16 and name O5')
       (resid 16 and name C5') (resid 16 and name C4')
       1 178 15 2

! c16 gamma
assign (resid 16 and name O5') (resid 16 and name C5')
       (resid 16 and name C4') (resid 16 and name C3')
       1 54 15 2

! c16 delta
assign (resid 16 and name C5') (resid 16 and name C4')
       (resid 16 and name C3') (resid 16 and name O3')
       1 85 15 2

! c16 epsilon
assign (resid 16 and name C4') (resid 16 and name C3')
       (resid 16 and name O3') (resid 17 and name P  )
       1 -153 30 2

! c16 zeta
assign (resid 16 and name C3') (resid 16 and name O3')
       (resid 17 and name P  ) (resid 17 and name O5')
       1 -71 15 2

! c16 chi
assign (resid 16 and name O4') (resid 16 and name C1')
       (resid 16 and name N1 ) (resid 16 and name C2 )
       1 -158 15 2

! c17 alpha
assign (resid 16 and name O3') (resid 17 and name P  )
       (resid 17 and name O5') (resid 17 and name C5')
       1 -68 15 2

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

! c17 gamma
assign (resid 17 and name O5') (resid 17 and name C5')
       (resid 17 and name C4') (resid 17 and name C3')
       1 54 15 2

! c17 delta
assign (resid 17 and name C5') (resid 17 and name C4')
       (resid 17 and name C3') (resid 17 and name O3')
       1 85 20 2

! c17 epsilon is unconstrained

! c17 zeta
assign (resid 17 and name C3') (resid 17 and name O3')
       (resid 18 and name P  ) (resid 18 and name O5')
       1 -71 15 2

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

! u18 alpha
assign (resid 17 and name O3') (resid 18 and name P  )
       (resid 18 and name O5') (resid 18 and name C5')
       1 -68 15 2

! u18 beta
assign (resid 18 and name P  ) (resid 18 and name O5')
       (resid 18 and name C5') (resid 18 and name C4')
       1 178 30 2

! u18 gamma is unconstrained

! u18 delta
assign (resid 18 and name C5') (resid 18 and name C4')
       (resid 18 and name C3') (resid 18 and name O3')
       1 160 20 2

! u18 epsilon
assign (resid 18 and name C4') (resid 18 and name C3')
       (resid 18 and name O3') (resid 19 and name P  )
       1 240 50 2

! u18 zeta is unconstrained

! u18 chi is unconstrained (inserted on 19 April)
assign (resid 18 and name O4') (resid 18 and name C1')
       (resid 18 and name N1 ) (reisd 18 and name C2 )
       1 -158 15 2    

! u19 alpha is unconstrained

! u19 beta
assign (resid 19 and name P  ) (resid 19 and name O5')
       (resid 19 and name C5') (resid 19 and name C4')
       1 178 30 2

! u19 gamma is unconstrained

! u19 delta is unconstrained

! u19 epsilon
assign (resid 19 and name C4') (resid 19 and name C3')
       (resid 19 and name O3') (resid 20 and name P  )
       1 240 50 2

! u19 zeta is unconstrained

! u19 chi
assign (resid 19 and name O4') (resid 19 and name C1')
       (resid 19 and name N1 ) (resid 19 and name C2 )
       1 -158 15 2

! g20 alpha is unconstrained

! g20 beta
assign (resid 20 and name P  ) (resid 20 and name O5')
       (resid 20 and name C5') (resid 20 and name C4')
       1 178 30 2

! g20 gamma is unconstrained

! g20 delta
assign (resid 20 and name C5') (resid 20 and name C4')
       (resid 20 and name C3') (resid 20 and name O3')
       1 85 15 2

! g20 epsilon
assign (resid 20 and name C4') (resid 20 and name C3')
       (resid 20 and name O3') (resid 21 and name P  )
       1 240 50 2

! g20 zeta
assign (resid 20 and name C3') (resid 20 and name O3')
       (resid 21 and name P  ) (resid 21 and name O5')
       1 -71 15 2

! g20 chi
assign (resid 20 and name O4') (resid 20 and name C1')
       (resid 20 and name N9 ) (resid 20 and name C4 )
       1 -158 15 2

! u21 alpha
assign (resid 20 and name O3') (resid 21 and name P  )
       (resid 21 and name O5') (resid 21 and name C5')
       1 -68 15 2

! u21 beta
assign (resid 21 and name P  ) (resid 21 and name O5')
       (resid 21 and name C5') (resid 21 and name C4')
       1 178 30 2

! u21 gamma is unconstrained

! u21 delta
assign (resid 21 and name C5') (resid 21 and name C4')
       (resid 21 and name C3') (resid 21 and name O3')
       1 85 15 2

! u21 epsilon
assign (resid 21 and name C4') (resid 21 and name C3')
       (resid 21 and name O3') (resid 22 and name P  )
       1 -153 15 2

! u21 zeta
assign (resid 21 and name C3') (resid 21 and name O3')
       (resid 22 and name P  ) (resid 22 and name O5')
       1 -71 15 2

! u21 chi
assign (resid 21 and name O4') (resid 21 and name C1')
       (resid 21 and name N1 ) (resid 21 and name C2 )
       1 -158 15 2

! u22 alpha
assign (resid 21 and name O3') (resid 22 and name P  )
       (resid 22 and name O5') (resid 22 and name C5')
       1 -68 15 2

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

! u22 gamma
assign (resid 22 and name O5') (resid 22 and name C5')
       (resid 22 and name C4') (resid 22 and name C3')
       1 54 15 2

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

! u22 epsilon
assign (resid 22 and name C4') (resid 22 and name C3')
       (resid 22 and name O3') (resid 23 and name P  )
       1 -153 15 2

! u22 zeta
assign (resid 22 and name C3') (resid 22 and name O3')
       (resid 23 and name P  ) (resid 23 and name O5')
       1 -71 15 2

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

! u23 alpha
assign (resid 22 and name O3') (resid 23 and name P  )
       (resid 23 and name O5') (resid 23 and name C5')
       1 -68 15 2

! u23 beta
assign (resid 23 and name P  ) (resid 23 and name O5')
       (resid 23 and name C5') (resid 23 and name C4')
       1 178 15 2

! u23 gamma
assign (resid 23 and name O5') (resid 23 and name C5')
       (resid 23 and name C4') (resid 23 and name C3')
       1 54 15 2

! u23 delta
assign (resid 23 and name C5') (resid 23 and name C4')
       (resid 23 and name C3') (resid 23 and name O3')
       1 85 15 2

! u23 epsilon
assign (resid 23 and name C4') (resid 23 and name C3')
       (resid 23 and name O3') (resid 24 and name P  )
       1 -153 15 2

! u23 zeta
assign (resid 23 and name C3') (resid 23 and name O3')
       (resid 24 and name P  ) (resid 24 and name O5')
       1 -71 15 2

! u23 chi
assign (resid 23 and name O4') (resid 23 and name C1')
       (resid 23 and name N1 ) (resid 23 and name C2 )
       1 -158 15 2

! c24 alpha
assign (resid 23 and name O3') (resid 24 and name P  )
       (resid 24 and name O5') (resid 24 and name C5')
       1 -68 15 2

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

! c24 gamma
assign (resid 24 and name O5') (resid 24 and name C5')
       (resid 24 and name C4') (resid 24 and name C3')
       1 54 15 2

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

! c24 epsilon
assign (resid 24 and name C4') (resid 24 and name C3')
       (resid 24 and name O3') (resid 25 and name P  )
       1 -153 15 2

! c24 zeta
assign (resid 24 and name C3') (resid 24 and name O3')
       (resid 25 and name P  ) (resid 25 and name O5')
       1 -71 15 2

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

! c25 alpha
assign (resid 24 and name O3') (resid 25 and name P  )
       (resid 25 and name O5') (resid 25 and name C5')
       1 -68 15 2

! c25 beta
assign (resid 25 and name P  ) (resid 25 and name O5')
       (resid 25 and name C5') (resid 25 and name C4')
       1 178 15 2

! c25 gamma
assign (resid 25 and name O5') (resid 25 and name C5')
       (resid 25 and name C4') (resid 25 and name C3')
       1 54 15 2

! c25 delta
assign (resid 25 and name C5') (resid 25 and name C4')
       (resid 25 and name C3') (resid 25 and name O3')
       1 85 30 2

! c25 chi
assign (resid 25 and name O4') (resid 25 and name C1')
       (resid 25 and name N1 ) (resid 25 and name C2 )
       1 -158 15 2

set echo=on message=on end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5*         G   1   8.483   0.060  16.165
    2   2H5*    G   1          2H5*        G   1   6.901  -0.738  16.180
    3    H4*    G   1           H4*        G   1   9.603  -1.855  15.828
    4    H3*    G   1           H3*        G   1   6.888  -2.397  14.694
    5    H2*    G   1          1H2*        G   1   7.455  -4.712  14.366
    6   2HO*    G   1          2HO*        G   1   9.892  -3.769  14.155
    7    H1*    G   1           H1*        G   1   8.519  -5.121  16.873
    8    H8     G   1           H8         G   1   5.951  -2.574  17.539
    9    H1     G   1           H1         G   1   3.426  -8.364  16.452
   10   1H2     G   1          1H2         G   1   6.587  -9.173  15.294
   11   2H2     G   1          2H2         G   1   4.948  -9.708  15.594
   12    H5T    G   1           H5T        G   1   8.082  -1.649  18.288
   13   1H5*    G   2          H5*         G   2   9.551  -4.197  12.106
   14   2H5*    G   2          2H5*        G   2   9.315  -3.631  10.441
   15    H4*    G   2           H4*        G   2   9.393  -5.969  10.327
   16    H3*    G   2           H3*        G   2   6.602  -4.915  10.035
   17    H2*    G   2          1H2*        G   2   5.776  -7.185   9.879
   18   2HO*    G   2          2HO*        G   2   7.076  -8.782   9.315
   19    H1*    G   2           H1*        G   2   7.089  -8.085  12.117
   20    H8     G   2           H8         G   2   6.535  -4.445  12.722
   21    H1     G   2           H1         G   2   1.322  -7.998  13.808
   22   1H2     G   2          1H2         G   2   3.092 -10.528  12.214
   23   2H2     G   2          2H2         G   2   1.604 -10.041  12.993
   24   1H5*    A   3          H5*         A   3   7.073  -7.894   7.679
   25   2H5*    A   3          2H5*        A   3   6.726  -7.674   5.952
   26    H4*    A   3           H4*        A   3   5.598  -9.621   6.588
   27    H3*    A   3           H3*        A   3   3.759  -7.283   6.253
   28    H2*    A   3          1H2*        A   3   1.888  -8.631   6.953
   29   2HO*    A   3          2HO*        A   3   3.524 -10.615   6.113
   30    H1*    A   3           H1*        A   3   3.134  -9.729   9.162
   31    H8     A   3           H8         A   3   4.581  -6.300   8.814
   32   1H6     A   3          1H6         A   3   1.266  -3.824  11.329
   33   2H6     A   3          2H6         A   3  -0.337  -4.207  11.917
   34    H2     A   3           H2         A   3  -1.144  -8.463  10.745
   35   1H5*    A   4          H5*         A   4   2.053 -10.457   4.471
   36   2H5*    A   4          2H5*        A   4   1.899 -10.286   2.711
   37    H4*    A   4           H4*        A   4  -0.129 -11.179   3.294
   38    H3*    A   4           H3*        A   4  -0.388  -8.210   3.054
   39    H2*    A   4          1H2*        A   4  -2.681  -8.322   3.805
   40   2HO*    A   4          2HO*        A   4  -3.554 -10.158   3.039
   41    H1*    A   4           H1*        A   4  -2.156  -9.849   6.023
   42    H8     A   4           H8         A   4   1.008  -7.940   5.350
   43   1H6     A   4          1H6         A   4  -0.035  -3.889   7.833
   44   2H6     A   4          2H6         A   4  -1.504  -3.275   8.557
   45    H2     A   4           H2         A   4  -4.695  -6.326   7.796
   46   1H5*    G   5          H5*         G   5  -3.497  -9.611   1.155
   47   2H5*    G   5          2H5*        G   5  -3.963  -8.893  -0.400
   48    H4*    G   5           H4*        G   5  -5.783  -8.637   1.094
   49    H3*    G   5           H3*        G   5  -4.339  -6.022   0.657
   50    H2*    G   5          1H2*        G   5  -6.114  -5.004   1.967
   51   2HO*    G   5          2HO*        G   5  -7.438  -7.211   1.165
   52    H1*    G   5           H1*        G   5  -5.946  -6.922   3.990
   53    H8     G   5           H8         G   5  -2.439  -6.595   2.979
   54    H1     G   5           H1         G   5  -4.543  -1.442   6.165
   55   1H2     G   5          1H2         G   5  -7.678  -2.747   5.601
   56   2H2     G   5          2H2         G   5  -6.720  -1.453   6.287
   57   1H5*    C   6          H5*         C   6  -8.172  -5.166   0.454
   58   2H5*    C   6          2H5*        C   6  -8.595  -4.870  -1.243
   59    H4*    C   6           H4*        C   6  -9.831  -3.282  -0.149
   60    H3*    C   6           H3*        C   6  -7.276  -1.995  -1.062
   61    H2*    C   6          1H2*        C   6  -8.013   0.075  -0.045
   62   2HO*    C   6          2HO*        C   6 -10.401  -0.948  -0.473
   63    H1*    C   6           H1*        C   6  -8.718  -1.084   2.366
   64   1H4     C   6          1H4         C   6  -2.139  -1.395   2.489
   65   2H4     C   6          2H4         C   6  -2.507   0.252   2.936
   66    H5     C   6           H5         C   6  -3.822  -2.958   1.720
   67    H6     C   6           H6         C   6  -6.193  -3.253   1.234
   68   1H5*    A   7          H5*         A   7 -10.111   0.279  -2.011
   69   2H5*    A   7          2H5*        A   7 -10.208   1.244  -3.498
   70    H4*    A   7           H4*        A   7 -10.113   2.733  -1.651
   71    H3*    A   7           H3*        A   7  -7.580   2.666  -3.270
   72    H2*    A   7          1H2*        A   7  -6.646   4.321  -1.799
   73   2HO*    A   7          2HO*        A   7  -7.904   5.671  -0.707
   74    H1*    A   7           H1*        A   7  -7.664   3.178   0.569
   75    H8     A   7           H8         A   7  -6.493   0.225  -1.237
   76   1H6     A   7          1H6         A   7  -1.741   0.456  -0.262
   77   2H6     A   7          2H6         A   7  -0.711   1.711   0.394
   78    H2     A   7           H2         A   7  -3.330   5.260   1.185
   79   1H5*    G   8          H5*         G   8  -8.163   6.169  -2.408
   80   2H5*    G   8          2H5*        G   8  -8.606   7.310  -3.692
   81    H4*    G   8           H4*        G   8  -7.061   8.489  -2.470
   82    H3*    G   8           H3*        G   8  -5.754   7.282  -4.870
   83    H2*    G   8          1H2*        G   8  -3.598   8.075  -4.141
   84   2HO*    G   8          2HO*        G   8  -4.998   9.978  -3.060
   85    H1*    G   8           H1*        G   8  -3.842   7.249  -1.515
   86    H8     G   8           H8         G   8  -5.775   4.797  -3.568
   87    H1     G   8           H1         G   8   0.548   3.719  -3.529
   88   1H2     G   8          1H2         G   8   0.762   6.857  -2.106
   89   2H2     G   8          2H2         G   8   1.607   5.437  -2.673
   90   1H5*    G   9          H5*         G   9  -4.287  10.896  -5.039
   91   2H5*    G   9          2H5*        G   9  -4.354  11.692  -6.623
   92    H4*    G   9           H4*        G   9  -2.081  11.547  -6.013
   93    H3*    G   9           H3*        G   9  -2.749   9.481  -8.111
   94    H2*    G   9          1H2*        G   9  -0.391   8.952  -8.142
   95   2HO*    G   9          2HO*        G   9  -0.232  11.484  -7.140
   96    H1*    G   9           H1*        G   9  -0.157   8.962  -5.337
   97    H8     G   9           H8         G   9  -3.409   7.346  -5.984
   98    H1     G   9           H1         G   9   1.569   3.579  -7.452
   99   1H2     G   9          1H2         G   9   3.449   6.448  -7.093
  100   2H2     G   9          2H2         G   9   3.432   4.740  -7.466
  101   1H5*    C  10          H5*         C  10   0.730  11.446  -8.709
  102   2H5*    C  10          2H5*        C  10   0.656  12.386 -10.212
  103    H4*    C  10           H4*        C  10   2.825  11.575 -10.149
  104    H3*    C  10           H3*        C  10   1.153   9.913 -11.999
  105    H2*    C  10          1H2*        C  10   3.048   8.493 -12.419
  106   2HO*    C  10          2HO*        C  10   4.922   9.498 -12.433
  107    H1*    C  10           H1*        C  10   3.865   8.309  -9.752
  108   1H4     C  10          1H4         C  10  -1.341   4.281 -10.355
  109   2H4     C  10          2H4         C  10   0.084   3.288 -10.523
  110    H5     C  10           H5         C  10  -1.230   6.701 -10.156
  111    H6     C  10           H6         C  10   0.266   8.626 -10.101
  112   1H5*    U  11          H5*         U  11   4.062  10.285 -13.913
  113   2H5*    U  11          2H5*        U  11   4.146  10.942 -15.559
  114    H4*    U  11           H4*        U  11   4.998   8.792 -15.756
  115    H3*    U  11           H3*        U  11   2.140   8.871 -16.663
  116    H2*    U  11          1H2*        U  11   2.164   6.522 -17.023
  117   2HO*    U  11          2HO*        U  11   3.994   5.429 -17.449
  118    H1*    U  11           H1*        U  11   3.943   5.893 -14.864
  119    H3     U  11           H3         U  11   0.170   3.523 -14.057
  120    H5     U  11           H5         U  11  -0.722   7.457 -12.852
  121    H6     U  11           H6         U  11   1.356   8.147 -13.846
  122   1H5*    U  12          H5*         U  12   3.433   8.737 -21.767
  123   2H5*    U  12          2H5*        U  12   1.913   7.824 -21.831
  124    H4*    U  12           H4*        U  12   3.381   6.437 -22.926
  125    H3*    U  12           H3*        U  12   2.354   5.316 -20.745
  126    H2*    U  12          1H2*        U  12   4.074   6.017 -19.187
  127   2HO*    U  12          2HO*        U  12   4.472   3.469 -20.261
  128    H1*    U  12           H1*        U  12   6.195   5.220 -21.252
  129    H3     U  12           H3         U  12   9.298   6.429 -18.250
  130    H5     U  12           H5         U  12   6.762   9.769 -18.432
  131    H6     U  12           H6         U  12   5.324   8.500 -19.883
  132   1H5*    C  13          H5*         C  13   3.376   1.622 -19.661
  133   2H5*    C  13          2H5*        C  13   2.480   0.742 -20.913
  134    H4*    C  13           H4*        C  13   1.891   0.082 -18.617
  135    H3*    C  13           H3*        C  13   0.126   0.140 -20.609
  136    H2*    C  13          1H2*        C  13  -0.547   2.469 -20.343
  137   2HO*    C  13          2HO*        C  13  -2.183   0.613 -19.060
  138    H1*    C  13           H1*        C  13  -0.689   1.985 -17.316
  139   1H4     C  13          1H4         C  13   0.058   8.481 -18.276
  140   2H4     C  13          2H4         C  13  -1.365   8.263 -17.284
  141    H5     C  13           H5         C  13   1.316   6.614 -19.177
  142    H6     C  13           H6         C  13   1.461   4.184 -19.296
  143   1H5*    G  14          H5*         G  14  -0.706  -2.975 -16.131
  144   2H5*    G  14          2H5*        G  14   0.144  -1.657 -16.954
  145    H4*    G  14           H4*        G  14   0.751  -4.526 -17.574
  146    H3*    G  14           H3*        G  14   1.703  -3.003 -15.170
  147    H2*    G  14          1H2*        G  14   3.921  -3.871 -15.507
  148   2HO*    G  14          2HO*        G  14   2.551  -5.857 -16.661
  149    H1*    G  14           H1*        G  14   3.958  -3.467 -18.266
  150    H8     G  14           H8         G  14   5.996  -2.038 -17.498
  151    H1     G  14           H1         G  14   2.000   2.359 -15.085
  152   1H2     G  14          1H2         G  14  -0.449  -0.036 -15.620
  153   2H2     G  14          2H2         G  14  -0.069   1.574 -15.054
  154   1H5*    G  15          H5*         G  15   3.784  -5.272 -14.131
  155   2H5*    G  15          2H5*        G  15   3.758  -5.553 -12.380
  156    H4*    G  15           H4*        G  15   5.711  -4.268 -13.122
  157    H3*    G  15           H3*        G  15   3.819  -3.033 -11.157
  158    H2*    G  15          1H2*        G  15   5.195  -1.054 -11.103
  159   2HO*    G  15          2HO*        G  15   7.235  -1.044 -11.862
  160    H1*    G  15           H1*        G  15   5.399  -0.811 -13.848
  161    H8     G  15           H8         G  15   2.093  -2.325 -13.459
  162    H1     G  15           H1         G  15   2.115   3.826 -11.696
  163   1H2     G  15          1H2         G  15   5.550   3.530 -11.795
  164   2H2     G  15          2H2         G  15   4.171   4.563 -11.498
  165   1H5*    C  16          H5*         C  16   7.604  -1.798 -10.198
  166   2H5*    C  16          2H5*        C  16   7.982  -2.437  -8.587
  167    H4*    C  16           H4*        C  16   8.687  -0.183  -8.635
  168    H3*    C  16           H3*        C  16   6.216  -0.625  -6.993
  169    H2*    C  16          1H2*        C  16   6.127   1.726  -6.502
  170   2HO*    C  16          2HO*        C  16   7.959   2.785  -6.382
  171    H1*    C  16           H1*        C  16   6.696   2.585  -9.103
  172   1H4     C  16          1H4         C  16   0.339   0.787  -9.150
  173   2H4     C  16          2H4         C  16   0.369   2.514  -8.889
  174    H5     C  16           H5         C  16   2.362  -0.556  -9.207
  175    H6     C  16           H6         C  16   4.796  -0.499  -9.058
  176   1H5*    C  17          H5*         C  17   8.832   1.975  -5.048
  177   2H5*    C  17          2H5*        C  17   9.246   1.303  -3.459
  178    H4*    C  17           H4*        C  17   8.812   3.654  -3.264
  179    H3*    C  17           H3*        C  17   6.797   1.861  -1.939
  180    H2*    C  17          1H2*        C  17   5.616   3.844  -1.190
  181   2HO*    C  17          2HO*        C  17   7.508   5.469  -2.533
  182    H1*    C  17           H1*        C  17   5.640   5.080  -3.660
  183   1H4     C  17          1H4         C  17   1.293   0.218  -4.553
  184   2H4     C  17          2H4         C  17   0.356   1.553  -3.930
  185    H5     C  17           H5         C  17   3.700   0.249  -4.727
  186    H6     C  17           H6         C  17   5.710   1.577  -4.348
  187   1H5*    U  18          H5*         U  18   8.094   5.168  -0.012
  188   2H5*    U  18          2H5*        U  18   8.355   5.125   1.743
  189    H4*    U  18           H4*        U  18   6.988   7.028   0.914
  190    H3*    U  18           H3*        U  18   6.695   5.776   3.288
  191    H2*    U  18          1H2*        U  18   4.866   4.335   2.816
  192   2HO*    U  18          2HO*        U  18   3.973   6.908   3.428
  193    H1*    U  18           H1*        U  18   3.578   6.328   0.911
  194    H3     U  18           H3         U  18   0.856   3.235  -0.745
  195    H5     U  18           H5         U  18   4.285   1.012   0.222
  196    H6     U  18           H6         U  18   5.295   3.047   0.983
  197   1H5*    U  19          H5*         U  19   4.593   8.444   6.562
  198   2H5*    U  19          2H5*        U  19   4.044   7.678   5.058
  199    H4*    U  19           H4*        U  19   3.567  10.570   5.761
  200    H3*    U  19           H3*        U  19   1.875   8.181   6.415
  201    H2*    U  19          1H2*        U  19  -0.092   9.349   5.721
  202   2HO*    U  19          2HO*        U  19   1.278  11.427   6.630
  203    H1*    U  19           H1*        U  19   1.082  10.686   3.523
  204    H3     U  19           H3         U  19  -1.973   7.936   1.649
  205    H5     U  19           H5         U  19   1.280   5.448   2.561
  206    H6     U  19           H6         U  19   2.261   7.292   3.755
  207   1H5*    G  20          H5*         G  20  -0.590   7.016   8.352
  208   2H5*    G  20          2H5*        G  20  -0.035   7.675   6.803
  209    H4*    G  20           H4*        G  20  -2.410   9.033   7.705
  210    H3*    G  20           H3*        G  20  -2.529   6.061   7.863
  211    H2*    G  20          1H2*        G  20  -4.547   5.989   6.544
  212   2HO*    G  20          2HO*        G  20  -5.817   7.698   6.396
  213    H1*    G  20           H1*        G  20  -3.622   7.568   4.514
  214    H8     G  20           H8         G  20  -0.391   6.312   5.561
  215    H1     G  20           H1         G  20  -3.943   1.695   2.874
  216   1H2     G  20          1H2         G  20  -6.567   3.894   3.313
  217   2H2     G  20          2H2         G  20  -6.034   2.329   2.745
  218   1H5*    U  21          H5*         U  21  -6.143   6.407   8.004
  219   2H5*    U  21          2H5*        U  21  -6.821   5.955   9.580
  220    H4*    U  21           H4*        U  21  -8.012   4.724   7.983
  221    H3*    U  21           H3*        U  21  -6.025   3.054   9.478
  222    H2*    U  21          1H2*        U  21  -6.614   1.138   8.148
  223   2HO*    U  21          2HO*        U  21  -8.936   2.334   8.029
  224    H1*    U  21           H1*        U  21  -6.586   2.458   5.702
  225    H3     U  21           H3         U  21  -2.789  -0.106   6.041
  226    H5     U  21           H5         U  21  -1.819   3.625   7.676
  227    H6     U  21           H6         U  21  -4.155   4.199   7.576
  228   1H5*    U  22          H5*         U  22  -9.524   0.878   9.437
  229   2H5*    U  22          2H5*        U  22 -10.119   0.606  11.087
  230    H4*    U  22           H4*        U  22 -10.326  -1.470  10.119
  231    H3*    U  22           H3*        U  22  -7.724  -1.405  11.627
  232    H2*    U  22          1H2*        U  22  -7.328  -3.679  10.926
  233   2HO*    U  22          2HO*        U  22  -9.056  -4.882  10.687
  234    H1*    U  22           H1*        U  22  -8.024  -3.239   8.265
  235    H3     U  22           H3         U  22  -3.522  -3.547   8.219
  236    H5     U  22           H5         U  22  -4.284   0.347   9.591
  237    H6     U  22           H6         U  22  -6.616  -0.239   9.710
  238   1H5*    U  23          H5*         U  23  -9.826  -5.103  12.449
  239   2H5*    U  23          2H5*        U  23  -9.419  -5.641  14.089
  240    H4*    U  23           H4*        U  23  -8.912  -7.289  12.301
  241    H3*    U  23           H3*        U  23  -6.705  -6.351  14.118
  242    H2*    U  23          1H2*        U  23  -5.189  -7.799  12.954
  243   2HO*    U  23          2HO*        U  23  -5.955  -9.641  12.250
  244    H1*    U  23           H1*        U  23  -6.241  -7.281  10.378
  245    H3     U  23           H3         U  23  -2.026  -5.623  10.349
  246    H5     U  23           H5         U  23  -4.329  -2.707  12.316
  247    H6     U  23           H6         U  23  -6.150  -4.278  12.342
  248   1H5*    C  24          H5*         C  24  -6.818 -10.653  13.605
  249   2H5*    C  24          2H5*        C  24  -6.423 -11.444  15.144
  250    H4*    C  24           H4*        C  24  -5.102 -12.249  13.209
  251    H3*    C  24           H3*        C  24  -3.727 -11.152  15.637
  252    H2*    C  24          1H2*        C  24  -1.592 -11.476  14.582
  253   2HO*    C  24          2HO*        C  24  -2.950 -13.397  13.306
  254    H1*    C  24           H1*        C  24  -2.345 -10.503  12.073
  255   1H4     C  24          1H4         C  24  -1.463  -5.051  15.654
  256   2H4     C  24          2H4         C  24   0.122  -5.485  15.044
  257    H5     C  24           H5         C  24  -3.399  -6.492  15.367
  258    H6     C  24           H6         C  24  -4.190  -8.603  14.437
  259   1H5*    C  25          H5*         C  25  -1.446 -14.335  14.316
  260   2H5*    C  25          2H5*        C  25  -1.566 -15.593  15.561
  261    H4*    C  25           H4*        C  25   0.679 -15.566  14.974
  262    H3*    C  25           H3*        C  25   0.212 -14.138  17.558
  263    H2*    C  25          1H2*        C  25   2.516 -13.474  17.667
  264   2HO*    C  25          2HO*        C  25   2.953 -15.703  16.467
  265    H1*    C  25           H1*        C  25   2.747 -12.686  15.014
  266   1H4     C  25          1H4         C  25  -0.745  -7.914  17.971
  267   2H4     C  25          2H4         C  25   0.894  -7.324  17.808
  268    H5     C  25           H5         C  25  -1.394 -10.161  17.329
  269    H6     C  25           H6         C  25  -0.603 -12.280  16.418
  270    H3T    C  25           H3T        C  25   0.147 -16.343  17.486
  Start of MODEL    2
    1   1H5*    G   1          H5*         G   1   7.947   1.587  15.598
    2   2H5*    G   1          2H5*        G   1   7.847   0.681  17.119
    3    H4*    G   1           H4*        G   1  10.070   0.054  15.249
    4    H3*    G   1           H3*        G   1   7.208  -0.590  14.620
    5    H2*    G   1          1H2*        G   1   7.873  -2.814  13.976
    6   2HO*    G   1          2HO*        G   1  10.148  -1.647  13.406
    7    H1*    G   1           H1*        G   1   9.419  -3.290  16.213
    8    H8     G   1           H8         G   1   6.837  -1.137  17.625
    9    H1     G   1           H1         G   1   4.527  -6.913  16.083
   10   1H2     G   1          1H2         G   1   7.496  -7.292  14.357
   11   2H2     G   1          2H2         G   1   5.963  -7.996  14.823
   12    H5T    G   1           H5T        G   1  10.158   1.227  17.344
   13   1H5*    G   2          H5*         G   2   9.720  -2.148  11.433
   14   2H5*    G   2          2H5*        G   2   9.066  -1.423   9.950
   15    H4*    G   2           H4*        G   2   9.486  -3.750   9.583
   16    H3*    G   2           H3*        G   2   6.605  -2.935   9.589
   17    H2*    G   2          1H2*        G   2   5.944  -5.231   9.262
   18   2HO*    G   2          2HO*        G   2   7.290  -6.659   8.426
   19    H1*    G   2           H1*        G   2   7.563  -6.275  11.235
   20    H8     G   2           H8         G   2   6.753  -2.906  12.524
   21    H1     G   2           H1         G   2   1.858  -6.999  13.072
   22   1H2     G   2          1H2         G   2   3.725  -9.030  10.972
   23   2H2     G   2          2H2         G   2   2.251  -8.827  11.887
   24   1H5*    A   3          H5*         A   3   7.431  -5.484   6.667
   25   2H5*    A   3          2H5*        A   3   6.754  -5.226   5.047
   26    H4*    A   3           H4*        A   3   6.248  -7.446   5.814
   27    H3*    A   3           H3*        A   3   3.930  -5.586   5.463
   28    H2*    A   3          1H2*        A   3   2.423  -7.305   6.243
   29   2HO*    A   3          2HO*        A   3   4.382  -8.898   5.380
   30    H1*    A   3           H1*        A   3   3.890  -7.956   8.479
   31    H8     A   3           H8         A   3   4.721  -4.388   8.127
   32   1H6     A   3          1H6         A   3   0.829  -2.403  10.220
   33   2H6     A   3          2H6         A   3  -0.748  -3.024  10.666
   34    H2     A   3           H2         A   3  -0.776  -7.368   9.569
   35   1H5*    A   4          H5*         A   4   2.825  -9.105   3.773
   36   2H5*    A   4          2H5*        A   4   2.683  -8.967   2.009
   37    H4*    A   4           H4*        A   4   0.843 -10.224   2.554
   38    H3*    A   4           H3*        A   4   0.047  -7.362   2.254
   39    H2*    A   4          1H2*        A   4  -2.194  -7.849   3.007
   40   2HO*    A   4          2HO*        A   4  -1.526 -10.322   2.176
   41    H1*    A   4           H1*        A   4  -1.444  -9.214   5.259
   42    H8     A   4           H8         A   4   1.416  -6.896   4.634
   43   1H6     A   4          1H6         A   4  -0.305  -2.918   6.815
   44   2H6     A   4          2H6         A   4  -1.875  -2.482   7.452
   45    H2     A   4           H2         A   4  -4.570  -5.996   6.751
   46   1H5*    G   5          H5*         G   5  -3.163  -8.655   1.138
   47   2H5*    G   5          2H5*        G   5  -3.538  -8.273  -0.553
   48    H4*    G   5           H4*        G   5  -5.367  -7.538   0.734
   49    H3*    G   5           H3*        G   5  -3.670  -5.171  -0.072
   50    H2*    G   5          1H2*        G   5  -5.372  -3.792   0.936
   51   2HO*    G   5          2HO*        G   5  -6.917  -5.881   0.283
   52    H1*    G   5           H1*        G   5  -5.702  -5.501   3.177
   53    H8     G   5           H8         G   5  -2.061  -5.182   2.539
   54    H1     G   5           H1         G   5  -4.616  -0.035   5.389
   55   1H2     G   5          1H2         G   5  -7.637  -1.465   4.571
   56   2H2     G   5          2H2         G   5  -6.794  -0.128   5.322
   57   1H5*    C   6          H5*         C   6  -7.940  -4.654  -0.864
   58   2H5*    C   6          2H5*        C   6  -8.022  -4.280  -2.596
   59    H4*    C   6           H4*        C   6  -9.584  -2.899  -1.463
   60    H3*    C   6           H3*        C   6  -7.219  -1.490  -2.608
   61    H2*    C   6          1H2*        C   6  -7.874   0.593  -1.617
   62   2HO*    C   6          2HO*        C   6 -10.261  -0.258  -2.012
   63    H1*    C   6           H1*        C   6  -8.577  -0.409   0.878
   64   1H4     C   6          1H4         C   6  -1.993  -0.535   1.027
   65   2H4     C   6          2H4         C   6  -2.461   0.997   1.725
   66    H5     C   6           H5         C   6  -3.581  -2.053   0.013
   67    H6     C   6           H6         C   6  -5.933  -2.422  -0.509
   68   1H5*    A   7          H5*         A   7  -9.043   2.608  -5.214
   69   2H5*    A   7          2H5*        A   7  -7.615   2.006  -4.350
   70    H4*    A   7           H4*        A   7 -10.011   3.343  -3.099
   71    H3*    A   7           H3*        A   7  -7.380   4.481  -3.951
   72    H2*    A   7          1H2*        A   7  -7.198   5.713  -1.895
   73   2HO*    A   7          2HO*        A   7  -9.877   5.525  -2.006
   74    H1*    A   7           H1*        A   7  -7.996   3.651  -0.213
   75    H8     A   7           H8         A   7  -6.101   1.639  -2.551
   76   1H6     A   7          1H6         A   7  -1.542   2.670  -1.145
   77   2H6     A   7          2H6         A   7  -0.881   3.947  -0.136
   78    H2     A   7           H2         A   7  -4.281   6.472   1.260
   79   1H5*    G   8          H5*         G   8  -7.779   7.806  -2.001
   80   2H5*    G   8          2H5*        G   8  -8.070   8.968  -3.310
   81    H4*    G   8           H4*        G   8  -6.193   9.778  -2.226
   82    H3*    G   8           H3*        G   8  -5.416   8.353  -4.740
   83    H2*    G   8          1H2*        G   8  -3.086   8.713  -4.235
   84   2HO*    G   8          2HO*        G   8  -4.010  10.247  -2.008
   85    H1*    G   8           H1*        G   8  -3.236   7.939  -1.580
   86    H8     G   8           H8         G   8  -5.739   5.921  -3.504
   87    H1     G   8           H1         G   8   0.265   3.677  -3.844
   88   1H2     G   8          1H2         G   8   1.145   6.672  -2.407
   89   2H2     G   8          2H2         G   8   1.673   5.128  -3.036
   90   1H5*    G   9          H5*         G   9  -2.821  11.127  -4.273
   91   2H5*    G   9          2H5*        G   9  -2.939  12.393  -5.510
   92    H4*    G   9           H4*        G   9  -0.679  11.999  -5.410
   93    H3*    G   9           H3*        G   9  -1.780  10.338  -7.668
   94    H2*    G   9          1H2*        G   9   0.472   9.587  -8.096
   95   2HO*    G   9          2HO*        G   9   1.883  11.164  -7.762
   96    H1*    G   9           H1*        G   9   1.084   9.135  -5.399
   97    H8     G   9           H8         G   9  -2.483   8.249  -6.390
   98    H1     G   9           H1         G   9   1.789   3.522  -7.136
   99   1H2     G   9          1H2         G   9   4.141   5.941  -6.389
  100   2H2     G   9          2H2         G   9   3.822   4.268  -6.796
  101   1H5*    C  10          H5*         C  10   1.526  12.922  -9.170
  102   2H5*    C  10          2H5*        C  10   1.376  13.071 -10.932
  103    H4*    C  10           H4*        C  10   3.518  12.104 -10.211
  104    H3*    C  10           H3*        C  10   1.732  10.475 -11.992
  105    H2*    C  10          1H2*        C  10   3.388   8.720 -11.975
  106   2HO*    C  10          2HO*        C  10   5.424   9.290 -11.752
  107    H1*    C  10           H1*        C  10   3.823   8.803  -9.224
  108   1H4     C  10          1H4         C  10  -1.971   5.755 -10.206
  109   2H4     C  10          2H4         C  10  -0.799   4.544  -9.782
  110    H5     C  10           H5         C  10  -1.377   8.112 -10.415
  111    H6     C  10           H6         C  10   0.459   9.713 -10.347
  112   1H5*    U  11          H5*         U  11   4.954   9.293 -13.442
  113   2H5*    U  11          2H5*        U  11   5.087   9.760 -15.148
  114    H4*    U  11           H4*        U  11   5.430   7.459 -15.132
  115    H3*    U  11           H3*        U  11   2.604   8.070 -15.967
  116    H2*    U  11          1H2*        U  11   2.254   5.699 -16.256
  117   2HO*    U  11          2HO*        U  11   4.065   4.271 -15.893
  118    H1*    U  11           H1*        U  11   3.506   4.992 -13.848
  119    H3     U  11           H3         U  11  -0.789   4.277 -12.797
  120    H5     U  11           H5         U  11  -0.485   8.480 -12.983
  121    H6     U  11           H6         U  11   1.766   8.194 -13.781
  122   1H5*    U  12          H5*         U  12   3.347   7.646 -21.159
  123   2H5*    U  12          2H5*        U  12   1.780   6.834 -20.967
  124    H4*    U  12           H4*        U  12   3.068   5.443 -22.338
  125    H3*    U  12           H3*        U  12   2.037   4.336 -20.117
  126    H2*    U  12          1H2*        U  12   3.973   4.560 -18.698
  127   2HO*    U  12          2HO*        U  12   4.133   2.159 -20.197
  128    H1*    U  12           H1*        U  12   5.747   3.764 -21.070
  129    H3     U  12           H3         U  12   9.267   4.096 -18.311
  130    H5     U  12           H5         U  12   7.270   7.750 -17.791
  131    H6     U  12           H6         U  12   5.513   6.902 -19.198
  132   1H5*    C  13          H5*         C  13   2.915   1.063 -19.409
  133   2H5*    C  13          2H5*        C  13   1.842  -0.064 -20.262
  134    H4*    C  13           H4*        C  13   1.802  -0.471 -17.886
  135    H3*    C  13           H3*        C  13  -0.460  -0.475 -19.314
  136    H2*    C  13          1H2*        C  13  -1.047   1.855 -18.978
  137   2HO*    C  13          2HO*        C  13  -2.078   0.353 -16.782
  138    H1*    C  13           H1*        C  13  -0.250   1.537 -16.035
  139   1H4     C  13          1H4         C  13   0.197   7.975 -17.409
  140   2H4     C  13          2H4         C  13  -0.864   7.811 -16.026
  141    H5     C  13           H5         C  13   1.090   6.059 -18.596
  142    H6     C  13           H6         C  13   1.171   3.624 -18.670
  143   1H5*    G  14          H5*         G  14   0.950  -2.148 -19.049
  144   2H5*    G  14          2H5*        G  14   0.907  -3.793 -19.709
  145    H4*    G  14           H4*        G  14   2.532  -4.500 -18.379
  146    H3*    G  14           H3*        G  14   1.069  -3.178 -16.116
  147    H2*    G  14          1H2*        G  14   3.071  -2.945 -14.893
  148   2HO*    G  14          2HO*        G  14   3.739  -5.051 -14.874
  149    H1*    G  14           H1*        G  14   4.847  -2.969 -17.212
  150    H8     G  14           H8         G  14   6.211  -0.888 -16.957
  151    H1     G  14           H1         G  14   1.439   2.198 -13.975
  152   1H2     G  14          1H2         G  14  -0.379  -0.705 -14.609
  153   2H2     G  14          2H2         G  14  -0.369   0.902 -13.914
  154   1H5*    G  15          H5*         G  15   1.177  -4.088 -12.146
  155   2H5*    G  15          2H5*        G  15   1.272  -3.120 -13.630
  156    H4*    G  15           H4*        G  15   3.891  -4.003 -12.859
  157    H3*    G  15           H3*        G  15   2.268  -2.940 -10.605
  158    H2*    G  15          1H2*        G  15   3.951  -1.320 -10.029
  159   2HO*    G  15          2HO*        G  15   5.954  -1.910 -10.407
  160    H1*    G  15           H1*        G  15   4.333  -0.352 -12.566
  161    H8     G  15           H8         G  15   0.805  -1.650 -12.390
  162    H1     G  15           H1         G  15   1.500   4.281 -10.090
  163   1H2     G  15          1H2         G  15   4.886   3.678 -10.375
  164   2H2     G  15          2H2         G  15   3.622   4.803  -9.928
  165   1H5*    C  16          H5*         C  16   5.935  -3.657  -8.943
  166   2H5*    C  16          2H5*        C  16   5.880  -4.408  -7.336
  167    H4*    C  16           H4*        C  16   7.063  -2.351  -7.169
  168    H3*    C  16           H3*        C  16   4.358  -2.321  -5.870
  169    H2*    C  16          1H2*        C  16   4.710  -0.022  -5.239
  170   2HO*    C  16          2HO*        C  16   7.277  -0.773  -5.384
  171    H1*    C  16           H1*        C  16   5.711   0.793  -7.709
  172   1H4     C  16          1H4         C  16  -0.821   0.199  -8.539
  173   2H4     C  16          2H4         C  16  -0.477   1.903  -8.317
  174    H5     C  16           H5         C  16   0.900  -1.505  -8.337
  175    H6     C  16           H6         C  16   3.265  -1.906  -7.902
  176   1H5*    C  17          H5*         C  17   7.647  -0.887  -3.551
  177   2H5*    C  17          2H5*        C  17   7.614  -1.396  -1.852
  178    H4*    C  17           H4*        C  17   8.163   0.932  -1.995
  179    H3*    C  17           H3*        C  17   5.514   0.295  -0.746
  180    H2*    C  17          1H2*        C  17   5.082   2.644  -0.464
  181   2HO*    C  17          2HO*        C  17   7.744   2.724  -0.457
  182    H1*    C  17           H1*        C  17   5.837   3.378  -3.030
  183   1H4     C  17          1H4         C  17   0.116   0.247  -4.000
  184   2H4     C  17          2H4         C  17  -0.309   1.928  -3.818
  185    H5     C  17           H5         C  17   2.347  -0.601  -3.673
  186    H6     C  17           H6         C  17   4.646  -0.008  -3.130
  187   1H5*    U  18          H5*         U  18   7.501   3.398   1.310
  188   2H5*    U  18          2H5*        U  18   8.302   2.455   2.580
  189    H4*    U  18           H4*        U  18   7.703   3.865   4.173
  190    H3*    U  18           H3*        U  18   5.194   3.098   3.847
  191    H2*    U  18          1H2*        U  18   4.623   4.386   1.910
  192   2HO*    U  18          2HO*        U  18   4.140   5.936   4.238
  193    H1*    U  18           H1*        U  18   6.028   6.862   2.989
  194    H3     U  18           H3         U  18   6.454   8.898  -0.941
  195    H5     U  18           H5         U  18   5.464   4.969  -2.027
  196    H6     U  18           H6         U  18   5.570   4.372   0.287
  197   1H5*    U  19          H5*         U  19   4.562   7.255   5.302
  198   2H5*    U  19          2H5*        U  19   4.398   6.944   7.041
  199    H4*    U  19           H4*        U  19   2.984   8.676   6.929
  200    H3*    U  19           H3*        U  19   1.258   6.344   6.158
  201    H2*    U  19          1H2*        U  19  -0.557   7.867   5.706
  202   2HO*    U  19          2HO*        U  19   0.703   9.337   7.516
  203    H1*    U  19           H1*        U  19   0.980   9.707   4.286
  204    H3     U  19           H3         U  19  -1.147   7.709   0.875
  205    H5     U  19           H5         U  19   1.514   4.764   2.236
  206    H6     U  19           H6         U  19   2.081   6.224   4.060
  207   1H5*    G  20          H5*         G  20  -1.068   8.694   7.801
  208   2H5*    G  20          2H5*        G  20  -1.676   8.176   9.385
  209    H4*    G  20           H4*        G  20  -3.502   9.064   8.193
  210    H3*    G  20           H3*        G  20  -3.555   6.113   8.558
  211    H2*    G  20          1H2*        G  20  -5.474   5.863   7.147
  212   2HO*    G  20          2HO*        G  20  -6.096   8.189   8.086
  213    H1*    G  20           H1*        G  20  -4.674   7.601   5.135
  214    H8     G  20           H8         G  20  -1.557   5.993   6.363
  215    H1     G  20           H1         G  20  -4.913   2.302   2.335
  216   1H2     G  20          1H2         G  20  -7.446   4.609   2.814
  217   2H2     G  20          2H2         G  20  -6.928   3.132   2.032
  218   1H5*    U  21          H5*         U  21  -7.058   6.508   9.917
  219   2H5*    U  21          2H5*        U  21  -7.460   5.542  11.350
  220    H4*    U  21           H4*        U  21  -8.516   4.577   9.441
  221    H3*    U  21           H3*        U  21  -6.260   2.952  10.578
  222    H2*    U  21          1H2*        U  21  -6.626   1.297   8.872
  223   2HO*    U  21          2HO*        U  21  -8.919   2.824   8.109
  224    H1*    U  21           H1*        U  21  -6.956   3.125   6.775
  225    H3     U  21           H3         U  21  -2.931   1.133   6.056
  226    H5     U  21           H5         U  21  -2.175   4.091   8.924
  227    H6     U  21           H6         U  21  -4.550   4.448   9.080
  228   1H5*    U  22          H5*         U  22  -9.798   0.609   9.592
  229   2H5*    U  22          2H5*        U  22 -10.318  -0.067  11.148
  230    H4*    U  22           H4*        U  22 -10.684  -1.816   9.717
  231    H3*    U  22           H3*        U  22  -8.000  -2.191  11.000
  232    H2*    U  22          1H2*        U  22  -7.667  -4.188   9.690
  233   2HO*    U  22          2HO*        U  22 -10.297  -4.272   9.749
  234    H1*    U  22           H1*        U  22  -8.477  -3.066   7.285
  235    H3     U  22           H3         U  22  -3.993  -3.053   6.833
  236    H5     U  22           H5         U  22  -4.766   0.145   9.435
  237    H6     U  22           H6         U  22  -7.057  -0.586   9.529
  238   1H5*    U  23          H5*         U  23  -9.628  -5.691  11.287
  239   2H5*    U  23          2H5*        U  23  -9.558  -6.519  12.855
  240    H4*    U  23           H4*        U  23  -8.533  -7.951  11.305
  241    H3*    U  23           H3*        U  23  -6.477  -6.555  13.006
  242    H2*    U  23          1H2*        U  23  -4.778  -7.812  11.846
  243   2HO*    U  23          2HO*        U  23  -5.375  -9.781  11.300
  244    H1*    U  23           H1*        U  23  -5.884  -7.409   9.301
  245    H3     U  23           H3         U  23  -2.121  -4.888   9.421
  246    H5     U  23           H5         U  23  -5.004  -2.606  11.450
  247    H6     U  23           H6         U  23  -6.467  -4.514  11.355
  248   1H5*    C  24          H5*         C  24  -5.916 -10.746  12.939
  249   2H5*    C  24          2H5*        C  24  -5.241 -11.405  14.442
  250    H4*    C  24           H4*        C  24  -3.962 -11.971  12.388
  251    H3*    C  24           H3*        C  24  -2.588 -10.564  14.663
  252    H2*    C  24          1H2*        C  24  -0.541 -10.603  13.389
  253   2HO*    C  24          2HO*        C  24  -1.708 -12.743  12.294
  254    H1*    C  24           H1*        C  24  -1.717  -9.808  10.980
  255   1H4     C  24          1H4         C  24  -1.292  -4.228  14.440
  256   2H4     C  24          2H4         C  24   0.324  -4.497  13.814
  257    H5     C  24           H5         C  24  -3.059  -5.878  14.229
  258    H6     C  24           H6         C  24  -3.626  -8.091  13.371
  259   1H5*    C  25          H5*         C  25   0.011 -13.513  13.113
  260   2H5*    C  25          2H5*        C  25   0.263 -14.667  14.438
  261    H4*    C  25           H4*        C  25   2.358 -14.330  13.424
  262    H3*    C  25           H3*        C  25   2.115 -12.968  16.081
  263    H2*    C  25          1H2*        C  25   4.323 -12.056  15.834
  264   2HO*    C  25          2HO*        C  25   5.779 -12.996  14.555
  265    H1*    C  25           H1*        C  25   4.034 -11.290  13.167
  266   1H4     C  25          1H4         C  25   0.731  -6.764  16.662
  267   2H4     C  25          2H4         C  25   2.314  -6.090  16.356
  268    H5     C  25           H5         C  25   0.124  -9.028  16.042
  269    H6     C  25           H6         C  25   0.911 -11.088  15.002
  270    H3T    C  25           H3T        C  25   3.920 -14.938  15.331
  Start of MODEL    3
    1   1H5*    G   1          H5*         G   1   7.234   0.363  14.774
    2   2H5*    G   1          2H5*        G   1   6.104  -0.104  16.058
    3    H4*    G   1           H4*        G   1   8.663  -1.554  15.399
    4    H3*    G   1           H3*        G   1   5.882  -2.046  14.385
    5    H2*    G   1          1H2*        G   1   6.204  -4.408  14.662
    6   2HO*    G   1          2HO*        G   1   8.194  -4.976  14.107
    7    H1*    G   1           H1*        G   1   7.474  -4.246  17.152
    8    H8     G   1           H8         G   1   4.790  -1.680  17.193
    9    H1     G   1           H1         G   1   2.603  -7.645  18.064
   10   1H2     G   1          1H2         G   1   5.777  -8.616  17.081
   11   2H2     G   1          2H2         G   1   4.181  -9.111  17.599
   12    H5T    G   1           H5T        G   1   8.211  -0.059  17.372
   13   1H5*    G   2          H5*         G   2   8.639  -4.551  12.280
   14   2H5*    G   2          2H5*        G   2   8.560  -4.105  10.565
   15    H4*    G   2           H4*        G   2   8.694  -6.418  10.552
   16    H3*    G   2           H3*        G   2   5.892  -5.499  10.071
   17    H2*    G   2          1H2*        G   2   5.106  -7.786  10.084
   18   2HO*    G   2          2HO*        G   2   7.544  -8.297   9.284
   19    H1*    G   2           H1*        G   2   6.363  -8.507  12.414
   20    H8     G   2           H8         G   2   5.829  -4.866  12.845
   21    H1     G   2           H1         G   2   0.503  -8.273  13.856
   22   1H2     G   2          1H2         G   2   2.269 -10.891  12.413
   23   2H2     G   2          2H2         G   2   0.766 -10.344  13.121
   24   1H5*    A   3          H5*         A   3   6.424  -8.499   7.760
   25   2H5*    A   3          2H5*        A   3   5.992  -8.373   6.043
   26    H4*    A   3           H4*        A   3   4.836 -10.232   6.906
   27    H3*    A   3           H3*        A   3   3.046  -7.873   6.428
   28    H2*    A   3          1H2*        A   3   1.173  -9.163   7.240
   29   2HO*    A   3          2HO*        A   3   2.732 -11.199   6.459
   30    H1*    A   3           H1*        A   3   2.472 -10.118   9.496
   31    H8     A   3           H8         A   3   3.927  -6.746   9.073
   32   1H6     A   3          1H6         A   3   0.506  -4.100  11.243
   33   2H6     A   3          2H6         A   3  -1.142  -4.421  11.739
   34    H2     A   3           H2         A   3  -1.950  -8.722  10.733
   35   1H5*    A   4          H5*         A   4   1.147 -11.124   4.794
   36   2H5*    A   4          2H5*        A   4   1.076 -10.968   3.027
   37    H4*    A   4           H4*        A   4  -1.017 -11.752   3.526
   38    H3*    A   4           H3*        A   4  -1.092  -8.792   3.198
   39    H2*    A   4          1H2*        A   4  -3.375  -8.675   3.951
   40   2HO*    A   4          2HO*        A   4  -3.460 -11.133   3.003
   41    H1*    A   4           H1*        A   4  -3.054 -10.236   6.187
   42    H8     A   4           H8         A   4   0.274  -8.603   5.545
   43   1H6     A   4          1H6         A   4  -0.432  -4.496   8.034
   44   2H6     A   4          2H6         A   4  -1.843  -3.763   8.766
   45    H2     A   4           H2         A   4  -5.275  -6.548   8.018
   46   1H5*    G   5          H5*         G   5  -4.553  -9.834   1.361
   47   2H5*    G   5          2H5*        G   5  -4.784  -8.932  -0.149
   48    H4*    G   5           H4*        G   5  -6.592  -8.519   1.410
   49    H3*    G   5           H3*        G   5  -4.845  -6.109   0.889
   50    H2*    G   5          1H2*        G   5  -6.507  -4.867   2.159
   51   2HO*    G   5          2HO*        G   5  -8.070  -6.906   1.400
   52    H1*    G   5           H1*        G   5  -6.535  -6.747   4.229
   53    H8     G   5           H8         G   5  -3.016  -6.815   3.278
   54    H1     G   5           H1         G   5  -4.609  -1.318   6.173
   55   1H2     G   5          1H2         G   5  -7.852  -2.301   5.590
   56   2H2     G   5          2H2         G   5  -6.769  -1.087   6.238
   57   1H5*    C   6          H5*         C   6  -8.893  -4.985   0.530
   58   2H5*    C   6          2H5*        C   6  -9.058  -4.041  -0.963
   59    H4*    C   6           H4*        C   6 -10.068  -2.954   1.000
   60    H3*    C   6           H3*        C   6  -7.862  -1.527  -0.462
   61    H2*    C   6          1H2*        C   6  -8.064   0.299   1.084
   62   2HO*    C   6          2HO*        C   6 -10.585  -0.539   1.163
   63    H1*    C   6           H1*        C   6  -8.413  -1.311   3.377
   64   1H4     C   6          1H4         C   6  -1.906  -1.191   2.587
   65   2H4     C   6          2H4         C   6  -2.281   0.400   3.220
   66    H5     C   6           H5         C   6  -3.611  -2.753   1.877
   67    H6     C   6           H6         C   6  -6.013  -3.116   1.665
   68   1H5*    A   7          H5*         A   7 -10.175   1.491   0.794
   69   2H5*    A   7          2H5*        A   7 -11.107   1.916  -0.655
   70    H4*    A   7           H4*        A   7 -10.586   3.980   0.156
   71    H3*    A   7           H3*        A   7  -8.474   3.261  -1.850
   72    H2*    A   7          1H2*        A   7  -7.332   5.334  -1.353
   73   2HO*    A   7          2HO*        A   7  -9.736   6.161  -0.760
   74    H1*    A   7           H1*        A   7  -7.450   5.042   1.393
   75    H8     A   7           H8         A   7  -7.212   1.671  -0.356
   76   1H6     A   7          1H6         A   7  -2.372   1.223  -0.298
   77   2H6     A   7          2H6         A   7  -1.072   2.312   0.144
   78    H2     A   7           H2         A   7  -2.978   6.160   1.406
   79   1H5*    G   8          H5*         G   8  -6.876   4.746  -4.804
   80   2H5*    G   8          2H5*        G   8  -7.161   4.525  -3.067
   81    H4*    G   8           H4*        G   8  -7.280   7.283  -3.520
   82    H3*    G   8           H3*        G   8  -5.187   6.070  -5.265
   83    H2*    G   8          1H2*        G   8  -3.536   7.617  -4.460
   84   2HO*    G   8          2HO*        G   8  -4.241   9.551  -3.929
   85    H1*    G   8           H1*        G   8  -4.077   7.310  -1.792
   86    H8     G   8           H8         G   8  -4.975   3.992  -2.865
   87    H1     G   8           H1         G   8   1.341   4.938  -3.424
   88   1H2     G   8          1H2         G   8   0.552   8.281  -3.036
   89   2H2     G   8          2H2         G   8   1.807   7.085  -3.291
   90   1H5*    G   9          H5*         G   9  -4.688   9.884  -5.686
   91   2H5*    G   9          2H5*        G   9  -5.030  10.530  -7.303
   92    H4*    G   9           H4*        G   9  -3.016  11.511  -6.666
   93    H3*    G   9           H3*        G   9  -2.576   9.271  -8.610
   94    H2*    G   9          1H2*        G   9  -0.188   9.639  -8.468
   95   2HO*    G   9          2HO*        G   9  -0.942  12.084  -7.806
   96    H1*    G   9           H1*        G   9  -0.107   9.645  -5.712
   97    H8     G   9           H8         G   9  -2.943   7.404  -6.208
   98    H1     G   9           H1         G   9   2.581   4.619  -7.877
   99   1H2     G   9          1H2         G   9   3.890   7.815  -7.750
  100   2H2     G   9          2H2         G   9   4.177   6.119  -8.068
  101   1H5*    C  10          H5*         C  10  -0.194  11.815  -9.614
  102   2H5*    C  10          2H5*        C  10  -0.391  12.694 -11.142
  103    H4*    C  10           H4*        C  10   1.849  12.162 -11.116
  104    H3*    C  10           H3*        C  10   0.385  10.168 -12.809
  105    H2*    C  10          1H2*        C  10   2.455   9.002 -13.191
  106   2HO*    C  10          2HO*        C  10   3.455  11.460 -12.663
  107    H1*    C  10           H1*        C  10   3.345   9.132 -10.541
  108   1H4     C  10          1H4         C  10  -1.153   4.303 -10.654
  109   2H4     C  10          2H4         C  10   0.386   3.546 -10.970
  110    H5     C  10           H5         C  10  -1.408   6.717 -10.473
  111    H6     C  10           H6         C  10  -0.238   8.854 -10.579
  112   1H5*    U  11          H5*         U  11   3.272  10.873 -14.674
  113   2H5*    U  11          2H5*        U  11   3.368  11.305 -16.393
  114    H4*    U  11           H4*        U  11   4.558   9.283 -16.104
  115    H3*    U  11           H3*        U  11   1.972   9.047 -17.560
  116    H2*    U  11          1H2*        U  11   1.946   6.705 -17.449
  117   2HO*    U  11          2HO*        U  11   3.795   5.513 -17.525
  118    H1*    U  11           H1*        U  11   3.725   6.425 -15.147
  119    H3     U  11           H3         U  11   0.297   3.578 -14.298
  120    H5     U  11           H5         U  11  -1.210   7.434 -13.497
  121    H6     U  11           H6         U  11   0.788   8.329 -14.487
  122   1H5*    U  12          H5*         U  12   1.698   7.230 -20.504
  123   2H5*    U  12          2H5*        U  12   3.144   7.068 -19.489
  124    H4*    U  12           H4*        U  12   2.793   6.444 -22.403
  125    H3*    U  12           H3*        U  12   2.538   4.668 -20.472
  126    H2*    U  12          1H2*        U  12   4.566   5.131 -19.250
  127   2HO*    U  12          2HO*        U  12   4.695   3.018 -20.977
  128    H1*    U  12           H1*        U  12   6.184   5.277 -21.830
  129    H3     U  12           H3         U  12   9.638   6.386 -19.193
  130    H5     U  12           H5         U  12   6.681   9.180 -18.164
  131    H6     U  12           H6         U  12   5.158   7.974 -19.582
  132   1H5*    C  13          H5*         C  13   3.595   1.355 -20.063
  133   2H5*    C  13          2H5*        C  13   2.666   0.488 -21.300
  134    H4*    C  13           H4*        C  13   2.351  -0.283 -18.939
  135    H3*    C  13           H3*        C  13   0.532  -0.536 -20.842
  136    H2*    C  13          1H2*        C  13  -0.381   1.737 -20.615
  137   2HO*    C  13          2HO*        C  13  -2.209   1.080 -18.838
  138    H1*    C  13           H1*        C  13  -0.465   1.216 -17.588
  139   1H4     C  13          1H4         C  13  -0.511   7.775 -18.268
  140   2H4     C  13          2H4         C  13  -1.992   7.348 -17.443
  141    H5     C  13           H5         C  13   1.025   6.113 -19.128
  142    H6     C  13           H6         C  13   1.467   3.726 -19.333
  143   1H5*    G  14          H5*         G  14   0.288  -3.573 -16.173
  144   2H5*    G  14          2H5*        G  14   0.749  -2.076 -16.999
  145    H4*    G  14           H4*        G  14   2.047  -4.726 -17.584
  146    H3*    G  14           H3*        G  14   2.728  -2.792 -15.385
  147    H2*    G  14          1H2*        G  14   5.061  -3.126 -15.848
  148   2HO*    G  14          2HO*        G  14   4.185  -5.504 -16.641
  149    H1*    G  14           H1*        G  14   4.789  -3.071 -18.641
  150    H8     G  14           H8         G  14   6.469  -1.144 -18.460
  151    H1     G  14           H1         G  14   2.120   2.505 -15.479
  152   1H2     G  14          1H2         G  14   0.227  -0.399 -15.368
  153   2H2     G  14          2H2         G  14   0.331   1.301 -14.969
  154   1H5*    G  15          H5*         G  15   5.495  -4.480 -14.411
  155   2H5*    G  15          2H5*        G  15   5.649  -4.564 -12.646
  156    H4*    G  15           H4*        G  15   7.215  -2.987 -13.734
  157    H3*    G  15           H3*        G  15   5.329  -2.010 -11.621
  158    H2*    G  15          1H2*        G  15   6.263   0.202 -11.851
  159   2HO*    G  15          2HO*        G  15   8.346   0.172 -12.335
  160    H1*    G  15           H1*        G  15   6.075   0.260 -14.604
  161    H8     G  15           H8         G  15   3.242  -1.872 -13.713
  162    H1     G  15           H1         G  15   2.181   4.257 -12.213
  163   1H2     G  15          1H2         G  15   5.555   4.660 -12.774
  164   2H2     G  15          2H2         G  15   4.040   5.402 -12.322
  165   1H5*    C  16          H5*         C  16   9.223  -0.196 -10.681
  166   2H5*    C  16          2H5*        C  16   9.373  -0.388  -8.924
  167    H4*    C  16           H4*        C  16   9.692   1.933  -9.740
  168    H3*    C  16           H3*        C  16   7.560   1.357  -7.699
  169    H2*    C  16          1H2*        C  16   7.010   3.704  -7.682
  170   2HO*    C  16          2HO*        C  16   9.580   3.885  -8.564
  171    H1*    C  16           H1*        C  16   7.116   4.021 -10.464
  172   1H4     C  16          1H4         C  16   1.272   1.176  -9.433
  173   2H4     C  16          2H4         C  16   1.019   2.890  -9.171
  174    H5     C  16           H5         C  16   3.487   0.235  -9.759
  175    H6     C  16           H6         C  16   5.863   0.752  -9.953
  176   1H5*    C  17          H5*         C  17   8.826   5.038  -6.991
  177   2H5*    C  17          2H5*        C  17  10.064   4.793  -5.744
  178    H4*    C  17           H4*        C  17   9.152   6.793  -5.124
  179    H3*    C  17           H3*        C  17   7.830   4.625  -3.536
  180    H2*    C  17          1H2*        C  17   6.397   6.259  -2.500
  181   2HO*    C  17          2HO*        C  17   8.426   7.876  -3.143
  182    H1*    C  17           H1*        C  17   5.672   7.508  -4.856
  183   1H4     C  17          1H4         C  17   2.666   1.637  -5.263
  184   2H4     C  17          2H4         C  17   1.467   2.752  -4.659
  185    H5     C  17           H5         C  17   4.978   2.250  -5.610
  186    H6     C  17           H6         C  17   6.606   4.058  -5.468
  187   1H5*    U  18          H5*         U  18   8.366   7.244  -0.600
  188   2H5*    U  18          2H5*        U  18  10.034   6.920  -0.096
  189    H4*    U  18           H4*        U  18   9.444   6.395   2.054
  190    H3*    U  18           H3*        U  18   7.445   4.834   1.373
  191    H2*    U  18          1H2*        U  18   5.930   6.453   0.452
  192   2HO*    U  18          2HO*        U  18   5.283   6.925   3.174
  193    H1*    U  18           H1*        U  18   6.403   8.458   2.674
  194    H3     U  18           H3         U  18   5.184  12.021   0.328
  195    H5     U  18           H5         U  18   5.803   9.130  -2.653
  196    H6     U  18           H6         U  18   6.536   7.621  -0.940
  197   1H5*    U  19          H5*         U  19   3.757   4.751   5.342
  198   2H5*    U  19          2H5*        U  19   4.065   5.555   3.789
  199    H4*    U  19           H4*        U  19   4.678   7.085   6.247
  200    H3*    U  19           H3*        U  19   1.876   6.250   5.641
  201    H2*    U  19          1H2*        U  19   1.084   8.500   5.814
  202   2HO*    U  19          2HO*        U  19   3.014   8.658   7.593
  203    H1*    U  19           H1*        U  19   3.243   9.752   4.543
  204    H3     U  19           H3         U  19  -0.370  10.163   1.799
  205    H5     U  19           H5         U  19   1.268   6.397   0.937
  206    H6     U  19           H6         U  19   2.714   6.673   2.840
  207   1H5*    G  20          H5*         G  20   0.151   8.767   7.446
  208   2H5*    G  20          2H5*        G  20  -0.234   8.057   9.025
  209    H4*    G  20           H4*        G  20  -2.226   8.978   8.165
  210    H3*    G  20           H3*        G  20  -2.137   5.992   8.153
  211    H2*    G  20          1H2*        G  20  -4.310   5.903   7.098
  212   2HO*    G  20          2HO*        G  20  -4.551   8.316   8.217
  213    H1*    G  20           H1*        G  20  -3.698   7.669   5.090
  214    H8     G  20           H8         G  20  -0.345   6.409   5.662
  215    H1     G  20           H1         G  20  -4.071   1.971   2.922
  216   1H2     G  20          1H2         G  20  -6.680   4.046   3.842
  217   2H2     G  20          2H2         G  20  -6.194   2.547   3.084
  218   1H5*    U  21          H5*         U  21  -5.534   6.263   9.547
  219   2H5*    U  21          2H5*        U  21  -5.881   5.547  11.134
  220    H4*    U  21           H4*        U  21  -7.345   4.588   9.511
  221    H3*    U  21           H3*        U  21  -5.256   2.740  10.609
  222    H2*    U  21          1H2*        U  21  -6.049   0.981   9.184
  223   2HO*    U  21          2HO*        U  21  -8.132   0.939   8.790
  224    H1*    U  21           H1*        U  21  -6.366   2.563   6.897
  225    H3     U  21           H3         U  21  -2.764  -0.256   6.361
  226    H5     U  21           H5         U  21  -1.273   3.258   8.085
  227    H6     U  21           H6         U  21  -3.545   3.964   8.449
  228   1H5*    U  22          H5*         U  22  -9.059   1.014  10.502
  229   2H5*    U  22          2H5*        U  22  -9.588   0.547  12.130
  230    H4*    U  22           H4*        U  22 -10.298  -1.222  10.857
  231    H3*    U  22           H3*        U  22  -7.641  -1.939  12.056
  232    H2*    U  22          1H2*        U  22  -7.733  -4.061  10.904
  233   2HO*    U  22          2HO*        U  22 -10.313  -3.716  11.098
  234    H1*    U  22           H1*        U  22  -8.443  -2.986   8.452
  235    H3     U  22           H3         U  22  -4.035  -3.823   7.945
  236    H5     U  22           H5         U  22  -4.163  -0.273  10.173
  237    H6     U  22           H6         U  22  -6.542  -0.581  10.382
  238   1H5*    U  23          H5*         U  23 -10.106  -5.023  12.661
  239   2H5*    U  23          2H5*        U  23 -10.135  -5.756  14.277
  240    H4*    U  23           H4*        U  23  -9.713  -7.504  12.771
  241    H3*    U  23           H3*        U  23  -7.236  -6.678  14.253
  242    H2*    U  23          1H2*        U  23  -5.991  -8.353  13.047
  243   2HO*    U  23          2HO*        U  23  -6.983 -10.071  12.280
  244    H1*    U  23           H1*        U  23  -7.040  -7.715  10.553
  245    H3     U  23           H3         U  23  -2.874  -5.975  10.470
  246    H5     U  23           H5         U  23  -5.128  -3.199  12.677
  247    H6     U  23           H6         U  23  -6.941  -4.780  12.658
  248   1H5*    C  24          H5*         C  24  -7.487 -10.634  13.916
  249   2H5*    C  24          2H5*        C  24  -7.329 -11.545  15.430
  250    H4*    C  24           H4*        C  24  -5.929 -12.568  13.816
  251    H3*    C  24           H3*        C  24  -4.427 -11.069  15.939
  252    H2*    C  24          1H2*        C  24  -2.352 -11.704  14.876
  253   2HO*    C  24          2HO*        C  24  -3.932 -13.674  13.898
  254    H1*    C  24           H1*        C  24  -3.153 -10.998  12.320
  255   1H4     C  24          1H4         C  24  -2.310  -5.213  15.375
  256   2H4     C  24          2H4         C  24  -0.743  -5.646  14.720
  257    H5     C  24           H5         C  24  -4.209  -6.715  15.295
  258    H6     C  24           H6         C  24  -4.981  -8.914  14.581
  259   1H5*    C  25          H5*         C  25  -2.028 -14.125  15.401
  260   2H5*    C  25          2H5*        C  25  -2.111 -15.154  16.846
  261    H4*    C  25           H4*        C  25   0.165 -14.933  16.314
  262    H3*    C  25           H3*        C  25  -0.643 -13.313  18.699
  263    H2*    C  25          1H2*        C  25   1.571 -12.410  18.877
  264   2HO*    C  25          2HO*        C  25   2.380 -14.653  18.113
  265    H1*    C  25           H1*        C  25   1.932 -11.935  16.149
  266   1H4     C  25          1H4         C  25  -1.968  -7.016  18.172
  267   2H4     C  25          2H4         C  25  -0.323  -6.466  18.427
  268    H5     C  25           H5         C  25  -2.485  -9.278  17.446
  269    H6     C  25           H6         C  25  -1.536 -11.441  16.840
  270    H3T    C  25           H3T        C  25  -0.082 -15.758  18.274
  Start of MODEL    4
    1   1H5*    G   1          H5*         G   1   6.817   0.564  15.599
    2   2H5*    G   1          2H5*        G   1   6.689  -0.482  17.026
    3    H4*    G   1           H4*        G   1   9.141  -0.842  15.461
    4    H3*    G   1           H3*        G   1   6.500  -1.259  14.106
    5    H2*    G   1          1H2*        G   1   7.291  -3.381  13.253
    6   2HO*    G   1          2HO*        G   1   9.663  -2.239  13.547
    7    H1*    G   1           H1*        G   1   8.193  -4.301  15.683
    8    H8     G   1           H8         G   1   5.296  -1.828  15.973
    9    H1     G   1           H1         G   1   3.578  -7.981  15.477
   10   1H2     G   1          1H2         G   1   6.926  -8.565  14.883
   11   2H2     G   1          2H2         G   1   5.314  -9.232  15.047
   12    H5T    G   1           H5T        G   1   8.810   0.234  17.609
   13   1H5*    G   2          H5*         G   2   9.359  -2.095  11.348
   14   2H5*    G   2          2H5*        G   2   9.046  -1.455   9.723
   15    H4*    G   2           H4*        G   2   9.394  -3.798   9.553
   16    H3*    G   2           H3*        G   2   6.547  -2.964   9.089
   17    H2*    G   2          1H2*        G   2   5.981  -5.289   8.715
   18   2HO*    G   2          2HO*        G   2   8.783  -5.786   9.016
   19    H1*    G   2           H1*        G   2   7.275  -6.222  10.973
   20    H8     G   2           H8         G   2   6.067  -2.765  11.764
   21    H1     G   2           H1         G   2   1.522  -7.252  12.279
   22   1H2     G   2          1H2         G   2   3.822  -9.316  10.705
   23   2H2     G   2          2H2         G   2   2.223  -9.153  11.401
   24   1H5*    A   3          H5*         A   3   7.582  -5.456   6.173
   25   2H5*    A   3          2H5*        A   3   7.327  -4.913   4.503
   26    H4*    A   3           H4*        A   3   6.364  -7.020   4.572
   27    H3*    A   3           H3*        A   3   4.280  -4.883   4.737
   28    H2*    A   3          1H2*        A   3   2.558  -6.529   5.060
   29   2HO*    A   3          2HO*        A   3   2.831  -8.407   4.136
   30    H1*    A   3           H1*        A   3   3.890  -8.012   6.968
   31    H8     A   3           H8         A   3   4.873  -4.375   7.278
   32   1H6     A   3          1H6         A   3   1.423  -2.967  10.376
   33   2H6     A   3          2H6         A   3  -0.034  -3.717  10.983
   34    H2     A   3           H2         A   3  -0.239  -7.793   9.107
   35   1H5*    A   4          H5*         A   4   3.201  -7.987   2.451
   36   2H5*    A   4          2H5*        A   4   2.529  -7.664   0.841
   37    H4*    A   4           H4*        A   4   1.094  -9.205   1.905
   38    H3*    A   4           H3*        A   4  -0.047  -6.446   1.681
   39    H2*    A   4          1H2*        A   4  -2.033  -7.166   2.856
   40   2HO*    A   4          2HO*        A   4  -1.492  -9.470   1.825
   41    H1*    A   4           H1*        A   4  -0.687  -8.406   4.917
   42    H8     A   4           H8         A   4   1.529  -5.608   3.772
   43   1H6     A   4          1H6         A   4  -0.262  -2.057   6.538
   44   2H6     A   4          2H6         A   4  -1.693  -1.896   7.531
   45    H2     A   4           H2         A   4  -3.872  -5.814   7.226
   46   1H5*    G   5          H5*         G   5  -3.061  -8.573   0.582
   47   2H5*    G   5          2H5*        G   5  -3.864  -8.112  -0.931
   48    H4*    G   5           H4*        G   5  -5.510  -8.019   0.736
   49    H3*    G   5           H3*        G   5  -4.564  -5.243   0.036
   50    H2*    G   5          1H2*        G   5  -6.233  -4.405   1.575
   51   2HO*    G   5          2HO*        G   5  -7.974  -5.575   1.955
   52    H1*    G   5           H1*        G   5  -5.593  -6.238   3.594
   53    H8     G   5           H8         G   5  -2.321  -5.425   2.118
   54    H1     G   5           H1         G   5  -4.675  -0.656   5.702
   55   1H2     G   5          1H2         G   5  -7.642  -2.396   5.515
   56   2H2     G   5          2H2         G   5  -6.797  -0.982   6.106
   57   1H5*    C   6          H5*         C   6  -8.422  -4.797   0.450
   58   2H5*    C   6          2H5*        C   6  -9.148  -4.555  -1.151
   59    H4*    C   6           H4*        C   6 -10.241  -2.991   0.116
   60    H3*    C   6           H3*        C   6  -7.972  -1.691  -1.326
   61    H2*    C   6          1H2*        C   6  -8.345   0.380  -0.180
   62   2HO*    C   6          2HO*        C   6 -10.817  -0.348  -0.267
   63    H1*    C   6           H1*        C   6  -8.812  -0.712   2.350
   64   1H4     C   6          1H4         C   6  -2.265  -0.957   1.700
   65   2H4     C   6          2H4         C   6  -2.599   0.488   2.624
   66    H5     C   6           H5         C   6  -3.984  -2.335   0.723
   67    H6     C   6           H6         C   6  -6.389  -2.630   0.452
   68   1H5*    A   7          H5*         A   7  -7.586   1.288  -3.835
   69   2H5*    A   7          2H5*        A   7  -7.556   0.475  -2.258
   70    H4*    A   7           H4*        A   7  -9.413   2.715  -2.359
   71    H3*    A   7           H3*        A   7  -6.603   3.260  -3.203
   72    H2*    A   7          1H2*        A   7  -6.390   5.047  -1.612
   73   2HO*    A   7          2HO*        A   7  -8.970   5.276  -2.019
   74    H1*    A   7           H1*        A   7  -7.543   3.733   0.532
   75    H8     A   7           H8         A   7  -5.914   0.847  -0.910
   76   1H6     A   7          1H6         A   7  -1.333   1.579   0.529
   77   2H6     A   7          2H6         A   7  -0.488   2.970   1.179
   78    H2     A   7           H2         A   7  -3.457   6.314   1.389
   79   1H5*    G   8          H5*         G   8  -7.243   6.734  -2.429
   80   2H5*    G   8          2H5*        G   8  -7.435   7.692  -3.910
   81    H4*    G   8           H4*        G   8  -5.908   8.822  -2.497
   82    H3*    G   8           H3*        G   8  -4.753   7.643  -4.974
   83    H2*    G   8          1H2*        G   8  -2.512   8.179  -4.303
   84   2HO*    G   8          2HO*        G   8  -3.751  10.147  -3.043
   85    H1*    G   8           H1*        G   8  -2.711   7.347  -1.676
   86    H8     G   8           H8         G   8  -4.942   5.056  -3.545
   87    H1     G   8           H1         G   8   1.259   3.521  -4.104
   88   1H2     G   8          1H2         G   8   1.858   6.617  -2.713
   89   2H2     G   8          2H2         G   8   2.528   5.136  -3.359
   90   1H5*    G   9          H5*         G   9  -2.874  10.930  -4.615
   91   2H5*    G   9          2H5*        G   9  -3.054  12.133  -5.906
   92    H4*    G   9           H4*        G   9  -0.776  11.975  -5.698
   93    H3*    G   9           H3*        G   9  -1.607  10.110  -7.909
   94    H2*    G   9          1H2*        G   9   0.721   9.565  -8.215
   95   2HO*    G   9          2HO*        G   9   2.000  11.240  -7.887
   96    H1*    G   9           H1*        G   9   1.255   9.294  -5.477
   97    H8     G   9           H8         G   9  -2.164   8.037  -6.610
   98    H1     G   9           H1         G   9   2.544   3.686  -6.810
   99   1H2     G   9          1H2         G   9   4.619   6.368  -6.065
  100   2H2     G   9          2H2         G   9   4.488   4.656  -6.391
  101   1H5*    C  10          H5*         C  10   1.413  12.550  -9.222
  102   2H5*    C  10          2H5*        C  10   1.344  13.012 -10.934
  103    H4*    C  10           H4*        C  10   3.420  11.942 -10.556
  104    H3*    C  10           H3*        C  10   1.497  10.245 -12.117
  105    H2*    C  10          1H2*        C  10   3.200   8.535 -12.248
  106   2HO*    C  10          2HO*        C  10   4.803  10.678 -11.825
  107    H1*    C  10           H1*        C  10   3.878   8.661  -9.551
  108   1H4     C  10          1H4         C  10  -1.934   5.524  -9.992
  109   2H4     C  10          2H4         C  10  -0.719   4.332  -9.629
  110    H5     C  10           H5         C  10  -1.397   7.877 -10.297
  111    H6     C  10           H6         C  10   0.414   9.503 -10.404
  112   1H5*    U  11          H5*         U  11   4.546   9.677 -13.780
  113   2H5*    U  11          2H5*        U  11   4.784  10.014 -15.505
  114    H4*    U  11           H4*        U  11   5.396   7.809 -15.342
  115    H3*    U  11           H3*        U  11   2.530   7.933 -16.228
  116    H2*    U  11          1H2*        U  11   2.457   5.528 -16.238
  117   2HO*    U  11          2HO*        U  11   4.288   4.315 -16.174
  118    H1*    U  11           H1*        U  11   3.831   5.208 -13.809
  119    H3     U  11           H3         U  11  -0.310   4.051 -12.554
  120    H5     U  11           H5         U  11  -0.586   8.210 -13.196
  121    H6     U  11           H6         U  11   1.666   8.142 -14.036
  122   1H5*    U  12          H5*         U  12   3.589   7.466 -21.276
  123   2H5*    U  12          2H5*        U  12   1.867   7.039 -21.282
  124    H4*    U  12           H4*        U  12   2.830   5.256 -22.358
  125    H3*    U  12           H3*        U  12   1.591   4.556 -20.104
  126    H2*    U  12          1H2*        U  12   3.493   4.703 -18.619
  127   2HO*    U  12          2HO*        U  12   4.438   2.288 -19.053
  128    H1*    U  12           H1*        U  12   5.204   3.299 -20.737
  129    H3     U  12           H3         U  12   8.607   3.537 -17.827
  130    H5     U  12           H5         U  12   7.212   7.491 -18.031
  131    H6     U  12           H6         U  12   5.406   6.702 -19.409
  132   1H5*    C  13          H5*         C  13   2.346   0.978 -19.414
  133   2H5*    C  13          2H5*        C  13   1.082  -0.073 -20.084
  134    H4*    C  13           H4*        C  13   1.359  -0.465 -17.719
  135    H3*    C  13           H3*        C  13  -1.071  -0.336 -18.801
  136    H2*    C  13          1H2*        C  13  -1.421   2.046 -18.506
  137   2HO*    C  13          2HO*        C  13  -2.372   1.947 -16.071
  138    H1*    C  13           H1*        C  13  -0.294   1.781 -15.669
  139   1H4     C  13          1H4         C  13   0.470   8.094 -17.444
  140   2H4     C  13          2H4         C  13  -0.449   8.081 -15.955
  141    H5     C  13           H5         C  13   1.102   6.057 -18.602
  142    H6     C  13           H6         C  13   0.995   3.619 -18.549
  143   1H5*    G  14          H5*         G  14   0.263  -2.169 -18.565
  144   2H5*    G  14          2H5*        G  14   0.008  -3.841 -19.096
  145    H4*    G  14           H4*        G  14   1.625  -4.657 -17.791
  146    H3*    G  14           H3*        G  14   0.749  -2.755 -15.630
  147    H2*    G  14          1H2*        G  14   2.927  -2.870 -14.671
  148   2HO*    G  14          2HO*        G  14   2.758  -5.347 -15.327
  149    H1*    G  14           H1*        G  14   4.319  -3.189 -17.169
  150    H8     G  14           H8         G  14   5.666  -1.094 -17.533
  151    H1     G  14           H1         G  14   1.654   2.375 -13.917
  152   1H2     G  14          1H2         G  14  -0.285  -0.498 -13.878
  153   2H2     G  14          2H2         G  14  -0.103   1.167 -13.366
  154   1H5*    G  15          H5*         G  15   2.544  -5.374 -12.561
  155   2H5*    G  15          2H5*        G  15   1.882  -4.369 -11.258
  156    H4*    G  15           H4*        G  15   4.330  -4.097 -12.728
  157    H3*    G  15           H3*        G  15   3.204  -2.960 -10.213
  158    H2*    G  15          1H2*        G  15   4.660  -1.056 -10.342
  159   2HO*    G  15          2HO*        G  15   6.300  -2.678 -11.466
  160    H1*    G  15           H1*        G  15   4.233  -0.497 -13.009
  161    H8     G  15           H8         G  15   1.009  -1.924 -11.935
  162    H1     G  15           H1         G  15   1.826   4.096  -9.912
  163   1H2     G  15          1H2         G  15   5.112   3.651 -10.875
  164   2H2     G  15          2H2         G  15   3.906   4.721 -10.195
  165   1H5*    C  16          H5*         C  16   7.419  -2.338  -9.513
  166   2H5*    C  16          2H5*        C  16   7.703  -3.312  -8.057
  167    H4*    C  16           H4*        C  16   8.633  -1.201  -7.630
  168    H3*    C  16           H3*        C  16   6.050  -1.647  -6.181
  169    H2*    C  16          1H2*        C  16   6.164   0.581  -5.273
  170   2HO*    C  16          2HO*        C  16   8.173   1.189  -4.867
  171    H1*    C  16           H1*        C  16   6.751   1.827  -7.666
  172   1H4     C  16          1H4         C  16   0.429  -0.008  -8.246
  173   2H4     C  16          2H4         C  16   0.430   1.653  -7.678
  174    H5     C  16           H5         C  16   2.478  -1.285  -8.506
  175    H6     C  16           H6         C  16   4.902  -1.230  -8.265
  176   1H5*    C  17          H5*         C  17   9.148  -0.477  -2.978
  177   2H5*    C  17          2H5*        C  17   8.449  -1.052  -1.452
  178    H4*    C  17           H4*        C  17   8.920   1.377  -1.518
  179    H3*    C  17           H3*        C  17   6.106   0.465  -0.961
  180    H2*    C  17          1H2*        C  17   5.519   2.790  -0.651
  181   2HO*    C  17          2HO*        C  17   8.223   2.967  -0.310
  182    H1*    C  17           H1*        C  17   6.695   3.601  -3.023
  183   1H4     C  17          1H4         C  17   1.461   0.067  -4.960
  184   2H4     C  17          2H4         C  17   0.982   1.740  -5.095
  185    H5     C  17           H5         C  17   3.564  -0.644  -4.034
  186    H6     C  17           H6         C  17   5.672   0.106  -3.073
  187   1H5*    U  18          H5*         U  18   8.008   3.585   1.437
  188   2H5*    U  18          2H5*        U  18   8.389   2.562   2.835
  189    H4*    U  18           H4*        U  18   7.973   4.222   4.206
  190    H3*    U  18           H3*        U  18   5.438   3.534   3.891
  191    H2*    U  18          1H2*        U  18   4.932   4.737   1.884
  192   2HO*    U  18          2HO*        U  18   4.403   6.284   4.171
  193    H1*    U  18           H1*        U  18   6.442   7.203   2.834
  194    H3     U  18           H3         U  18   6.990   9.010  -1.183
  195    H5     U  18           H5         U  18   5.830   5.078  -2.085
  196    H6     U  18           H6         U  18   5.907   4.586   0.255
  197   1H5*    U  19          H5*         U  19   4.724   7.773   5.072
  198   2H5*    U  19          2H5*        U  19   4.644   7.523   6.826
  199    H4*    U  19           H4*        U  19   3.101   9.123   6.760
  200    H3*    U  19           H3*        U  19   1.507   6.717   5.939
  201    H2*    U  19          1H2*        U  19  -0.383   8.148   5.494
  202   2HO*    U  19          2HO*        U  19   0.920   9.729   7.264
  203    H1*    U  19           H1*        U  19   1.063  10.090   4.117
  204    H3     U  19           H3         U  19  -0.943   8.032   0.671
  205    H5     U  19           H5         U  19   1.902   5.233   1.973
  206    H6     U  19           H6         U  19   2.378   6.692   3.824
  207   1H5*    G  20          H5*         G  20  -0.815   8.891   7.638
  208   2H5*    G  20          2H5*        G  20  -1.416   8.422   9.239
  209    H4*    G  20           H4*        G  20  -3.269   9.254   8.096
  210    H3*    G  20           H3*        G  20  -3.285   6.265   8.240
  211    H2*    G  20          1H2*        G  20  -5.334   6.216   6.951
  212   2HO*    G  20          2HO*        G  20  -5.457   8.795   7.828
  213    H1*    G  20           H1*        G  20  -4.406   7.857   4.954
  214    H8     G  20           H8         G  20  -1.228   6.416   6.001
  215    H1     G  20           H1         G  20  -4.862   2.127   2.921
  216   1H2     G  20          1H2         G  20  -7.420   4.408   3.417
  217   2H2     G  20          2H2         G  20  -6.943   2.852   2.778
  218   1H5*    U  21          H5*         U  21  -6.725   6.637   8.914
  219   2H5*    U  21          2H5*        U  21  -7.464   5.833  10.312
  220    H4*    U  21           H4*        U  21  -8.450   4.905   8.386
  221    H3*    U  21           H3*        U  21  -6.505   3.055   9.721
  222    H2*    U  21          1H2*        U  21  -6.905   1.411   8.005
  223   2HO*    U  21          2HO*        U  21  -9.257   2.569   7.909
  224    H1*    U  21           H1*        U  21  -6.747   3.184   5.870
  225    H3     U  21           H3         U  21  -2.882   0.710   5.989
  226    H5     U  21           H5         U  21  -2.181   4.084   8.368
  227    H6     U  21           H6         U  21  -4.530   4.591   8.215
  228   1H5*    U  22          H5*         U  22 -10.229   0.477   9.921
  229   2H5*    U  22          2H5*        U  22 -10.167  -0.122  11.589
  230    H4*    U  22           H4*        U  22 -10.339  -1.965  10.053
  231    H3*    U  22           H3*        U  22  -7.708  -1.773  11.501
  232    H2*    U  22          1H2*        U  22  -7.013  -3.785  10.376
  233   2HO*    U  22          2HO*        U  22  -8.444  -5.187   9.660
  234    H1*    U  22           H1*        U  22  -7.954  -3.004   7.863
  235    H3     U  22           H3         U  22  -3.382  -2.885   7.961
  236    H5     U  22           H5         U  22  -4.673   0.915   9.199
  237    H6     U  22           H6         U  22  -6.901   0.013   9.350
  238   1H5*    U  23          H5*         U  23  -9.227  -5.642  11.293
  239   2H5*    U  23          2H5*        U  23  -9.047  -6.528  12.820
  240    H4*    U  23           H4*        U  23  -8.232  -7.843  10.966
  241    H3*    U  23           H3*        U  23  -6.152  -6.953  12.948
  242    H2*    U  23          1H2*        U  23  -4.500  -8.160  11.668
  243   2HO*    U  23          2HO*        U  23  -5.163  -9.920  10.687
  244    H1*    U  23           H1*        U  23  -5.428  -7.278   9.171
  245    H3     U  23           H3         U  23  -1.479  -5.141   9.831
  246    H5     U  23           H5         U  23  -4.319  -2.882  11.950
  247    H6     U  23           H6         U  23  -5.895  -4.659  11.570
  248   1H5*    C  24          H5*         C  24  -5.848 -10.857  12.117
  249   2H5*    C  24          2H5*        C  24  -5.876 -11.964  13.504
  250    H4*    C  24           H4*        C  24  -4.128 -12.709  12.154
  251    H3*    C  24           H3*        C  24  -3.117 -11.185  14.529
  252    H2*    C  24          1H2*        C  24  -0.855 -11.466  13.743
  253   2HO*    C  24          2HO*        C  24  -1.839 -13.647  12.691
  254    H1*    C  24           H1*        C  24  -1.388 -10.753  11.116
  255   1H4     C  24          1H4         C  24  -1.675  -5.076  14.480
  256   2H4     C  24          2H4         C  24  -0.076  -5.169  13.779
  257    H5     C  24           H5         C  24  -3.274  -6.893  14.316
  258    H6     C  24           H6         C  24  -3.657  -9.138  13.447
  259   1H5*    C  25          H5*         C  25  -1.021 -14.776  14.548
  260   2H5*    C  25          2H5*        C  25  -0.849 -15.514  16.153
  261    H4*    C  25           H4*        C  25   1.319 -15.237  15.230
  262    H3*    C  25           H3*        C  25   0.699 -13.390  17.507
  263    H2*    C  25          1H2*        C  25   2.847 -12.347  17.269
  264   2HO*    C  25          2HO*        C  25   4.305 -13.274  15.600
  265    H1*    C  25           H1*        C  25   2.798 -12.186  14.481
  266   1H4     C  25          1H4         C  25  -1.118  -7.307  16.598
  267   2H4     C  25          2H4         C  25   0.455  -6.603  16.291
  268    H5     C  25           H5         C  25  -1.525  -9.698  16.427
  269    H6     C  25           H6         C  25  -0.512 -11.861  15.929
  270    H3T    C  25           H3T        C  25   2.740 -15.246  17.406
  Start of MODEL    5
    1   1H5*    G   1          H5*         G   1   3.467   1.974  16.096
    2   2H5*    G   1          2H5*        G   1   4.305   2.888  17.362
    3    H4*    G   1           H4*        G   1   6.399   1.669  16.725
    4    H3*    G   1           H3*        G   1   4.556   0.195  14.886
    5    H2*    G   1          1H2*        G   1   5.554  -1.898  15.514
    6   2HO*    G   1          2HO*        G   1   7.687  -0.468  15.834
    7    H1*    G   1           H1*        G   1   5.576  -1.433  18.243
    8    H8     G   1           H8         G   1   2.504   0.281  17.242
    9    H1     G   1           H1         G   1   1.872  -6.094  17.048
   10   1H2     G   1          1H2         G   1   5.326  -6.130  17.273
   11   2H2     G   1          2H2         G   1   3.850  -7.059  17.146
   12    H5T    G   1           H5T        G   1   4.384   4.097  15.505
   13   1H5*    G   2          H5*         G   2   8.531  -1.319  13.490
   14   2H5*    G   2          2H5*        G   2   8.403  -1.108  11.733
   15    H4*    G   2           H4*        G   2   9.061  -3.353  12.216
   16    H3*    G   2           H3*        G   2   6.301  -3.063  11.078
   17    H2*    G   2          1H2*        G   2   6.021  -5.460  11.216
   18   2HO*    G   2          2HO*        G   2   8.575  -5.528  10.906
   19    H1*    G   2           H1*        G   2   6.876  -5.665  13.828
   20    H8     G   2           H8         G   2   5.389  -2.270  13.630
   21    H1     G   2           H1         G   2   0.971  -6.892  13.974
   22   1H2     G   2          1H2         G   2   3.631  -9.045  13.339
   23   2H2     G   2          2H2         G   2   1.910  -8.874  13.607
   24   1H5*    A   3          H5*         A   3   7.959  -6.023   8.212
   25   2H5*    A   3          2H5*        A   3   7.997  -5.037   6.737
   26    H4*    A   3           H4*        A   3   7.062  -7.033   6.044
   27    H3*    A   3           H3*        A   3   4.940  -4.972   6.476
   28    H2*    A   3          1H2*        A   3   3.225  -6.610   5.991
   29   2HO*    A   3          2HO*        A   3   3.698  -8.341   4.841
   30    H1*    A   3           H1*        A   3   4.153  -8.479   7.752
   31    H8     A   3           H8         A   3   5.451  -5.477   9.406
   32   1H6     A   3          1H6         A   3   1.454  -3.898  11.645
   33   2H6     A   3          2H6         A   3  -0.250  -4.274  11.495
   34    H2     A   3           H2         A   3  -0.559  -7.463   8.346
   35   1H5*    A   4          H5*         A   4   4.153  -7.101   3.198
   36   2H5*    A   4          2H5*        A   4   3.728  -6.215   1.721
   37    H4*    A   4           H4*        A   4   2.094  -7.904   2.098
   38    H3*    A   4           H3*        A   4   1.124  -5.097   2.490
   39    H2*    A   4          1H2*        A   4  -1.051  -5.936   3.125
   40   2HO*    A   4          2HO*        A   4  -0.202  -8.079   1.715
   41    H1*    A   4           H1*        A   4  -0.109  -7.796   4.925
   42    H8     A   4           H8         A   4   2.468  -5.166   5.178
   43   1H6     A   4          1H6         A   4   0.259  -2.151   8.255
   44   2H6     A   4          2H6         A   4  -1.392  -1.996   8.810
   45    H2     A   4           H2         A   4  -3.730  -5.272   6.833
   46   1H5*    G   5          H5*         G   5  -1.623  -7.280   0.623
   47   2H5*    G   5          2H5*        G   5  -2.058  -6.721  -1.004
   48    H4*    G   5           H4*        G   5  -4.056  -7.341   0.083
   49    H3*    G   5           H3*        G   5  -3.704  -4.416  -0.335
   50    H2*    G   5          1H2*        G   5  -5.652  -3.888   0.963
   51   2HO*    G   5          2HO*        G   5  -7.248  -5.291   1.144
   52    H1*    G   5           H1*        G   5  -5.147  -5.593   3.075
   53    H8     G   5           H8         G   5  -1.760  -4.607   1.976
   54    H1     G   5           H1         G   5  -4.727  -0.034   5.344
   55   1H2     G   5          1H2         G   5  -7.553  -1.925   4.802
   56   2H2     G   5          2H2         G   5  -6.873  -0.480   5.522
   57   1H5*    C   6          H5*         C   6  -7.591  -4.714  -0.568
   58   2H5*    C   6          2H5*        C   6  -8.108  -4.485  -2.250
   59    H4*    C   6           H4*        C   6  -9.571  -3.145  -1.112
   60    H3*    C   6           H3*        C   6  -7.340  -1.515  -2.211
   61    H2*    C   6          1H2*        C   6  -8.032   0.447  -1.021
   62   2HO*    C   6          2HO*        C   6 -10.403  -0.597  -1.331
   63    H1*    C   6           H1*        C   6  -8.552  -0.767   1.414
   64   1H4     C   6          1H4         C   6  -1.982  -0.781   1.063
   65   2H4     C   6          2H4         C   6  -2.396   0.552   2.111
   66    H5     C   6           H5         C   6  -3.590  -2.086  -0.135
   67    H6     C   6           H6         C   6  -5.965  -2.441  -0.538
   68   1H5*    A   7          H5*         A   7  -8.682   2.508  -4.679
   69   2H5*    A   7          2H5*        A   7  -7.519   1.725  -3.592
   70    H4*    A   7           H4*        A   7  -9.966   3.226  -2.676
   71    H3*    A   7           H3*        A   7  -7.247   4.294  -3.276
   72    H2*    A   7          1H2*        A   7  -7.162   5.480  -1.186
   73   2HO*    A   7          2HO*        A   7  -9.761   5.548  -1.496
   74    H1*    A   7           H1*        A   7  -8.057   3.417   0.406
   75    H8     A   7           H8         A   7  -6.297   1.341  -1.973
   76   1H6     A   7          1H6         A   7  -1.696   2.057  -0.606
   77   2H6     A   7          2H6         A   7  -0.920   3.251   0.419
   78    H2     A   7           H2         A   7  -4.144   5.961   1.930
   79   1H5*    G   8          H5*         G   8  -7.669   7.569  -1.386
   80   2H5*    G   8          2H5*        G   8  -7.897   8.761  -2.681
   81    H4*    G   8           H4*        G   8  -6.098   9.558  -1.449
   82    H3*    G   8           H3*        G   8  -5.225   8.290  -4.004
   83    H2*    G   8          1H2*        G   8  -2.907   8.519  -3.409
   84   2HO*    G   8          2HO*        G   8  -3.693  10.634  -2.178
   85    H1*    G   8           H1*        G   8  -3.134   7.613  -0.810
   86    H8     G   8           H8         G   8  -5.717   5.756  -2.748
   87    H1     G   8           H1         G   8   0.194   3.350  -3.403
   88   1H2     G   8          1H2         G   8   1.226   6.276  -1.902
   89   2H2     G   8          2H2         G   8   1.685   4.740  -2.599
   90   1H5*    G   9          H5*         G   9  -2.990  11.656  -4.214
   91   2H5*    G   9          2H5*        G   9  -3.016  12.378  -5.834
   92    H4*    G   9           H4*        G   9  -0.775  11.734  -5.259
   93    H3*    G   9           H3*        G   9  -1.995  10.040  -7.438
   94    H2*    G   9          1H2*        G   9   0.143   8.951  -7.632
   95   2HO*    G   9          2HO*        G   9   1.913  10.013  -7.136
   96    H1*    G   9           H1*        G   9   0.543   8.775  -4.839
   97    H8     G   9           H8         G   9  -3.005   7.924  -5.365
   98    H1     G   9           H1         G   9   0.968   3.237  -7.206
   99   1H2     G   9          1H2         G   9   3.443   5.615  -6.872
  100   2H2     G   9          2H2         G   9   3.031   3.968  -7.287
  101   1H5*    C  10          H5*         C  10   1.901  11.382  -8.158
  102   2H5*    C  10          2H5*        C  10   1.896  12.327  -9.659
  103    H4*    C  10           H4*        C  10   3.863  11.122  -9.775
  104    H3*    C  10           H3*        C  10   1.761   9.716 -11.399
  105    H2*    C  10          1H2*        C  10   3.417   8.061 -11.986
  106   2HO*    C  10          2HO*        C  10   5.471   8.601 -11.983
  107    H1*    C  10           H1*        C  10   4.332   7.721  -9.379
  108   1H4     C  10          1H4         C  10  -1.557   4.721  -9.946
  109   2H4     C  10          2H4         C  10  -0.331   3.488 -10.008
  110    H5     C  10           H5         C  10  -1.003   7.095  -9.764
  111    H6     C  10           H6         C  10   0.823   8.710  -9.712
  112   1H5*    U  11          H5*         U  11   4.496   9.219 -13.625
  113   2H5*    U  11          2H5*        U  11   4.390   9.967 -15.231
  114    H4*    U  11           H4*        U  11   4.874   7.719 -15.628
  115    H3*    U  11           H3*        U  11   1.965   8.296 -16.102
  116    H2*    U  11          1H2*        U  11   1.629   5.990 -16.681
  117   2HO*    U  11          2HO*        U  11   3.434   4.589 -16.893
  118    H1*    U  11           H1*        U  11   3.235   4.954 -14.615
  119    H3     U  11           H3         U  11  -1.018   3.821 -13.534
  120    H5     U  11           H5         U  11  -0.573   7.811 -12.250
  121    H6     U  11           H6         U  11   1.536   7.857 -13.404
  122   1H5*    U  12          H5*         U  12   2.459   8.280 -21.413
  123   2H5*    U  12          2H5*        U  12   1.041   7.224 -21.257
  124    H4*    U  12           H4*        U  12   2.446   6.126 -22.746
  125    H3*    U  12           H3*        U  12   1.772   4.738 -20.548
  126    H2*    U  12          1H2*        U  12   3.730   5.228 -19.226
  127   2HO*    U  12          2HO*        U  12   4.100   2.945 -20.837
  128    H1*    U  12           H1*        U  12   5.457   4.879 -21.736
  129    H3     U  12           H3         U  12   9.040   5.701 -19.167
  130    H5     U  12           H5         U  12   6.460   8.901 -18.303
  131    H6     U  12           H6         U  12   4.798   7.827 -19.668
  132   1H5*    C  13          H5*         C  13   2.962   1.387 -19.898
  133   2H5*    C  13          2H5*        C  13   1.992   0.366 -20.977
  134    H4*    C  13           H4*        C  13   1.815  -0.298 -18.630
  135    H3*    C  13           H3*        C  13  -0.260  -0.378 -20.305
  136    H2*    C  13          1H2*        C  13  -1.079   1.869 -19.887
  137   2HO*    C  13          2HO*        C  13  -2.699   1.492 -18.031
  138    H1*    C  13           H1*        C  13  -0.641   1.377 -16.895
  139   1H4     C  13          1H4         C  13  -0.606   7.921 -17.756
  140   2H4     C  13          2H4         C  13  -1.832   7.562 -16.560
  141    H5     C  13           H5         C  13   0.636   6.183 -18.908
  142    H6     C  13           H6         C  13   0.944   3.777 -19.141
  143   1H5*    G  14          H5*         G  14   1.193  -1.933 -19.959
  144   2H5*    G  14          2H5*        G  14   1.273  -3.438 -20.893
  145    H4*    G  14           H4*        G  14   2.754  -4.368 -19.521
  146    H3*    G  14           H3*        G  14   1.121  -3.324 -17.228
  147    H2*    G  14          1H2*        G  14   3.030  -3.333 -15.825
  148   2HO*    G  14          2HO*        G  14   3.434  -5.607 -16.893
  149    H1*    G  14           H1*        G  14   4.966  -2.974 -17.965
  150    H8     G  14           H8         G  14   6.276  -1.013 -17.189
  151    H1     G  14           H1         G  14   1.106   1.850 -14.697
  152   1H2     G  14          1H2         G  14  -0.602  -0.951 -15.868
  153   2H2     G  14          2H2         G  14  -0.690   0.579 -15.021
  154   1H5*    G  15          H5*         G  15   0.954  -5.155 -13.253
  155   2H5*    G  15          2H5*        G  15   0.813  -3.845 -14.443
  156    H4*    G  15           H4*        G  15   3.550  -4.668 -13.685
  157    H3*    G  15           H3*        G  15   1.697  -3.444 -11.673
  158    H2*    G  15          1H2*        G  15   3.461  -1.929 -11.000
  159   2HO*    G  15          2HO*        G  15   5.522  -2.270 -11.547
  160    H1*    G  15           H1*        G  15   4.003  -1.082 -13.552
  161    H8     G  15           H8         G  15   0.408  -2.175 -13.528
  162    H1     G  15           H1         G  15   1.349   3.689 -11.150
  163   1H2     G  15          1H2         G  15   4.690   2.890 -11.289
  164   2H2     G  15          2H2         G  15   3.474   4.081 -10.893
  165   1H5*    C  16          H5*         C  16   5.498  -3.575 -10.184
  166   2H5*    C  16          2H5*        C  16   5.527  -4.272  -8.553
  167    H4*    C  16           H4*        C  16   6.744  -2.183  -8.629
  168    H3*    C  16           H3*        C  16   4.259  -2.223  -6.941
  169    H2*    C  16          1H2*        C  16   4.663   0.069  -6.344
  170   2HO*    C  16          2HO*        C  16   7.133  -0.585  -6.499
  171    H1*    C  16           H1*        C  16   5.423   0.898  -8.924
  172   1H4     C  16          1H4         C  16  -1.185   0.781  -8.875
  173   2H4     C  16          2H4         C  16  -0.702   2.438  -8.586
  174    H5     C  16           H5         C  16   0.429  -1.031  -9.026
  175    H6     C  16           H6         C  16   2.797  -1.603  -8.923
  176   1H5*    C  17          H5*         C  17   7.816  -1.192  -4.395
  177   2H5*    C  17          2H5*        C  17   7.526  -1.794  -2.751
  178    H4*    C  17           H4*        C  17   8.155   0.602  -2.884
  179    H3*    C  17           H3*        C  17   5.583  -0.183  -1.546
  180    H2*    C  17          1H2*        C  17   5.165   2.143  -1.078
  181   2HO*    C  17          2HO*        C  17   7.822   2.257  -1.270
  182    H1*    C  17           H1*        C  17   5.720   3.009  -3.652
  183   1H4     C  17          1H4         C  17  -0.010  -0.130  -4.456
  184   2H4     C  17          2H4         C  17  -0.459   1.449  -3.864
  185    H5     C  17           H5         C  17   2.279  -0.892  -4.584
  186    H6     C  17           H6         C  17   4.607  -0.291  -4.182
  187   1H5*    U  18          H5*         U  18   7.849   2.793   0.482
  188   2H5*    U  18          2H5*        U  18   8.629   1.816   1.741
  189    H4*    U  18           H4*        U  18   8.237   3.332   3.285
  190    H3*    U  18           H3*        U  18   5.687   2.556   3.180
  191    H2*    U  18          1H2*        U  18   4.911   3.915   1.378
  192   2HO*    U  18          2HO*        U  18   4.736   5.357   3.806
  193    H1*    U  18           H1*        U  18   6.534   6.312   2.327
  194    H3     U  18           H3         U  18   6.323   8.496  -1.535
  195    H5     U  18           H5         U  18   5.317   4.577  -2.640
  196    H6     U  18           H6         U  18   5.744   3.899  -0.383
  197   1H5*    U  19          H5*         U  19   5.292   6.627   5.077
  198   2H5*    U  19          2H5*        U  19   5.040   6.204   6.780
  199    H4*    U  19           H4*        U  19   3.696   8.023   6.614
  200    H3*    U  19           H3*        U  19   1.931   5.676   5.965
  201    H2*    U  19          1H2*        U  19   0.111   7.225   5.604
  202   2HO*    U  19          2HO*        U  19   1.421   8.683   7.336
  203    H1*    U  19           H1*        U  19   1.603   8.998   4.057
  204    H3     U  19           H3         U  19  -0.772   6.962   0.838
  205    H5     U  19           H5         U  19   1.888   3.984   2.134
  206    H6     U  19           H6         U  19   2.607   5.485   3.866
  207   1H5*    G  20          H5*         G  20  -0.295   8.054   7.712
  208   2H5*    G  20          2H5*        G  20  -0.541   7.655   9.423
  209    H4*    G  20           H4*        G  20  -2.589   8.478   8.759
  210    H3*    G  20           H3*        G  20  -2.572   5.529   8.952
  211    H2*    G  20          1H2*        G  20  -4.664   5.255   7.826
  212   2HO*    G  20          2HO*        G  20  -5.156   7.586   8.948
  213    H1*    G  20           H1*        G  20  -4.296   7.105   5.809
  214    H8     G  20           H8         G  20  -0.905   5.721   6.456
  215    H1     G  20           H1         G  20  -4.533   1.942   2.761
  216   1H2     G  20          1H2         G  20  -7.143   3.966   3.780
  217   2H2     G  20          2H2         G  20  -6.633   2.587   2.828
  218   1H5*    U  21          H5*         U  21  -5.973   6.140  11.173
  219   2H5*    U  21          2H5*        U  21  -6.106   4.995  12.523
  220    H4*    U  21           H4*        U  21  -7.742   4.484  10.840
  221    H3*    U  21           H3*        U  21  -5.574   2.447  11.224
  222    H2*    U  21          1H2*        U  21  -6.559   1.101   9.478
  223   2HO*    U  21          2HO*        U  21  -8.760   2.522  10.183
  224    H1*    U  21           H1*        U  21  -6.906   3.188   7.685
  225    H3     U  21           H3         U  21  -3.242   1.000   6.126
  226    H5     U  21           H5         U  21  -1.799   3.422   9.213
  227    H6     U  21           H6         U  21  -4.079   3.959   9.762
  228   1H5*    U  22          H5*         U  22  -9.174   0.606  10.572
  229   2H5*    U  22          2H5*        U  22  -9.656  -0.267  12.040
  230    H4*    U  22           H4*        U  22 -10.220  -1.751  10.387
  231    H3*    U  22           H3*        U  22  -7.557  -2.474  11.520
  232    H2*    U  22          1H2*        U  22  -7.239  -4.189   9.862
  233   2HO*    U  22          2HO*        U  22  -8.951  -5.141   9.039
  234    H1*    U  22           H1*        U  22  -7.967  -2.663   7.688
  235    H3     U  22           H3         U  22  -3.501  -2.316   7.335
  236    H5     U  22           H5         U  22  -4.420   0.079  10.654
  237    H6     U  22           H6         U  22  -6.678  -0.727  10.514
  238   1H5*    U  23          H5*         U  23  -9.385  -5.743  10.784
  239   2H5*    U  23          2H5*        U  23  -9.415  -7.042  11.993
  240    H4*    U  23           H4*        U  23  -8.494  -7.920   9.991
  241    H3*    U  23           H3*        U  23  -6.440  -7.519  12.155
  242    H2*    U  23          1H2*        U  23  -4.802  -8.487  10.665
  243   2HO*    U  23          2HO*        U  23  -6.853  -9.779   9.720
  244    H1*    U  23           H1*        U  23  -5.611  -6.996   8.444
  245    H3     U  23           H3         U  23  -1.651  -5.223   9.827
  246    H5     U  23           H5         U  23  -4.581  -3.367  12.185
  247    H6     U  23           H6         U  23  -6.176  -4.942  11.309
  248   1H5*    C  24          H5*         C  24  -5.675 -11.264  11.264
  249   2H5*    C  24          2H5*        C  24  -5.692 -12.346  12.671
  250    H4*    C  24           H4*        C  24  -3.592 -12.590  11.620
  251    H3*    C  24           H3*        C  24  -3.439 -11.044  14.192
  252    H2*    C  24          1H2*        C  24  -1.062 -10.820  13.877
  253   2HO*    C  24          2HO*        C  24  -1.404 -12.569  11.640
  254    H1*    C  24           H1*        C  24  -1.210 -10.183  11.157
  255   1H4     C  24          1H4         C  24  -2.842  -4.538  14.114
  256   2H4     C  24          2H4         C  24  -1.089  -4.612  14.163
  257    H5     C  24           H5         C  24  -4.187  -6.426  13.358
  258    H6     C  24           H6         C  24  -4.110  -8.708  12.496
  259   1H5*    C  25          H5*         C  25  -0.121 -13.525  14.127
  260   2H5*    C  25          2H5*        C  25  -0.338 -14.676  15.460
  261    H4*    C  25           H4*        C  25   1.882 -14.046  15.622
  262    H3*    C  25           H3*        C  25   0.216 -12.584  17.628
  263    H2*    C  25          1H2*        C  25   2.103 -11.270  18.316
  264   2HO*    C  25          2HO*        C  25   3.479 -13.337  17.840
  265    H1*    C  25           H1*        C  25   3.045 -10.699  15.766
  266   1H4     C  25          1H4         C  25  -2.297  -6.892  16.538
  267   2H4     C  25          2H4         C  25  -0.898  -5.865  16.763
  268    H5     C  25           H5         C  25  -2.121  -9.284  16.197
  269    H6     C  25           H6         C  25  -0.575 -11.159  15.996
  270    H3T    C  25           H3T        C  25   0.874 -14.807  17.747
  Start of MODEL    6
    1   1H5*    G   1          H5*         G   1   5.269   0.704  17.317
    2   2H5*    G   1          2H5*        G   1   5.456   0.046  18.952
    3    H4*    G   1           H4*        G   1   7.813  -0.353  17.297
    4    H3*    G   1           H3*        G   1   5.204  -1.329  16.192
    5    H2*    G   1          1H2*        G   1   6.196  -3.481  15.749
    6   2HO*    G   1          2HO*        G   1   8.266  -3.483  15.292
    7    H1*    G   1           H1*        G   1   7.336  -3.780  18.237
    8    H8     G   1           H8         G   1   4.378  -1.782  19.052
    9    H1     G   1           H1         G   1   2.851  -7.820  17.543
   10   1H2     G   1          1H2         G   1   6.103  -8.019  16.384
   11   2H2     G   1          2H2         G   1   4.574  -8.835  16.624
   12    H5T    G   1           H5T        G   1   7.490   1.177  19.033
   13   1H5*    G   2          H5*         G   2   8.195  -2.377  13.743
   14   2H5*    G   2          2H5*        G   2   7.901  -2.297  11.995
   15    H4*    G   2           H4*        G   2   8.603  -4.520  12.742
   16    H3*    G   2           H3*        G   2   5.954  -4.187  11.391
   17    H2*    G   2          1H2*        G   2   5.454  -6.517  11.725
   18   2HO*    G   2          2HO*        G   2   8.058  -6.762  11.616
   19    H1*    G   2           H1*        G   2   6.223  -6.622  14.374
   20    H8     G   2           H8         G   2   4.943  -3.247  14.424
   21    H1     G   2           H1         G   2   0.220  -7.492  13.608
   22   1H2     G   2          1H2         G   2   2.773  -9.706  12.830
   23   2H2     G   2          2H2         G   2   1.048  -9.448  12.988
   24   1H5*    A   3          H5*         A   3   7.453  -7.589   9.319
   25   2H5*    A   3          2H5*        A   3   7.858  -6.950   7.713
   26    H4*    A   3           H4*        A   3   6.799  -8.913   7.200
   27    H3*    A   3           H3*        A   3   4.845  -6.662   7.001
   28    H2*    A   3          1H2*        A   3   3.050  -8.221   6.558
   29   2HO*    A   3          2HO*        A   3   5.023  -9.736   5.682
   30    H1*    A   3           H1*        A   3   3.573  -9.834   8.701
   31    H8     A   3           H8         A   3   4.951  -6.684   9.987
   32   1H6     A   3          1H6         A   3   0.890  -4.472  11.437
   33   2H6     A   3          2H6         A   3  -0.815  -4.754  11.146
   34    H2     A   3           H2         A   3  -1.061  -8.420   8.564
   35   1H5*    A   4          H5*         A   4   4.332  -8.964   3.661
   36   2H5*    A   4          2H5*        A   4   4.394  -8.080   2.124
   37    H4*    A   4           H4*        A   4   2.447  -9.386   2.055
   38    H3*    A   4           H3*        A   4   1.872  -6.484   2.528
   39    H2*    A   4          1H2*        A   4  -0.493  -6.986   2.673
   40   2HO*    A   4          2HO*        A   4   0.101  -8.974   1.127
   41    H1*    A   4           H1*        A   4  -0.200  -9.002   4.507
   42    H8     A   4           H8         A   4   2.746  -6.866   5.235
   43   1H6     A   4          1H6         A   4   0.645  -3.520   8.054
   44   2H6     A   4          2H6         A   4  -1.025  -3.118   8.393
   45    H2     A   4           H2         A   4  -3.552  -6.001   6.077
   46   1H5*    G   5          H5*         G   5  -0.537  -7.799  -0.454
   47   2H5*    G   5          2H5*        G   5  -0.704  -6.783  -1.899
   48    H4*    G   5           H4*        G   5  -2.876  -7.293  -1.060
   49    H3*    G   5           H3*        G   5  -2.038  -4.431  -0.737
   50    H2*    G   5          1H2*        G   5  -4.157  -3.954   0.328
   51   2HO*    G   5          2HO*        G   5  -5.845  -5.280   0.131
   52    H1*    G   5           H1*        G   5  -4.034  -6.074   2.087
   53    H8     G   5           H8         G   5  -0.468  -5.354   1.714
   54    H1     G   5           H1         G   5  -3.486  -0.866   5.156
   55   1H2     G   5          1H2         G   5  -6.360  -2.252   3.883
   56   2H2     G   5          2H2         G   5  -5.639  -1.007   4.883
   57   1H5*    C   6          H5*         C   6  -5.767  -4.269  -1.391
   58   2H5*    C   6          2H5*        C   6  -6.185  -3.505  -2.936
   59    H4*    C   6           H4*        C   6  -7.638  -2.523  -1.436
   60    H3*    C   6           H3*        C   6  -5.296  -0.684  -1.859
   61    H2*    C   6          1H2*        C   6  -6.366   0.889  -0.352
   62   2HO*    C   6          2HO*        C   6  -8.557  -0.339  -1.131
   63    H1*    C   6           H1*        C   6  -6.819  -0.997   1.617
   64   1H4     C   6          1H4         C   6  -0.276  -0.233   1.708
   65   2H4     C   6          2H4         C   6  -0.892   1.014   2.770
   66    H5     C   6           H5         C   6  -1.689  -1.643   0.365
   67    H6     C   6           H6         C   6  -3.992  -2.164  -0.234
   68   1H5*    A   7          H5*         A   7  -8.599   1.394  -2.512
   69   2H5*    A   7          2H5*        A   7  -8.635   2.681  -3.734
   70    H4*    A   7           H4*        A   7  -9.082   3.555  -1.520
   71    H3*    A   7           H3*        A   7  -6.597   4.495  -2.908
   72    H2*    A   7          1H2*        A   7  -6.029   5.835  -0.991
   73   2HO*    A   7          2HO*        A   7  -8.605   5.985  -0.713
   74    H1*    A   7           H1*        A   7  -6.639   3.892   0.916
   75    H8     A   7           H8         A   7  -5.147   1.712  -1.556
   76   1H6     A   7          1H6         A   7  -0.431   2.566  -0.768
   77   2H6     A   7          2H6         A   7   0.432   3.834   0.078
   78    H2     A   7           H2         A   7  -2.653   6.642   1.704
   79   1H5*    G   8          H5*         G   8  -7.619   7.857  -1.978
   80   2H5*    G   8          2H5*        G   8  -8.072   8.994  -3.263
   81    H4*    G   8           H4*        G   8  -6.406  10.161  -2.268
   82    H3*    G   8           H3*        G   8  -5.160   8.602  -4.489
   83    H2*    G   8          1H2*        G   8  -2.952   9.258  -3.774
   84   2HO*    G   8          2HO*        G   8  -4.235  11.359  -2.866
   85    H1*    G   8           H1*        G   8  -3.303   8.690  -1.109
   86    H8     G   8           H8         G   8  -5.531   6.285  -2.862
   87    H1     G   8           H1         G   8   0.644   4.573  -2.985
   88   1H2     G   8          1H2         G   8   1.233   7.793  -1.893
   89   2H2     G   8          2H2         G   8   1.917   6.255  -2.368
   90   1H5*    G   9          H5*         G   9  -3.029  11.983  -4.998
   91   2H5*    G   9          2H5*        G   9  -3.203  12.557  -6.668
   92    H4*    G   9           H4*        G   9  -0.897  12.301  -6.268
   93    H3*    G   9           H3*        G   9  -1.967  10.069  -7.984
   94    H2*    G   9          1H2*        G   9   0.283   9.214  -8.131
   95   2HO*    G   9          2HO*        G   9   1.954  10.517  -7.883
   96    H1*    G   9           H1*        G   9   0.827   9.526  -5.403
   97    H8     G   9           H8         G   9  -2.680   8.435  -5.435
   98    H1     G   9           H1         G   9   1.367   3.705  -6.964
   99   1H2     G   9          1H2         G   9   3.709   6.216  -7.269
  100   2H2     G   9          2H2         G   9   3.362   4.505  -7.381
  101   1H5*    C  10          H5*         C  10   1.716  11.592  -9.177
  102   2H5*    C  10          2H5*        C  10   1.526  12.289 -10.797
  103    H4*    C  10           H4*        C  10   3.625  11.280 -10.808
  104    H3*    C  10           H3*        C  10   1.601   9.598 -12.245
  105    H2*    C  10          1H2*        C  10   3.300   7.941 -12.669
  106   2HO*    C  10          2HO*        C  10   4.907   9.909 -12.744
  107    H1*    C  10           H1*        C  10   4.309   7.923 -10.079
  108   1H4     C  10          1H4         C  10  -1.466   4.750  -9.658
  109   2H4     C  10          2H4         C  10  -0.252   3.522  -9.884
  110    H5     C  10           H5         C  10  -0.969   7.125  -9.752
  111    H6     C  10           H6         C  10   0.794   8.777 -10.078
  112   1H5*    U  11          H5*         U  11   4.337   9.809 -14.702
  113   2H5*    U  11          2H5*        U  11   4.153  10.167 -16.430
  114    H4*    U  11           H4*        U  11   4.959   7.973 -16.314
  115    H3*    U  11           H3*        U  11   2.007   8.014 -16.894
  116    H2*    U  11          1H2*        U  11   2.022   5.626 -16.955
  117   2HO*    U  11          2HO*        U  11   3.912   4.467 -17.123
  118    H1*    U  11           H1*        U  11   3.901   5.311 -14.835
  119    H3     U  11           H3         U  11   0.082   3.310 -13.405
  120    H5     U  11           H5         U  11  -0.531   7.423 -12.794
  121    H6     U  11           H6         U  11   1.494   7.835 -14.029
  122   1H5*    U  12          H5*         U  12   2.097   6.978 -21.945
  123   2H5*    U  12          2H5*        U  12   0.519   6.406 -21.370
  124    H4*    U  12           H4*        U  12   1.418   4.593 -22.507
  125    H3*    U  12           H3*        U  12   0.759   4.094 -19.987
  126    H2*    U  12          1H2*        U  12   2.887   4.657 -18.974
  127   2HO*    U  12          2HO*        U  12   2.677   1.924 -19.618
  128    H1*    U  12           H1*        U  12   4.314   3.092 -21.187
  129    H3     U  12           H3         U  12   8.169   4.164 -19.154
  130    H5     U  12           H5         U  12   6.248   7.864 -19.636
  131    H6     U  12           H6         U  12   4.331   6.673 -20.464
  132   1H5*    C  13          H5*         C  13   1.409   0.259 -18.625
  133   2H5*    C  13          2H5*        C  13  -0.029  -0.483 -19.353
  134    H4*    C  13           H4*        C  13   0.137  -0.721 -16.888
  135    H3*    C  13           H3*        C  13  -2.162  -0.538 -18.213
  136    H2*    C  13          1H2*        C  13  -2.341   1.880 -18.221
  137   2HO*    C  13          2HO*        C  13  -3.586   2.255 -16.034
  138    H1*    C  13           H1*        C  13  -1.507   1.899 -15.274
  139   1H4     C  13          1H4         C  13   0.102   7.800 -17.735
  140   2H4     C  13          2H4         C  13  -0.938   8.084 -16.359
  141    H5     C  13           H5         C  13   0.597   5.581 -18.558
  142    H6     C  13           H6         C  13   0.221   3.200 -18.214
  143   1H5*    G  14          H5*         G  14  -0.526  -2.598 -17.500
  144   2H5*    G  14          2H5*        G  14  -1.342  -4.080 -18.034
  145    H4*    G  14           H4*        G  14  -0.016  -5.423 -16.831
  146    H3*    G  14           H3*        G  14  -0.036  -3.364 -14.640
  147    H2*    G  14          1H2*        G  14   2.045  -4.232 -13.834
  148   2HO*    G  14          2HO*        G  14   1.035  -6.481 -14.792
  149    H1*    G  14           H1*        G  14   3.167  -4.725 -16.391
  150    H8     G  14           H8         G  14   5.111  -3.173 -16.169
  151    H1     G  14           H1         G  14   1.402   1.622 -14.068
  152   1H2     G  14          1H2         G  14  -1.171  -0.681 -14.347
  153   2H2     G  14          2H2         G  14  -0.698   0.949 -13.921
  154   1H5*    G  15          H5*         G  15   1.052  -6.149 -12.171
  155   2H5*    G  15          2H5*        G  15   0.615  -5.556 -10.557
  156    H4*    G  15           H4*        G  15   3.048  -5.295 -11.567
  157    H3*    G  15           H3*        G  15   1.605  -3.520  -9.648
  158    H2*    G  15          1H2*        G  15   3.325  -1.846  -9.823
  159   2HO*    G  15          2HO*        G  15   4.929  -3.756 -10.139
  160    H1*    G  15           H1*        G  15   3.488  -1.846 -12.569
  161    H8     G  15           H8         G  15  -0.050  -2.717 -11.892
  162    H1     G  15           H1         G  15   1.190   3.512 -11.137
  163   1H2     G  15          1H2         G  15   4.491   2.568 -11.333
  164   2H2     G  15          2H2         G  15   3.351   3.881 -11.154
  165   1H5*    C  16          H5*         C  16   5.880  -3.485  -8.615
  166   2H5*    C  16          2H5*        C  16   5.958  -3.462  -6.842
  167    H4*    C  16           H4*        C  16   7.193  -1.619  -7.956
  168    H3*    C  16           H3*        C  16   5.060  -1.006  -5.935
  169    H2*    C  16          1H2*        C  16   5.428   1.347  -6.279
  170   2HO*    C  16          2HO*        C  16   7.867   0.521  -6.860
  171    H1*    C  16           H1*        C  16   5.579   1.216  -9.065
  172   1H4     C  16          1H4         C  16  -0.877   0.806  -7.804
  173   2H4     C  16          2H4         C  16  -0.505   2.513  -7.899
  174    H5     C  16           H5         C  16   0.863  -0.895  -7.836
  175    H6     C  16           H6         C  16   3.264  -1.284  -7.999
  176   1H5*    C  17          H5*         C  17   8.002   1.941  -5.580
  177   2H5*    C  17          2H5*        C  17   8.877   1.385  -4.141
  178    H4*    C  17           H4*        C  17   8.872   3.651  -3.850
  179    H3*    C  17           H3*        C  17   6.606   2.501  -2.274
  180    H2*    C  17          1H2*        C  17   5.876   4.713  -1.665
  181   2HO*    C  17          2HO*        C  17   8.444   5.258  -2.117
  182    H1*    C  17           H1*        C  17   5.961   5.749  -4.216
  183   1H4     C  17          1H4         C  17   0.969   1.485  -4.732
  184   2H4     C  17          2H4         C  17   0.237   3.000  -4.268
  185    H5     C  17           H5         C  17   3.352   1.144  -4.819
  186    H6     C  17           H6         C  17   5.529   2.197  -4.523
  187   1H5*    U  18          H5*         U  18   7.823   5.194   0.336
  188   2H5*    U  18          2H5*        U  18   9.079   4.379   1.285
  189    H4*    U  18           H4*        U  18   7.888   4.533   3.258
  190    H3*    U  18           H3*        U  18   5.574   3.897   2.166
  191    H2*    U  18          1H2*        U  18   5.146   5.828   0.822
  192   2HO*    U  18          2HO*        U  18   4.355   6.751   3.413
  193    H1*    U  18           H1*        U  18   6.136   7.795   2.894
  194    H3     U  18           H3         U  18   7.264  10.980   0.011
  195    H5     U  18           H5         U  18   6.790   7.624  -2.462
  196    H6     U  18           H6         U  18   6.428   6.305  -0.490
  197   1H5*    U  19          H5*         U  19   5.105   6.297   5.974
  198   2H5*    U  19          2H5*        U  19   3.774   5.826   7.048
  199    H4*    U  19           H4*        U  19   4.161   8.285   6.828
  200    H3*    U  19           H3*        U  19   1.452   7.112   6.249
  201    H2*    U  19          1H2*        U  19   0.643   9.330   5.797
  202   2HO*    U  19          2HO*        U  19   2.281  10.045   7.618
  203    H1*    U  19           H1*        U  19   2.922  10.151   4.356
  204    H3     U  19           H3         U  19  -0.518   9.888   1.385
  205    H5     U  19           H5         U  19   0.945   5.973   1.738
  206    H6     U  19           H6         U  19   2.316   6.728   3.564
  207   1H5*    G  20          H5*         G  20  -0.419   9.197   7.753
  208   2H5*    G  20          2H5*        G  20  -0.882   8.834   9.427
  209    H4*    G  20           H4*        G  20  -2.908   9.321   8.503
  210    H3*    G  20           H3*        G  20  -2.525   6.363   8.434
  211    H2*    G  20          1H2*        G  20  -4.541   6.071   7.138
  212   2HO*    G  20          2HO*        G  20  -5.135   8.450   8.260
  213    H1*    G  20           H1*        G  20  -3.955   7.972   5.251
  214    H8     G  20           H8         G  20  -0.552   7.038   6.191
  215    H1     G  20           H1         G  20  -3.424   2.442   2.770
  216   1H2     G  20          1H2         G  20  -6.328   4.203   3.422
  217   2H2     G  20          2H2         G  20  -5.594   2.807   2.663
  218   1H5*    U  21          H5*         U  21  -6.143   6.199   8.722
  219   2H5*    U  21          2H5*        U  21  -6.740   5.322  10.144
  220    H4*    U  21           H4*        U  21  -7.647   4.287   8.215
  221    H3*    U  21           H3*        U  21  -5.511   2.655   9.558
  222    H2*    U  21          1H2*        U  21  -5.822   0.945   7.893
  223   2HO*    U  21          2HO*        U  21  -7.805   0.725   7.146
  224    H1*    U  21           H1*        U  21  -5.895   2.698   5.721
  225    H3     U  21           H3         U  21  -1.894   0.473   5.654
  226    H5     U  21           H5         U  21  -1.298   3.820   8.101
  227    H6     U  21           H6         U  21  -3.670   4.212   8.020
  228   1H5*    U  22          H5*         U  22  -9.019   0.572   8.572
  229   2H5*    U  22          2H5*        U  22  -9.780  -0.088  10.034
  230    H4*    U  22           H4*        U  22 -10.138  -1.749   8.489
  231    H3*    U  22           H3*        U  22  -7.733  -2.423  10.136
  232    H2*    U  22          1H2*        U  22  -7.329  -4.381   8.798
  233   2HO*    U  22          2HO*        U  22  -9.054  -5.333   8.023
  234    H1*    U  22           H1*        U  22  -7.641  -3.134   6.350
  235    H3     U  22           H3         U  22  -3.154  -3.455   6.760
  236    H5     U  22           H5         U  22  -4.179  -0.175   9.160
  237    H6     U  22           H6         U  22  -6.493  -0.745   8.818
  238   1H5*    U  23          H5*         U  23  -9.912  -5.941   9.862
  239   2H5*    U  23          2H5*        U  23  -9.765  -6.941  11.320
  240    H4*    U  23           H4*        U  23  -8.929  -8.050   9.293
  241    H3*    U  23           H3*        U  23  -7.013  -7.587  11.564
  242    H2*    U  23          1H2*        U  23  -5.291  -8.666  10.273
  243   2HO*    U  23          2HO*        U  23  -7.280 -10.026   9.318
  244    H1*    U  23           H1*        U  23  -5.935  -7.398   7.855
  245    H3     U  23           H3         U  23  -1.966  -5.683   9.246
  246    H5     U  23           H5         U  23  -4.907  -3.457  11.261
  247    H6     U  23           H6         U  23  -6.534  -5.043  10.467
  248   1H5*    C  24          H5*         C  24  -6.672 -11.889  11.238
  249   2H5*    C  24          2H5*        C  24  -6.393 -12.503  12.879
  250    H4*    C  24           H4*        C  24  -4.546 -12.943  11.276
  251    H3*    C  24           H3*        C  24  -3.993 -11.446  13.824
  252    H2*    C  24          1H2*        C  24  -1.674 -11.288  13.179
  253   2HO*    C  24          2HO*        C  24  -0.859 -12.457  11.454
  254    H1*    C  24           H1*        C  24  -2.189 -10.529  10.546
  255   1H4     C  24          1H4         C  24  -3.412  -5.047  13.974
  256   2H4     C  24          2H4         C  24  -1.666  -5.124  13.856
  257    H5     C  24           H5         C  24  -4.846  -6.863  13.240
  258    H6     C  24           H6         C  24  -4.890  -9.090  12.247
  259   1H5*    C  25          H5*         C  25  -0.894 -14.010  12.960
  260   2H5*    C  25          2H5*        C  25  -0.935 -15.306  14.172
  261    H4*    C  25           H4*        C  25   1.332 -14.842  13.763
  262    H3*    C  25           H3*        C  25   0.382 -13.782  16.399
  263    H2*    C  25          1H2*        C  25   2.537 -12.816  16.814
  264   2HO*    C  25          2HO*        C  25   3.415 -14.848  15.501
  265    H1*    C  25           H1*        C  25   2.928 -11.810  14.232
  266   1H4     C  25          1H4         C  25  -1.193  -7.527  17.078
  267   2H4     C  25          2H4         C  25   0.414  -6.974  17.486
  268    H5     C  25           H5         C  25  -1.607  -9.611  15.911
  269    H6     C  25           H6         C  25  -0.563 -11.584  14.926
  270    H3T    C  25           H3T        C  25   0.642 -15.948  16.174
  Start of MODEL    7
    1   1H5*    G   1          H5*         G   1   6.913  -1.704  17.919
    2   2H5*    G   1          2H5*        G   1   8.529  -1.142  18.385
    3    H4*    G   1           H4*        G   1   9.560  -2.589  16.770
    4    H3*    G   1           H3*        G   1   6.778  -3.174  15.806
    5    H2*    G   1          1H2*        G   1   7.443  -5.454  15.383
    6   2HO*    G   1          2HO*        G   1   9.484  -5.648  14.777
    7    H1*    G   1           H1*        G   1   8.631  -5.833  17.842
    8    H8     G   1           H8         G   1   6.020  -3.517  18.811
    9    H1     G   1           H1         G   1   3.571  -9.201  17.154
   10   1H2     G   1          1H2         G   1   6.699  -9.806  15.805
   11   2H2     G   1          2H2         G   1   5.078 -10.400  16.091
   12    H5T    G   1           H5T        G   1   8.130  -0.962  15.701
   13   1H5*    G   2          H5*         G   2   9.344  -4.642  13.150
   14   2H5*    G   2          2H5*        G   2   9.096  -4.231  11.442
   15    H4*    G   2           H4*        G   2   9.358  -6.589  11.630
   16    H3*    G   2           H3*        G   2   6.594  -5.681  10.910
   17    H2*    G   2          1H2*        G   2   5.858  -7.984  10.885
   18   2HO*    G   2          2HO*        G   2   8.411  -8.438  10.356
   19    H1*    G   2           H1*        G   2   6.966  -8.637  13.321
   20    H8     G   2           H8         G   2   6.255  -5.165  14.052
   21    H1     G   2           H1         G   2   0.846  -8.549  13.516
   22   1H2     G   2          1H2         G   2   2.854 -10.949  12.027
   23   2H2     G   2          2H2         G   2   1.242 -10.483  12.522
   24   1H5*    A   3          H5*         A   3   7.251  -8.822   8.528
   25   2H5*    A   3          2H5*        A   3   7.512  -8.274   6.860
   26    H4*    A   3           H4*        A   3   6.197 -10.126   6.562
   27    H3*    A   3           H3*        A   3   4.473  -7.683   6.530
   28    H2*    A   3          1H2*        A   3   2.493  -9.063   6.343
   29   2HO*    A   3          2HO*        A   3   2.846 -10.891   5.288
   30    H1*    A   3           H1*        A   3   3.101 -10.640   8.487
   31    H8     A   3           H8         A   3   4.962  -7.576   9.353
   32   1H6     A   3          1H6         A   3   1.395  -4.912  11.272
   33   2H6     A   3          2H6         A   3  -0.350  -5.058  11.277
   34    H2     A   3           H2         A   3  -1.327  -8.795   8.998
   35   1H5*    A   4          H5*         A   4   3.227 -10.040   3.654
   36   2H5*    A   4          2H5*        A   4   2.875  -9.335   2.065
   37    H4*    A   4           H4*        A   4   0.951 -10.515   2.827
   38    H3*    A   4           H3*        A   4   0.647  -7.527   2.787
   39    H2*    A   4          1H2*        A   4  -1.620  -7.789   3.579
   40   2HO*    A   4          2HO*        A   4  -1.505 -10.060   2.348
   41    H1*    A   4           H1*        A   4  -0.959  -9.545   5.616
   42    H8     A   4           H8         A   4   2.055  -7.451   5.565
   43   1H6     A   4          1H6         A   4   0.434  -3.583   8.026
   44   2H6     A   4          2H6         A   4  -1.170  -3.027   8.459
   45    H2     A   4           H2         A   4  -4.062  -6.089   6.940
   46   1H5*    G   5          H5*         G   5  -2.292  -8.133  -0.498
   47   2H5*    G   5          2H5*        G   5  -2.153  -6.623  -1.419
   48    H4*    G   5           H4*        G   5  -4.279  -7.182   0.023
   49    H3*    G   5           H3*        G   5  -3.030  -4.444  -0.241
   50    H2*    G   5          1H2*        G   5  -4.904  -3.647   1.079
   51   2HO*    G   5          2HO*        G   5  -6.689  -4.857   1.384
   52    H1*    G   5           H1*        G   5  -4.652  -5.699   2.973
   53    H8     G   5           H8         G   5  -1.161  -4.982   2.178
   54    H1     G   5           H1         G   5  -3.897  -0.247   5.532
   55   1H2     G   5          1H2         G   5  -6.858  -1.801   4.734
   56   2H2     G   5          2H2         G   5  -6.060  -0.470   5.542
   57   1H5*    C   6          H5*         C   6  -6.928  -4.112  -0.242
   58   2H5*    C   6          2H5*        C   6  -7.492  -3.645  -1.858
   59    H4*    C   6           H4*        C   6  -8.838  -2.456  -0.380
   60    H3*    C   6           H3*        C   6  -6.708  -0.704  -1.553
   61    H2*    C   6          1H2*        C   6  -7.512   1.142  -0.233
   62   2HO*    C   6          2HO*        C   6  -9.803   0.058  -0.550
   63    H1*    C   6           H1*        C   6  -7.844  -0.314   2.129
   64   1H4     C   6          1H4         C   6  -1.351   0.708   1.780
   65   2H4     C   6          2H4         C   6  -1.983   2.118   2.594
   66    H5     C   6           H5         C   6  -2.747  -1.009   0.819
   67    H6     C   6           H6         C   6  -5.045  -1.730   0.441
   68   1H5*    A   7          H5*         A   7  -6.619   2.581  -3.433
   69   2H5*    A   7          2H5*        A   7  -6.695   1.535  -2.002
   70    H4*    A   7           H4*        A   7  -8.881   3.344  -1.909
   71    H3*    A   7           H3*        A   7  -6.390   4.672  -2.840
   72    H2*    A   7          1H2*        A   7  -6.464   6.306  -1.077
   73   2HO*    A   7          2HO*        A   7  -9.051   5.879  -1.243
   74    H1*    A   7           H1*        A   7  -6.953   4.567   0.987
   75    H8     A   7           H8         A   7  -5.057   2.207  -0.964
   76   1H6     A   7          1H6         A   7  -0.518   3.744  -0.165
   77   2H6     A   7          2H6         A   7   0.145   5.220   0.507
   78    H2     A   7           H2         A   7  -3.322   7.863   1.527
   79   1H5*    G   8          H5*         G   8  -7.503   7.870  -2.150
   80   2H5*    G   8          2H5*        G   8  -8.241   8.646  -3.565
   81    H4*    G   8           H4*        G   8  -6.859  10.318  -3.026
   82    H3*    G   8           H3*        G   8  -5.165   8.510  -4.702
   83    H2*    G   8          1H2*        G   8  -3.213   9.840  -4.201
   84   2HO*    G   8          2HO*        G   8  -4.932  11.772  -3.930
   85    H1*    G   8           H1*        G   8  -3.588   9.859  -1.487
   86    H8     G   8           H8         G   8  -5.225   6.712  -2.565
   87    H1     G   8           H1         G   8   1.162   6.270  -2.490
   88   1H2     G   8          1H2         G   8   1.100   9.708  -2.115
   89   2H2     G   8          2H2         G   8   2.071   8.258  -2.257
   90   1H5*    G   9          H5*         G   9  -3.863  11.853  -5.764
   91   2H5*    G   9          2H5*        G   9  -4.119  12.328  -7.455
   92    H4*    G   9           H4*        G   9  -1.857  12.714  -7.041
   93    H3*    G   9           H3*        G   9  -2.257  10.182  -8.603
   94    H2*    G   9          1H2*        G   9   0.129   9.831  -8.597
   95   2HO*    G   9          2HO*        G   9   0.117  12.511  -8.227
   96    H1*    G   9           H1*        G   9   0.473  10.382  -5.895
   97    H8     G   9           H8         G   9  -2.767   8.740  -5.749
   98    H1     G   9           H1         G   9   1.910   4.619  -7.245
   99   1H2     G   9          1H2         G   9   3.804   7.451  -7.813
  100   2H2     G   9          2H2         G   9   3.736   5.704  -7.809
  101   1H5*    C  10          H5*         C  10   1.071  12.185  -9.858
  102   2H5*    C  10          2H5*        C  10   0.815  12.733 -11.526
  103    H4*    C  10           H4*        C  10   3.030  12.010 -11.441
  104    H3*    C  10           H3*        C  10   1.277   9.985 -12.788
  105    H2*    C  10          1H2*        C  10   3.195   8.549 -13.077
  106   2HO*    C  10          2HO*        C  10   4.491  10.920 -12.843
  107    H1*    C  10           H1*        C  10   4.122   8.819 -10.473
  108   1H4     C  10          1H4         C  10  -1.240   4.995  -9.974
  109   2H4     C  10          2H4         C  10   0.104   3.909 -10.202
  110    H5     C  10           H5         C  10  -1.008   7.408 -10.089
  111    H6     C  10           H6         C  10   0.553   9.240 -10.470
  112   1H5*    U  11          H5*         U  11   3.871   9.797 -15.161
  113   2H5*    U  11          2H5*        U  11   3.587  10.182 -16.870
  114    H4*    U  11           H4*        U  11   4.357   7.981 -16.863
  115    H3*    U  11           H3*        U  11   1.367   8.037 -17.174
  116    H2*    U  11          1H2*        U  11   1.360   5.649 -17.246
  117   2HO*    U  11          2HO*        U  11   3.270   4.479 -17.535
  118    H1*    U  11           H1*        U  11   3.405   5.308 -15.295
  119    H3     U  11           H3         U  11  -0.327   3.374 -13.577
  120    H5     U  11           H5         U  11  -0.777   7.502 -12.867
  121    H6     U  11           H6         U  11   1.152   7.870 -14.255
  122   1H5*    U  12          H5*         U  12   1.297   6.819 -22.354
  123   2H5*    U  12          2H5*        U  12  -0.087   5.974 -21.636
  124    H4*    U  12           H4*        U  12   0.993   4.389 -22.974
  125    H3*    U  12           H3*        U  12   0.603   3.673 -20.459
  126    H2*    U  12          1H2*        U  12   2.659   4.578 -19.545
  127   2HO*    U  12          2HO*        U  12   4.180   2.523 -19.852
  128    H1*    U  12           H1*        U  12   4.202   3.344 -21.884
  129    H3     U  12           H3         U  12   7.916   5.024 -20.017
  130    H5     U  12           H5         U  12   5.352   8.341 -20.258
  131    H6     U  12           H6         U  12   3.629   6.854 -21.034
  132   1H5*    C  13          H5*         C  13   2.251   0.607 -19.299
  133   2H5*    C  13          2H5*        C  13   1.269  -0.758 -19.869
  134    H4*    C  13           H4*        C  13   1.656  -0.890 -17.482
  135    H3*    C  13           H3*        C  13  -0.704  -1.513 -18.486
  136    H2*    C  13          1H2*        C  13  -1.637   0.735 -18.512
  137   2HO*    C  13          2HO*        C  13  -2.962  -0.734 -17.192
  138    H1*    C  13           H1*        C  13  -0.618   1.139 -15.656
  139   1H4     C  13          1H4         C  13  -1.109   7.137 -18.356
  140   2H4     C  13          2H4         C  13  -2.134   7.130 -16.939
  141    H5     C  13           H5         C  13   0.047   5.155 -19.135
  142    H6     C  13           H6         C  13   0.450   2.789 -18.719
  143   1H5*    G  14          H5*         G  14   0.577  -3.364 -17.807
  144   2H5*    G  14          2H5*        G  14   0.184  -5.077 -18.049
  145    H4*    G  14           H4*        G  14   1.825  -5.773 -16.727
  146    H3*    G  14           H3*        G  14   0.993  -3.654 -14.765
  147    H2*    G  14          1H2*        G  14   3.162  -3.704 -13.783
  148   2HO*    G  14          2HO*        G  14   3.488  -5.868 -13.538
  149    H1*    G  14           H1*        G  14   4.579  -4.252 -16.213
  150    H8     G  14           H8         G  14   6.074  -2.265 -16.379
  151    H1     G  14           H1         G  14   1.491   1.719 -14.325
  152   1H2     G  14          1H2         G  14  -0.475  -1.144 -14.174
  153   2H2     G  14          2H2         G  14  -0.376   0.583 -13.917
  154   1H5*    G  15          H5*         G  15   2.667  -5.362 -10.272
  155   2H5*    G  15          2H5*        G  15   1.710  -3.987 -10.858
  156    H4*    G  15           H4*        G  15   4.658  -4.476 -11.243
  157    H3*    G  15           H3*        G  15   3.143  -2.650  -9.447
  158    H2*    G  15          1H2*        G  15   4.575  -0.797  -9.957
  159   2HO*    G  15          2HO*        G  15   6.460  -2.377 -10.083
  160    H1*    G  15           H1*        G  15   4.597  -1.129 -12.690
  161    H8     G  15           H8         G  15   1.253  -2.368 -11.810
  162    H1     G  15           H1         G  15   1.655   4.007 -11.459
  163   1H2     G  15          1H2         G  15   5.050   3.505 -11.689
  164   2H2     G  15          2H2         G  15   3.740   4.652 -11.540
  165   1H5*    C  16          H5*         C  16   7.363  -1.834  -8.550
  166   2H5*    C  16          2H5*        C  16   7.429  -1.732  -6.780
  167    H4*    C  16           H4*        C  16   8.340   0.252  -7.935
  168    H3*    C  16           H3*        C  16   6.056   0.579  -6.012
  169    H2*    C  16          1H2*        C  16   6.070   2.949  -6.443
  170   2HO*    C  16          2HO*        C  16   8.641   2.383  -7.137
  171    H1*    C  16           H1*        C  16   6.330   2.720  -9.216
  172   1H4     C  16          1H4         C  16  -0.022   1.390  -8.002
  173   2H4     C  16          2H4         C  16   0.092   3.126  -8.232
  174    H5     C  16           H5         C  16   1.959  -0.027  -7.906
  175    H6     C  16           H6         C  16   4.396  -0.055  -8.028
  176   1H5*    C  17          H5*         C  17   8.341   3.977  -5.486
  177   2H5*    C  17          2H5*        C  17   9.290   3.511  -4.061
  178    H4*    C  17           H4*        C  17   8.895   5.726  -3.667
  179    H3*    C  17           H3*        C  17   6.831   4.135  -2.194
  180    H2*    C  17          1H2*        C  17   5.775   6.179  -1.466
  181   2HO*    C  17          2HO*        C  17   8.250   7.163  -2.069
  182    H1*    C  17           H1*        C  17   5.723   7.354  -3.963
  183   1H4     C  17          1H4         C  17   1.372   2.426  -4.560
  184   2H4     C  17          2H4         C  17   0.438   3.836  -4.109
  185    H5     C  17           H5         C  17   3.783   2.419  -4.640
  186    H6     C  17           H6         C  17   5.792   3.762  -4.330
  187   1H5*    U  18          H5*         U  18   8.437   6.406   1.306
  188   2H5*    U  18          2H5*        U  18   9.148   5.065   2.220
  189    H4*    U  18           H4*        U  18   7.542   5.081   3.805
  190    H3*    U  18           H3*        U  18   5.542   4.881   2.126
  191    H2*    U  18          1H2*        U  18   5.595   7.033   1.067
  192   2HO*    U  18          2HO*        U  18   3.563   7.014   2.084
  193    H1*    U  18           H1*        U  18   6.109   8.593   3.590
  194    H3     U  18           H3         U  18   8.446  11.870   1.711
  195    H5     U  18           H5         U  18   8.302   8.980  -1.329
  196    H6     U  18           H6         U  18   7.199   7.506   0.216
  197   1H5*    U  19          H5*         U  19   4.724   6.557   6.002
  198   2H5*    U  19          2H5*        U  19   3.326   6.117   7.002
  199    H4*    U  19           H4*        U  19   4.061   8.484   7.205
  200    H3*    U  19           H3*        U  19   1.238   7.797   6.475
  201    H2*    U  19          1H2*        U  19   0.711  10.133   6.279
  202   2HO*    U  19          2HO*        U  19   2.540  10.372   8.123
  203    H1*    U  19           H1*        U  19   3.032  10.854   4.901
  204    H3     U  19           H3         U  19  -0.634  10.943   2.105
  205    H5     U  19           H5         U  19   1.062   7.122   1.758
  206    H6     U  19           H6         U  19   2.456   7.651   3.649
  207   1H5*    G  20          H5*         G  20  -0.763  10.077   7.744
  208   2H5*    G  20          2H5*        G  20  -1.171   9.571   9.395
  209    H4*    G  20           H4*        G  20  -3.227  10.046   8.493
  210    H3*    G  20           H3*        G  20  -2.710   7.113   8.408
  211    H2*    G  20          1H2*        G  20  -4.711   6.714   7.130
  212   2HO*    G  20          2HO*        G  20  -6.337   8.099   7.186
  213    H1*    G  20           H1*        G  20  -4.286   8.683   5.262
  214    H8     G  20           H8         G  20  -0.820   7.893   6.084
  215    H1     G  20           H1         G  20  -3.591   3.242   2.645
  216   1H2     G  20          1H2         G  20  -6.543   4.819   3.475
  217   2H2     G  20          2H2         G  20  -5.774   3.482   2.651
  218   1H5*    U  21          H5*         U  21  -6.428   6.896   8.620
  219   2H5*    U  21          2H5*        U  21  -6.967   6.189  10.156
  220    H4*    U  21           H4*        U  21  -8.055   4.999   8.444
  221    H3*    U  21           H3*        U  21  -5.859   3.465   9.772
  222    H2*    U  21          1H2*        U  21  -6.137   1.637   8.250
  223   2HO*    U  21          2HO*        U  21  -8.620   2.350   8.318
  224    H1*    U  21           H1*        U  21  -6.478   3.172   5.935
  225    H3     U  21           H3         U  21  -2.383   1.239   5.516
  226    H5     U  21           H5         U  21  -1.763   4.586   7.961
  227    H6     U  21           H6         U  21  -4.151   4.858   8.077
  228   1H5*    U  22          H5*         U  22  -9.558   0.941   9.381
  229   2H5*    U  22          2H5*        U  22  -9.827   0.337  11.027
  230    H4*    U  22           H4*        U  22 -10.160  -1.471   9.539
  231    H3*    U  22           H3*        U  22  -7.564  -1.707  11.048
  232    H2*    U  22          1H2*        U  22  -7.194  -3.813   9.934
  233   2HO*    U  22          2HO*        U  22  -9.830  -3.870   9.902
  234    H1*    U  22           H1*        U  22  -7.996  -2.895   7.404
  235    H3     U  22           H3         U  22  -3.504  -3.479   7.132
  236    H5     U  22           H5         U  22  -3.992   0.230   9.030
  237    H6     U  22           H6         U  22  -6.348  -0.242   9.181
  238   1H5*    U  23          H5*         U  23  -9.788  -5.404  11.107
  239   2H5*    U  23          2H5*        U  23  -9.552  -6.213  12.668
  240    H4*    U  23           H4*        U  23  -9.046  -7.617  10.683
  241    H3*    U  23           H3*        U  23  -6.921  -7.170  12.766
  242    H2*    U  23          1H2*        U  23  -5.450  -8.588  11.488
  243   2HO*    U  23          2HO*        U  23  -7.483  -9.911  10.883
  244    H1*    U  23           H1*        U  23  -6.104  -7.469   9.005
  245    H3     U  23           H3         U  23  -1.894  -6.050   9.899
  246    H5     U  23           H5         U  23  -4.375  -3.498  12.119
  247    H6     U  23           H6         U  23  -6.230  -4.918  11.534
  248   1H5*    C  24          H5*         C  24  -7.068 -11.489  12.070
  249   2H5*    C  24          2H5*        C  24  -6.729 -12.262  13.631
  250    H4*    C  24           H4*        C  24  -5.201 -12.925  11.790
  251    H3*    C  24           H3*        C  24  -4.067 -11.743  14.312
  252    H2*    C  24          1H2*        C  24  -1.855 -12.003  13.377
  253   2HO*    C  24          2HO*        C  24  -3.164 -13.871  11.888
  254    H1*    C  24           H1*        C  24  -2.516 -10.972  10.872
  255   1H4     C  24          1H4         C  24  -2.179  -5.643  14.729
  256   2H4     C  24          2H4         C  24  -0.530  -5.963  14.236
  257    H5     C  24           H5         C  24  -4.009  -7.151  14.225
  258    H6     C  24           H6         C  24  -4.620  -9.253  13.151
  259   1H5*    C  25          H5*         C  25  -1.516 -14.608  13.058
  260   2H5*    C  25          2H5*        C  25  -1.566 -15.941  14.228
  261    H4*    C  25           H4*        C  25   0.692 -15.638  13.649
  262    H3*    C  25           H3*        C  25   0.055 -14.586  16.385
  263    H2*    C  25          1H2*        C  25   2.331 -13.862  16.634
  264   2HO*    C  25          2HO*        C  25   2.891 -15.918  15.221
  265    H1*    C  25           H1*        C  25   2.582 -12.801  14.055
  266   1H4     C  25          1H4         C  25  -0.795  -8.282  17.483
  267   2H4     C  25          2H4         C  25   0.890  -7.830  17.608
  268    H5     C  25           H5         C  25  -1.523 -10.336  16.415
  269    H6     C  25           H6         C  25  -0.780 -12.356  15.265
  270    H3T    C  25           H3T        C  25   0.079 -16.779  16.026
  Start of MODEL    8
    1   1H5*    G   1          H5*         G   1   6.959   0.988  17.234
    2   2H5*    G   1          2H5*        G   1   5.380   0.203  17.414
    3    H4*    G   1           H4*        G   1   8.099  -0.778  18.107
    4    H3*    G   1           H3*        G   1   5.741  -1.886  16.637
    5    H2*    G   1          1H2*        G   1   6.271  -4.103  17.406
    6   2HO*    G   1          2HO*        G   1   8.705  -3.285  17.397
    7    H1*    G   1           H1*        G   1   6.583  -3.432  20.048
    8    H8     G   1           H8         G   1   4.124  -0.933  19.163
    9    H1     G   1           H1         G   1   1.580  -6.811  19.024
   10   1H2     G   1          1H2         G   1   4.865  -7.893  19.098
   11   2H2     G   1          2H2         G   1   3.171  -8.330  19.032
   12    H5T    G   1           H5T        G   1   6.280   0.425  19.834
   13   1H5*    G   2          H5*         G   2   8.876  -4.579  15.641
   14   2H5*    G   2          2H5*        G   2   8.987  -4.573  13.870
   15    H4*    G   2           H4*        G   2   8.975  -6.829  14.688
   16    H3*    G   2           H3*        G   2   6.578  -6.003  13.088
   17    H2*    G   2          1H2*        G   2   5.626  -8.201  13.410
   18   2HO*    G   2          2HO*        G   2   8.096  -8.960  13.565
   19    H1*    G   2           H1*        G   2   6.027  -8.257  16.134
   20    H8     G   2           H8         G   2   5.586  -4.682  15.822
   21    H1     G   2           H1         G   2   0.100  -7.776  14.679
   22   1H2     G   2          1H2         G   2   2.111 -10.592  14.389
   23   2H2     G   2          2H2         G   2   0.494  -9.929  14.314
   24   1H5*    A   3          H5*         A   3   7.595  -9.651  11.009
   25   2H5*    A   3          2H5*        A   3   8.253  -9.036   9.480
   26    H4*    A   3           H4*        A   3   6.883 -10.739   8.780
   27    H3*    A   3           H3*        A   3   5.443  -8.131   8.539
   28    H2*    A   3          1H2*        A   3   3.417  -9.263   7.881
   29   2HO*    A   3          2HO*        A   3   3.687 -11.085   6.825
   30    H1*    A   3           H1*        A   3   3.428 -11.065   9.946
   31    H8     A   3           H8         A   3   5.217  -8.262  11.533
   32   1H6     A   3          1H6         A   3   1.465  -5.419  12.731
   33   2H6     A   3          2H6         A   3  -0.226  -5.408  12.272
   34    H2     A   3           H2         A   3  -0.844  -8.876   9.513
   35   1H5*    A   4          H5*         A   4   4.531 -10.396   5.211
   36   2H5*    A   4          2H5*        A   4   4.438  -9.450   3.713
   37    H4*    A   4           H4*        A   4   2.386 -10.724   4.229
   38    H3*    A   4           H3*        A   4   2.264  -7.751   3.878
   39    H2*    A   4          1H2*        A   4  -0.091  -7.778   4.370
   40   2HO*    A   4          2HO*        A   4   0.143 -10.291   3.447
   41    H1*    A   4           H1*        A   4   0.078  -9.510   6.547
   42    H8     A   4           H8         A   4   3.134  -7.554   7.004
   43   1H6     A   4          1H6         A   4   1.293  -3.566   9.074
   44   2H6     A   4          2H6         A   4  -0.328  -2.928   9.237
   45    H2     A   4           H2         A   4  -3.057  -5.879   7.242
   46   1H5*    G   5          H5*         G   5  -1.204  -9.131   2.512
   47   2H5*    G   5          2H5*        G   5  -1.274  -8.867   0.760
   48    H4*    G   5           H4*        G   5  -3.369  -8.249   1.699
   49    H3*    G   5           H3*        G   5  -1.757  -5.851   0.832
   50    H2*    G   5          1H2*        G   5  -3.670  -4.499   1.427
   51   2HO*    G   5          2HO*        G   5  -4.940  -6.927   1.125
   52    H1*    G   5           H1*        G   5  -4.138  -5.861   3.846
   53    H8     G   5           H8         G   5  -0.469  -5.591   3.616
   54    H1     G   5           H1         G   5  -3.286  -0.045   5.178
   55   1H2     G   5          1H2         G   5  -6.193  -1.612   4.190
   56   2H2     G   5          2H2         G   5  -5.443  -0.158   4.818
   57   1H5*    C   6          H5*         C   6  -5.776  -5.705  -0.154
   58   2H5*    C   6          2H5*        C   6  -5.943  -5.529  -1.912
   59    H4*    C   6           H4*        C   6  -7.549  -4.131  -0.855
   60    H3*    C   6           H3*        C   6  -5.329  -2.720  -2.264
   61    H2*    C   6          1H2*        C   6  -6.068  -0.588  -1.475
   62   2HO*    C   6          2HO*        C   6  -8.215  -0.533  -1.648
   63    H1*    C   6           H1*        C   6  -6.747  -1.377   1.126
   64   1H4     C   6          1H4         C   6  -0.201  -0.642   1.208
   65   2H4     C   6          2H4         C   6  -0.858   0.799   1.947
   66    H5     C   6           H5         C   6  -1.558  -2.361   0.203
   67    H6     C   6           H6         C   6  -3.840  -3.073  -0.276
   68   1H5*    A   7          H5*         A   7  -7.910   0.791  -5.354
   69   2H5*    A   7          2H5*        A   7  -6.360   0.608  -4.510
   70    H4*    A   7           H4*        A   7  -8.924   1.733  -3.396
   71    H3*    A   7           H3*        A   7  -6.437   3.063  -4.374
   72    H2*    A   7          1H2*        A   7  -6.397   4.536  -2.471
   73   2HO*    A   7          2HO*        A   7  -9.027   4.057  -2.538
   74    H1*    A   7           H1*        A   7  -6.891   2.611  -0.553
   75    H8     A   7           H8         A   7  -4.929   0.655  -2.979
   76   1H6     A   7          1H6         A   7  -0.435   2.077  -1.756
   77   2H6     A   7          2H6         A   7   0.171   3.376  -0.746
   78    H2     A   7           H2         A   7  -3.382   5.587   0.828
   79   1H5*    G   8          H5*         G   8  -7.572   6.305  -2.589
   80   2H5*    G   8          2H5*        G   8  -7.987   7.425  -3.901
   81    H4*    G   8           H4*        G   8  -6.413   8.532  -2.564
   82    H3*    G   8           H3*        G   8  -5.317   7.592  -5.172
   83    H2*    G   8          1H2*        G   8  -3.091   8.274  -4.568
   84   2HO*    G   8          2HO*        G   8  -2.767   9.805  -3.104
   85    H1*    G   8           H1*        G   8  -3.090   7.191  -2.031
   86    H8     G   8           H8         G   8  -5.301   5.017  -4.127
   87    H1     G   8           H1         G   8   0.948   3.774  -4.829
   88   1H2     G   8          1H2         G   8   1.423   6.700  -3.064
   89   2H2     G   8          2H2         G   8   2.161   5.340  -3.882
   90   1H5*    G   9          H5*         G   9  -3.345  10.712  -4.538
   91   2H5*    G   9          2H5*        G   9  -3.666  12.045  -5.664
   92    H4*    G   9           H4*        G   9  -1.374  11.961  -5.643
   93    H3*    G   9           H3*        G   9  -2.317  10.337  -7.993
   94    H2*    G   9          1H2*        G   9  -0.006   9.911  -8.532
   95   2HO*    G   9          2HO*        G   9   1.290  11.534  -8.089
   96    H1*    G   9           H1*        G   9   0.746   9.322  -5.903
   97    H8     G   9           H8         G   9  -2.742   8.108  -6.775
   98    H1     G   9           H1         G   9   1.967   3.995  -8.216
   99   1H2     G   9          1H2         G   9   4.081   6.609  -7.412
  100   2H2     G   9          2H2         G   9   3.925   4.950  -7.951
  101   1H5*    C  10          H5*         C  10   0.528  13.132  -9.244
  102   2H5*    C  10          2H5*        C  10   0.284  13.747 -10.891
  103    H4*    C  10           H4*        C  10   2.456  12.802 -10.766
  104    H3*    C  10           H3*        C  10   0.533  11.144 -12.371
  105    H2*    C  10          1H2*        C  10   2.338   9.600 -12.821
  106   2HO*    C  10          2HO*        C  10   3.817  11.792 -12.325
  107    H1*    C  10           H1*        C  10   3.203   9.476 -10.178
  108   1H4     C  10          1H4         C  10  -2.408   5.975 -10.588
  109   2H4     C  10          2H4         C  10  -1.086   4.850 -10.477
  110    H5     C  10           H5         C  10  -2.051   8.388 -10.636
  111    H6     C  10           H6         C  10  -0.364  10.147 -10.685
  112   1H5*    U  11          H5*         U  11   3.286  10.815 -14.444
  113   2H5*    U  11          2H5*        U  11   3.264  11.449 -16.101
  114    H4*    U  11           H4*        U  11   3.846   9.260 -16.439
  115    H3*    U  11           H3*        U  11   0.856   9.435 -16.742
  116    H2*    U  11          1H2*        U  11   0.840   7.071 -17.221
  117   2HO*    U  11          2HO*        U  11   2.968   5.980 -17.196
  118    H1*    U  11           H1*        U  11   2.603   6.403 -15.145
  119    H3     U  11           H3         U  11  -1.317   4.845 -13.599
  120    H5     U  11           H5         U  11  -1.648   9.033 -13.204
  121    H6     U  11           H6         U  11   0.444   9.220 -14.374
  122   1H5*    U  12          H5*         U  12   0.839   9.515 -22.014
  123   2H5*    U  12          2H5*        U  12  -0.548   8.451 -21.704
  124    H4*    U  12           H4*        U  12   0.712   7.347 -23.323
  125    H3*    U  12           H3*        U  12   0.254   5.961 -21.084
  126    H2*    U  12          1H2*        U  12   2.287   6.563 -19.918
  127   2HO*    U  12          2HO*        U  12   2.140   4.135 -20.766
  128    H1*    U  12           H1*        U  12   3.829   6.132 -22.536
  129    H3     U  12           H3         U  12   7.601   7.068 -20.307
  130    H5     U  12           H5         U  12   5.073  10.268 -19.318
  131    H6     U  12           H6         U  12   3.306   9.135 -20.494
  132   1H5*    C  13          H5*         C  13   1.776   2.315 -20.847
  133   2H5*    C  13          2H5*        C  13   0.454   1.393 -21.589
  134    H4*    C  13           H4*        C  13   1.001   0.823 -19.210
  135    H3*    C  13           H3*        C  13  -1.412   0.580 -20.350
  136    H2*    C  13          1H2*        C  13  -2.219   2.809 -19.809
  137   2HO*    C  13          2HO*        C  13  -2.799   1.042 -17.649
  138    H1*    C  13           H1*        C  13  -1.014   2.427 -17.014
  139   1H4     C  13          1H4         C  13  -1.607   8.946 -17.859
  140   2H4     C  13          2H4         C  13  -2.452   8.535 -16.383
  141    H5     C  13           H5         C  13  -0.628   7.263 -19.310
  142    H6     C  13           H6         C  13  -0.239   4.874 -19.610
  143   1H5*    G  14          H5*         G  14   0.124  -0.961 -20.372
  144   2H5*    G  14          2H5*        G  14   0.179  -2.586 -21.080
  145    H4*    G  14           H4*        G  14   2.053  -3.090 -20.025
  146    H3*    G  14           H3*        G  14   0.693  -2.179 -17.512
  147    H2*    G  14          1H2*        G  14   2.764  -1.699 -16.499
  148   2HO*    G  14          2HO*        G  14   3.627  -3.760 -16.716
  149    H1*    G  14           H1*        G  14   4.248  -1.435 -19.030
  150    H8     G  14           H8         G  14   5.503   0.704 -18.784
  151    H1     G  14           H1         G  14   0.955   3.289 -15.063
  152   1H2     G  14          1H2         G  14  -0.738   0.303 -15.624
  153   2H2     G  14          2H2         G  14  -0.737   1.872 -14.851
  154   1H5*    G  15          H5*         G  15   1.677  -3.533 -13.607
  155   2H5*    G  15          2H5*        G  15   1.308  -2.389 -14.911
  156    H4*    G  15           H4*        G  15   4.147  -2.953 -14.708
  157    H3*    G  15           H3*        G  15   2.784  -2.176 -12.177
  158    H2*    G  15          1H2*        G  15   4.329  -0.371 -11.797
  159   2HO*    G  15          2HO*        G  15   6.046  -1.837 -12.933
  160    H1*    G  15           H1*        G  15   4.212   0.687 -14.332
  161    H8     G  15           H8         G  15   0.880  -0.912 -13.752
  162    H1     G  15           H1         G  15   1.409   4.898 -11.128
  163   1H2     G  15          1H2         G  15   4.770   4.590 -11.851
  164   2H2     G  15          2H2         G  15   3.492   5.588 -11.191
  165   1H5*    C  16          H5*         C  16   6.680  -2.589 -10.937
  166   2H5*    C  16          2H5*        C  16   6.840  -3.468  -9.404
  167    H4*    C  16           H4*        C  16   7.797  -1.322  -9.111
  168    H3*    C  16           H3*        C  16   5.168  -1.646  -7.693
  169    H2*    C  16          1H2*        C  16   5.369   0.612  -6.886
  170   2HO*    C  16          2HO*        C  16   7.404   1.116  -6.436
  171    H1*    C  16           H1*        C  16   6.134   1.704  -9.330
  172   1H4     C  16          1H4         C  16  -0.359   0.524  -9.749
  173   2H4     C  16          2H4         C  16  -0.179   2.218  -9.335
  174    H5     C  16           H5         C  16   1.529  -0.984  -9.907
  175    H6     C  16           H6         C  16   3.950  -1.176  -9.692
  176   1H5*    C  17          H5*         C  17   8.607  -0.017  -4.970
  177   2H5*    C  17          2H5*        C  17   8.232  -0.786  -3.415
  178    H4*    C  17           H4*        C  17   8.705   1.555  -3.108
  179    H3*    C  17           H3*        C  17   5.879   0.720  -2.526
  180    H2*    C  17          1H2*        C  17   5.387   3.005  -1.910
  181   2HO*    C  17          2HO*        C  17   8.005   3.076  -1.484
  182    H1*    C  17           H1*        C  17   6.413   4.068  -4.230
  183   1H4     C  17          1H4         C  17   1.231   0.609  -6.407
  184   2H4     C  17          2H4         C  17   0.670   2.256  -6.272
  185    H5     C  17           H5         C  17   3.386  -0.121  -5.655
  186    H6     C  17           H6         C  17   5.500   0.582  -4.680
  187   1H5*    U  18          H5*         U  18   8.266   3.238   0.365
  188   2H5*    U  18          2H5*        U  18   8.211   2.225   1.821
  189    H4*    U  18           H4*        U  18   7.995   4.091   2.964
  190    H3*    U  18           H3*        U  18   5.416   3.370   2.541
  191    H2*    U  18          1H2*        U  18   4.859   4.794   0.727
  192   2HO*    U  18          2HO*        U  18   4.848   6.530   3.000
  193    H1*    U  18           H1*        U  18   6.670   7.023   1.743
  194    H3     U  18           H3         U  18   7.016   9.144  -2.143
  195    H5     U  18           H5         U  18   5.426   5.423  -3.257
  196    H6     U  18           H6         U  18   5.680   4.709  -0.985
  197   1H5*    U  19          H5*         U  19   5.615   7.346   4.761
  198   2H5*    U  19          2H5*        U  19   4.982   6.960   6.373
  199    H4*    U  19           H4*        U  19   4.428   9.206   5.941
  200    H3*    U  19           H3*        U  19   2.093   7.344   5.807
  201    H2*    U  19          1H2*        U  19   0.647   9.106   5.081
  202   2HO*    U  19          2HO*        U  19   2.337  10.572   6.532
  203    H1*    U  19           H1*        U  19   2.456  10.349   3.336
  204    H3     U  19           H3         U  19  -0.418   8.615   0.376
  205    H5     U  19           H5         U  19   1.562   5.247   1.912
  206    H6     U  19           H6         U  19   2.641   6.700   3.496
  207   1H5*    G  20          H5*         G  20  -0.453   9.968   6.443
  208   2H5*    G  20          2H5*        G  20  -0.876   9.772   8.154
  209    H4*    G  20           H4*        G  20  -2.895   9.687   7.000
  210    H3*    G  20           H3*        G  20  -1.980   7.008   7.931
  211    H2*    G  20          1H2*        G  20  -3.780   5.911   6.796
  212   2HO*    G  20          2HO*        G  20  -5.621   6.933   6.678
  213    H1*    G  20           H1*        G  20  -3.665   7.389   4.435
  214    H8     G  20           H8         G  20  -0.158   6.942   5.596
  215    H1     G  20           H1         G  20  -2.534   1.832   2.526
  216   1H2     G  20          1H2         G  20  -5.577   3.421   2.901
  217   2H2     G  20          2H2         G  20  -4.708   2.029   2.300
  218   1H5*    U  21          H5*         U  21  -5.692   6.996   8.652
  219   2H5*    U  21          2H5*        U  21  -6.307   6.336  10.180
  220    H4*    U  21           H4*        U  21  -7.170   4.990   8.448
  221    H3*    U  21           H3*        U  21  -4.992   3.657  10.018
  222    H2*    U  21          1H2*        U  21  -5.135   1.728   8.605
  223   2HO*    U  21          2HO*        U  21  -7.232   1.343   8.224
  224    H1*    U  21           H1*        U  21  -5.419   3.136   6.190
  225    H3     U  21           H3         U  21  -1.290   1.401   5.758
  226    H5     U  21           H5         U  21  -0.815   4.430   8.622
  227    H6     U  21           H6         U  21  -3.205   4.702   8.626
  228   1H5*    U  22          H5*         U  22  -8.584   1.382   9.599
  229   2H5*    U  22          2H5*        U  22  -9.074   0.508  11.063
  230    H4*    U  22           H4*        U  22  -9.192  -0.938   9.139
  231    H3*    U  22           H3*        U  22  -7.085  -1.647  11.166
  232    H2*    U  22          1H2*        U  22  -6.499  -3.549   9.812
  233   2HO*    U  22          2HO*        U  22  -7.844  -4.358   8.307
  234    H1*    U  22           H1*        U  22  -6.601  -2.167   7.369
  235    H3     U  22           H3         U  22  -2.235  -3.142   8.247
  236    H5     U  22           H5         U  22  -3.020   0.438  10.293
  237    H6     U  22           H6         U  22  -5.354   0.120   9.794
  238   1H5*    U  23          H5*         U  23  -8.936  -4.923   9.663
  239   2H5*    U  23          2H5*        U  23  -9.838  -5.742  10.953
  240    H4*    U  23           H4*        U  23  -8.915  -7.500   9.803
  241    H3*    U  23           H3*        U  23  -7.098  -6.863  12.113
  242    H2*    U  23          1H2*        U  23  -5.674  -8.684  11.404
  243   2HO*    U  23          2HO*        U  23  -7.306 -10.142  10.738
  244    H1*    U  23           H1*        U  23  -5.674  -7.938   8.721
  245    H3     U  23           H3         U  23  -1.605  -6.555  10.072
  246    H5     U  23           H5         U  23  -4.227  -3.715  11.694
  247    H6     U  23           H6         U  23  -6.057  -5.096  10.960
  248   1H5*    C  24          H5*         C  24  -7.527 -10.806  12.462
  249   2H5*    C  24          2H5*        C  24  -7.623 -11.371  14.141
  250    H4*    C  24           H4*        C  24  -5.690 -12.296  13.018
  251    H3*    C  24           H3*        C  24  -5.066 -10.373  15.256
  252    H2*    C  24          1H2*        C  24  -2.733 -10.919  14.909
  253   2HO*    C  24          2HO*        C  24  -3.797 -13.172  13.931
  254    H1*    C  24           H1*        C  24  -2.881 -10.658  12.129
  255   1H4     C  24          1H4         C  24  -2.822  -4.479  14.450
  256   2H4     C  24          2H4         C  24  -1.146  -5.000  14.442
  257    H5     C  24           H5         C  24  -4.649  -6.006  13.937
  258    H6     C  24           H6         C  24  -5.216  -8.304  13.340
  259   1H5*    C  25          H5*         C  25  -2.529 -13.371  15.675
  260   2H5*    C  25          2H5*        C  25  -3.023 -14.331  17.084
  261    H4*    C  25           H4*        C  25  -0.714 -14.296  17.216
  262    H3*    C  25           H3*        C  25  -1.886 -12.273  19.091
  263    H2*    C  25          1H2*        C  25   0.320 -11.554  19.713
  264   2HO*    C  25          2HO*        C  25   1.429 -13.571  18.041
  265    H1*    C  25           H1*        C  25   1.359 -11.506  17.124
  266   1H4     C  25          1H4         C  25  -2.341  -6.060  17.553
  267   2H4     C  25          2H4         C  25  -0.733  -5.594  18.060
  268    H5     C  25           H5         C  25  -2.944  -8.361  17.071
  269    H6     C  25           H6         C  25  -2.127 -10.658  16.978
  270    H3T    C  25           H3T        C  25  -0.255 -14.288  19.915
  Start of MODEL    9
    1   1H5*    G   1          H5*         G   1   7.317   0.982  12.054
    2   2H5*    G   1          2H5*        G   1   6.531   0.218  13.448
    3    H4*    G   1           H4*        G   1   9.115  -0.821  12.337
    4    H3*    G   1           H3*        G   1   6.387  -1.322  11.192
    5    H2*    G   1          1H2*        G   1   6.938  -3.662  10.961
    6   2HO*    G   1          2HO*        G   1   9.404  -2.707  10.814
    7    H1*    G   1           H1*        G   1   7.998  -3.939  13.510
    8    H8     G   1           H8         G   1   5.141  -1.416  13.239
    9    H1     G   1           H1         G   1   3.365  -7.429  14.589
   10   1H2     G   1          1H2         G   1   6.678  -8.209  13.993
   11   2H2     G   1          2H2         G   1   5.086  -8.787  14.432
   12    H5T    G   1           H5T        G   1   8.776   0.400  14.400
   13   1H5*    G   2          H5*         G   2   8.963  -3.484   9.070
   14   2H5*    G   2          2H5*        G   2   9.009  -2.991   7.365
   15    H4*    G   2           H4*        G   2   8.910  -5.276   7.213
   16    H3*    G   2           H3*        G   2   6.127  -4.192   6.929
   17    H2*    G   2          1H2*        G   2   5.297  -6.457   6.754
   18   2HO*    G   2          2HO*        G   2   7.732  -6.926   5.856
   19    H1*    G   2           H1*        G   2   6.677  -7.401   8.954
   20    H8     G   2           H8         G   2   5.708  -3.716   9.195
   21    H1     G   2           H1         G   2   1.377  -7.818  11.541
   22   1H2     G   2          1H2         G   2   3.414 -10.269  10.170
   23   2H2     G   2          2H2         G   2   1.952  -9.892  11.055
   24   1H5*    A   3          H5*         A   3   6.653  -6.963   4.158
   25   2H5*    A   3          2H5*        A   3   6.360  -6.484   2.475
   26    H4*    A   3           H4*        A   3   5.164  -8.433   2.645
   27    H3*    A   3           H3*        A   3   3.298  -6.129   3.092
   28    H2*    A   3          1H2*        A   3   1.495  -7.689   3.486
   29   2HO*    A   3          2HO*        A   3   1.597  -9.628   2.632
   30    H1*    A   3           H1*        A   3   2.889  -9.229   5.292
   31    H8     A   3           H8         A   3   4.070  -5.608   5.329
   32   1H6     A   3          1H6         A   3   1.152  -3.982   8.848
   33   2H6     A   3          2H6         A   3  -0.219  -4.676   9.687
   34    H2     A   3           H2         A   3  -0.795  -8.799   8.033
   35   1H5*    A   4          H5*         A   4   1.466  -8.815   0.962
   36   2H5*    A   4          2H5*        A   4   0.919  -8.306  -0.647
   37    H4*    A   4           H4*        A   4  -0.913  -9.414   0.187
   38    H3*    A   4           H3*        A   4  -1.268  -6.467   0.596
   39    H2*    A   4          1H2*        A   4  -3.363  -6.883   1.727
   40   2HO*    A   4          2HO*        A   4  -3.393  -9.027   0.230
   41    H1*    A   4           H1*        A   4  -2.372  -8.842   3.399
   42    H8     A   4           H8         A   4   0.414  -6.418   2.610
   43   1H6     A   4          1H6         A   4  -0.308  -3.289   6.242
   44   2H6     A   4          2H6         A   4  -1.588  -3.068   7.411
   45    H2     A   4           H2         A   4  -4.621  -6.272   6.584
   46   1H5*    G   5          H5*         G   5  -4.657  -7.779  -0.585
   47   2H5*    G   5          2H5*        G   5  -5.529  -6.927  -1.874
   48    H4*    G   5           H4*        G   5  -6.962  -7.039   0.002
   49    H3*    G   5           H3*        G   5  -5.828  -4.268  -0.367
   50    H2*    G   5          1H2*        G   5  -7.254  -3.577   1.465
   51   2HO*    G   5          2HO*        G   5  -8.685  -5.681   0.658
   52    H1*    G   5           H1*        G   5  -6.550  -5.749   3.084
   53    H8     G   5           H8         G   5  -3.401  -4.952   1.358
   54    H1     G   5           H1         G   5  -4.922  -0.632   5.843
   55   1H2     G   5          1H2         G   5  -8.032  -2.105   5.783
   56   2H2     G   5          2H2         G   5  -6.998  -0.866   6.458
   57   1H5*    C   6          H5*         C   6  -9.590  -3.627   0.477
   58   2H5*    C   6          2H5*        C   6 -10.432  -3.165  -1.015
   59    H4*    C   6           H4*        C   6 -11.365  -1.752   0.529
   60    H3*    C   6           H3*        C   6  -9.155  -0.317  -0.894
   61    H2*    C   6          1H2*        C   6  -9.461   1.603   0.513
   62   2HO*    C   6          2HO*        C   6 -11.933   0.859   0.506
   63    H1*    C   6           H1*        C   6  -9.751   0.187   2.907
   64   1H4     C   6          1H4         C   6  -3.263   0.148   1.740
   65   2H4     C   6          2H4         C   6  -3.550   1.552   2.739
   66    H5     C   6           H5         C   6  -5.039  -1.237   0.859
   67    H6     C   6           H6         C   6  -7.455  -1.557   0.757
   68   1H5*    A   7          H5*         A   7  -9.016   3.185  -2.954
   69   2H5*    A   7          2H5*        A   7  -8.707   2.047  -1.628
   70    H4*    A   7           H4*        A   7 -10.562   4.206  -0.954
   71    H3*    A   7           H3*        A   7  -7.865   4.956  -1.989
   72    H2*    A   7          1H2*        A   7  -7.447   6.350  -0.060
   73   2HO*    A   7          2HO*        A   7 -10.219   6.014   0.265
   74    H1*    A   7           H1*        A   7  -8.157   4.490   1.806
   75    H8     A   7           H8         A   7  -7.033   2.032  -0.562
   76   1H6     A   7          1H6         A   7  -2.210   2.433  -0.101
   77   2H6     A   7          2H6         A   7  -1.176   3.665   0.599
   78    H2     A   7           H2         A   7  -3.845   6.890   2.166
   79   1H5*    G   8          H5*         G   8  -6.777   6.612  -1.797
   80   2H5*    G   8          2H5*        G   8  -7.781   7.893  -1.094
   81    H4*    G   8           H4*        G   8  -6.309   9.561  -1.658
   82    H3*    G   8           H3*        G   8  -5.281   7.811  -3.858
   83    H2*    G   8          1H2*        G   8  -3.074   8.751  -3.590
   84   2HO*    G   8          2HO*        G   8  -4.419  10.841  -2.740
   85    H1*    G   8           H1*        G   8  -2.986   8.515  -0.843
   86    H8     G   8           H8         G   8  -5.109   5.684  -1.991
   87    H1     G   8           H1         G   8   1.164   4.640  -2.818
   88   1H2     G   8          1H2         G   8   1.506   7.999  -2.095
   89   2H2     G   8          2H2         G   8   2.296   6.499  -2.528
   90   1H5*    G   9          H5*         G   9  -3.446  10.978  -4.445
   91   2H5*    G   9          2H5*        G   9  -3.691  11.770  -6.013
   92    H4*    G   9           H4*        G   9  -1.381  11.602  -5.773
   93    H3*    G   9           H3*        G   9  -2.323   9.366  -7.570
   94    H2*    G   9          1H2*        G   9   0.004   8.797  -7.861
   95   2HO*    G   9          2HO*        G   9   0.297  11.422  -7.164
   96    H1*    G   9           H1*        G   9   0.642   9.156  -5.127
   97    H8     G   9           H8         G   9  -2.612   7.391  -5.220
   98    H1     G   9           H1         G   9   2.350   3.573  -6.603
   99   1H2     G   9          1H2         G   9   4.154   6.516  -6.807
  100   2H2     G   9          2H2         G   9   4.168   4.771  -6.923
  101   1H5*    C  10          H5*         C  10   1.041  11.371  -8.868
  102   2H5*    C  10          2H5*        C  10   0.709  12.106 -10.449
  103    H4*    C  10           H4*        C  10   2.870  11.344 -10.665
  104    H3*    C  10           H3*        C  10   1.010   9.334 -11.887
  105    H2*    C  10          1H2*        C  10   2.900   7.933 -12.397
  106   2HO*    C  10          2HO*        C  10   4.609   9.082 -12.967
  107    H1*    C  10           H1*        C  10   4.156   8.249  -9.917
  108   1H4     C  10          1H4         C  10  -0.797   3.943  -9.058
  109   2H4     C  10          2H4         C  10   0.677   3.024  -9.138
  110    H5     C  10           H5         C  10  -0.850   6.360  -9.379
  111    H6     C  10           H6         C  10   0.500   8.329  -9.879
  112   1H5*    U  11          H5*         U  11   3.559   9.853 -14.477
  113   2H5*    U  11          2H5*        U  11   3.266  10.085 -16.212
  114    H4*    U  11           H4*        U  11   4.459   8.055 -15.944
  115    H3*    U  11           H3*        U  11   1.587   7.697 -16.716
  116    H2*    U  11          1H2*        U  11   1.761   5.349 -16.508
  117   2HO*    U  11          2HO*        U  11   3.949   4.408 -16.388
  118    H1*    U  11           H1*        U  11   3.851   5.364 -14.496
  119    H3     U  11           H3         U  11   0.567   2.649 -12.888
  120    H5     U  11           H5         U  11  -0.668   6.586 -12.057
  121    H6     U  11           H6         U  11   1.126   7.363 -13.453
  122   1H5*    U  12          H5*         U  12   1.371   5.081 -19.133
  123   2H5*    U  12          2H5*        U  12   3.049   5.519 -18.766
  124    H4*    U  12           H4*        U  12   2.029   4.526 -21.429
  125    H3*    U  12           H3*        U  12   2.236   2.787 -19.477
  126    H2*    U  12          1H2*        U  12   4.362   3.519 -18.575
  127   2HO*    U  12          2HO*        U  12   5.955   2.045 -19.907
  128    H1*    U  12           H1*        U  12   5.568   3.617 -21.376
  129    H3     U  12           H3         U  12   9.260   5.033 -19.220
  130    H5     U  12           H5         U  12   6.332   7.855 -18.188
  131    H6     U  12           H6         U  12   4.709   6.457 -19.283
  132   1H5*    C  13          H5*         C  13   3.856   0.178 -19.269
  133   2H5*    C  13          2H5*        C  13   3.025  -1.227 -19.966
  134    H4*    C  13           H4*        C  13   3.477  -1.469 -17.569
  135    H3*    C  13           H3*        C  13   1.214  -2.342 -18.739
  136    H2*    C  13          1H2*        C  13  -0.119  -0.359 -18.287
  137   2HO*    C  13          2HO*        C  13  -0.323  -1.838 -15.851
  138    H1*    C  13           H1*        C  13   1.151  -0.343 -15.492
  139   1H4     C  13          1H4         C  13  -1.176   5.759 -16.464
  140   2H4     C  13          2H4         C  13  -1.872   5.180 -14.967
  141    H5     C  13           H5         C  13   0.213   4.369 -17.878
  142    H6     C  13           H6         C  13   1.208   2.162 -18.146
  143   1H5*    G  14          H5*         G  14   3.142  -4.511 -17.948
  144   2H5*    G  14          2H5*        G  14   3.139  -6.284 -17.864
  145    H4*    G  14           H4*        G  14   4.877  -6.181 -16.518
  146    H3*    G  14           H3*        G  14   2.934  -4.893 -14.618
  147    H2*    G  14          1H2*        G  14   4.730  -4.132 -13.285
  148   2HO*    G  14          2HO*        G  14   5.747  -6.083 -12.959
  149    H1*    G  14           H1*        G  14   6.684  -4.104 -15.471
  150    H8     G  14           H8         G  14   7.662  -1.814 -15.304
  151    H1     G  14           H1         G  14   2.098   0.735 -13.388
  152   1H2     G  14          1H2         G  14   0.859  -2.485 -13.770
  153   2H2     G  14          2H2         G  14   0.527  -0.822 -13.333
  154   1H5*    G  15          H5*         G  15   3.716  -5.863 -10.063
  155   2H5*    G  15          2H5*        G  15   3.020  -4.840 -11.335
  156    H4*    G  15           H4*        G  15   5.972  -4.868 -10.939
  157    H3*    G  15           H3*        G  15   4.083  -3.647  -8.975
  158    H2*    G  15          1H2*        G  15   5.335  -1.593  -8.976
  159   2HO*    G  15          2HO*        G  15   7.368  -3.067  -9.354
  160    H1*    G  15           H1*        G  15   5.622  -1.394 -11.717
  161    H8     G  15           H8         G  15   2.330  -3.049 -11.180
  162    H1     G  15           H1         G  15   2.164   3.297 -10.383
  163   1H2     G  15          1H2         G  15   5.590   3.096 -10.471
  164   2H2     G  15          2H2         G  15   4.176   4.121 -10.351
  165   1H5*    C  16          H5*         C  16   8.189  -2.516  -7.889
  166   2H5*    C  16          2H5*        C  16   8.282  -2.810  -6.142
  167    H4*    C  16           H4*        C  16   9.036  -0.580  -6.675
  168    H3*    C  16           H3*        C  16   6.518  -0.790  -5.053
  169    H2*    C  16          1H2*        C  16   6.385   1.619  -4.999
  170   2HO*    C  16          2HO*        C  16   8.985   1.459  -5.201
  171    H1*    C  16           H1*        C  16   6.890   1.970  -7.710
  172   1H4     C  16          1H4         C  16   0.689  -0.290  -7.278
  173   2H4     C  16          2H4         C  16   0.599   1.455  -7.436
  174    H5     C  16           H5         C  16   2.810  -1.456  -7.072
  175    H6     C  16           H6         C  16   5.230  -1.185  -6.971
  176   1H5*    C  17          H5*         C  17   9.113   2.302  -3.644
  177   2H5*    C  17          2H5*        C  17   9.523   1.858  -1.976
  178    H4*    C  17           H4*        C  17   9.189   4.145  -1.886
  179    H3*    C  17           H3*        C  17   6.721   2.746  -0.899
  180    H2*    C  17          1H2*        C  17   5.697   4.904  -0.546
  181   2HO*    C  17          2HO*        C  17   8.317   5.672  -0.589
  182    H1*    C  17           H1*        C  17   6.329   5.874  -3.051
  183   1H4     C  17          1H4         C  17   1.752   1.199  -4.091
  184   2H4     C  17          2H4         C  17   0.924   2.731  -4.204
  185    H5     C  17           H5         C  17   4.086   1.001  -3.495
  186    H6     C  17           H6         C  17   6.097   2.229  -2.876
  187   1H5*    U  18          H5*         U  18   8.353   6.362   1.013
  188   2H5*    U  18          2H5*        U  18   9.090   5.529   2.396
  189    H4*    U  18           H4*        U  18   8.682   7.327   3.592
  190    H3*    U  18           H3*        U  18   6.463   5.910   4.021
  191    H2*    U  18          1H2*        U  18   5.051   6.759   2.305
  192   2HO*    U  18          2HO*        U  18   4.947   8.601   4.471
  193    H1*    U  18           H1*        U  18   6.083   9.601   2.633
  194    H3     U  18           H3         U  18   4.527  10.938  -1.304
  195    H5     U  18           H5         U  18   4.879   6.794  -1.828
  196    H6     U  18           H6         U  18   5.792   6.655   0.382
  197   1H5*    U  19          H5*         U  19   3.309   6.599   6.642
  198   2H5*    U  19          2H5*        U  19   4.019   7.358   5.204
  199    H4*    U  19           H4*        U  19   3.471   9.268   7.323
  200    H3*    U  19           H3*        U  19   1.195   7.518   6.468
  201    H2*    U  19          1H2*        U  19  -0.210   9.464   6.223
  202   2HO*    U  19          2HO*        U  19   1.376  10.439   8.067
  203    H1*    U  19           H1*        U  19   1.634  10.958   4.801
  204    H3     U  19           H3         U  19  -1.205   9.480   1.601
  205    H5     U  19           H5         U  19   1.288   6.197   2.382
  206    H6     U  19           H6         U  19   2.220   7.437   4.220
  207   1H5*    G  20          H5*         G  20  -0.873   9.416   8.092
  208   2H5*    G  20          2H5*        G  20  -1.267   9.019   9.775
  209    H4*    G  20           H4*        G  20  -3.311   9.596   8.943
  210    H3*    G  20           H3*        G  20  -3.053   6.617   8.742
  211    H2*    G  20          1H2*        G  20  -5.246   6.529   7.715
  212   2HO*    G  20          2HO*        G  20  -5.525   8.875   8.971
  213    H1*    G  20           H1*        G  20  -4.671   8.429   5.815
  214    H8     G  20           H8         G  20  -1.297   7.174   6.308
  215    H1     G  20           H1         G  20  -5.017   2.869   3.340
  216   1H2     G  20          1H2         G  20  -7.625   4.875   4.372
  217   2H2     G  20          2H2         G  20  -7.118   3.432   3.527
  218   1H5*    U  21          H5*         U  21  -6.594   6.453   9.925
  219   2H5*    U  21          2H5*        U  21  -6.800   5.479  11.394
  220    H4*    U  21           H4*        U  21  -8.160   4.579   9.643
  221    H3*    U  21           H3*        U  21  -5.837   2.861  10.461
  222    H2*    U  21          1H2*        U  21  -6.511   1.225   8.826
  223   2HO*    U  21          2HO*        U  21  -8.880   2.011   9.343
  224    H1*    U  21           H1*        U  21  -6.990   3.067   6.783
  225    H3     U  21           H3         U  21  -3.122   0.713   5.932
  226    H5     U  21           H5         U  21  -1.990   4.149   8.045
  227    H6     U  21           H6         U  21  -4.319   4.556   8.496
  228   1H5*    U  22          H5*         U  22  -9.581   0.251  11.291
  229   2H5*    U  22          2H5*        U  22  -9.089  -0.681  12.718
  230    H4*    U  22           H4*        U  22  -9.911  -2.052  10.818
  231    H3*    U  22           H3*        U  22  -7.150  -2.538  11.910
  232    H2*    U  22          1H2*        U  22  -6.879  -4.307  10.308
  233   2HO*    U  22          2HO*        U  22  -8.565  -5.301   9.406
  234    H1*    U  22           H1*        U  22  -8.066  -2.913   8.168
  235    H3     U  22           H3         U  22  -3.592  -3.496   7.404
  236    H5     U  22           H5         U  22  -3.959   0.120   9.512
  237    H6     U  22           H6         U  22  -6.263  -0.450   9.919
  238   1H5*    U  23          H5*         U  23  -9.023  -6.022  10.876
  239   2H5*    U  23          2H5*        U  23  -9.312  -6.954  12.358
  240    H4*    U  23           H4*        U  23  -8.659  -8.577  10.876
  241    H3*    U  23           H3*        U  23  -6.268  -7.736  12.481
  242    H2*    U  23          1H2*        U  23  -4.904  -9.274  11.217
  243   2HO*    U  23          2HO*        U  23  -7.355 -10.085   9.988
  244    H1*    U  23           H1*        U  23  -5.883  -8.510   8.734
  245    H3     U  23           H3         U  23  -1.959  -6.331   8.708
  246    H5     U  23           H5         U  23  -4.255  -4.192  11.494
  247    H6     U  23           H6         U  23  -5.952  -5.883  11.278
  248   1H5*    C  24          H5*         C  24  -6.154 -11.595  12.482
  249   2H5*    C  24          2H5*        C  24  -5.898 -12.450  14.017
  250    H4*    C  24           H4*        C  24  -4.203 -13.150  12.530
  251    H3*    C  24           H3*        C  24  -3.171 -11.276  14.644
  252    H2*    C  24          1H2*        C  24  -0.968 -11.506  13.696
  253   2HO*    C  24          2HO*        C  24  -1.972 -13.862  12.917
  254    H1*    C  24           H1*        C  24  -1.812 -11.288  11.029
  255   1H4     C  24          1H4         C  24  -1.735  -5.075  13.233
  256   2H4     C  24          2H4         C  24  -0.133  -5.404  12.602
  257    H5     C  24           H5         C  24  -3.427  -6.825  13.423
  258    H6     C  24           H6         C  24  -3.902  -9.187  13.032
  259   1H5*    C  25          H5*         C  25  -0.457 -14.426  14.275
  260   2H5*    C  25          2H5*        C  25  -0.597 -15.358  15.778
  261    H4*    C  25           H4*        C  25   1.664 -15.376  15.389
  262    H3*    C  25           H3*        C  25   1.006 -13.237  17.365
  263    H2*    C  25          1H2*        C  25   3.268 -12.432  17.350
  264   2HO*    C  25          2HO*        C  25   3.925 -14.611  15.623
  265    H1*    C  25           H1*        C  25   3.616 -12.482  14.602
  266   1H4     C  25          1H4         C  25  -0.364  -7.328  15.720
  267   2H4     C  25          2H4         C  25   1.244  -6.681  15.497
  268    H5     C  25           H5         C  25  -0.828  -9.702  15.757
  269    H6     C  25           H6         C  25   0.152 -11.927  15.595
  270    H3T    C  25           H3T        C  25   2.859 -15.172  17.840
  Start of MODEL   10
    1   1H5*    G   1          H5*         G   1   7.095  -1.546  15.630
    2   2H5*    G   1          2H5*        G   1   6.716  -2.327  17.176
    3    H4*    G   1           H4*        G   1   9.217  -3.248  15.997
    4    H3*    G   1           H3*        G   1   6.754  -3.442  14.306
    5    H2*    G   1          1H2*        G   1   7.233  -5.762  13.855
    6   2HO*    G   1          2HO*        G   1   9.720  -4.978  14.277
    7    H1*    G   1           H1*        G   1   7.764  -6.460  16.477
    8    H8     G   1           H8         G   1   5.198  -3.735  16.584
    9    H1     G   1           H1         G   1   2.751  -9.535  15.375
   10   1H2     G   1          1H2         G   1   6.042 -10.506  14.957
   11   2H2     G   1          2H2         G   1   4.352 -10.969  14.944
   12    H5T    G   1           H5T        G   1   9.328  -1.404  16.670
   13   1H5*    G   2          H5*         G   2   9.786  -5.068  12.044
   14   2H5*    G   2          2H5*        G   2  10.083  -4.103  10.583
   15    H4*    G   2           H4*        G   2  10.107  -6.245   9.770
   16    H3*    G   2           H3*        G   2   7.392  -5.070   9.326
   17    H2*    G   2          1H2*        G   2   6.605  -7.184   8.453
   18   2HO*    G   2          2HO*        G   2   9.222  -7.530   7.976
   19    H1*    G   2           H1*        G   2   7.560  -8.709  10.526
   20    H8     G   2           H8         G   2   6.889  -5.282  11.903
   21    H1     G   2           H1         G   2   1.671  -8.986  11.576
   22   1H2     G   2          1H2         G   2   3.674 -11.116   9.705
   23   2H2     G   2          2H2         G   2   2.100 -10.810  10.402
   24   1H5*    A   3          H5*         A   3   8.212  -7.337   6.360
   25   2H5*    A   3          2H5*        A   3   8.261  -6.597   4.748
   26    H4*    A   3           H4*        A   3   6.985  -8.474   4.405
   27    H3*    A   3           H3*        A   3   5.166  -6.125   4.811
   28    H2*    A   3          1H2*        A   3   3.257  -7.598   4.614
   29   2HO*    A   3          2HO*        A   3   5.102  -9.149   3.358
   30    H1*    A   3           H1*        A   3   4.200  -9.468   6.405
   31    H8     A   3           H8         A   3   5.554  -6.071   7.368
   32   1H6     A   3          1H6         A   3   1.980  -4.703  10.346
   33   2H6     A   3          2H6         A   3   0.380  -5.334  10.674
   34    H2     A   3           H2         A   3  -0.106  -8.996   8.137
   35   1H5*    A   4          H5*         A   4   3.882  -8.551   1.980
   36   2H5*    A   4          2H5*        A   4   3.629  -7.842   0.373
   37    H4*    A   4           H4*        A   4   1.768  -9.200   0.778
   38    H3*    A   4           H3*        A   4   1.200  -6.283   1.007
   39    H2*    A   4          1H2*        A   4  -1.039  -6.693   1.773
   40   2HO*    A   4          2HO*        A   4  -2.038  -8.578   1.434
   41    H1*    A   4           H1*        A   4  -0.404  -8.646   3.620
   42    H8     A   4           H8         A   4   2.492  -6.247   3.439
   43   1H6     A   4          1H6         A   4   1.020  -3.068   6.797
   44   2H6     A   4          2H6         A   4  -0.483  -2.833   7.659
   45    H2     A   4           H2         A   4  -3.277  -6.040   6.235
   46   1H5*    G   5          H5*         G   5  -1.872  -7.539  -0.522
   47   2H5*    G   5          2H5*        G   5  -2.520  -6.785  -1.991
   48    H4*    G   5           H4*        G   5  -4.206  -6.585  -0.389
   49    H3*    G   5           H3*        G   5  -2.748  -3.939  -0.532
   50    H2*    G   5          1H2*        G   5  -4.518  -3.123   0.914
   51   2HO*    G   5          2HO*        G   5  -6.189  -4.662   1.552
   52    H1*    G   5           H1*        G   5  -4.323  -5.350   2.620
   53    H8     G   5           H8         G   5  -0.824  -4.655   1.753
   54    H1     G   5           H1         G   5  -3.332  -0.203   5.633
   55   1H2     G   5          1H2         G   5  -6.348  -1.647   4.832
   56   2H2     G   5          2H2         G   5  -5.499  -0.399   5.717
   57   1H5*    C   6          H5*         C   6  -6.793  -3.407  -0.711
   58   2H5*    C   6          2H5*        C   6  -7.169  -2.851  -2.353
   59    H4*    C   6           H4*        C   6  -8.665  -1.667  -1.082
   60    H3*    C   6           H3*        C   6  -6.261   0.086  -1.518
   61    H2*    C   6          1H2*        C   6  -7.398   1.817  -0.250
   62   2HO*    C   6          2HO*        C   6  -9.556   0.585  -1.067
   63    H1*    C   6           H1*        C   6  -8.014   0.142   1.860
   64   1H4     C   6          1H4         C   6  -1.472   0.810   2.345
   65   2H4     C   6          2H4         C   6  -2.131   2.271   3.055
   66    H5     C   6           H5         C   6  -2.854  -0.822   1.201
   67    H6     C   6           H6         C   6  -5.130  -1.379   0.524
   68   1H5*    A   7          H5*         A   7  -9.476   2.071  -2.316
   69   2H5*    A   7          2H5*        A   7  -9.572   3.259  -3.631
   70    H4*    A   7           H4*        A   7 -10.058   4.296  -1.508
   71    H3*    A   7           H3*        A   7  -7.546   5.198  -2.885
   72    H2*    A   7          1H2*        A   7  -7.144   6.732  -1.067
   73   2HO*    A   7          2HO*        A   7  -9.741   6.740  -0.900
   74    H1*    A   7           H1*        A   7  -7.715   4.897   0.953
   75    H8     A   7           H8         A   7  -6.036   2.641  -1.333
   76   1H6     A   7          1H6         A   7  -1.404   3.832  -0.525
   77   2H6     A   7          2H6         A   7  -0.628   5.193   0.263
   78    H2     A   7           H2         A   7  -3.909   7.889   1.684
   79   1H5*    G   8          H5*         G   8  -8.506   8.666  -2.032
   80   2H5*    G   8          2H5*        G   8  -8.935   9.633  -3.457
   81    H4*    G   8           H4*        G   8  -7.336  10.931  -2.468
   82    H3*    G   8           H3*        G   8  -6.060   9.310  -4.623
   83    H2*    G   8          1H2*        G   8  -3.868  10.059  -3.977
   84   2HO*    G   8          2HO*        G   8  -5.141  12.202  -3.250
   85    H1*    G   8           H1*        G   8  -4.178   9.692  -1.260
   86    H8     G   8           H8         G   8  -6.266   7.046  -2.828
   87    H1     G   8           H1         G   8  -0.001   5.677  -2.810
   88   1H2     G   8          1H2         G   8   0.401   8.990  -1.960
   89   2H2     G   8          2H2         G   8   1.173   7.457  -2.305
   90   1H5*    G   9          H5*         G   9  -4.119  12.758  -5.686
   91   2H5*    G   9          2H5*        G   9  -4.307  12.951  -7.439
   92    H4*    G   9           H4*        G   9  -1.978  12.756  -6.872
   93    H3*    G   9           H3*        G   9  -3.062  10.375  -8.375
   94    H2*    G   9          1H2*        G   9  -0.804   9.526  -8.414
   95   2HO*    G   9          2HO*        G   9   0.832  10.881  -8.340
   96    H1*    G   9           H1*        G   9  -0.304  10.156  -5.716
   97    H8     G   9           H8         G   9  -3.784   8.907  -5.821
   98    H1     G   9           H1         G   9   0.566   4.233  -6.453
   99   1H2     G   9          1H2         G   9   2.828   6.806  -6.847
  100   2H2     G   9          2H2         G   9   2.555   5.080  -6.791
  101   1H5*    C  10          H5*         C  10   0.475  11.972  -9.659
  102   2H5*    C  10          2H5*        C  10   0.459  12.416 -11.377
  103    H4*    C  10           H4*        C  10   2.568  11.513 -11.017
  104    H3*    C  10           H3*        C  10   0.786   9.490 -12.337
  105    H2*    C  10          1H2*        C  10   2.624   7.929 -12.324
  106   2HO*    C  10          2HO*        C  10   4.045  10.215 -12.263
  107    H1*    C  10           H1*        C  10   3.376   8.439  -9.686
  108   1H4     C  10          1H4         C  10  -2.083   4.698  -9.427
  109   2H4     C  10          2H4         C  10  -0.721   3.637  -9.223
  110    H5     C  10           H5         C  10  -1.811   7.086  -9.872
  111    H6     C  10           H6         C  10  -0.187   8.862 -10.265
  112   1H5*    U  11          H5*         U  11   3.808   8.622 -14.041
  113   2H5*    U  11          2H5*        U  11   3.794   8.839 -15.801
  114    H4*    U  11           H4*        U  11   4.449   6.627 -15.463
  115    H3*    U  11           H3*        U  11   1.555   6.775 -16.256
  116    H2*    U  11          1H2*        U  11   1.420   4.387 -16.114
  117   2HO*    U  11          2HO*        U  11   3.161   3.126 -16.253
  118    H1*    U  11           H1*        U  11   3.007   4.156 -13.784
  119    H3     U  11           H3         U  11  -1.156   2.822 -12.584
  120    H5     U  11           H5         U  11  -1.276   7.035 -12.500
  121    H6     U  11           H6         U  11   0.896   7.033 -13.531
  122   1H5*    U  12          H5*         U  12   2.312   5.154 -21.267
  123   2H5*    U  12          2H5*        U  12   1.003   4.073 -20.753
  124    H4*    U  12           H4*        U  12   2.550   2.716 -21.854
  125    H3*    U  12           H3*        U  12   1.914   2.004 -19.343
  126    H2*    U  12          1H2*        U  12   3.780   3.027 -18.211
  127   2HO*    U  12          2HO*        U  12   4.789   1.272 -17.519
  128    H1*    U  12           H1*        U  12   5.623   2.116 -20.485
  129    H3     U  12           H3         U  12   9.005   4.013 -18.226
  130    H5     U  12           H5         U  12   6.113   7.053 -18.400
  131    H6     U  12           H6         U  12   4.620   5.467 -19.416
  132   1H5*    C  13          H5*         C  13   3.118  -0.795 -17.541
  133   2H5*    C  13          2H5*        C  13   2.274  -2.168 -18.285
  134    H4*    C  13           H4*        C  13   1.862  -1.999 -15.886
  135    H3*    C  13           H3*        C  13  -0.048  -2.695 -17.636
  136    H2*    C  13          1H2*        C  13  -0.961  -0.477 -17.989
  137   2HO*    C  13          2HO*        C  13  -2.614  -1.880 -17.065
  138    H1*    C  13           H1*        C  13  -0.710  -0.005 -14.967
  139   1H4     C  13          1H4         C  13  -0.935   5.933 -17.851
  140   2H4     C  13          2H4         C  13  -2.210   5.895 -16.654
  141    H5     C  13           H5         C  13   0.455   4.008 -18.338
  142    H6     C  13           H6         C  13   0.891   1.676 -17.785
  143   1H5*    G  14          H5*         G  14   1.075  -4.380 -16.716
  144   2H5*    G  14          2H5*        G  14   0.963  -6.127 -17.003
  145    H4*    G  14           H4*        G  14   2.144  -6.653 -15.178
  146    H3*    G  14           H3*        G  14   0.769  -4.408 -13.716
  147    H2*    G  14          1H2*        G  14   2.603  -4.319 -12.193
  148   2HO*    G  14          2HO*        G  14   2.565  -6.870 -12.448
  149    H1*    G  14           H1*        G  14   4.607  -4.987 -14.139
  150    H8     G  14           H8         G  14   6.041  -2.942 -14.295
  151    H1     G  14           H1         G  14   1.079   0.958 -13.133
  152   1H2     G  14          1H2         G  14  -0.801  -1.968 -13.153
  153   2H2     G  14          2H2         G  14  -0.790  -0.229 -12.969
  154   1H5*    G  15          H5*         G  15   1.517  -6.302  -9.802
  155   2H5*    G  15          2H5*        G  15   0.552  -5.045  -9.004
  156    H4*    G  15           H4*        G  15   3.323  -5.054  -9.658
  157    H3*    G  15           H3*        G  15   1.530  -3.242  -8.092
  158    H2*    G  15          1H2*        G  15   3.156  -1.464  -8.267
  159   2HO*    G  15          2HO*        G  15   4.886  -2.985  -9.868
  160    H1*    G  15           H1*        G  15   3.540  -1.705 -10.979
  161    H8     G  15           H8         G  15   0.033  -2.834 -10.398
  162    H1     G  15           H1         G  15   0.698   3.531 -10.434
  163   1H2     G  15          1H2         G  15   4.071   2.886 -10.352
  164   2H2     G  15          2H2         G  15   2.803   4.088 -10.381
  165   1H5*    C  16          H5*         C  16   5.514  -2.693  -7.023
  166   2H5*    C  16          2H5*        C  16   5.705  -2.674  -5.259
  167    H4*    C  16           H4*        C  16   6.789  -0.764  -6.264
  168    H3*    C  16           H3*        C  16   4.462  -0.214  -4.460
  169    H2*    C  16          1H2*        C  16   4.651   2.140  -4.905
  170   2HO*    C  16          2HO*        C  16   7.215   1.403  -5.421
  171    H1*    C  16           H1*        C  16   5.100   1.907  -7.657
  172   1H4     C  16          1H4         C  16  -1.398   1.051  -6.897
  173   2H4     C  16          2H4         C  16  -1.159   2.731  -7.323
  174    H5     C  16           H5         C  16   0.450  -0.456  -6.464
  175    H6     C  16           H6         C  16   2.878  -0.658  -6.381
  176   1H5*    C  17          H5*         C  17   7.300   2.564  -4.115
  177   2H5*    C  17          2H5*        C  17   8.206   2.302  -2.612
  178    H4*    C  17           H4*        C  17   8.192   4.596  -2.850
  179    H3*    C  17           H3*        C  17   6.101   3.751  -0.885
  180    H2*    C  17          1H2*        C  17   5.356   6.030  -0.663
  181   2HO*    C  17          2HO*        C  17   7.836   6.559  -1.321
  182    H1*    C  17           H1*        C  17   5.189   6.531  -3.366
  183   1H4     C  17          1H4         C  17   0.306   2.187  -2.479
  184   2H4     C  17          2H4         C  17  -0.420   3.764  -2.284
  185    H5     C  17           H5         C  17   2.681   1.864  -2.777
  186    H6     C  17           H6         C  17   4.840   2.982  -2.940
  187   1H5*    U  18          H5*         U  18   7.808   7.159   0.846
  188   2H5*    U  18          2H5*        U  18   9.034   6.425   1.898
  189    H4*    U  18           H4*        U  18   8.260   7.415   3.747
  190    H3*    U  18           H3*        U  18   5.909   6.261   3.449
  191    H2*    U  18          1H2*        U  18   5.002   7.595   1.678
  192   2HO*    U  18          2HO*        U  18   4.408   8.794   4.176
  193    H1*    U  18           H1*        U  18   6.014  10.187   2.897
  194    H3     U  18           H3         U  18   5.870  12.530  -0.870
  195    H5     U  18           H5         U  18   5.746   8.566  -2.248
  196    H6     U  18           H6         U  18   5.987   7.841   0.023
  197   1H5*    U  19          H5*         U  19   4.769  10.045   5.306
  198   2H5*    U  19          2H5*        U  19   4.905   9.616   7.021
  199    H4*    U  19           H4*        U  19   3.264  11.064   7.345
  200    H3*    U  19           H3*        U  19   1.695   8.752   6.246
  201    H2*    U  19          1H2*        U  19  -0.266  10.153   6.167
  202   2HO*    U  19          2HO*        U  19   0.945  11.375   8.165
  203    H1*    U  19           H1*        U  19   1.015  12.354   5.038
  204    H3     U  19           H3         U  19  -1.169  10.803   1.440
  205    H5     U  19           H5         U  19   1.809   7.921   2.100
  206    H6     U  19           H6         U  19   2.385   9.088   4.120
  207   1H5*    G  20          H5*         G  20  -0.897  10.399   8.189
  208   2H5*    G  20          2H5*        G  20  -1.290   9.546   9.693
  209    H4*    G  20           H4*        G  20  -3.334  10.178   8.743
  210    H3*    G  20           H3*        G  20  -2.772   7.255   8.416
  211    H2*    G  20          1H2*        G  20  -4.861   7.001   7.220
  212   2HO*    G  20          2HO*        G  20  -5.443   9.282   8.544
  213    H1*    G  20           H1*        G  20  -4.390   9.070   5.473
  214    H8     G  20           H8         G  20  -0.942   8.131   6.133
  215    H1     G  20           H1         G  20  -3.966   3.663   2.667
  216   1H2     G  20          1H2         G  20  -6.841   5.333   3.586
  217   2H2     G  20          2H2         G  20  -6.134   3.996   2.711
  218   1H5*    U  21          H5*         U  21  -6.257   6.782   8.800
  219   2H5*    U  21          2H5*        U  21  -6.739   5.840  10.224
  220    H4*    U  21           H4*        U  21  -7.686   4.801   8.322
  221    H3*    U  21           H3*        U  21  -5.402   3.269   9.523
  222    H2*    U  21          1H2*        U  21  -5.648   1.590   7.820
  223   2HO*    U  21          2HO*        U  21  -8.128   2.142   7.950
  224    H1*    U  21           H1*        U  21  -5.978   3.383   5.698
  225    H3     U  21           H3         U  21  -1.843   1.359   5.446
  226    H5     U  21           H5         U  21  -1.332   4.856   7.708
  227    H6     U  21           H6         U  21  -3.726   5.070   7.792
  228   1H5*    U  22          H5*         U  22  -9.111   0.521   9.488
  229   2H5*    U  22          2H5*        U  22  -8.967  -0.387  11.005
  230    H4*    U  22           H4*        U  22  -9.381  -1.782   8.990
  231    H3*    U  22           H3*        U  22  -6.957  -2.314  10.690
  232    H2*    U  22          1H2*        U  22  -6.376  -4.123   9.212
  233   2HO*    U  22          2HO*        U  22  -7.825  -5.040   7.885
  234    H1*    U  22           H1*        U  22  -6.919  -2.718   6.849
  235    H3     U  22           H3         U  22  -2.407  -3.442   7.597
  236    H5     U  22           H5         U  22  -3.307   0.428   8.960
  237    H6     U  22           H6         U  22  -5.640  -0.130   8.743
  238   1H5*    U  23          H5*         U  23  -8.734  -5.827   9.354
  239   2H5*    U  23          2H5*        U  23  -9.102  -6.867  10.744
  240    H4*    U  23           H4*        U  23  -8.118  -8.236   9.098
  241    H3*    U  23           H3*        U  23  -6.219  -7.658  11.359
  242    H2*    U  23          1H2*        U  23  -4.589  -9.063  10.258
  243   2HO*    U  23          2HO*        U  23  -6.851 -10.078   9.122
  244    H1*    U  23           H1*        U  23  -5.019  -7.984   7.714
  245    H3     U  23           H3         U  23  -1.026  -6.248   8.881
  246    H5     U  23           H5         U  23  -3.813  -3.992  11.066
  247    H6     U  23           H6         U  23  -5.514  -5.527  10.332
  248   1H5*    C  24          H5*         C  24  -6.169 -11.455  10.249
  249   2H5*    C  24          2H5*        C  24  -6.442 -12.656  11.527
  250    H4*    C  24           H4*        C  24  -4.621 -13.444  10.289
  251    H3*    C  24           H3*        C  24  -3.732 -12.222  12.886
  252    H2*    C  24          1H2*        C  24  -1.450 -12.753  12.303
  253   2HO*    C  24          2HO*        C  24  -2.584 -14.692  10.946
  254    H1*    C  24           H1*        C  24  -1.633 -11.788   9.699
  255   1H4     C  24          1H4         C  24  -1.402  -6.407  13.518
  256   2H4     C  24          2H4         C  24   0.232  -6.702  12.960
  257    H5     C  24           H5         C  24  -3.232  -7.926  13.046
  258    H6     C  24           H6         C  24  -3.854 -10.018  11.957
  259   1H5*    C  25          H5*         C  25  -2.046 -15.826  12.842
  260   2H5*    C  25          2H5*        C  25  -2.224 -16.837  14.289
  261    H4*    C  25           H4*        C  25   0.077 -16.696  13.874
  262    H3*    C  25           H3*        C  25  -0.769 -14.973  16.176
  263    H2*    C  25          1H2*        C  25   1.483 -14.176  16.424
  264   2HO*    C  25          2HO*        C  25   2.119 -16.532  15.573
  265    H1*    C  25           H1*        C  25   1.966 -13.794  13.698
  266   1H4     C  25          1H4         C  25  -1.761  -8.671  15.565
  267   2H4     C  25          2H4         C  25  -0.096  -8.134  15.651
  268    H5     C  25           H5         C  25  -2.367 -10.962  15.044
  269    H6     C  25           H6         C  25  -1.503 -13.180  14.514
  270    H3T    C  25           H3T        C  25  -0.738 -17.161  16.443
  Start of MODEL   11
    1   1H5*    G   1          H5*         G   1   5.391   0.341  15.291
    2   2H5*    G   1          2H5*        G   1   5.989   0.171  16.951
    3    H4*    G   1           H4*        G   1   7.839  -1.234  15.490
    4    H3*    G   1           H3*        G   1   5.216  -1.513  14.070
    5    H2*    G   1          1H2*        G   1   5.503  -3.898  13.987
    6   2HO*    G   1          2HO*        G   1   7.533  -4.470  13.687
    7    H1*    G   1           H1*        G   1   6.342  -4.194  16.621
    8    H8     G   1           H8         G   1   3.775  -1.429  16.285
    9    H1     G   1           H1         G   1   1.307  -7.302  17.001
   10   1H2     G   1          1H2         G   1   4.560  -8.387  16.569
   11   2H2     G   1          2H2         G   1   2.887  -8.822  16.848
   12    H5T    G   1           H5T        G   1   8.059   0.603  15.312
   13   1H5*    G   2          H5*         G   2   8.391  -3.443  11.478
   14   2H5*    G   2          2H5*        G   2   7.768  -3.449   9.817
   15    H4*    G   2           H4*        G   2   8.324  -5.690  10.711
   16    H3*    G   2           H3*        G   2   5.562  -5.114   9.697
   17    H2*    G   2          1H2*        G   2   4.895  -7.358  10.273
   18   2HO*    G   2          2HO*        G   2   7.375  -7.924   9.787
   19    H1*    G   2           H1*        G   2   6.048  -7.356  12.796
   20    H8     G   2           H8         G   2   4.812  -3.896  11.938
   21    H1     G   2           H1         G   2   0.326  -7.767  14.380
   22   1H2     G   2          1H2         G   2   2.672 -10.275  13.914
   23   2H2     G   2          2H2         G   2   1.056  -9.843  14.436
   24   1H5*    A   3          H5*         A   3   6.469  -8.738   7.498
   25   2H5*    A   3          2H5*        A   3   6.460  -8.214   5.802
   26    H4*    A   3           H4*        A   3   5.157 -10.096   5.735
   27    H3*    A   3           H3*        A   3   3.385  -7.695   5.927
   28    H2*    A   3          1H2*        A   3   1.438  -9.119   6.073
   29   2HO*    A   3          2HO*        A   3   1.624 -10.955   5.006
   30    H1*    A   3           H1*        A   3   2.426 -10.711   8.072
   31    H8     A   3           H8         A   3   4.139  -7.402   8.457
   32   1H6     A   3          1H6         A   3   0.846  -5.125  11.194
   33   2H6     A   3          2H6         A   3  -0.799  -5.502  11.658
   34    H2     A   3           H2         A   3  -1.791  -9.457   9.804
   35   1H5*    A   4          H5*         A   4   1.941 -10.290   3.246
   36   2H5*    A   4          2H5*        A   4   1.346  -9.677   1.691
   37    H4*    A   4           H4*        A   4  -0.338 -11.038   2.694
   38    H3*    A   4           H3*        A   4  -0.954  -8.119   2.506
   39    H2*    A   4          1H2*        A   4  -3.042  -8.453   3.668
   40   2HO*    A   4          2HO*        A   4  -2.963 -10.789   2.577
   41    H1*    A   4           H1*        A   4  -2.004 -10.007   5.700
   42    H8     A   4           H8         A   4   0.817  -7.758   4.871
   43   1H6     A   4          1H6         A   4  -0.380  -3.932   7.574
   44   2H6     A   4          2H6         A   4  -1.829  -3.446   8.425
   45    H2     A   4           H2         A   4  -4.836  -6.714   7.724
   46   1H5*    G   5          H5*         G   5  -4.267  -9.661   1.054
   47   2H5*    G   5          2H5*        G   5  -4.869  -8.970  -0.465
   48    H4*    G   5           H4*        G   5  -6.562  -8.651   1.132
   49    H3*    G   5           H3*        G   5  -5.078  -6.066   0.658
   50    H2*    G   5          1H2*        G   5  -6.695  -5.026   2.132
   51   2HO*    G   5          2HO*        G   5  -8.601  -5.939   2.507
   52    H1*    G   5           H1*        G   5  -6.492  -7.028   4.074
   53    H8     G   5           H8         G   5  -3.045  -6.758   2.848
   54    H1     G   5           H1         G   5  -4.775  -1.728   6.431
   55   1H2     G   5          1H2         G   5  -7.984  -2.883   5.962
   56   2H2     G   5          2H2         G   5  -6.944  -1.663   6.661
   57   1H5*    C   6          H5*         C   6  -8.876  -5.032   0.862
   58   2H5*    C   6          2H5*        C   6  -9.421  -4.555  -0.758
   59    H4*    C   6           H4*        C   6 -10.381  -2.953   0.571
   60    H3*    C   6           H3*        C   6  -7.814  -1.864  -0.530
   61    H2*    C   6          1H2*        C   6  -8.162   0.175   0.718
   62   2HO*    C   6          2HO*        C   6 -10.689  -0.486   0.475
   63    H1*    C   6           H1*        C   6  -8.779  -1.083   3.107
   64   1H4     C   6          1H4         C   6  -2.312  -2.180   2.492
   65   2H4     C   6          2H4         C   6  -2.446  -0.648   3.322
   66    H5     C   6           H5         C   6  -4.217  -3.350   1.577
   67    H6     C   6           H6         C   6  -6.637  -3.304   1.294
   68   1H5*    A   7          H5*         A   7 -10.422   0.943  -0.890
   69   2H5*    A   7          2H5*        A   7 -10.372   2.025  -2.295
   70    H4*    A   7           H4*        A   7  -9.984   3.231  -0.224
   71    H3*    A   7           H3*        A   7  -7.674   3.142  -2.156
   72    H2*    A   7          1H2*        A   7  -6.451   4.550  -0.635
   73   2HO*    A   7          2HO*        A   7  -7.439   5.666   0.981
   74    H1*    A   7           H1*        A   7  -7.252   3.168   1.673
   75    H8     A   7           H8         A   7  -6.570   0.332  -0.461
   76   1H6     A   7          1H6         A   7  -1.707   0.281  -0.353
   77   2H6     A   7          2H6         A   7  -0.513   1.463   0.148
   78    H2     A   7           H2         A   7  -2.741   5.088   1.522
   79   1H5*    G   8          H5*         G   8  -6.035   5.343  -2.297
   80   2H5*    G   8          2H5*        G   8  -7.098   6.288  -1.236
   81    H4*    G   8           H4*        G   8  -6.228   8.348  -2.144
   82    H3*    G   8           H3*        G   8  -4.726   6.621  -4.069
   83    H2*    G   8          1H2*        G   8  -2.793   8.038  -3.864
   84   2HO*    G   8          2HO*        G   8  -4.671   9.835  -3.120
   85    H1*    G   8           H1*        G   8  -2.787   8.147  -1.118
   86    H8     G   8           H8         G   8  -4.183   4.816  -1.686
   87    H1     G   8           H1         G   8   2.049   5.100  -3.169
   88   1H2     G   8          1H2         G   8   1.626   8.517  -2.949
   89   2H2     G   8          2H2         G   8   2.710   7.179  -3.256
   90   1H5*    G   9          H5*         G   9  -3.642  10.367  -4.744
   91   2H5*    G   9          2H5*        G   9  -4.265  10.911  -6.314
   92    H4*    G   9           H4*        G   9  -2.091  11.750  -6.181
   93    H3*    G   9           H3*        G   9  -2.202   9.326  -7.953
   94    H2*    G   9          1H2*        G   9   0.174   9.580  -8.354
   95   2HO*    G   9          2HO*        G   9  -0.377  12.114  -7.548
   96    H1*    G   9           H1*        G   9   0.821   9.811  -5.677
   97    H8     G   9           H8         G   9  -2.192   7.641  -5.695
   98    H1     G   9           H1         G   9   3.125   4.564  -7.523
   99   1H2     G   9          1H2         G   9   4.538   7.709  -7.657
  100   2H2     G   9          2H2         G   9   4.756   5.989  -7.875
  101   1H5*    C  10          H5*         C  10   0.304  11.851  -9.432
  102   2H5*    C  10          2H5*        C  10  -0.253  12.575 -10.953
  103    H4*    C  10           H4*        C  10   2.010  12.200 -11.281
  104    H3*    C  10           H3*        C  10   0.413  10.036 -12.612
  105    H2*    C  10          1H2*        C  10   2.469   9.007 -13.327
  106   2HO*    C  10          2HO*        C  10   3.340  11.543 -13.107
  107    H1*    C  10           H1*        C  10   3.799   9.325 -10.881
  108   1H4     C  10          1H4         C  10  -0.267   4.181 -10.100
  109   2H4     C  10          2H4         C  10   1.271   3.514 -10.583
  110    H5     C  10           H5         C  10  -0.695   6.566 -10.010
  111    H6     C  10           H6         C  10   0.263   8.776 -10.389
  112   1H5*    U  11          H5*         U  11   2.620  10.848 -15.220
  113   2H5*    U  11          2H5*        U  11   2.186  11.344 -16.868
  114    H4*    U  11           H4*        U  11   3.400   9.388 -17.162
  115    H3*    U  11           H3*        U  11   0.458   8.817 -17.332
  116    H2*    U  11          1H2*        U  11   0.896   6.495 -17.550
  117   2HO*    U  11          2HO*        U  11   2.946   5.738 -18.175
  118    H1*    U  11           H1*        U  11   3.291   6.486 -15.943
  119    H3     U  11           H3         U  11   0.585   3.361 -14.085
  120    H5     U  11           H5         U  11  -0.919   7.067 -12.761
  121    H6     U  11           H6         U  11   0.580   8.137 -14.308
  122   1H5*    U  12          H5*         U  12   0.536   8.329 -22.610
  123   2H5*    U  12          2H5*        U  12  -0.583   7.013 -22.205
  124    H4*    U  12           H4*        U  12   0.951   6.020 -23.623
  125    H3*    U  12           H3*        U  12   0.803   4.877 -21.222
  126    H2*    U  12          1H2*        U  12   2.550   6.182 -20.156
  127   2HO*    U  12          2HO*        U  12   3.413   3.739 -21.201
  128    H1*    U  12           H1*        U  12   4.268   5.770 -22.665
  129    H3     U  12           H3         U  12   7.558   7.991 -20.582
  130    H5     U  12           H5         U  12   4.248  10.541 -20.171
  131    H6     U  12           H6         U  12   2.899   8.824 -21.182
  132   1H5*    C  13          H5*         C  13   3.047   1.750 -20.272
  133   2H5*    C  13          2H5*        C  13   2.214   0.534 -21.259
  134    H4*    C  13           H4*        C  13   2.335  -0.024 -18.858
  135    H3*    C  13           H3*        C  13   0.302  -0.720 -20.403
  136    H2*    C  13          1H2*        C  13  -0.941   1.378 -20.187
  137   2HO*    C  13          2HO*        C  13  -1.762  -0.677 -18.474
  138    H1*    C  13           H1*        C  13  -0.459   1.205 -17.160
  139   1H4     C  13          1H4         C  13  -1.741   7.535 -18.548
  140   2H4     C  13          2H4         C  13  -2.892   7.029 -17.333
  141    H5     C  13           H5         C  13  -0.145   6.006 -19.550
  142    H6     C  13           H6         C  13   0.654   3.702 -19.583
  143   1H5*    G  14          H5*         G  14   1.183  -3.243 -15.593
  144   2H5*    G  14          2H5*        G  14   1.498  -1.908 -16.714
  145    H4*    G  14           H4*        G  14   2.748  -4.568 -17.218
  146    H3*    G  14           H3*        G  14   3.569  -2.723 -15.000
  147    H2*    G  14          1H2*        G  14   5.875  -3.014 -15.608
  148   2HO*    G  14          2HO*        G  14   4.970  -5.358 -16.464
  149    H1*    G  14           H1*        G  14   5.473  -2.793 -18.361
  150    H8     G  14           H8         G  14   7.193  -0.884 -17.827
  151    H1     G  14           H1         G  14   2.442   2.609 -15.309
  152   1H2     G  14          1H2         G  14   0.621  -0.339 -15.459
  153   2H2     G  14          2H2         G  14   0.640   1.357 -15.027
  154   1H5*    G  15          H5*         G  15   6.129  -4.392 -14.160
  155   2H5*    G  15          2H5*        G  15   6.447  -4.560 -12.424
  156    H4*    G  15           H4*        G  15   7.879  -2.889 -13.471
  157    H3*    G  15           H3*        G  15   5.998  -1.979 -11.324
  158    H2*    G  15          1H2*        G  15   6.850   0.265 -11.571
  159   2HO*    G  15          2HO*        G  15   9.011  -0.993 -12.386
  160    H1*    G  15           H1*        G  15   6.661   0.304 -14.332
  161    H8     G  15           H8         G  15   3.871  -1.871 -13.340
  162    H1     G  15           H1         G  15   2.678   4.301 -12.149
  163   1H2     G  15          1H2         G  15   6.036   4.755 -12.761
  164   2H2     G  15          2H2         G  15   4.498   5.484 -12.358
  165   1H5*    C  16          H5*         C  16   9.813  -0.182 -10.448
  166   2H5*    C  16          2H5*        C  16  10.090  -0.378  -8.707
  167    H4*    C  16           H4*        C  16  10.353   1.940  -9.471
  168    H3*    C  16           H3*        C  16   8.202   1.381  -7.437
  169    H2*    C  16          1H2*        C  16   7.738   3.750  -7.400
  170   2HO*    C  16          2HO*        C  16  10.311   3.837  -8.290
  171    H1*    C  16           H1*        C  16   7.859   4.060 -10.189
  172   1H4     C  16          1H4         C  16   1.909   1.475  -9.014
  173   2H4     C  16          2H4         C  16   1.722   3.204  -8.809
  174    H5     C  16           H5         C  16   4.074   0.435  -9.361
  175    H6     C  16           H6         C  16   6.467   0.847  -9.601
  176   1H5*    C  17          H5*         C  17   9.760   4.987  -6.703
  177   2H5*    C  17          2H5*        C  17  10.830   4.760  -5.307
  178    H4*    C  17           H4*        C  17   9.877   6.837  -4.954
  179    H3*    C  17           H3*        C  17   8.459   4.779  -3.293
  180    H2*    C  17          1H2*        C  17   6.989   6.498  -2.464
  181   2HO*    C  17          2HO*        C  17   8.733   8.268  -3.876
  182    H1*    C  17           H1*        C  17   6.482   7.631  -4.953
  183   1H4     C  17          1H4         C  17   3.060   1.981  -4.931
  184   2H4     C  17          2H4         C  17   1.933   3.233  -4.472
  185    H5     C  17           H5         C  17   5.424   2.388  -5.259
  186    H6     C  17           H6         C  17   7.181   4.079  -5.219
  187   1H5*    U  18          H5*         U  18   9.744   7.188   0.215
  188   2H5*    U  18          2H5*        U  18  10.905   6.052   0.925
  189    H4*    U  18           H4*        U  18   9.533   5.454   2.609
  190    H3*    U  18           H3*        U  18   7.566   4.755   1.020
  191    H2*    U  18          1H2*        U  18   6.787   6.877   0.231
  192   2HO*    U  18          2HO*        U  18   5.586   6.675   2.820
  193    H1*    U  18           H1*        U  18   7.049   8.316   2.859
  194    H3     U  18           H3         U  18   8.053  12.306   1.171
  195    H5     U  18           H5         U  18   8.471   9.767  -2.143
  196    H6     U  18           H6         U  18   8.065   7.903  -0.677
  197   1H5*    U  19          H5*         U  19   6.395   5.858   4.898
  198   2H5*    U  19          2H5*        U  19   5.569   4.770   6.029
  199    H4*    U  19           H4*        U  19   4.944   7.100   6.370
  200    H3*    U  19           H3*        U  19   2.800   5.163   5.570
  201    H2*    U  19          1H2*        U  19   1.189   6.952   5.581
  202   2HO*    U  19          2HO*        U  19   2.870   7.956   7.378
  203    H1*    U  19           H1*        U  19   2.799   8.804   4.252
  204    H3     U  19           H3         U  19  -0.534   7.260   1.469
  205    H5     U  19           H5         U  19   2.799   4.788   0.850
  206    H6     U  19           H6         U  19   3.819   5.811   2.775
  207   1H5*    G  20          H5*         G  20   1.064   7.373   7.761
  208   2H5*    G  20          2H5*        G  20   0.474   6.757   9.315
  209    H4*    G  20           H4*        G  20  -1.291   7.961   8.322
  210    H3*    G  20           H3*        G  20  -1.688   4.995   8.294
  211    H2*    G  20          1H2*        G  20  -3.804   5.304   7.149
  212   2HO*    G  20          2HO*        G  20  -3.648   7.718   8.263
  213    H1*    G  20           H1*        G  20  -2.762   6.886   5.169
  214    H8     G  20           H8         G  20   0.281   5.084   5.911
  215    H1     G  20           H1         G  20  -4.042   1.257   3.127
  216   1H2     G  20          1H2         G  20  -6.294   3.759   3.913
  217   2H2     G  20          2H2         G  20  -6.044   2.177   3.209
  218   1H5*    U  21          H5*         U  21  -5.083   5.964   9.270
  219   2H5*    U  21          2H5*        U  21  -5.711   5.415  10.837
  220    H4*    U  21           H4*        U  21  -7.284   4.727   9.256
  221    H3*    U  21           H3*        U  21  -5.589   2.484  10.256
  222    H2*    U  21          1H2*        U  21  -6.582   0.948   8.697
  223   2HO*    U  21          2HO*        U  21  -8.680   2.377   9.024
  224    H1*    U  21           H1*        U  21  -6.488   2.612   6.484
  225    H3     U  21           H3         U  21  -3.115  -0.470   6.077
  226    H5     U  21           H5         U  21  -1.471   2.792   8.120
  227    H6     U  21           H6         U  21  -3.696   3.678   8.350
  228   1H5*    U  22          H5*         U  22  -9.700   0.854  11.279
  229   2H5*    U  22          2H5*        U  22  -9.422  -0.010  12.803
  230    H4*    U  22           H4*        U  22 -10.320  -1.412  10.959
  231    H3*    U  22           H3*        U  22  -7.732  -2.177  12.288
  232    H2*    U  22          1H2*        U  22  -7.640  -4.117  10.858
  233   2HO*    U  22          2HO*        U  22  -9.387  -4.830   9.751
  234    H1*    U  22           H1*        U  22  -8.333  -2.741   8.526
  235    H3     U  22           H3         U  22  -3.886  -3.925   8.523
  236    H5     U  22           H5         U  22  -4.108  -0.047  10.137
  237    H6     U  22           H6         U  22  -6.495  -0.326  10.260
  238   1H5*    U  23          H5*         U  23  -9.826  -5.453  11.307
  239   2H5*    U  23          2H5*        U  23 -10.346  -6.273  12.792
  240    H4*    U  23           H4*        U  23  -9.669  -8.007  11.428
  241    H3*    U  23           H3*        U  23  -7.456  -7.318  13.337
  242    H2*    U  23          1H2*        U  23  -6.105  -9.051  12.341
  243   2HO*    U  23          2HO*        U  23  -7.181 -10.739  11.617
  244    H1*    U  23           H1*        U  23  -6.672  -8.334   9.711
  245    H3     U  23           H3         U  23  -2.502  -6.715  10.203
  246    H5     U  23           H5         U  23  -4.896  -4.016  12.348
  247    H6     U  23           H6         U  23  -6.752  -5.507  12.001
  248   1H5*    C  24          H5*         C  24  -7.431 -11.040  13.408
  249   2H5*    C  24          2H5*        C  24  -7.767 -11.841  14.955
  250    H4*    C  24           H4*        C  24  -5.814 -12.839  14.208
  251    H3*    C  24           H3*        C  24  -5.194 -10.746  16.268
  252    H2*    C  24          1H2*        C  24  -2.848 -11.219  16.013
  253   2HO*    C  24          2HO*        C  24  -2.396 -13.253  15.614
  254    H1*    C  24           H1*        C  24  -2.887 -11.301  13.223
  255   1H4     C  24          1H4         C  24  -3.123  -4.857  14.563
  256   2H4     C  24          2H4         C  24  -1.426  -5.289  14.553
  257    H5     C  24           H5         C  24  -4.882  -6.532  14.396
  258    H6     C  24           H6         C  24  -5.349  -8.915  14.170
  259   1H5*    C  25          H5*         C  25  -3.261 -14.160  17.317
  260   2H5*    C  25          2H5*        C  25  -3.254 -14.573  19.043
  261    H4*    C  25           H4*        C  25  -1.004 -14.474  18.331
  262    H3*    C  25           H3*        C  25  -1.825 -12.166  20.056
  263    H2*    C  25          1H2*        C  25   0.346 -11.173  19.802
  264   2HO*    C  25          2HO*        C  25   1.130 -13.642  19.661
  265    H1*    C  25           H1*        C  25   0.595 -11.681  17.062
  266   1H4     C  25          1H4         C  25  -3.371  -6.419  17.600
  267   2H4     C  25          2H4         C  25  -1.789  -5.836  17.124
  268    H5     C  25           H5         C  25  -3.796  -8.760  18.107
  269    H6     C  25           H6         C  25  -2.796 -10.982  18.245
  270    H3T    C  25           H3T        C  25  -1.564 -14.117  21.009
  Start of MODEL   12
    1   1H5*    G   1          H5*         G   1   6.760   0.016  16.203
    2   2H5*    G   1          2H5*        G   1   8.406   0.286  16.805
    3    H4*    G   1           H4*        G   1   9.253  -1.222  15.036
    4    H3*    G   1           H3*        G   1   6.347  -1.557  14.352
    5    H2*    G   1          1H2*        G   1   6.746  -3.899  13.959
    6   2HO*    G   1          2HO*        G   1   8.659  -4.307  13.116
    7    H1*    G   1           H1*        G   1   8.277  -4.293  16.258
    8    H8     G   1           H8         G   1   5.575  -1.805  17.027
    9    H1     G   1           H1         G   1   3.599  -7.904  17.127
   10   1H2     G   1          1H2         G   1   6.699  -8.603  15.769
   11   2H2     G   1          2H2         G   1   5.162  -9.228  16.323
   12    H5T    G   1           H5T        G   1   7.352   1.733  15.064
   13   1H5*    G   2          H5*         G   2   8.972  -3.139  11.535
   14   2H5*    G   2          2H5*        G   2   8.601  -2.788   9.836
   15    H4*    G   2           H4*        G   2   9.140  -5.102  10.064
   16    H3*    G   2           H3*        G   2   6.291  -4.501   9.369
   17    H2*    G   2          1H2*        G   2   5.765  -6.854   9.445
   18   2HO*    G   2          2HO*        G   2   8.347  -7.085   8.868
   19    H1*    G   2           H1*        G   2   6.995  -7.348  11.860
   20    H8     G   2           H8         G   2   5.907  -3.826  12.165
   21    H1     G   2           H1         G   2   1.074  -7.952  12.927
   22   1H2     G   2          1H2         G   2   3.296 -10.318  11.675
   23   2H2     G   2          2H2         G   2   1.682  -9.982  12.265
   24   1H5*    A   3          H5*         A   3   7.412  -7.457   6.391
   25   2H5*    A   3          2H5*        A   3   7.361  -6.560   4.861
   26    H4*    A   3           H4*        A   3   6.286  -8.515   4.330
   27    H3*    A   3           H3*        A   3   4.252  -6.414   4.958
   28    H2*    A   3          1H2*        A   3   2.475  -8.045   4.719
   29   2HO*    A   3          2HO*        A   3   4.337  -9.307   3.260
   30    H1*    A   3           H1*        A   3   3.586  -9.874   6.416
   31    H8     A   3           H8         A   3   5.086  -6.758   7.710
   32   1H6     A   3          1H6         A   3   1.467  -5.178  10.522
   33   2H6     A   3          2H6         A   3  -0.223  -5.609  10.669
   34    H2     A   3           H2         A   3  -0.946  -8.950   7.768
   35   1H5*    A   4          H5*         A   4   3.016  -8.609   2.012
   36   2H5*    A   4          2H5*        A   4   2.246  -7.863   0.598
   37    H4*    A   4           H4*        A   4   0.797  -9.527   1.547
   38    H3*    A   4           H3*        A   4  -0.138  -6.689   1.709
   39    H2*    A   4          1H2*        A   4  -2.101  -7.387   2.925
   40   2HO*    A   4          2HO*        A   4  -1.768  -9.600   1.584
   41    H1*    A   4           H1*        A   4  -0.772  -9.036   4.704
   42    H8     A   4           H8         A   4   1.758  -6.428   4.168
   43   1H6     A   4          1H6         A   4   0.169  -3.071   7.278
   44   2H6     A   4          2H6         A   4  -1.338  -2.830   8.131
   45    H2     A   4           H2         A   4  -4.002  -6.259   6.989
   46   1H5*    G   5          H5*         G   5  -3.323  -8.428   0.469
   47   2H5*    G   5          2H5*        G   5  -4.007  -7.891  -1.078
   48    H4*    G   5           H4*        G   5  -5.779  -7.707   0.388
   49    H3*    G   5           H3*        G   5  -4.503  -4.990   0.125
   50    H2*    G   5          1H2*        G   5  -6.244  -4.154   1.590
   51   2HO*    G   5          2HO*        G   5  -8.091  -5.215   1.776
   52    H1*    G   5           H1*        G   5  -5.918  -6.190   3.458
   53    H8     G   5           H8         G   5  -2.481  -5.687   2.241
   54    H1     G   5           H1         G   5  -4.460  -0.938   6.068
   55   1H2     G   5          1H2         G   5  -7.601  -2.266   5.596
   56   2H2     G   5          2H2         G   5  -6.618  -1.022   6.338
   57   1H5*    C   6          H5*         C   6  -8.303  -4.266   0.207
   58   2H5*    C   6          2H5*        C   6  -8.866  -3.738  -1.391
   59    H4*    C   6           H4*        C   6  -9.962  -2.299   0.016
   60    H3*    C   6           H3*        C   6  -7.469  -0.946  -0.966
   61    H2*    C   6          1H2*        C   6  -8.038   0.987   0.373
   62   2HO*    C   6          2HO*        C   6 -10.494   0.069   0.054
   63    H1*    C   6           H1*        C   6  -8.572  -0.460   2.673
   64   1H4     C   6          1H4         C   6  -2.018  -0.862   2.123
   65   2H4     C   6          2H4         C   6  -2.315   0.626   2.994
   66    H5     C   6           H5         C   6  -3.784  -2.200   1.163
   67    H6     C   6           H6         C   6  -6.193  -2.389   0.843
   68   1H5*    A   7          H5*         A   7 -10.457   1.632  -1.665
   69   2H5*    A   7          2H5*        A   7 -10.326   2.696  -3.078
   70    H4*    A   7           H4*        A   7 -10.334   3.971  -1.022
   71    H3*    A   7           H3*        A   7  -7.733   4.052  -2.549
   72    H2*    A   7          1H2*        A   7  -6.995   5.688  -0.914
   73   2HO*    A   7          2HO*        A   7  -9.534   6.223  -0.720
   74    H1*    A   7           H1*        A   7  -7.851   4.160   1.258
   75    H8     A   7           H8         A   7  -6.716   1.482  -0.928
   76   1H6     A   7          1H6         A   7  -1.907   1.811  -0.346
   77   2H6     A   7          2H6         A   7  -0.863   3.036   0.347
   78    H2     A   7           H2         A   7  -3.514   6.355   1.759
   79   1H5*    G   8          H5*         G   8  -7.916   7.487  -1.801
   80   2H5*    G   8          2H5*        G   8  -8.486   8.552  -3.101
   81    H4*    G   8           H4*        G   8  -6.765   9.818  -2.442
   82    H3*    G   8           H3*        G   8  -5.524   7.870  -4.347
   83    H2*    G   8          1H2*        G   8  -3.332   8.721  -3.802
   84   2HO*    G   8          2HO*        G   8  -4.718  10.898  -3.176
   85    H1*    G   8           H1*        G   8  -3.661   8.566  -1.079
   86    H8     G   8           H8         G   8  -5.865   5.887  -2.398
   87    H1     G   8           H1         G   8   0.349   4.317  -2.514
   88   1H2     G   8          1H2         G   8   0.882   7.662  -1.867
   89   2H2     G   8          2H2         G   8   1.593   6.092  -2.165
   90   1H5*    G   9          H5*         G   9  -3.776  11.278  -5.109
   91   2H5*    G   9          2H5*        G   9  -3.916  11.899  -6.765
   92    H4*    G   9           H4*        G   9  -1.646  12.038  -6.228
   93    H3*    G   9           H3*        G   9  -2.182   9.667  -8.001
   94    H2*    G   9          1H2*        G   9   0.191   9.194  -7.966
   95   2HO*    G   9          2HO*        G   9   0.298  11.821  -7.326
   96    H1*    G   9           H1*        G   9   0.424   9.435  -5.209
   97    H8     G   9           H8         G   9  -2.981   8.066  -5.663
   98    H1     G   9           H1         G   9   1.608   3.708  -6.689
   99   1H2     G   9          1H2         G   9   3.755   6.411  -6.640
  100   2H2     G   9          2H2         G   9   3.572   4.680  -6.810
  101   1H5*    C  10          H5*         C  10   1.105  11.331  -8.989
  102   2H5*    C  10          2H5*        C  10   1.119  12.105 -10.586
  103    H4*    C  10           H4*        C  10   3.192  11.075 -10.411
  104    H3*    C  10           H3*        C  10   1.337   9.443 -12.107
  105    H2*    C  10          1H2*        C  10   3.045   7.780 -12.371
  106   2HO*    C  10          2HO*        C  10   5.036   8.493 -12.478
  107    H1*    C  10           H1*        C  10   3.926   7.835  -9.702
  108   1H4     C  10          1H4         C  10  -1.511   4.080  -9.839
  109   2H4     C  10          2H4         C  10  -0.150   2.992  -9.881
  110    H5     C  10           H5         C  10  -1.259   6.497  -9.919
  111    H6     C  10           H6         C  10   0.346   8.327 -10.083
  112   1H5*    U  11          H5*         U  11   4.266   9.528 -14.126
  113   2H5*    U  11          2H5*        U  11   4.370   9.990 -15.836
  114    H4*    U  11           H4*        U  11   5.030   7.762 -15.793
  115    H3*    U  11           H3*        U  11   2.171   7.989 -16.683
  116    H2*    U  11          1H2*        U  11   1.998   5.624 -16.784
  117   2HO*    U  11          2HO*        U  11   3.756   4.325 -17.053
  118    H1*    U  11           H1*        U  11   3.837   5.100 -14.624
  119    H3     U  11           H3         U  11   0.027   2.943 -13.485
  120    H5     U  11           H5         U  11  -0.716   7.003 -12.648
  121    H6     U  11           H6         U  11   1.350   7.527 -13.761
  122   1H5*    U  12          H5*         U  12   3.463   7.160 -21.758
  123   2H5*    U  12          2H5*        U  12   1.950   6.234 -21.717
  124    H4*    U  12           H4*        U  12   3.457   4.758 -22.651
  125    H3*    U  12           H3*        U  12   2.372   3.869 -20.384
  126    H2*    U  12          1H2*        U  12   4.077   4.712 -18.878
  127   2HO*    U  12          2HO*        U  12   5.679   2.604 -19.118
  128    H1*    U  12           H1*        U  12   6.201   3.688 -20.842
  129    H3     U  12           H3         U  12   9.325   5.065 -17.938
  130    H5     U  12           H5         U  12   6.870   8.439 -18.403
  131    H6     U  12           H6         U  12   5.402   7.089 -19.748
  132   1H5*    C  13          H5*         C  13   3.263   0.395 -18.854
  133   2H5*    C  13          2H5*        C  13   2.426  -0.643 -20.024
  134    H4*    C  13           H4*        C  13   1.705  -1.008 -17.708
  135    H3*    C  13           H3*        C  13   0.039  -1.158 -19.780
  136    H2*    C  13          1H2*        C  13  -0.598   1.195 -19.817
  137   2HO*    C  13          2HO*        C  13  -2.334  -0.465 -18.387
  138    H1*    C  13           H1*        C  13  -0.896   1.055 -16.765
  139   1H4     C  13          1H4         C  13  -0.024   7.404 -18.381
  140   2H4     C  13          2H4         C  13  -1.506   7.300 -17.458
  141    H5     C  13           H5         C  13   1.264   5.441 -18.999
  142    H6     C  13           H6         C  13   1.382   3.010 -18.851
  143   1H5*    G  14          H5*         G  14  -0.926  -3.832 -15.037
  144   2H5*    G  14          2H5*        G  14  -0.115  -2.542 -15.942
  145    H4*    G  14           H4*        G  14   0.593  -5.417 -16.396
  146    H3*    G  14           H3*        G  14   1.481  -3.748 -14.061
  147    H2*    G  14          1H2*        G  14   3.709  -4.611 -14.327
  148   2HO*    G  14          2HO*        G  14   2.403  -6.692 -15.315
  149    H1*    G  14           H1*        G  14   3.751  -4.372 -17.115
  150    H8     G  14           H8         G  14   5.816  -2.945 -16.371
  151    H1     G  14           H1         G  14   1.848   1.670 -14.350
  152   1H2     G  14          1H2         G  14  -0.632  -0.714 -14.776
  153   2H2     G  14          2H2         G  14  -0.231   0.923 -14.307
  154   1H5*    G  15          H5*         G  15   3.364  -5.972 -12.846
  155   2H5*    G  15          2H5*        G  15   3.387  -6.164 -11.083
  156    H4*    G  15           H4*        G  15   5.321  -4.928 -11.899
  157    H3*    G  15           H3*        G  15   3.433  -3.496 -10.062
  158    H2*    G  15          1H2*        G  15   4.875  -1.563 -10.161
  159   2HO*    G  15          2HO*        G  15   6.791  -1.823 -11.653
  160    H1*    G  15           H1*        G  15   5.079  -1.565 -12.919
  161    H8     G  15           H8         G  15   1.724  -2.927 -12.393
  162    H1     G  15           H1         G  15   1.975   3.347 -11.156
  163   1H2     G  15          1H2         G  15   5.398   2.915 -11.256
  164   2H2     G  15          2H2         G  15   4.059   4.018 -11.048
  165   1H5*    C  16          H5*         C  16   7.488  -2.648  -8.452
  166   2H5*    C  16          2H5*        C  16   7.278  -2.904  -6.709
  167    H4*    C  16           H4*        C  16   8.311  -0.738  -7.289
  168    H3*    C  16           H3*        C  16   5.710  -0.696  -5.764
  169    H2*    C  16          1H2*        C  16   5.940   1.713  -5.662
  170   2HO*    C  16          2HO*        C  16   8.538   1.083  -5.996
  171    H1*    C  16           H1*        C  16   6.610   1.973  -8.365
  172   1H4     C  16          1H4         C  16   0.097   0.925  -8.327
  173   2H4     C  16          2H4         C  16   0.292   2.642  -8.049
  174    H5     C  16           H5         C  16   1.975  -0.609  -8.387
  175    H6     C  16           H6         C  16   4.401  -0.797  -8.208
  176   1H5*    C  17          H5*         C  17   8.214   2.068  -4.542
  177   2H5*    C  17          2H5*        C  17   8.762   1.784  -2.879
  178    H4*    C  17           H4*        C  17   8.470   4.088  -3.055
  179    H3*    C  17           H3*        C  17   6.143   2.873  -1.589
  180    H2*    C  17          1H2*        C  17   5.261   5.106  -1.310
  181   2HO*    C  17          2HO*        C  17   7.664   5.933  -2.625
  182    H1*    C  17           H1*        C  17   5.549   5.771  -3.979
  183   1H4     C  17          1H4         C  17   0.678   1.334  -4.177
  184   2H4     C  17          2H4         C  17  -0.117   2.867  -3.937
  185    H5     C  17           H5         C  17   3.078   1.058  -4.124
  186    H6     C  17           H6         C  17   5.212   2.208  -3.856
  187   1H5*    U  18          H5*         U  18   7.920   6.587  -0.065
  188   2H5*    U  18          2H5*        U  18   8.945   5.748   1.115
  189    H4*    U  18           H4*        U  18   8.648   7.340   2.593
  190    H3*    U  18           H3*        U  18   6.293   6.207   3.029
  191    H2*    U  18          1H2*        U  18   4.952   7.242   1.354
  192   2HO*    U  18          2HO*        U  18   5.054   8.845   3.663
  193    H1*    U  18           H1*        U  18   6.245   9.960   1.667
  194    H3     U  18           H3         U  18   5.143  11.391  -2.372
  195    H5     U  18           H5         U  18   4.875   7.225  -2.793
  196    H6     U  18           H6         U  18   5.663   7.011  -0.537
  197   1H5*    U  19          H5*         U  19   3.733   6.378   5.820
  198   2H5*    U  19          2H5*        U  19   4.241   7.454   4.503
  199    H4*    U  19           H4*        U  19   3.729   8.904   6.959
  200    H3*    U  19           H3*        U  19   1.532   7.089   6.024
  201    H2*    U  19          1H2*        U  19  -0.048   8.888   6.255
  202   2HO*    U  19          2HO*        U  19   1.635   9.657   8.130
  203    H1*    U  19           H1*        U  19   1.566  10.845   5.088
  204    H3     U  19           H3         U  19  -1.855   9.707   2.235
  205    H5     U  19           H5         U  19   1.364   7.182   1.300
  206    H6     U  19           H6         U  19   2.460   7.966   3.294
  207   1H5*    G  20          H5*         G  20  -0.474   9.057   8.255
  208   2H5*    G  20          2H5*        G  20  -1.060   8.156   9.666
  209    H4*    G  20           H4*        G  20  -2.876   9.307   8.585
  210    H3*    G  20           H3*        G  20  -2.934   6.321   8.584
  211    H2*    G  20          1H2*        G  20  -4.965   6.328   7.275
  212   2HO*    G  20          2HO*        G  20  -5.206   8.768   8.358
  213    H1*    G  20           H1*        G  20  -4.054   8.080   5.364
  214    H8     G  20           H8         G  20  -0.861   6.624   6.305
  215    H1     G  20           H1         G  20  -4.472   2.452   3.043
  216   1H2     G  20          1H2         G  20  -7.053   4.665   3.694
  217   2H2     G  20          2H2         G  20  -6.563   3.152   2.966
  218   1H5*    U  21          H5*         U  21  -6.555   6.390   9.295
  219   2H5*    U  21          2H5*        U  21  -6.967   5.553  10.804
  220    H4*    U  21           H4*        U  21  -8.101   4.483   9.007
  221    H3*    U  21           H3*        U  21  -5.858   2.855  10.171
  222    H2*    U  21          1H2*        U  21  -6.388   1.098   8.608
  223   2HO*    U  21          2HO*        U  21  -8.800   2.075   8.815
  224    H1*    U  21           H1*        U  21  -6.673   2.792   6.403
  225    H3     U  21           H3         U  21  -2.764   0.472   5.906
  226    H5     U  21           H5         U  21  -1.801   3.830   8.222
  227    H6     U  21           H6         U  21  -4.157   4.285   8.413
  228   1H5*    U  22          H5*         U  22  -9.709   0.336  10.912
  229   2H5*    U  22          2H5*        U  22  -9.309  -0.574  12.381
  230    H4*    U  22           H4*        U  22 -10.052  -1.968  10.465
  231    H3*    U  22           H3*        U  22  -7.364  -2.495  11.711
  232    H2*    U  22          1H2*        U  22  -7.085  -4.327  10.156
  233   2HO*    U  22          2HO*        U  22  -9.798  -4.160  10.105
  234    H1*    U  22           H1*        U  22  -7.909  -2.874   7.929
  235    H3     U  22           H3         U  22  -3.348  -3.426   7.892
  236    H5     U  22           H5         U  22  -4.092   0.200   9.883
  237    H6     U  22           H6         U  22  -6.423  -0.396   9.924
  238   1H5*    U  23          H5*         U  23  -9.211  -5.856  10.542
  239   2H5*    U  23          2H5*        U  23  -9.646  -6.832  11.958
  240    H4*    U  23           H4*        U  23  -8.955  -8.402  10.415
  241    H3*    U  23           H3*        U  23  -6.673  -7.815  12.281
  242    H2*    U  23          1H2*        U  23  -5.341  -9.423  11.057
  243   2HO*    U  23          2HO*        U  23  -6.400 -11.027  10.144
  244    H1*    U  23           H1*        U  23  -5.994  -8.407   8.562
  245    H3     U  23           H3         U  23  -1.860  -6.733   9.285
  246    H5     U  23           H5         U  23  -4.373  -4.314  11.611
  247    H6     U  23           H6         U  23  -6.176  -5.819  11.093
  248   1H5*    C  24          H5*         C  24  -6.498 -11.519  11.841
  249   2H5*    C  24          2H5*        C  24  -6.370 -12.526  13.295
  250    H4*    C  24           H4*        C  24  -4.517 -13.044  11.938
  251    H3*    C  24           H3*        C  24  -3.721 -11.317  14.274
  252    H2*    C  24          1H2*        C  24  -1.434 -11.516  13.522
  253   2HO*    C  24          2HO*        C  24  -1.167 -12.818  11.473
  254    H1*    C  24           H1*        C  24  -2.043 -11.002  10.841
  255   1H4     C  24          1H4         C  24  -2.293  -5.108  13.787
  256   2H4     C  24          2H4         C  24  -0.596  -5.409  13.442
  257    H5     C  24           H5         C  24  -3.994  -6.813  13.424
  258    H6     C  24           H6         C  24  -4.391  -9.101  12.682
  259   1H5*    C  25          H5*         C  25  -0.940 -14.211  13.691
  260   2H5*    C  25          2H5*        C  25  -1.020 -15.328  15.068
  261    H4*    C  25           H4*        C  25   1.247 -15.124  14.596
  262    H3*    C  25           H3*        C  25   0.490 -13.462  16.973
  263    H2*    C  25          1H2*        C  25   2.743 -12.643  17.131
  264   2HO*    C  25          2HO*        C  25   3.388 -14.962  16.241
  265    H1*    C  25           H1*        C  25   3.086 -12.191  14.396
  266   1H4     C  25          1H4         C  25  -0.612  -7.156  16.542
  267   2H4     C  25          2H4         C  25   1.051  -6.617  16.617
  268    H5     C  25           H5         C  25  -1.218  -9.439  15.968
  269    H6     C  25           H6         C  25  -0.352 -11.635  15.351
  270    H3T    C  25           H3T        C  25   0.575 -15.698  17.103
  Start of MODEL   13
    1   1H5*    G   1          H5*         G   1   5.400   1.431  15.595
    2   2H5*    G   1          2H5*        G   1   4.470   0.984  17.037
    3    H4*    G   1           H4*        G   1   7.048  -0.402  16.674
    4    H3*    G   1           H3*        G   1   4.852  -0.738  14.656
    5    H2*    G   1          1H2*        G   1   5.134  -3.119  14.755
    6   2HO*    G   1          2HO*        G   1   7.225  -3.596  14.897
    7    H1*    G   1           H1*        G   1   5.381  -3.268  17.539
    8    H8     G   1           H8         G   1   2.821  -0.694  16.469
    9    H1     G   1           H1         G   1   0.593  -6.696  16.864
   10   1H2     G   1          1H2         G   1   3.914  -7.566  17.266
   11   2H2     G   1          2H2         G   1   2.253  -8.103  17.161
   12    H5T    G   1           H5T        G   1   5.795   2.246  18.052
   13   1H5*    G   2          H5*         G   2   8.672  -2.737  13.245
   14   2H5*    G   2          2H5*        G   2   8.688  -2.649  11.472
   15    H4*    G   2           H4*        G   2   9.093  -4.907  12.242
   16    H3*    G   2           H3*        G   2   6.585  -4.427  10.670
   17    H2*    G   2          1H2*        G   2   6.012  -6.765  10.913
   18   2HO*    G   2          2HO*        G   2   8.576  -7.105  11.029
   19    H1*    G   2           H1*        G   2   6.466  -6.864  13.632
   20    H8     G   2           H8         G   2   5.339  -3.412  12.517
   21    H1     G   2           H1         G   2   0.571  -7.446  13.961
   22   1H2     G   2          1H2         G   2   3.057  -9.850  14.111
   23   2H2     G   2          2H2         G   2   1.350  -9.481  14.245
   24   1H5*    A   3          H5*         A   3   8.254  -7.666   8.828
   25   2H5*    A   3          2H5*        A   3   8.600  -7.358   7.115
   26    H4*    A   3           H4*        A   3   7.486  -9.359   7.037
   27    H3*    A   3           H3*        A   3   5.516  -7.164   6.503
   28    H2*    A   3          1H2*        A   3   3.748  -8.810   6.371
   29   2HO*    A   3          2HO*        A   3   5.713 -10.408   5.679
   30    H1*    A   3           H1*        A   3   4.400 -10.062   8.731
   31    H8     A   3           H8         A   3   5.503  -6.505   9.124
   32   1H6     A   3          1H6         A   3   1.360  -4.602  10.764
   33   2H6     A   3          2H6         A   3  -0.292  -5.182  10.830
   34    H2     A   3           H2         A   3  -0.254  -9.341   9.146
   35   1H5*    A   4          H5*         A   4   4.555 -10.248   3.442
   36   2H5*    A   4          2H5*        A   4   4.743  -9.303   1.952
   37    H4*    A   4           H4*        A   4   2.706 -10.492   1.790
   38    H3*    A   4           H3*        A   4   2.401  -7.547   2.190
   39    H2*    A   4          1H2*        A   4   0.005  -7.764   2.321
   40   2HO*    A   4          2HO*        A   4   0.218  -9.646   0.694
   41    H1*    A   4           H1*        A   4  -0.002  -9.848   4.122
   42    H8     A   4           H8         A   4   3.108  -7.860   4.827
   43   1H6     A   4          1H6         A   4   1.214  -4.564   7.833
   44   2H6     A   4          2H6         A   4  -0.422  -4.122   8.268
   45    H2     A   4           H2         A   4  -3.125  -6.910   6.009
   46   1H5*    G   5          H5*         G   5  -0.290  -8.126  -1.275
   47   2H5*    G   5          2H5*        G   5  -0.328  -6.540  -2.070
   48    H4*    G   5           H4*        G   5  -2.445  -7.540  -0.884
   49    H3*    G   5           H3*        G   5  -1.613  -4.648  -0.906
   50    H2*    G   5          1H2*        G   5  -3.571  -4.162   0.435
   51   2HO*    G   5          2HO*        G   5  -4.422  -6.466  -0.676
   52    H1*    G   5           H1*        G   5  -3.108  -6.215   2.247
   53    H8     G   5           H8         G   5   0.321  -5.254   1.427
   54    H1     G   5           H1         G   5  -2.649  -0.816   4.979
   55   1H2     G   5          1H2         G   5  -5.528  -2.514   4.154
   56   2H2     G   5          2H2         G   5  -4.795  -1.162   4.993
   57   1H5*    C   6          H5*         C   6  -5.752  -4.666  -1.296
   58   2H5*    C   6          2H5*        C   6  -6.097  -3.985  -2.898
   59    H4*    C   6           H4*        C   6  -7.628  -3.024  -1.380
   60    H3*    C   6           H3*        C   6  -5.502  -1.132  -2.309
   61    H2*    C   6          1H2*        C   6  -6.381   0.591  -0.872
   62   2HO*    C   6          2HO*        C   6  -8.642  -0.632  -1.286
   63    H1*    C   6           H1*        C   6  -6.683  -1.013   1.371
   64   1H4     C   6          1H4         C   6  -0.164  -0.168   1.019
   65   2H4     C   6          2H4         C   6  -0.755   1.220   1.907
   66    H5     C   6           H5         C   6  -1.623  -1.787  -0.017
   67    H6     C   6           H6         C   6  -3.945  -2.415  -0.412
   68   1H5*    A   7          H5*         A   7  -9.155   1.290  -2.988
   69   2H5*    A   7          2H5*        A   7  -8.668   2.447  -4.242
   70    H4*    A   7           H4*        A   7  -9.245   3.323  -1.902
   71    H3*    A   7           H3*        A   7  -6.818   4.190  -3.456
   72    H2*    A   7          1H2*        A   7  -6.248   5.649  -1.620
   73   2HO*    A   7          2HO*        A   7  -8.844   5.700  -1.283
   74    H1*    A   7           H1*        A   7  -6.796   3.760   0.379
   75    H8     A   7           H8         A   7  -5.195   1.593  -2.050
   76   1H6     A   7          1H6         A   7  -0.523   2.735  -1.340
   77   2H6     A   7          2H6         A   7   0.273   4.055  -0.508
   78    H2     A   7           H2         A   7  -2.949   6.681   1.153
   79   1H5*    G   8          H5*         G   8  -7.212   7.578  -1.819
   80   2H5*    G   8          2H5*        G   8  -7.883   8.648  -3.065
   81    H4*    G   8           H4*        G   8  -6.128   9.893  -2.339
   82    H3*    G   8           H3*        G   8  -5.188   8.319  -4.699
   83    H2*    G   8          1H2*        G   8  -2.933   9.114  -4.371
   84   2HO*    G   8          2HO*        G   8  -4.228  11.130  -3.175
   85    H1*    G   8           H1*        G   8  -2.830   8.599  -1.667
   86    H8     G   8           H8         G   8  -5.169   6.086  -3.181
   87    H1     G   8           H1         G   8   1.032   4.547  -3.740
   88   1H2     G   8          1H2         G   8   1.619   7.779  -2.706
   89   2H2     G   8          2H2         G   8   2.298   6.249  -3.215
   90   1H5*    G   9          H5*         G   9  -3.349  11.579  -4.864
   91   2H5*    G   9          2H5*        G   9  -3.564  12.603  -6.297
   92    H4*    G   9           H4*        G   9  -1.274  12.481  -6.067
   93    H3*    G   9           H3*        G   9  -2.133  10.445  -8.108
   94    H2*    G   9          1H2*        G   9   0.200   9.863  -8.388
   95   2HO*    G   9          2HO*        G   9   0.523  12.356  -7.372
   96    H1*    G   9           H1*        G   9   0.718   9.700  -5.659
   97    H8     G   9           H8         G   9  -2.818   8.598  -6.381
   98    H1     G   9           H1         G   9   1.592   3.998  -7.138
   99   1H2     G   9          1H2         G   9   3.879   6.557  -6.800
  100   2H2     G   9          2H2         G   9   3.602   4.849  -7.064
  101   1H5*    C  10          H5*         C  10   0.893  12.551  -9.416
  102   2H5*    C  10          2H5*        C  10   0.903  13.184 -11.074
  103    H4*    C  10           H4*        C  10   2.906  12.021 -10.854
  104    H3*    C  10           H3*        C  10   0.898  10.436 -12.404
  105    H2*    C  10          1H2*        C  10   2.442   8.604 -12.557
  106   2HO*    C  10          2HO*        C  10   4.440   9.325 -12.859
  107    H1*    C  10           H1*        C  10   3.321   8.722  -9.905
  108   1H4     C  10          1H4         C  10  -2.582   5.748  -9.806
  109   2H4     C  10          2H4         C  10  -1.375   4.518  -9.572
  110    H5     C  10           H5         C  10  -2.008   8.080 -10.206
  111    H6     C  10           H6         C  10  -0.168   9.650 -10.510
  112   1H5*    U  11          H5*         U  11   3.849  10.157 -14.433
  113   2H5*    U  11          2H5*        U  11   3.958  10.367 -16.192
  114    H4*    U  11           H4*        U  11   4.445   8.103 -15.726
  115    H3*    U  11           H3*        U  11   1.771   8.559 -16.983
  116    H2*    U  11          1H2*        U  11   1.125   6.323 -16.660
  117   2HO*    U  11          2HO*        U  11   2.763   4.696 -16.331
  118    H1*    U  11           H1*        U  11   2.931   5.781 -14.424
  119    H3     U  11           H3         U  11  -1.007   4.038 -13.043
  120    H5     U  11           H5         U  11  -1.489   8.219 -12.767
  121    H6     U  11           H6         U  11   0.605   8.455 -13.919
  122   1H5*    U  12          H5*         U  12   0.561   6.860 -19.740
  123   2H5*    U  12          2H5*        U  12   1.908   6.290 -18.737
  124    H4*    U  12           H4*        U  12   1.042   5.438 -21.452
  125    H3*    U  12           H3*        U  12   0.748   4.103 -19.183
  126    H2*    U  12          1H2*        U  12   3.041   4.100 -18.442
  127   2HO*    U  12          2HO*        U  12   2.425   1.858 -20.019
  128    H1*    U  12           H1*        U  12   4.007   3.449 -21.265
  129    H3     U  12           H3         U  12   8.153   3.716 -19.571
  130    H5     U  12           H5         U  12   6.402   7.367 -18.468
  131    H6     U  12           H6         U  12   4.319   6.543 -19.344
  132   1H5*    C  13          H5*         C  13   1.009   0.683 -18.416
  133   2H5*    C  13          2H5*        C  13  -0.404  -0.017 -19.229
  134    H4*    C  13           H4*        C  13  -0.241  -0.336 -16.730
  135    H3*    C  13           H3*        C  13  -2.492  -0.343 -18.149
  136    H2*    C  13          1H2*        C  13  -2.878   2.057 -18.123
  137   2HO*    C  13          2HO*        C  13  -4.142   0.753 -15.952
  138    H1*    C  13           H1*        C  13  -2.186   2.050 -15.134
  139   1H4     C  13          1H4         C  13  -1.053   8.170 -17.320
  140   2H4     C  13          2H4         C  13  -2.161   8.299 -15.971
  141    H5     C  13           H5         C  13  -0.338   6.037 -18.209
  142    H6     C  13           H6         C  13  -0.501   3.620 -17.959
  143   1H5*    G  14          H5*         G  14  -0.804  -2.078 -17.538
  144   2H5*    G  14          2H5*        G  14  -1.277  -3.687 -18.114
  145    H4*    G  14           H4*        G  14   0.265  -4.750 -16.878
  146    H3*    G  14           H3*        G  14  -0.126  -2.705 -14.696
  147    H2*    G  14          1H2*        G  14   2.050  -3.280 -13.874
  148   2HO*    G  14          2HO*        G  14   1.410  -5.649 -14.668
  149    H1*    G  14           H1*        G  14   3.211  -3.599 -16.458
  150    H8     G  14           H8         G  14   4.922  -1.782 -16.372
  151    H1     G  14           H1         G  14   0.838   2.329 -13.613
  152   1H2     G  14          1H2         G  14  -1.439  -0.271 -13.860
  153   2H2     G  14          2H2         G  14  -1.137   1.376 -13.352
  154   1H5*    G  15          H5*         G  15   1.282  -5.415 -12.385
  155   2H5*    G  15          2H5*        G  15   0.886  -4.995 -10.709
  156    H4*    G  15           H4*        G  15   3.197  -4.372 -11.915
  157    H3*    G  15           H3*        G  15   1.807  -3.103  -9.603
  158    H2*    G  15          1H2*        G  15   3.297  -1.225  -9.656
  159   2HO*    G  15          2HO*        G  15   5.278  -1.461 -10.374
  160    H1*    G  15           H1*        G  15   3.298  -0.859 -12.407
  161    H8     G  15           H8         G  15  -0.133  -1.976 -11.639
  162    H1     G  15           H1         G  15   0.861   4.172 -10.161
  163   1H2     G  15          1H2         G  15   4.194   3.433 -10.668
  164   2H2     G  15          2H2         G  15   3.000   4.652 -10.284
  165   1H5*    C  16          H5*         C  16   5.815  -2.972  -9.083
  166   2H5*    C  16          2H5*        C  16   6.429  -3.479  -7.497
  167    H4*    C  16           H4*        C  16   7.373  -1.370  -7.968
  168    H3*    C  16           H3*        C  16   5.240  -1.274  -5.866
  169    H2*    C  16          1H2*        C  16   5.493   1.111  -5.709
  170   2HO*    C  16          2HO*        C  16   7.346   2.031  -6.206
  171    H1*    C  16           H1*        C  16   5.560   1.584  -8.447
  172   1H4     C  16          1H4         C  16  -0.788   0.332  -7.173
  173   2H4     C  16          2H4         C  16  -0.604   2.074  -7.226
  174    H5     C  16           H5         C  16   1.111  -1.172  -7.326
  175    H6     C  16           H6         C  16   3.532  -1.303  -7.585
  176   1H5*    C  17          H5*         C  17   8.441   1.210  -5.028
  177   2H5*    C  17          2H5*        C  17   9.218   0.700  -3.516
  178    H4*    C  17           H4*        C  17   9.230   2.982  -3.326
  179    H3*    C  17           H3*        C  17   6.838   1.936  -1.853
  180    H2*    C  17          1H2*        C  17   6.199   4.203  -1.325
  181   2HO*    C  17          2HO*        C  17   8.796   4.623  -1.693
  182    H1*    C  17           H1*        C  17   6.383   5.102  -3.918
  183   1H4     C  17          1H4         C  17   1.322   0.849  -4.153
  184   2H4     C  17          2H4         C  17   0.625   2.447  -4.129
  185    H5     C  17           H5         C  17   3.690   0.448  -3.927
  186    H6     C  17           H6         C  17   5.873   1.492  -3.672
  187   1H5*    U  18          H5*         U  18   8.392   4.833   0.490
  188   2H5*    U  18          2H5*        U  18   9.390   3.997   1.696
  189    H4*    U  18           H4*        U  18   8.230   4.811   3.456
  190    H3*    U  18           H3*        U  18   5.908   4.052   2.382
  191    H2*    U  18          1H2*        U  18   5.537   5.784   0.793
  192   2HO*    U  18          2HO*        U  18   4.810   6.970   3.288
  193    H1*    U  18           H1*        U  18   6.693   7.956   2.564
  194    H3     U  18           H3         U  18   7.650  10.735  -0.757
  195    H5     U  18           H5         U  18   7.162   7.071  -2.746
  196    H6     U  18           H6         U  18   6.872   6.023  -0.604
  197   1H5*    U  19          H5*         U  19   5.443   7.441   4.986
  198   2H5*    U  19          2H5*        U  19   4.882   6.831   6.555
  199    H4*    U  19           H4*        U  19   4.187   9.011   6.614
  200    H3*    U  19           H3*        U  19   1.896   7.319   5.680
  201    H2*    U  19          1H2*        U  19   0.558   9.297   5.371
  202   2HO*    U  19          2HO*        U  19   1.990  10.222   7.327
  203    H1*    U  19           H1*        U  19   2.534  10.785   4.095
  204    H3     U  19           H3         U  19  -0.112   9.668   0.634
  205    H5     U  19           H5         U  19   1.933   6.113   1.529
  206    H6     U  19           H6         U  19   2.848   7.216   3.460
  207   1H5*    G  20          H5*         G  20  -0.183   9.160   7.377
  208   2H5*    G  20          2H5*        G  20  -0.686   8.720   9.021
  209    H4*    G  20           H4*        G  20  -2.673   9.319   8.059
  210    H3*    G  20           H3*        G  20  -2.368   6.355   7.954
  211    H2*    G  20          1H2*        G  20  -4.363   6.129   6.614
  212   2HO*    G  20          2HO*        G  20  -4.950   8.470   7.777
  213    H1*    G  20           H1*        G  20  -3.693   8.038   4.765
  214    H8     G  20           H8         G  20  -0.327   7.029   5.732
  215    H1     G  20           H1         G  20  -3.265   2.492   2.289
  216   1H2     G  20          1H2         G  20  -6.141   4.295   2.953
  217   2H2     G  20          2H2         G  20  -5.431   2.892   2.189
  218   1H5*    U  21          H5*         U  21  -5.863   5.971   8.161
  219   2H5*    U  21          2H5*        U  21  -6.430   5.192   9.652
  220    H4*    U  21           H4*        U  21  -7.257   3.894   7.881
  221    H3*    U  21           H3*        U  21  -4.936   2.607   9.273
  222    H2*    U  21          1H2*        U  21  -4.988   0.782   7.727
  223   2HO*    U  21          2HO*        U  21  -6.968   0.194   7.191
  224    H1*    U  21           H1*        U  21  -5.447   2.324   5.429
  225    H3     U  21           H3         U  21  -1.206   0.813   4.938
  226    H5     U  21           H5         U  21  -0.893   3.942   7.705
  227    H6     U  21           H6         U  21  -3.295   4.046   7.760
  228   1H5*    U  22          H5*         U  22  -8.419   0.223   8.485
  229   2H5*    U  22          2H5*        U  22  -8.963  -0.644   9.935
  230    H4*    U  22           H4*        U  22  -9.224  -2.085   8.066
  231    H3*    U  22           H3*        U  22  -7.019  -2.871   9.937
  232    H2*    U  22          1H2*        U  22  -6.442  -4.711   8.510
  233   2HO*    U  22          2HO*        U  22  -7.893  -5.605   7.210
  234    H1*    U  22           H1*        U  22  -6.703  -3.322   6.090
  235    H3     U  22           H3         U  22  -2.261  -4.157   6.791
  236    H5     U  22           H5         U  22  -3.070  -0.513   8.705
  237    H6     U  22           H6         U  22  -5.416  -0.951   8.377
  238   1H5*    U  23          H5*         U  23  -8.756  -6.327   8.585
  239   2H5*    U  23          2H5*        U  23  -9.574  -7.076   9.971
  240    H4*    U  23           H4*        U  23  -8.544  -8.869   8.980
  241    H3*    U  23           H3*        U  23  -6.816  -7.873  11.216
  242    H2*    U  23          1H2*        U  23  -5.143  -9.522  10.661
  243   2HO*    U  23          2HO*        U  23  -7.219 -10.861   9.790
  244    H1*    U  23           H1*        U  23  -5.165  -9.028   7.934
  245    H3     U  23           H3         U  23  -1.448  -6.792   9.105
  246    H5     U  23           H5         U  23  -4.557  -4.398  10.594
  247    H6     U  23           H6         U  23  -6.093  -6.140   9.970
  248   1H5*    C  24          H5*         C  24  -6.311 -11.471  11.438
  249   2H5*    C  24          2H5*        C  24  -6.903 -12.305  12.888
  250    H4*    C  24           H4*        C  24  -4.720 -13.058  12.624
  251    H3*    C  24           H3*        C  24  -4.864 -10.935  14.743
  252    H2*    C  24          1H2*        C  24  -2.488 -11.121  15.059
  253   2HO*    C  24          2HO*        C  24  -1.794 -13.128  14.872
  254    H1*    C  24           H1*        C  24  -1.854 -11.216  12.336
  255   1H4     C  24          1H4         C  24  -2.978  -4.825  13.412
  256   2H4     C  24          2H4         C  24  -1.301  -5.088  13.842
  257    H5     C  24           H5         C  24  -4.479  -6.651  12.850
  258    H6     C  24           H6         C  24  -4.661  -9.068  12.577
  259   1H5*    C  25          H5*         C  25  -2.997 -14.374  16.236
  260   2H5*    C  25          2H5*        C  25  -3.405 -14.808  17.908
  261    H4*    C  25           H4*        C  25  -1.051 -14.705  17.761
  262    H3*    C  25           H3*        C  25  -2.267 -12.421  19.269
  263    H2*    C  25          1H2*        C  25  -0.106 -11.420  19.554
  264   2HO*    C  25          2HO*        C  25   0.733 -13.841  19.636
  265    H1*    C  25           H1*        C  25   0.784 -11.857  16.944
  266   1H4     C  25          1H4         C  25  -3.351  -6.713  16.623
  267   2H4     C  25          2H4         C  25  -1.729  -6.066  16.531
  268    H5     C  25           H5         C  25  -3.811  -9.064  16.979
  269    H6     C  25           H6         C  25  -2.809 -11.264  17.301
  270    H3T    C  25           H3T        C  25  -2.211 -14.433  20.188
  Start of MODEL   14
    1   1H5*    G   1          H5*         G   1   6.911  -0.049  17.794
    2   2H5*    G   1          2H5*        G   1   8.422   0.026  18.718
    3    H4*    G   1           H4*        G   1   9.367  -1.726  17.272
    4    H3*    G   1           H3*        G   1   6.708  -1.625  15.892
    5    H2*    G   1          1H2*        G   1   6.667  -4.017  15.751
    6   2HO*    G   1          2HO*        G   1   8.512  -5.022  15.508
    7    H1*    G   1           H1*        G   1   7.630  -4.502  18.336
    8    H8     G   1           H8         G   1   5.247  -1.560  18.190
    9    H1     G   1           H1         G   1   2.420  -7.280  18.846
   10   1H2     G   1          1H2         G   1   5.576  -8.561  18.260
   11   2H2     G   1          2H2         G   1   3.891  -8.891  18.598
   12    H5T    G   1           H5T        G   1   8.377   1.594  17.065
   13   1H5*    G   2          H5*         G   2   9.543  -4.368  14.286
   14   2H5*    G   2          2H5*        G   2   9.924  -3.799  12.649
   15    H4*    G   2           H4*        G   2   9.953  -6.130  12.525
   16    H3*    G   2           H3*        G   2   7.510  -4.926  11.306
   17    H2*    G   2          1H2*        G   2   6.553  -7.100  10.910
   18   2HO*    G   2          2HO*        G   2   9.051  -7.835  10.759
   19    H1*    G   2           H1*        G   2   7.048  -8.121  13.420
   20    H8     G   2           H8         G   2   6.585  -4.404  13.753
   21    H1     G   2           H1         G   2   1.093  -7.697  13.651
   22   1H2     G   2          1H2         G   2   3.080 -10.385  12.710
   23   2H2     G   2          2H2         G   2   1.470  -9.802  13.067
   24   1H5*    A   3          H5*         A   3   8.394  -7.538   8.474
   25   2H5*    A   3          2H5*        A   3   8.281  -6.887   6.828
   26    H4*    A   3           H4*        A   3   6.708  -8.648   7.032
   27    H3*    A   3           H3*        A   3   5.315  -5.967   7.047
   28    H2*    A   3          1H2*        A   3   3.253  -7.247   6.963
   29   2HO*    A   3          2HO*        A   3   4.686  -9.000   5.723
   30    H1*    A   3           H1*        A   3   4.066  -8.989   8.996
   31    H8     A   3           H8         A   3   5.428  -5.711  10.031
   32   1H6     A   3          1H6         A   3   1.455  -3.749  12.020
   33   2H6     A   3          2H6         A   3  -0.242  -4.180  11.998
   34    H2     A   3           H2         A   3  -0.578  -7.938   9.575
   35   1H5*    A   4          H5*         A   4   4.132  -8.472   3.625
   36   2H5*    A   4          2H5*        A   4   3.464  -7.512   2.292
   37    H4*    A   4           H4*        A   4   1.985  -9.333   3.111
   38    H3*    A   4           H3*        A   4   1.005  -6.498   3.051
   39    H2*    A   4          1H2*        A   4  -1.103  -7.237   3.979
   40   2HO*    A   4          2HO*        A   4  -1.381  -9.223   2.972
   41    H1*    A   4           H1*        A   4   0.023  -8.714   6.014
   42    H8     A   4           H8         A   4   2.558  -6.093   5.788
   43   1H6     A   4          1H6         A   4   0.302  -2.489   8.124
   44   2H6     A   4          2H6         A   4  -1.361  -2.211   8.594
   45    H2     A   4           H2         A   4  -3.682  -5.813   7.253
   46   1H5*    G   5          H5*         G   5  -1.911  -8.840   1.346
   47   2H5*    G   5          2H5*        G   5  -2.272  -8.374  -0.327
   48    H4*    G   5           H4*        G   5  -4.346  -8.705   0.691
   49    H3*    G   5           H3*        G   5  -3.695  -5.810   0.339
   50    H2*    G   5          1H2*        G   5  -5.711  -5.173   1.504
   51   2HO*    G   5          2HO*        G   5  -6.530  -7.564   0.675
   52    H1*    G   5           H1*        G   5  -5.318  -6.823   3.664
   53    H8     G   5           H8         G   5  -1.836  -6.224   2.668
   54    H1     G   5           H1         G   5  -4.499  -1.108   5.453
   55   1H2     G   5          1H2         G   5  -7.475  -2.743   4.900
   56   2H2     G   5          2H2         G   5  -6.677  -1.315   5.523
   57   1H5*    C   6          H5*         C   6  -7.354  -5.466  -0.139
   58   2H5*    C   6          2H5*        C   6  -7.780  -5.231  -1.845
   59    H4*    C   6           H4*        C   6  -9.038  -3.637  -0.748
   60    H3*    C   6           H3*        C   6  -6.560  -2.360  -1.863
   61    H2*    C   6          1H2*        C   6  -7.226  -0.261  -0.906
   62   2HO*    C   6          2HO*        C   6  -9.622  -1.160  -1.364
   63    H1*    C   6           H1*        C   6  -8.115  -1.330   1.541
   64   1H4     C   6          1H4         C   6  -1.579  -0.894   2.192
   65   2H4     C   6          2H4         C   6  -2.197   0.688   2.619
   66    H5     C   6           H5         C   6  -2.990  -2.643   1.277
   67    H6     C   6           H6         C   6  -5.265  -3.225   0.615
   68   1H5*    A   7          H5*         A   7  -8.479   1.565  -4.892
   69   2H5*    A   7          2H5*        A   7  -6.990   1.311  -3.960
   70    H4*    A   7           H4*        A   7  -9.534   2.641  -3.047
   71    H3*    A   7           H3*        A   7  -6.869   3.725  -3.835
   72    H2*    A   7          1H2*        A   7  -6.831   5.222  -1.957
   73   2HO*    A   7          2HO*        A   7  -9.443   5.111  -2.257
   74    H1*    A   7           H1*        A   7  -7.681   3.405  -0.053
   75    H8     A   7           H8         A   7  -5.757   1.092  -2.067
   76   1H6     A   7          1H6         A   7  -1.236   2.217  -0.698
   77   2H6     A   7          2H6         A   7  -0.552   3.564   0.190
   78    H2     A   7           H2         A   7  -3.939   6.305   1.206
   79   1H5*    G   8          H5*         G   8  -7.744   7.062  -2.395
   80   2H5*    G   8          2H5*        G   8  -7.937   8.184  -3.756
   81    H4*    G   8           H4*        G   8  -6.348   9.157  -2.351
   82    H3*    G   8           H3*        G   8  -5.146   7.973  -4.812
   83    H2*    G   8          1H2*        G   8  -2.922   8.454  -4.031
   84   2HO*    G   8          2HO*        G   8  -4.077  10.459  -2.867
   85    H1*    G   8           H1*        G   8  -3.279   7.545  -1.441
   86    H8     G   8           H8         G   8  -5.443   5.411  -3.609
   87    H1     G   8           H1         G   8   0.726   3.652  -3.601
   88   1H2     G   8          1H2         G   8   1.264   6.669  -2.011
   89   2H2     G   8          2H2         G   8   1.965   5.198  -2.649
   90   1H5*    G   9          H5*         G   9  -3.159  11.325  -4.788
   91   2H5*    G   9          2H5*        G   9  -3.243  12.241  -6.305
   92    H4*    G   9           H4*        G   9  -0.971  11.829  -5.932
   93    H3*    G   9           H3*        G   9  -2.013   9.901  -8.005
   94    H2*    G   9          1H2*        G   9   0.252   9.102  -8.227
   95   2HO*    G   9          2HO*        G   9   1.039  11.122  -6.374
   96    H1*    G   9           H1*        G   9   0.728   9.052  -5.451
   97    H8     G   9           H8         G   9  -2.726   7.795  -5.887
   98    H1     G   9           H1         G   9   1.742   3.530  -7.608
   99   1H2     G   9          1H2         G   9   3.928   6.184  -7.365
  100   2H2     G   9          2H2         G   9   3.703   4.485  -7.713
  101   1H5*    C  10          H5*         C  10   1.658  11.621  -8.862
  102   2H5*    C  10          2H5*        C  10   1.506  12.549 -10.368
  103    H4*    C  10           H4*        C  10   3.604  11.581 -10.505
  104    H3*    C  10           H3*        C  10   1.650   9.993 -12.139
  105    H2*    C  10          1H2*        C  10   3.425   8.469 -12.717
  106   2HO*    C  10          2HO*        C  10   4.910  10.619 -12.366
  107    H1*    C  10           H1*        C  10   4.462   8.271 -10.130
  108   1H4     C  10          1H4         C  10  -1.006   4.557 -10.291
  109   2H4     C  10          2H4         C  10   0.339   3.475 -10.530
  110    H5     C  10           H5         C  10  -0.741   6.966 -10.117
  111    H6     C  10           H6         C  10   0.864   8.800 -10.200
  112   1H5*    U  11          H5*         U  11   4.203  10.423 -14.603
  113   2H5*    U  11          2H5*        U  11   3.972  11.008 -16.262
  114    H4*    U  11           H4*        U  11   4.652   8.784 -16.478
  115    H3*    U  11           H3*        U  11   1.675   9.013 -16.859
  116    H2*    U  11          1H2*        U  11   1.568   6.655 -17.189
  117   2HO*    U  11          2HO*        U  11   3.383   5.445 -17.657
  118    H1*    U  11           H1*        U  11   3.629   6.020 -15.304
  119    H3     U  11           H3         U  11  -0.082   3.834 -13.898
  120    H5     U  11           H5         U  11  -0.634   7.832 -12.688
  121    H6     U  11           H6         U  11   1.306   8.408 -13.987
  122   1H5*    U  12          H5*         U  12   1.521   8.779 -22.093
  123   2H5*    U  12          2H5*        U  12   0.026   8.009 -21.528
  124    H4*    U  12           H4*        U  12   0.933   6.562 -23.131
  125    H3*    U  12           H3*        U  12   0.373   5.481 -20.776
  126    H2*    U  12          1H2*        U  12   2.520   5.876 -19.720
  127   2HO*    U  12          2HO*        U  12   3.733   3.723 -20.391
  128    H1*    U  12           H1*        U  12   3.903   4.888 -22.270
  129    H3     U  12           H3         U  12   7.796   5.563 -20.146
  130    H5     U  12           H5         U  12   5.798   9.229 -19.720
  131    H6     U  12           H6         U  12   3.876   8.212 -20.746
  132   1H5*    C  13          H5*         C  13   1.745   1.942 -20.166
  133   2H5*    C  13          2H5*        C  13   0.452   0.895 -20.786
  134    H4*    C  13           H4*        C  13   1.014   0.449 -18.441
  135    H3*    C  13           H3*        C  13  -1.472   0.292 -19.363
  136    H2*    C  13          1H2*        C  13  -2.077   2.621 -19.019
  137   2HO*    C  13          2HO*        C  13  -2.992   2.515 -16.655
  138    H1*    C  13           H1*        C  13  -0.789   2.465 -16.244
  139   1H4     C  13          1H4         C  13  -0.709   8.836 -17.929
  140   2H4     C  13          2H4         C  13  -1.594   8.707 -16.426
  141    H5     C  13           H5         C  13   0.087   6.886 -19.136
  142    H6     C  13           H6         C  13   0.216   4.453 -19.123
  143   1H5*    G  14          H5*         G  14   0.245  -1.361 -19.103
  144   2H5*    G  14          2H5*        G  14  -0.269  -2.851 -19.918
  145    H4*    G  14           H4*        G  14   1.383  -4.098 -19.019
  146    H3*    G  14           H3*        G  14   1.229  -2.405 -16.536
  147    H2*    G  14          1H2*        G  14   3.511  -2.943 -16.062
  148   2HO*    G  14          2HO*        G  14   2.851  -5.226 -17.121
  149    H1*    G  14           H1*        G  14   4.379  -2.909 -18.776
  150    H8     G  14           H8         G  14   6.082  -1.096 -18.556
  151    H1     G  14           H1         G  14   2.058   2.670 -15.268
  152   1H2     G  14          1H2         G  14  -0.155   0.021 -15.584
  153   2H2     G  14          2H2         G  14   0.133   1.630 -14.960
  154   1H5*    G  15          H5*         G  15   3.017  -5.198 -14.968
  155   2H5*    G  15          2H5*        G  15   2.703  -5.364 -13.230
  156    H4*    G  15           H4*        G  15   4.900  -4.303 -13.954
  157    H3*    G  15           H3*        G  15   3.111  -3.138 -11.850
  158    H2*    G  15          1H2*        G  15   4.657  -1.296 -11.594
  159   2HO*    G  15          2HO*        G  15   6.529  -2.761 -12.062
  160    H1*    G  15           H1*        G  15   4.811  -0.740 -14.285
  161    H8     G  15           H8         G  15   1.421  -2.186 -13.848
  162    H1     G  15           H1         G  15   1.851   3.858 -11.799
  163   1H2     G  15          1H2         G  15   5.243   3.431 -12.184
  164   2H2     G  15          2H2         G  15   3.936   4.500 -11.735
  165   1H5*    C  16          H5*         C  16   7.227  -2.823 -10.208
  166   2H5*    C  16          2H5*        C  16   7.030  -3.362  -8.529
  167    H4*    C  16           H4*        C  16   8.171  -1.172  -8.786
  168    H3*    C  16           H3*        C  16   5.680  -1.376  -7.117
  169    H2*    C  16          1H2*        C  16   5.817   0.978  -6.662
  170   2HO*    C  16          2HO*        C  16   8.289   0.688  -6.603
  171    H1*    C  16           H1*        C  16   6.526   1.738  -9.275
  172   1H4     C  16          1H4         C  16  -0.019   0.890  -9.315
  173   2H4     C  16          2H4         C  16   0.248   2.571  -8.905
  174    H5     C  16           H5         C  16   1.797  -0.705  -9.532
  175    H6     C  16           H6         C  16   4.214  -1.001  -9.397
  176   1H5*    C  17          H5*         C  17   8.979   0.709  -4.625
  177   2H5*    C  17          2H5*        C  17   8.756  -0.081  -3.052
  178    H4*    C  17           H4*        C  17   8.926   2.380  -2.933
  179    H3*    C  17           H3*        C  17   6.460   1.046  -1.851
  180    H2*    C  17          1H2*        C  17   5.633   3.223  -1.211
  181   2HO*    C  17          2HO*        C  17   8.271   3.802  -1.335
  182    H1*    C  17           H1*        C  17   6.125   4.383  -3.673
  183   1H4     C  17          1H4         C  17   1.139   0.301  -5.051
  184   2H4     C  17          2H4         C  17   0.375   1.715  -4.371
  185    H5     C  17           H5         C  17   3.539  -0.004  -5.100
  186    H6     C  17           H6         C  17   5.688   0.988  -4.518
  187   1H5*    U  18          H5*         U  18   8.051   4.320   0.488
  188   2H5*    U  18          2H5*        U  18   9.008   3.294   1.574
  189    H4*    U  18           H4*        U  18   8.503   4.532   3.317
  190    H3*    U  18           H3*        U  18   6.116   3.391   3.272
  191    H2*    U  18          1H2*        U  18   5.008   4.739   1.636
  192   2HO*    U  18          2HO*        U  18   4.835   6.346   4.002
  193    H1*    U  18           H1*        U  18   6.222   7.323   2.660
  194    H3     U  18           H3         U  18   5.609   9.577  -1.106
  195    H5     U  18           H5         U  18   5.343   5.591  -2.383
  196    H6     U  18           H6         U  18   5.880   4.906  -0.149
  197   1H5*    U  19          H5*         U  19   3.011   5.537   7.349
  198   2H5*    U  19          2H5*        U  19   2.809   5.420   5.590
  199    H4*    U  19           H4*        U  19   3.561   7.900   7.132
  200    H3*    U  19           H3*        U  19   0.899   6.974   6.120
  201    H2*    U  19          1H2*        U  19   0.392   9.203   5.369
  202   2HO*    U  19          2HO*        U  19   1.910   9.903   7.361
  203    H1*    U  19           H1*        U  19   2.855   9.683   4.179
  204    H3     U  19           H3         U  19  -0.267   8.854   0.915
  205    H5     U  19           H5         U  19   1.439   5.144   1.887
  206    H6     U  19           H6         U  19   2.505   6.211   3.760
  207   1H5*    G  20          H5*         G  20  -0.880   8.338   6.652
  208   2H5*    G  20          2H5*        G  20  -1.331   9.485   7.926
  209    H4*    G  20           H4*        G  20  -3.495   9.203   7.576
  210    H3*    G  20           H3*        G  20  -2.971   6.259   7.649
  211    H2*    G  20          1H2*        G  20  -5.016   5.850   6.426
  212   2HO*    G  20          2HO*        G  20  -6.575   7.317   6.344
  213    H1*    G  20           H1*        G  20  -4.501   7.671   4.439
  214    H8     G  20           H8         G  20  -1.069   6.809   5.362
  215    H1     G  20           H1         G  20  -3.991   2.034   2.231
  216   1H2     G  20          1H2         G  20  -6.877   3.832   2.820
  217   2H2     G  20          2H2         G  20  -6.144   2.409   2.115
  218   1H5*    U  21          H5*         U  21  -6.583   6.380   8.031
  219   2H5*    U  21          2H5*        U  21  -7.306   5.699   9.502
  220    H4*    U  21           H4*        U  21  -8.426   4.737   7.663
  221    H3*    U  21           H3*        U  21  -6.597   2.878   9.115
  222    H2*    U  21          1H2*        U  21  -6.966   1.140   7.514
  223   2HO*    U  21          2HO*        U  21  -8.746   1.073   6.283
  224    H1*    U  21           H1*        U  21  -6.908   2.749   5.226
  225    H3     U  21           H3         U  21  -3.078   0.290   5.105
  226    H5     U  21           H5         U  21  -2.204   3.598   7.518
  227    H6     U  21           H6         U  21  -4.547   4.148   7.492
  228   1H5*    U  22          H5*         U  22  -9.858   0.619   8.729
  229   2H5*    U  22          2H5*        U  22 -10.560   0.103  10.275
  230    H4*    U  22           H4*        U  22 -10.336  -1.882   9.144
  231    H3*    U  22           H3*        U  22  -7.910  -1.549  10.893
  232    H2*    U  22          1H2*        U  22  -7.108  -3.671  10.074
  233   2HO*    U  22          2HO*        U  22  -8.458  -5.123   9.282
  234    H1*    U  22           H1*        U  22  -7.682  -3.123   7.395
  235    H3     U  22           H3         U  22  -3.196  -2.838   7.648
  236    H5     U  22           H5         U  22  -4.558   0.804   9.242
  237    H6     U  22           H6         U  22  -6.792  -0.091   9.155
  238   1H5*    U  23          H5*         U  23  -9.446  -5.176  10.786
  239   2H5*    U  23          2H5*        U  23  -9.665  -6.064  12.306
  240    H4*    U  23           H4*        U  23  -8.581  -7.481  10.715
  241    H3*    U  23           H3*        U  23  -6.797  -6.597  12.974
  242    H2*    U  23          1H2*        U  23  -5.069  -7.996  12.044
  243   2HO*    U  23          2HO*        U  23  -5.661  -9.740  10.996
  244    H1*    U  23           H1*        U  23  -5.523  -7.182   9.393
  245    H3     U  23           H3         U  23  -1.563  -5.298  10.484
  246    H5     U  23           H5         U  23  -4.427  -2.865  12.353
  247    H6     U  23           H6         U  23  -6.097  -4.479  11.722
  248   1H5*    C  24          H5*         C  24  -6.662 -10.558  12.587
  249   2H5*    C  24          2H5*        C  24  -6.857 -11.540  14.052
  250    H4*    C  24           H4*        C  24  -4.945 -12.367  12.998
  251    H3*    C  24           H3*        C  24  -4.184 -10.584  15.300
  252    H2*    C  24          1H2*        C  24  -1.871 -11.056  14.816
  253   2HO*    C  24          2HO*        C  24  -1.553 -12.560  12.892
  254    H1*    C  24           H1*        C  24  -2.137 -10.738  12.043
  255   1H4     C  24          1H4         C  24  -1.893  -4.640  14.566
  256   2H4     C  24          2H4         C  24  -0.284  -5.022  13.989
  257    H5     C  24           H5         C  24  -3.700  -6.264  14.548
  258    H6     C  24           H6         C  24  -4.313  -8.556  13.977
  259   1H5*    C  25          H5*         C  25  -1.717 -13.773  15.532
  260   2H5*    C  25          2H5*        C  25  -2.284 -14.770  16.886
  261    H4*    C  25           H4*        C  25   0.055 -14.875  16.939
  262    H3*    C  25           H3*        C  25  -1.062 -13.104  19.078
  263    H2*    C  25          1H2*        C  25   1.152 -12.513  19.790
  264   2HO*    C  25          2HO*        C  25   1.748 -14.902  19.064
  265    H1*    C  25           H1*        C  25   2.212 -12.141  17.237
  266   1H4     C  25          1H4         C  25  -1.395  -6.730  18.321
  267   2H4     C  25          2H4         C  25   0.160  -6.398  19.046
  268    H5     C  25           H5         C  25  -1.970  -8.886  17.374
  269    H6     C  25           H6         C  25  -1.180 -11.156  16.962
  270    H3T    C  25           H3T        C  25  -1.302 -15.186  19.461
  Start of MODEL   15
    1   1H5*    G   1          H5*         G   1   7.437  -0.624  16.695
    2   2H5*    G   1          2H5*        G   1   5.835  -1.287  16.324
    3    H4*    G   1           H4*        G   1   8.491  -2.525  16.176
    4    H3*    G   1           H3*        G   1   5.922  -2.759  14.656
    5    H2*    G   1          1H2*        G   1   6.488  -5.028  14.039
    6   2HO*    G   1          2HO*        G   1   8.959  -4.150  14.395
    7    H1*    G   1           H1*        G   1   7.139  -5.842  16.585
    8    H8     G   1           H8         G   1   4.569  -3.064  16.736
    9    H1     G   1           H1         G   1   2.093  -8.932  16.019
   10   1H2     G   1          1H2         G   1   5.364  -9.929  15.526
   11   2H2     G   1          2H2         G   1   3.676 -10.390  15.614
   12    H5T    G   1           H5T        G   1   6.524  -2.614  18.394
   13   1H5*    G   2          H5*         G   2   8.818  -4.099  12.287
   14   2H5*    G   2          2H5*        G   2   8.927  -3.429  10.647
   15    H4*    G   2           H4*        G   2   8.932  -5.732  10.346
   16    H3*    G   2           H3*        G   2   6.200  -4.622   9.774
   17    H2*    G   2          1H2*        G   2   5.453  -6.874   9.275
   18   2HO*    G   2          2HO*        G   2   8.027  -7.247   8.762
   19    H1*    G   2           H1*        G   2   6.483  -7.975  11.583
   20    H8     G   2           H8         G   2   5.621  -4.395  12.323
   21    H1     G   2           H1         G   2   0.608  -8.372  12.642
   22   1H2     G   2          1H2         G   2   2.743 -10.682  11.174
   23   2H2     G   2          2H2         G   2   1.143 -10.347  11.801
   24   1H5*    A   3          H5*         A   3   7.181  -7.212   7.020
   25   2H5*    A   3          2H5*        A   3   6.963  -6.781   5.313
   26    H4*    A   3           H4*        A   3   5.898  -8.840   5.582
   27    H3*    A   3           H3*        A   3   3.930  -6.585   5.442
   28    H2*    A   3          1H2*        A   3   2.124  -8.162   5.754
   29   2HO*    A   3          2HO*        A   3   3.952  -9.859   4.766
   30    H1*    A   3           H1*        A   3   3.265  -9.443   7.912
   31    H8     A   3           H8         A   3   4.452  -5.880   7.984
   32   1H6     A   3          1H6         A   3   0.867  -3.956  10.599
   33   2H6     A   3          2H6         A   3  -0.713  -4.522  11.096
   34    H2     A   3           H2         A   3  -1.105  -8.705   9.512
   35   1H5*    A   4          H5*         A   4   2.619  -9.429   2.975
   36   2H5*    A   4          2H5*        A   4   2.380  -8.960   1.280
   37    H4*    A   4           H4*        A   4   0.421 -10.049   1.808
   38    H3*    A   4           H3*        A   4   0.013  -7.089   2.016
   39    H2*    A   4          1H2*        A   4  -2.257  -7.459   2.766
   40   2HO*    A   4          2HO*        A   4  -2.157  -9.593   1.372
   41    H1*    A   4           H1*        A   4  -1.579  -9.269   4.718
   42    H8     A   4           H8         A   4   1.419  -7.038   4.332
   43   1H6     A   4          1H6         A   4   0.098  -3.505   7.393
   44   2H6     A   4          2H6         A   4  -1.415  -3.112   8.185
   45    H2     A   4           H2         A   4  -4.363  -6.268   6.996
   46   1H5*    G   5          H5*         G   5  -3.018  -8.448  -0.195
   47   2H5*    G   5          2H5*        G   5  -3.577  -7.485  -1.576
   48    H4*    G   5           H4*        G   5  -5.368  -7.756  -0.009
   49    H3*    G   5           H3*        G   5  -4.288  -4.947  -0.161
   50    H2*    G   5          1H2*        G   5  -6.045  -4.304   1.381
   51   2HO*    G   5          2HO*        G   5  -7.802  -5.504   1.580
   52    H1*    G   5           H1*        G   5  -5.515  -6.380   3.148
   53    H8     G   5           H8         G   5  -2.145  -5.703   1.947
   54    H1     G   5           H1         G   5  -4.358  -0.951   5.639
   55   1H2     G   5          1H2         G   5  -7.443  -2.399   5.135
   56   2H2     G   5          2H2         G   5  -6.524  -1.102   5.865
   57   1H5*    C   6          H5*         C   6  -8.038  -4.428   0.207
   58   2H5*    C   6          2H5*        C   6  -8.748  -3.994  -1.360
   59    H4*    C   6           H4*        C   6  -9.883  -2.636   0.103
   60    H3*    C   6           H3*        C   6  -7.649  -1.093  -1.150
   61    H2*    C   6          1H2*        C   6  -8.179   0.819   0.217
   62   2HO*    C   6          2HO*        C   6 -10.597  -0.170   0.103
   63    H1*    C   6           H1*        C   6  -8.466  -0.587   2.595
   64   1H4     C   6          1H4         C   6  -1.949  -0.589   1.708
   65   2H4     C   6          2H4         C   6  -2.296   0.939   2.479
   66    H5     C   6           H5         C   6  -3.673  -2.094   0.937
   67    H6     C   6           H6         C   6  -6.077  -2.449   0.765
   68   1H5*    A   7          H5*         A   7  -7.055   1.885  -3.091
   69   2H5*    A   7          2H5*        A   7  -7.325   0.935  -1.617
   70    H4*    A   7           H4*        A   7  -9.101   3.119  -1.529
   71    H3*    A   7           H3*        A   7  -6.488   3.949  -2.681
   72    H2*    A   7          1H2*        A   7  -6.177   5.665  -1.027
   73   2HO*    A   7          2HO*        A   7  -8.783   5.733  -1.041
   74    H1*    A   7           H1*        A   7  -6.826   4.150   1.168
   75    H8     A   7           H8         A   7  -5.446   1.414  -0.732
   76   1H6     A   7          1H6         A   7  -0.686   2.227  -0.219
   77   2H6     A   7          2H6         A   7   0.244   3.604   0.340
   78    H2     A   7           H2         A   7  -2.698   6.826   1.365
   79   1H5*    G   8          H5*         G   8  -7.125   7.348  -1.654
   80   2H5*    G   8          2H5*        G   8  -7.852   8.211  -3.023
   81    H4*    G   8           H4*        G   8  -6.299   9.714  -2.295
   82    H3*    G   8           H3*        G   8  -5.129   8.147  -4.551
   83    H2*    G   8          1H2*        G   8  -2.992   9.202  -4.241
   84   2HO*    G   8          2HO*        G   8  -4.482  11.182  -3.335
   85    H1*    G   8           H1*        G   8  -2.903   8.954  -1.489
   86    H8     G   8           H8         G   8  -4.744   5.949  -2.660
   87    H1     G   8           H1         G   8   1.603   5.547  -3.499
   88   1H2     G   8          1H2         G   8   1.598   8.915  -2.778
   89   2H2     G   8          2H2         G   8   2.539   7.501  -3.194
   90   1H5*    G   9          H5*         G   9  -4.018  11.737  -5.393
   91   2H5*    G   9          2H5*        G   9  -4.552  12.427  -6.938
   92    H4*    G   9           H4*        G   9  -2.260  12.739  -6.951
   93    H3*    G   9           H3*        G   9  -2.932  10.289  -8.561
   94    H2*    G   9          1H2*        G   9  -0.584  10.020  -9.022
   95   2HO*    G   9          2HO*        G   9   0.534  11.810  -9.192
   96    H1*    G   9           H1*        G   9   0.244  10.522  -6.392
   97    H8     G   9           H8         G   9  -2.971   8.572  -6.375
   98    H1     G   9           H1         G   9   2.272   4.972  -7.204
   99   1H2     G   9          1H2         G   9   3.907   7.996  -7.598
  100   2H2     G   9          2H2         G   9   4.026   6.252  -7.563
  101   1H5*    C  10          H5*         C  10  -0.500  12.784 -10.594
  102   2H5*    C  10          2H5*        C  10  -0.794  13.028 -12.328
  103    H4*    C  10           H4*        C  10   1.453  12.395 -12.118
  104    H3*    C  10           H3*        C  10  -0.243  10.152 -13.157
  105    H2*    C  10          1H2*        C  10   1.719   8.760 -13.255
  106   2HO*    C  10          2HO*        C  10   3.573   9.708 -13.652
  107    H1*    C  10           H1*        C  10   2.710   9.516 -10.750
  108   1H4     C  10          1H4         C  10  -2.211   5.196  -9.746
  109   2H4     C  10          2H4         C  10  -0.711   4.373  -9.448
  110    H5     C  10           H5         C  10  -2.284   7.533 -10.461
  111    H6     C  10           H6         C  10  -0.932   9.451 -11.124
  112   1H5*    U  11          H5*         U  11   2.538  10.081 -15.293
  113   2H5*    U  11          2H5*        U  11   2.533  10.017 -17.066
  114    H4*    U  11           H4*        U  11   3.570   8.040 -16.327
  115    H3*    U  11           H3*        U  11   0.799   7.623 -17.370
  116    H2*    U  11          1H2*        U  11   0.781   5.366 -16.684
  117   2HO*    U  11          2HO*        U  11   2.826   4.315 -16.186
  118    H1*    U  11           H1*        U  11   2.658   5.660 -14.490
  119    H3     U  11           H3         U  11  -0.832   3.510 -12.590
  120    H5     U  11           H5         U  11  -2.133   7.492 -13.097
  121    H6     U  11           H6         U  11  -0.149   7.887 -14.390
  122   1H5*    U  12          H5*         U  12   0.252   5.015 -19.554
  123   2H5*    U  12          2H5*        U  12   1.885   5.129 -18.870
  124    H4*    U  12           H4*        U  12   1.062   3.880 -21.487
  125    H3*    U  12           H3*        U  12   0.921   2.524 -19.243
  126    H2*    U  12          1H2*        U  12   3.060   3.146 -18.305
  127   2HO*    U  12          2HO*        U  12   3.635   1.098 -18.142
  128    H1*    U  12           H1*        U  12   4.446   2.618 -20.971
  129    H3     U  12           H3         U  12   8.178   4.038 -18.931
  130    H5     U  12           H5         U  12   5.462   7.171 -18.296
  131    H6     U  12           H6         U  12   3.762   5.799 -19.300
  132   1H5*    C  13          H5*         C  13   2.229  -0.139 -18.485
  133   2H5*    C  13          2H5*        C  13   1.300  -1.564 -18.988
  134    H4*    C  13           H4*        C  13   1.601  -1.458 -16.572
  135    H3*    C  13           H3*        C  13  -0.711  -2.238 -17.708
  136    H2*    C  13          1H2*        C  13  -1.805  -0.072 -17.648
  137   2HO*    C  13          2HO*        C  13  -2.490  -0.518 -15.017
  138    H1*    C  13           H1*        C  13  -0.641   0.278 -14.826
  139   1H4     C  13          1H4         C  13  -2.123   6.332 -16.997
  140   2H4     C  13          2H4         C  13  -2.920   6.128 -15.451
  141    H5     C  13           H5         C  13  -0.899   4.547 -18.074
  142    H6     C  13           H6         C  13  -0.181   2.227 -17.882
  143   1H5*    G  14          H5*         G  14   1.049  -3.527 -17.231
  144   2H5*    G  14          2H5*        G  14   1.224  -5.224 -17.716
  145    H4*    G  14           H4*        G  14   2.886  -5.637 -16.242
  146    H3*    G  14           H3*        G  14   1.673  -3.610 -14.370
  147    H2*    G  14          1H2*        G  14   3.833  -3.312 -13.388
  148   2HO*    G  14          2HO*        G  14   4.066  -5.865 -13.928
  149    H1*    G  14           H1*        G  14   5.269  -3.590 -15.845
  150    H8     G  14           H8         G  14   6.187  -1.312 -16.376
  151    H1     G  14           H1         G  14   1.354   1.609 -13.321
  152   1H2     G  14          1H2         G  14   0.062  -1.596 -12.991
  153   2H2     G  14          2H2         G  14  -0.139   0.113 -12.667
  154   1H5*    G  15          H5*         G  15   3.845  -4.966 -10.626
  155   2H5*    G  15          2H5*        G  15   2.784  -3.753  -9.884
  156    H4*    G  15           H4*        G  15   5.269  -3.433 -11.435
  157    H3*    G  15           H3*        G  15   4.050  -2.138  -9.044
  158    H2*    G  15          1H2*        G  15   5.050  -0.025  -9.588
  159   2HO*    G  15          2HO*        G  15   6.959  -0.138 -10.510
  160    H1*    G  15           H1*        G  15   4.386  -0.023 -12.262
  161    H8     G  15           H8         G  15   1.594  -1.879 -10.741
  162    H1     G  15           H1         G  15   1.221   4.426  -9.690
  163   1H2     G  15          1H2         G  15   4.462   4.495 -10.870
  164   2H2     G  15          2H2         G  15   3.099   5.406 -10.260
  165   1H5*    C  16          H5*         C  16   8.250  -1.047  -8.899
  166   2H5*    C  16          2H5*        C  16   8.748  -1.021  -7.196
  167    H4*    C  16           H4*        C  16   9.106   1.119  -8.367
  168    H3*    C  16           H3*        C  16   7.357   1.031  -5.933
  169    H2*    C  16          1H2*        C  16   6.901   3.378  -6.166
  170   2HO*    C  16          2HO*        C  16   8.149   4.694  -7.389
  171    H1*    C  16           H1*        C  16   6.512   3.335  -8.932
  172   1H4     C  16          1H4         C  16   0.899   0.902  -6.522
  173   2H4     C  16          2H4         C  16   0.672   2.638  -6.582
  174    H5     C  16           H5         C  16   3.018  -0.162  -6.994
  175    H6     C  16           H6         C  16   5.339   0.219  -7.637
  176   1H5*    C  17          H5*         C  17   9.372   4.805  -6.029
  177   2H5*    C  17          2H5*        C  17  10.585   4.541  -4.761
  178    H4*    C  17           H4*        C  17   9.927   6.710  -4.393
  179    H3*    C  17           H3*        C  17   8.475   4.892  -2.515
  180    H2*    C  17          1H2*        C  17   7.170   6.725  -1.680
  181   2HO*    C  17          2HO*        C  17   9.314   8.110  -2.427
  182    H1*    C  17           H1*        C  17   6.553   7.819  -4.150
  183   1H4     C  17          1H4         C  17   2.882   2.336  -3.800
  184   2H4     C  17          2H4         C  17   1.808   3.668  -3.465
  185    H5     C  17           H5         C  17   5.265   2.601  -4.113
  186    H6     C  17           H6         C  17   7.100   4.204  -4.188
  187   1H5*    U  18          H5*         U  18   9.144   7.893   0.003
  188   2H5*    U  18          2H5*        U  18  10.780   7.553   0.597
  189    H4*    U  18           H4*        U  18  10.154   7.497   2.767
  190    H3*    U  18           H3*        U  18   8.250   5.730   2.327
  191    H2*    U  18          1H2*        U  18   6.644   7.109   1.200
  192   2HO*    U  18          2HO*        U  18   6.109   7.722   3.944
  193    H1*    U  18           H1*        U  18   7.038   9.434   3.113
  194    H3     U  18           H3         U  18   5.417  12.506   0.342
  195    H5     U  18           H5         U  18   6.345   9.334  -2.245
  196    H6     U  18           H6         U  18   7.221   8.145  -0.358
  197   1H5*    U  19          H5*         U  19   4.849   5.450   6.664
  198   2H5*    U  19          2H5*        U  19   4.705   5.824   4.936
  199    H4*    U  19           H4*        U  19   4.785   7.913   7.104
  200    H3*    U  19           H3*        U  19   2.391   6.462   6.025
  201    H2*    U  19          1H2*        U  19   1.176   8.537   5.949
  202   2HO*    U  19          2HO*        U  19   1.693   9.733   7.675
  203    H1*    U  19           H1*        U  19   3.251  10.043   4.848
  204    H3     U  19           H3         U  19   0.099   9.378   1.609
  205    H5     U  19           H5         U  19   2.638   6.041   1.426
  206    H6     U  19           H6         U  19   3.659   6.802   3.467
  207   1H5*    G  20          H5*         G  20   0.390   8.525   7.841
  208   2H5*    G  20          2H5*        G  20  -0.131   7.885   9.411
  209    H4*    G  20           H4*        G  20  -2.034   8.864   8.517
  210    H3*    G  20           H3*        G  20  -2.099   5.891   8.232
  211    H2*    G  20          1H2*        G  20  -4.189   6.028   7.022
  212   2HO*    G  20          2HO*        G  20  -4.386   8.335   8.342
  213    H1*    G  20           H1*        G  20  -3.329   7.918   5.232
  214    H8     G  20           H8         G  20  -0.093   6.446   5.899
  215    H1     G  20           H1         G  20  -3.849   2.422   2.612
  216   1H2     G  20          1H2         G  20  -6.411   4.519   3.582
  217   2H2     G  20          2H2         G  20  -5.949   3.062   2.732
  218   1H5*    U  21          H5*         U  21  -5.665   6.214   9.481
  219   2H5*    U  21          2H5*        U  21  -6.066   5.339  10.972
  220    H4*    U  21           H4*        U  21  -7.543   4.577   9.299
  221    H3*    U  21           H3*        U  21  -5.439   2.587  10.048
  222    H2*    U  21          1H2*        U  21  -6.208   1.073   8.358
  223   2HO*    U  21          2HO*        U  21  -8.342   1.071   8.193
  224    H1*    U  21           H1*        U  21  -6.582   2.976   6.352
  225    H3     U  21           H3         U  21  -2.898   0.497   5.250
  226    H5     U  21           H5         U  21  -1.504   3.587   7.711
  227    H6     U  21           H6         U  21  -3.795   4.137   8.200
  228   1H5*    U  22          H5*         U  22  -9.390   0.782   9.825
  229   2H5*    U  22          2H5*        U  22  -9.736   0.132  11.439
  230    H4*    U  22           H4*        U  22 -10.571  -1.460   9.966
  231    H3*    U  22           H3*        U  22  -7.935  -2.322  11.101
  232    H2*    U  22          1H2*        U  22  -8.005  -4.319   9.744
  233   2HO*    U  22          2HO*        U  22  -9.837  -5.018   8.831
  234    H1*    U  22           H1*        U  22  -8.643  -3.024   7.393
  235    H3     U  22           H3         U  22  -4.140  -3.920   7.383
  236    H5     U  22           H5         U  22  -4.569  -0.128   9.120
  237    H6     U  22           H6         U  22  -6.942  -0.521   9.209
  238   1H5*    U  23          H5*         U  23  -9.901  -5.538  10.609
  239   2H5*    U  23          2H5*        U  23 -10.071  -6.546  12.058
  240    H4*    U  23           H4*        U  23  -9.219  -7.915  10.328
  241    H3*    U  23           H3*        U  23  -7.145  -7.235  12.398
  242    H2*    U  23          1H2*        U  23  -5.579  -8.619  11.186
  243   2HO*    U  23          2HO*        U  23  -7.827  -9.821  10.388
  244    H1*    U  23           H1*        U  23  -6.258  -7.597   8.674
  245    H3     U  23           H3         U  23  -2.173  -5.903   9.727
  246    H5     U  23           H5         U  23  -4.952  -3.346  11.577
  247    H6     U  23           H6         U  23  -6.666  -4.937  11.015
  248   1H5*    C  24          H5*         C  24  -7.146 -11.140  11.670
  249   2H5*    C  24          2H5*        C  24  -7.335 -12.213  13.071
  250    H4*    C  24           H4*        C  24  -5.568 -13.088  11.802
  251    H3*    C  24           H3*        C  24  -4.600 -11.671  14.265
  252    H2*    C  24          1H2*        C  24  -2.328 -12.192  13.636
  253   2HO*    C  24          2HO*        C  24  -3.523 -13.696  11.516
  254    H1*    C  24           H1*        C  24  -2.609 -11.391  10.995
  255   1H4     C  24          1H4         C  24  -2.539  -5.717  14.355
  256   2H4     C  24          2H4         C  24  -0.867  -6.092  13.992
  257    H5     C  24           H5         C  24  -4.349  -7.261  13.863
  258    H6     C  24           H6         C  24  -4.908  -9.442  12.926
  259   1H5*    C  25          H5*         C  25  -2.862 -15.283  14.348
  260   2H5*    C  25          2H5*        C  25  -2.949 -16.199  15.866
  261    H4*    C  25           H4*        C  25  -0.678 -16.086  15.307
  262    H3*    C  25           H3*        C  25  -1.392 -14.215  17.536
  263    H2*    C  25          1H2*        C  25   0.866 -13.400  17.595
  264   2HO*    C  25          2HO*        C  25   1.465 -15.806  16.871
  265    H1*    C  25           H1*        C  25   1.185 -13.196  14.828
  266   1H4     C  25          1H4         C  25  -2.467  -7.980  16.594
  267   2H4     C  25          2H4         C  25  -0.808  -7.424  16.496
  268    H5     C  25           H5         C  25  -3.080 -10.310  16.301
  269    H6     C  25           H6         C  25  -2.230 -12.554  15.865
  270    H3T    C  25           H3T        C  25  -1.331 -16.393  17.924
  Start of MODEL   16
    1   1H5*    G   1          H5*         G   1   4.376   0.637  17.201
    2   2H5*    G   1          2H5*        G   1   5.591   1.484  18.175
    3    H4*    G   1           H4*        G   1   7.311  -0.058  17.278
    4    H3*    G   1           H3*        G   1   5.000  -1.294  15.833
    5    H2*    G   1          1H2*        G   1   5.811  -3.492  16.366
    6   2HO*    G   1          2HO*        G   1   8.140  -2.362  16.304
    7    H1*    G   1           H1*        G   1   6.284  -3.008  19.036
    8    H8     G   1           H8         G   1   3.438  -0.826  18.577
    9    H1     G   1           H1         G   1   1.718  -6.982  18.125
   10   1H2     G   1          1H2         G   1   5.111  -7.583  17.837
   11   2H2     G   1          2H2         G   1   3.495  -8.254  17.869
   12    H5T    G   1           H5T        G   1   5.760   1.121  15.356
   13   1H5*    G   2          H5*         G   2   8.339  -3.610  14.709
   14   2H5*    G   2          2H5*        G   2   8.540  -3.308  12.972
   15    H4*    G   2           H4*        G   2   8.821  -5.617  13.291
   16    H3*    G   2           H3*        G   2   6.195  -4.935  12.020
   17    H2*    G   2          1H2*        G   2   5.591  -7.274  12.021
   18   2HO*    G   2          2HO*        G   2   8.154  -7.653  11.888
   19    H1*    G   2           H1*        G   2   6.227  -7.711  14.658
   20    H8     G   2           H8         G   2   5.308  -4.160  14.760
   21    H1     G   2           H1         G   2   0.187  -7.939  14.067
   22   1H2     G   2          1H2         G   2   2.499 -10.421  13.338
   23   2H2     G   2          2H2         G   2   0.813  -9.985  13.506
   24   1H5*    A   3          H5*         A   3   7.723  -8.074   9.612
   25   2H5*    A   3          2H5*        A   3   8.105  -7.342   8.041
   26    H4*    A   3           H4*        A   3   7.094  -9.309   7.434
   27    H3*    A   3           H3*        A   3   5.082  -7.099   7.346
   28    H2*    A   3          1H2*        A   3   3.329  -8.681   6.828
   29   2HO*    A   3          2HO*        A   3   3.820 -10.542   5.920
   30    H1*    A   3           H1*        A   3   3.906 -10.394   8.879
   31    H8     A   3           H8         A   3   5.161  -7.191  10.239
   32   1H6     A   3          1H6         A   3   1.013  -5.297  11.894
   33   2H6     A   3          2H6         A   3  -0.674  -5.702  11.646
   34    H2     A   3           H2         A   3  -0.771  -9.290   8.976
   35   1H5*    A   4          H5*         A   4   4.323  -9.564   4.464
   36   2H5*    A   4          2H5*        A   4   4.402  -8.914   2.816
   37    H4*    A   4           H4*        A   4   2.441 -10.163   2.873
   38    H3*    A   4           H3*        A   4   1.892  -7.229   3.064
   39    H2*    A   4          1H2*        A   4  -0.465  -7.655   3.332
   40   2HO*    A   4          2HO*        A   4   0.069  -9.790   1.940
   41    H1*    A   4           H1*        A   4  -0.184  -9.590   5.276
   42    H8     A   4           H8         A   4   2.736  -7.313   5.760
   43   1H6     A   4          1H6         A   4   0.652  -3.975   8.576
   44   2H6     A   4          2H6         A   4  -1.007  -3.610   8.998
   45    H2     A   4           H2         A   4  -3.541  -6.687   6.931
   46   1H5*    G   5          H5*         G   5  -0.643  -7.909  -0.469
   47   2H5*    G   5          2H5*        G   5  -0.638  -6.332  -1.280
   48    H4*    G   5           H4*        G   5  -2.792  -7.254  -0.118
   49    H3*    G   5           H3*        G   5  -1.865  -4.388  -0.082
   50    H2*    G   5          1H2*        G   5  -3.864  -3.872   1.194
   51   2HO*    G   5          2HO*        G   5  -4.711  -6.171   0.051
   52    H1*    G   5           H1*        G   5  -3.474  -5.941   3.004
   53    H8     G   5           H8         G   5  -0.008  -5.104   2.338
   54    H1     G   5           H1         G   5  -2.968  -0.444   5.601
   55   1H2     G   5          1H2         G   5  -5.870  -2.045   4.659
   56   2H2     G   5          2H2         G   5  -5.134  -0.701   5.503
   57   1H5*    C   6          H5*         C   6  -5.736  -4.405  -0.224
   58   2H5*    C   6          2H5*        C   6  -6.279  -4.016  -1.868
   59    H4*    C   6           H4*        C   6  -7.840  -3.024  -0.445
   60    H3*    C   6           H3*        C   6  -5.952  -1.059  -1.657
   61    H2*    C   6          1H2*        C   6  -6.843   0.735  -0.342
   62   2HO*    C   6          2HO*        C   6  -8.878   0.682   0.266
   63    H1*    C   6           H1*        C   6  -7.015  -0.648   2.065
   64   1H4     C   6          1H4         C   6  -0.581   0.602   1.447
   65   2H4     C   6          2H4         C   6  -1.231   1.964   2.326
   66    H5     C   6           H5         C   6  -1.949  -1.149   0.516
   67    H6     C   6           H6         C   6  -4.229  -1.959   0.234
   68   1H5*    A   7          H5*         A   7  -6.344   2.316  -3.579
   69   2H5*    A   7          2H5*        A   7  -6.009   1.203  -2.239
   70    H4*    A   7           H4*        A   7  -8.313   2.852  -1.688
   71    H3*    A   7           H3*        A   7  -5.950   4.323  -2.720
   72    H2*    A   7          1H2*        A   7  -5.821   5.742  -0.790
   73   2HO*    A   7          2HO*        A   7  -8.393   5.446  -0.767
   74    H1*    A   7           H1*        A   7  -6.180   3.793   1.129
   75    H8     A   7           H8         A   7  -4.356   1.737  -1.227
   76   1H6     A   7          1H6         A   7   0.197   3.273  -0.465
   77   2H6     A   7          2H6         A   7   0.859   4.666   0.371
   78    H2     A   7           H2         A   7  -2.588   7.032   1.945
   79   1H5*    G   8          H5*         G   8  -7.062   7.269  -1.768
   80   2H5*    G   8          2H5*        G   8  -7.720   8.392  -2.974
   81    H4*    G   8           H4*        G   8  -6.098   9.717  -2.167
   82    H3*    G   8           H3*        G   8  -4.762   8.124  -4.320
   83    H2*    G   8          1H2*        G   8  -2.628   9.098  -3.717
   84   2HO*    G   8          2HO*        G   8  -4.033  11.097  -2.903
   85    H1*    G   8           H1*        G   8  -2.828   8.479  -1.065
   86    H8     G   8           H8         G   8  -5.019   5.988  -2.754
   87    H1     G   8           H1         G   8   1.203   4.555  -3.228
   88   1H2     G   8          1H2         G   8   1.714   7.749  -1.986
   89   2H2     G   8          2H2         G   8   2.434   6.265  -2.572
   90   1H5*    G   9          H5*         G   9  -3.160  11.536  -4.814
   91   2H5*    G   9          2H5*        G   9  -3.486  12.356  -6.354
   92    H4*    G   9           H4*        G   9  -1.184  12.485  -6.114
   93    H3*    G   9           H3*        G   9  -1.897  10.250  -7.989
   94    H2*    G   9          1H2*        G   9   0.452   9.758  -8.240
   95   2HO*    G   9          2HO*        G   9   1.971  11.204  -7.742
   96    H1*    G   9           H1*        G   9   1.011   9.815  -5.524
   97    H8     G   9           H8         G   9  -2.408   8.486  -5.528
   98    H1     G   9           H1         G   9   1.855   4.210  -7.673
   99   1H2     G   9          1H2         G   9   4.017   6.904  -7.836
  100   2H2     G   9          2H2         G   9   3.781   5.191  -8.086
  101   1H5*    C  10          H5*         C  10   1.534  12.148  -9.214
  102   2H5*    C  10          2H5*        C  10   1.183  12.939 -10.763
  103    H4*    C  10           H4*        C  10   3.300  12.052 -11.048
  104    H3*    C  10           H3*        C  10   1.273  10.245 -12.327
  105    H2*    C  10          1H2*        C  10   3.074   8.771 -12.988
  106   2HO*    C  10          2HO*        C  10   4.524  11.060 -12.564
  107    H1*    C  10           H1*        C  10   4.266   8.714 -10.489
  108   1H4     C  10          1H4         C  10  -1.335   5.224  -9.943
  109   2H4     C  10          2H4         C  10  -0.061   4.088 -10.266
  110    H5     C  10           H5         C  10  -0.948   7.632  -9.903
  111    H6     C  10           H6         C  10   0.715   9.383 -10.227
  112   1H5*    U  11          H5*         U  11   3.805   9.697 -14.779
  113   2H5*    U  11          2H5*        U  11   3.403  10.256 -16.414
  114    H4*    U  11           H4*        U  11   4.029   8.001 -16.619
  115    H3*    U  11           H3*        U  11   1.061   8.389 -16.836
  116    H2*    U  11          1H2*        U  11   0.775   6.026 -17.099
  117   2HO*    U  11          2HO*        U  11   2.406   4.715 -17.718
  118    H1*    U  11           H1*        U  11   2.717   5.282 -15.184
  119    H3     U  11           H3         U  11  -1.272   3.948 -13.495
  120    H5     U  11           H5         U  11  -1.000   8.058 -12.595
  121    H6     U  11           H6         U  11   0.946   8.150 -14.005
  122   1H5*    U  12          H5*         U  12   1.360   7.742 -22.130
  123   2H5*    U  12          2H5*        U  12  -0.101   6.764 -21.893
  124    H4*    U  12           H4*        U  12   1.277   5.407 -23.158
  125    H3*    U  12           H3*        U  12   0.585   4.375 -20.774
  126    H2*    U  12          1H2*        U  12   2.562   5.046 -19.555
  127   2HO*    U  12          2HO*        U  12   2.888   2.519 -20.770
  128    H1*    U  12           H1*        U  12   4.238   4.251 -22.003
  129    H3     U  12           H3         U  12   7.916   5.290 -19.660
  130    H5     U  12           H5         U  12   5.482   8.681 -19.205
  131    H6     U  12           H6         U  12   3.743   7.494 -20.369
  132   1H5*    C  13          H5*         C  13   1.789   0.928 -19.786
  133   2H5*    C  13          2H5*        C  13   0.666  -0.127 -20.665
  134    H4*    C  13           H4*        C  13   0.677  -0.467 -18.216
  135    H3*    C  13           H3*        C  13  -1.499  -0.724 -19.752
  136    H2*    C  13          1H2*        C  13  -2.272   1.568 -19.567
  137   2HO*    C  13          2HO*        C  13  -3.813  -0.054 -18.586
  138    H1*    C  13           H1*        C  13  -1.620   1.438 -16.571
  139   1H4     C  13          1H4         C  13  -1.711   7.829 -18.250
  140   2H4     C  13          2H4         C  13  -2.833   7.626 -16.922
  141    H5     C  13           H5         C  13  -0.552   5.959 -19.274
  142    H6     C  13           H6         C  13  -0.236   3.542 -19.221
  143   1H5*    G  14          H5*         G  14   0.003  -2.291 -19.231
  144   2H5*    G  14          2H5*        G  14  -0.070  -3.884 -20.006
  145    H4*    G  14           H4*        G  14   1.359  -4.838 -18.537
  146    H3*    G  14           H3*        G  14   0.324  -2.983 -16.403
  147    H2*    G  14          1H2*        G  14   2.415  -3.162 -15.270
  148   2HO*    G  14          2HO*        G  14   2.348  -5.573 -15.790
  149    H1*    G  14           H1*        G  14   4.003  -3.368 -17.654
  150    H8     G  14           H8         G  14   5.430  -1.316 -17.606
  151    H1     G  14           H1         G  14   0.816   2.163 -14.817
  152   1H2     G  14          1H2         G  14  -1.105  -0.714 -15.164
  153   2H2     G  14          2H2         G  14  -1.028   0.944 -14.612
  154   1H5*    G  15          H5*         G  15   1.811  -5.531 -12.906
  155   2H5*    G  15          2H5*        G  15   1.003  -4.289 -11.930
  156    H4*    G  15           H4*        G  15   3.670  -4.346 -13.038
  157    H3*    G  15           H3*        G  15   2.285  -2.824 -10.869
  158    H2*    G  15          1H2*        G  15   3.919  -1.059 -11.030
  159   2HO*    G  15          2HO*        G  15   5.517  -2.939 -11.762
  160    H1*    G  15           H1*        G  15   3.812  -0.814 -13.769
  161    H8     G  15           H8         G  15   0.409  -1.965 -12.836
  162    H1     G  15           H1         G  15   1.374   4.248 -11.638
  163   1H2     G  15          1H2         G  15   4.684   3.548 -12.246
  164   2H2     G  15          2H2         G  15   3.490   4.750 -11.817
  165   1H5*    C  16          H5*         C  16   6.440  -2.283 -10.344
  166   2H5*    C  16          2H5*        C  16   6.805  -2.736  -8.668
  167    H4*    C  16           H4*        C  16   7.769  -0.597  -9.147
  168    H3*    C  16           H3*        C  16   5.487  -0.571  -7.197
  169    H2*    C  16          1H2*        C  16   5.699   1.817  -7.004
  170   2HO*    C  16          2HO*        C  16   8.215   1.310  -7.532
  171    H1*    C  16           H1*        C  16   6.001   2.295  -9.742
  172   1H4     C  16          1H4         C  16  -0.446   1.215  -8.744
  173   2H4     C  16          2H4         C  16  -0.219   2.951  -8.786
  174    H5     C  16           H5         C  16   1.417  -0.342  -8.841
  175    H6     C  16           H6         C  16   3.844  -0.538  -8.994
  176   1H5*    C  17          H5*         C  17   8.379   2.061  -5.683
  177   2H5*    C  17          2H5*        C  17   8.942   1.320  -4.172
  178    H4*    C  17           H4*        C  17   8.694   3.545  -3.623
  179    H3*    C  17           H3*        C  17   6.275   2.030  -2.695
  180    H2*    C  17          1H2*        C  17   5.316   4.090  -1.896
  181   2HO*    C  17          2HO*        C  17   7.928   4.837  -1.931
  182    H1*    C  17           H1*        C  17   5.792   5.507  -4.215
  183   1H4     C  17          1H4         C  17   1.027   1.182  -5.771
  184   2H4     C  17          2H4         C  17   0.242   2.712  -5.440
  185    H5     C  17           H5         C  17   3.413   0.854  -5.470
  186    H6     C  17           H6         C  17   5.500   1.917  -4.794
  187   1H5*    U  18          H5*         U  18   7.574   5.164  -0.066
  188   2H5*    U  18          2H5*        U  18   8.611   4.119   0.923
  189    H4*    U  18           H4*        U  18   8.049   5.193   2.744
  190    H3*    U  18           H3*        U  18   5.807   3.763   2.648
  191    H2*    U  18          1H2*        U  18   4.417   5.147   1.291
  192   2HO*    U  18          2HO*        U  18   4.349   6.315   3.893
  193    H1*    U  18           H1*        U  18   5.460   7.743   2.442
  194    H3     U  18           H3         U  18   4.076  10.125  -1.025
  195    H5     U  18           H5         U  18   4.680   6.342  -2.728
  196    H6     U  18           H6         U  18   5.421   5.566  -0.581
  197   1H5*    U  19          H5*         U  19   3.002   5.314   7.199
  198   2H5*    U  19          2H5*        U  19   3.046   5.930   5.535
  199    H4*    U  19           H4*        U  19   4.312   7.323   7.890
  200    H3*    U  19           H3*        U  19   1.501   7.499   6.926
  201    H2*    U  19          1H2*        U  19   1.541   9.881   6.861
  202   2HO*    U  19          2HO*        U  19   3.098   9.554   8.936
  203    H1*    U  19           H1*        U  19   4.174  10.190   5.940
  204    H3     U  19           H3         U  19   1.460  11.695   2.626
  205    H5     U  19           H5         U  19   1.670   7.539   2.091
  206    H6     U  19           H6         U  19   2.792   7.398   4.214
  207   1H5*    G  20          H5*         G  20   0.025   8.666   7.794
  208   2H5*    G  20          2H5*        G  20  -0.300   9.526   9.310
  209    H4*    G  20           H4*        G  20  -2.469   9.586   8.917
  210    H3*    G  20           H3*        G  20  -2.241   6.631   8.645
  211    H2*    G  20          1H2*        G  20  -4.264   6.500   7.340
  212   2HO*    G  20          2HO*        G  20  -5.731   7.970   7.804
  213    H1*    G  20           H1*        G  20  -3.587   8.453   5.553
  214    H8     G  20           H8         G  20  -0.204   7.494   6.374
  215    H1     G  20           H1         G  20  -3.170   2.854   3.093
  216   1H2     G  20          1H2         G  20  -6.054   4.591   3.844
  217   2H2     G  20          2H2         G  20  -5.337   3.194   3.071
  218   1H5*    U  21          H5*         U  21  -5.918   6.519   9.077
  219   2H5*    U  21          2H5*        U  21  -6.440   5.472  10.410
  220    H4*    U  21           H4*        U  21  -7.349   4.731   8.286
  221    H3*    U  21           H3*        U  21  -5.514   2.905   9.774
  222    H2*    U  21          1H2*        U  21  -5.522   1.316   7.984
  223   2HO*    U  21          2HO*        U  21  -7.940   1.971   7.679
  224    H1*    U  21           H1*        U  21  -5.358   3.149   5.882
  225    H3     U  21           H3         U  21  -1.349   0.944   6.182
  226    H5     U  21           H5         U  21  -1.054   4.243   8.747
  227    H6     U  21           H6         U  21  -3.415   4.601   8.447
  228   1H5*    U  22          H5*         U  22  -9.391   0.428   8.903
  229   2H5*    U  22          2H5*        U  22  -9.617  -0.372  10.471
  230    H4*    U  22           H4*        U  22  -9.783  -1.939   8.613
  231    H3*    U  22           H3*        U  22  -7.532  -2.367  10.560
  232    H2*    U  22          1H2*        U  22  -6.834  -4.275   9.287
  233   2HO*    U  22          2HO*        U  22  -8.270  -5.415   8.209
  234    H1*    U  22           H1*        U  22  -7.271  -3.106   6.756
  235    H3     U  22           H3         U  22  -2.782  -3.804   7.408
  236    H5     U  22           H5         U  22  -3.627  -0.001   8.976
  237    H6     U  22           H6         U  22  -5.968  -0.506   8.731
  238   1H5*    U  23          H5*         U  23  -9.448  -5.985   9.363
  239   2H5*    U  23          2H5*        U  23 -10.078  -6.729  10.845
  240    H4*    U  23           H4*        U  23  -9.197  -8.491   9.600
  241    H3*    U  23           H3*        U  23  -7.303  -7.703  11.797
  242    H2*    U  23          1H2*        U  23  -5.825  -9.477  11.068
  243   2HO*    U  23          2HO*        U  23  -6.715 -11.155  10.115
  244    H1*    U  23           H1*        U  23  -5.911  -8.751   8.398
  245    H3     U  23           H3         U  23  -1.971  -7.029   9.814
  246    H5     U  23           H5         U  23  -4.852  -4.331  11.229
  247    H6     U  23           H6         U  23  -6.547  -5.876  10.505
  248   1H5*    C  24          H5*         C  24  -7.270 -11.600  11.947
  249   2H5*    C  24          2H5*        C  24  -7.200 -12.276  13.586
  250    H4*    C  24           H4*        C  24  -5.258 -12.911  12.282
  251    H3*    C  24           H3*        C  24  -4.687 -11.099  14.625
  252    H2*    C  24          1H2*        C  24  -2.338 -11.398  14.111
  253   2HO*    C  24          2HO*        C  24  -1.654 -13.033  12.875
  254    H1*    C  24           H1*        C  24  -2.686 -10.935  11.376
  255   1H4     C  24          1H4         C  24  -3.088  -4.956  14.111
  256   2H4     C  24          2H4         C  24  -1.374  -5.325  14.075
  257    H5     C  24           H5         C  24  -4.778  -6.597  13.516
  258    H6     C  24           H6         C  24  -5.154  -8.894  12.784
  259   1H5*    C  25          H5*         C  25  -1.817 -13.939  14.648
  260   2H5*    C  25          2H5*        C  25  -2.051 -14.924  16.105
  261    H4*    C  25           H4*        C  25   0.259 -14.577  15.921
  262    H3*    C  25           H3*        C  25  -0.968 -12.864  18.055
  263    H2*    C  25          1H2*        C  25   1.182 -11.894  18.509
  264   2HO*    C  25          2HO*        C  25   3.064 -12.776  17.701
  265    H1*    C  25           H1*        C  25   1.904 -11.539  15.834
  266   1H4     C  25          1H4         C  25  -2.374  -6.672  17.064
  267   2H4     C  25          2H4         C  25  -0.798  -6.037  17.474
  268    H5     C  25           H5         C  25  -2.728  -8.989  16.440
  269    H6     C  25           H6         C  25  -1.645 -11.144  16.083
  270    H3T    C  25           H3T        C  25  -0.749 -15.126  18.240
  Start of MODEL   17
    1   1H5*    G   1          H5*         G   1   8.730   0.632  15.665
    2   2H5*    G   1          2H5*        G   1   7.826  -0.348  16.834
    3    H4*    G   1           H4*        G   1  10.094  -1.493  15.241
    4    H3*    G   1           H3*        G   1   7.307  -1.031  14.241
    5    H2*    G   1          1H2*        G   1   7.267  -3.249  13.310
    6   2HO*    G   1          2HO*        G   1   9.115  -3.976  12.578
    7    H1*    G   1           H1*        G   1   8.381  -4.522  15.522
    8    H8     G   1           H8         G   1   6.093  -1.591  16.368
    9    H1     G   1           H1         G   1   3.191  -7.297  15.977
   10   1H2     G   1          1H2         G   1   6.229  -8.412  14.760
   11   2H2     G   1          2H2         G   1   4.578  -8.809  15.191
   12    H5T    G   1           H5T        G   1  10.062  -0.925  17.608
   13   1H5*    G   2          H5*         G   2   9.594  -2.811  11.031
   14   2H5*    G   2          2H5*        G   2   8.886  -2.289   9.491
   15    H4*    G   2           H4*        G   2   8.838  -4.734   9.853
   16    H3*    G   2           H3*        G   2   6.217  -3.304   9.439
   17    H2*    G   2          1H2*        G   2   5.146  -5.462   9.510
   18   2HO*    G   2          2HO*        G   2   6.333  -6.974   8.578
   19    H1*    G   2           H1*        G   2   6.641  -6.387  11.705
   20    H8     G   2           H8         G   2   5.764  -2.770  12.195
   21    H1     G   2           H1         G   2   1.042  -6.829  13.731
   22   1H2     G   2          1H2         G   2   3.021  -9.219  12.199
   23   2H2     G   2          2H2         G   2   1.530  -8.861  13.045
   24   1H5*    A   3          H5*         A   3   6.855  -6.385   6.563
   25   2H5*    A   3          2H5*        A   3   6.111  -6.084   4.980
   26    H4*    A   3           H4*        A   3   5.421  -8.223   5.877
   27    H3*    A   3           H3*        A   3   3.296  -6.137   5.523
   28    H2*    A   3          1H2*        A   3   1.660  -7.666   6.407
   29   2HO*    A   3          2HO*        A   3   1.999  -9.718   5.986
   30    H1*    A   3           H1*        A   3   3.184  -8.482   8.575
   31    H8     A   3           H8         A   3   4.043  -4.881   8.013
   32   1H6     A   3          1H6         A   3   0.451  -2.853  10.570
   33   2H6     A   3          2H6         A   3  -1.036  -3.472  11.259
   34    H2     A   3           H2         A   3  -1.133  -7.864  10.367
   35   1H5*    A   4          H5*         A   4   1.893  -9.673   3.980
   36   2H5*    A   4          2H5*        A   4   1.620  -9.547   2.231
   37    H4*    A   4           H4*        A   4  -0.238 -10.691   2.936
   38    H3*    A   4           H3*        A   4  -0.878  -7.793   2.646
   39    H2*    A   4          1H2*        A   4  -3.071  -8.108   3.595
   40   2HO*    A   4          2HO*        A   4  -2.788 -10.534   2.627
   41    H1*    A   4           H1*        A   4  -2.251  -9.558   5.779
   42    H8     A   4           H8         A   4   0.587  -7.272   4.782
   43   1H6     A   4          1H6         A   4  -0.632  -3.418   7.480
   44   2H6     A   4          2H6         A   4  -2.063  -3.007   8.398
   45    H2     A   4           H2         A   4  -4.913  -6.433   7.971
   46   1H5*    G   5          H5*         G   5  -4.040  -9.194   1.809
   47   2H5*    G   5          2H5*        G   5  -4.730  -8.905   0.201
   48    H4*    G   5           H4*        G   5  -6.392  -8.227   1.667
   49    H3*    G   5           H3*        G   5  -4.882  -5.765   0.783
   50    H2*    G   5          1H2*        G   5  -6.525  -4.496   2.027
   51   2HO*    G   5          2HO*        G   5  -8.028  -6.640   1.511
   52    H1*    G   5           H1*        G   5  -6.428  -6.213   4.257
   53    H8     G   5           H8         G   5  -2.925  -5.983   3.190
   54    H1     G   5           H1         G   5  -4.999  -0.602   5.991
   55   1H2     G   5          1H2         G   5  -8.143  -1.944   5.545
   56   2H2     G   5          2H2         G   5  -7.181  -0.607   6.135
   57   1H5*    C   6          H5*         C   6  -8.931  -5.163   0.707
   58   2H5*    C   6          2H5*        C   6  -9.412  -5.036  -0.997
   59    H4*    C   6           H4*        C   6 -10.766  -3.482  -0.003
   60    H3*    C   6           H3*        C   6  -8.382  -2.163  -1.195
   61    H2*    C   6          1H2*        C   6  -8.903  -0.048  -0.195
   62   2HO*    C   6          2HO*        C   6 -11.356  -0.874  -0.456
   63    H1*    C   6           H1*        C   6  -9.544  -0.990   2.326
   64   1H4     C   6          1H4         C   6  -2.988  -1.646   2.087
   65   2H4     C   6          2H4         C   6  -3.300  -0.199   3.012
   66    H5     C   6           H5         C   6  -4.718  -2.913   0.991
   67    H6     C   6           H6         C   6  -7.113  -3.075   0.578
   68   1H5*    A   7          H5*         A   7  -7.811   0.818  -3.732
   69   2H5*    A   7          2H5*        A   7  -7.850  -0.024  -2.171
   70    H4*    A   7           H4*        A   7  -9.727   2.207  -2.375
   71    H3*    A   7           H3*        A   7  -6.876   2.758  -2.998
   72    H2*    A   7          1H2*        A   7  -6.691   4.445  -1.302
   73   2HO*    A   7          2HO*        A   7  -9.311   4.669  -1.791
   74    H1*    A   7           H1*        A   7  -7.976   3.083   0.720
   75    H8     A   7           H8         A   7  -6.485   0.173  -0.813
   76   1H6     A   7          1H6         A   7  -1.917   0.520   0.795
   77   2H6     A   7          2H6         A   7  -1.004   1.816   1.543
   78    H2     A   7           H2         A   7  -3.758   5.337   1.848
   79   1H5*    G   8          H5*         G   8  -7.800   6.153  -2.293
   80   2H5*    G   8          2H5*        G   8  -8.038   7.185  -3.717
   81    H4*    G   8           H4*        G   8  -6.772   8.469  -2.252
   82    H3*    G   8           H3*        G   8  -5.151   7.351  -4.487
   83    H2*    G   8          1H2*        G   8  -3.102   8.135  -3.520
   84   2HO*    G   8          2HO*        G   8  -4.634  10.024  -2.575
   85    H1*    G   8           H1*        G   8  -3.587   7.304  -0.940
   86    H8     G   8           H8         G   8  -5.341   4.724  -2.834
   87    H1     G   8           H1         G   8   1.018   4.107  -3.298
   88   1H2     G   8          1H2         G   8   1.112   7.302  -1.969
   89   2H2     G   8          2H2         G   8   2.021   5.932  -2.567
   90   1H5*    G   9          H5*         G   9  -3.363  10.648  -4.474
   91   2H5*    G   9          2H5*        G   9  -3.437  11.523  -6.015
   92    H4*    G   9           H4*        G   9  -1.156  11.197  -5.487
   93    H3*    G   9           H3*        G   9  -2.012   9.299  -7.678
   94    H2*    G   9          1H2*        G   9   0.324   8.686  -7.831
   95   2HO*    G   9          2HO*        G   9   0.605  11.136  -6.625
   96    H1*    G   9           H1*        G   9   0.644   8.532  -5.031
   97    H8     G   9           H8         G   9  -2.625   6.986  -5.507
   98    H1     G   9           H1         G   9   2.115   3.320  -7.803
   99   1H2     G   9          1H2         G   9   4.069   6.136  -7.402
  100   2H2     G   9          2H2         G   9   3.984   4.462  -7.895
  101   1H5*    C  10          H5*         C  10   1.460  11.208  -8.358
  102   2H5*    C  10          2H5*        C  10   1.380  12.218  -9.815
  103    H4*    C  10           H4*        C  10   3.523  11.299  -9.809
  104    H3*    C  10           H3*        C  10   1.758   9.857 -11.763
  105    H2*    C  10          1H2*        C  10   3.625   8.442 -12.331
  106   2HO*    C  10          2HO*        C  10   5.005  10.588 -11.473
  107    H1*    C  10           H1*        C  10   4.438   8.012  -9.688
  108   1H4     C  10          1H4         C  10  -0.822   4.133 -10.627
  109   2H4     C  10          2H4         C  10   0.569   3.171 -11.047
  110    H5     C  10           H5         C  10  -0.661   6.489 -10.046
  111    H6     C  10           H6         C  10   0.864   8.376  -9.800
  112   1H5*    U  11          H5*         U  11   4.671   9.968 -13.728
  113   2H5*    U  11          2H5*        U  11   4.661  10.824 -15.282
  114    H4*    U  11           H4*        U  11   5.391   8.676 -15.796
  115    H3*    U  11           H3*        U  11   2.499   9.032 -16.497
  116    H2*    U  11          1H2*        U  11   2.334   6.748 -17.140
  117   2HO*    U  11          2HO*        U  11   4.023   5.656 -17.896
  118    H1*    U  11           H1*        U  11   4.154   5.730 -15.183
  119    H3     U  11           H3         U  11   0.258   3.608 -14.346
  120    H5     U  11           H5         U  11  -0.228   7.468 -12.718
  121    H6     U  11           H6         U  11   1.841   8.082 -13.778
  122   1H5*    U  12          H5*         U  12   3.654   9.319 -21.686
  123   2H5*    U  12          2H5*        U  12   2.189   8.326 -21.814
  124    H4*    U  12           H4*        U  12   3.727   7.162 -23.073
  125    H3*    U  12           H3*        U  12   2.776   5.757 -21.017
  126    H2*    U  12          1H2*        U  12   4.498   6.366 -19.418
  127   2HO*    U  12          2HO*        U  12   4.862   3.944 -20.697
  128    H1*    U  12           H1*        U  12   6.584   5.886 -21.617
  129    H3     U  12           H3         U  12   9.766   6.791 -18.589
  130    H5     U  12           H5         U  12   7.120  10.030 -18.219
  131    H6     U  12           H6         U  12   5.668   8.923 -19.785
  132   1H5*    C  13          H5*         C  13   3.781   2.164 -20.183
  133   2H5*    C  13          2H5*        C  13   2.988   1.314 -21.524
  134    H4*    C  13           H4*        C  13   2.276   0.518 -19.317
  135    H3*    C  13           H3*        C  13   0.615   0.690 -21.397
  136    H2*    C  13          1H2*        C  13  -0.111   2.983 -20.997
  137   2HO*    C  13          2HO*        C  13  -1.778   1.040 -19.839
  138    H1*    C  13           H1*        C  13  -0.389   2.250 -18.027
  139   1H4     C  13          1H4         C  13   0.139   8.828 -18.403
  140   2H4     C  13          2H4         C  13  -1.327   8.473 -17.517
  141    H5     C  13           H5         C  13   1.521   7.091 -19.384
  142    H6     C  13           H6         C  13   1.769   4.685 -19.697
  143   1H5*    G  14          H5*         G  14  -0.325  -2.799 -17.226
  144   2H5*    G  14          2H5*        G  14   0.519  -1.395 -17.901
  145    H4*    G  14           H4*        G  14   1.206  -4.189 -18.745
  146    H3*    G  14           H3*        G  14   2.077  -2.846 -16.206
  147    H2*    G  14          1H2*        G  14   4.318  -3.639 -16.568
  148   2HO*    G  14          2HO*        G  14   3.035  -5.570 -17.860
  149    H1*    G  14           H1*        G  14   4.398  -3.011 -19.284
  150    H8     G  14           H8         G  14   6.383  -1.587 -18.397
  151    H1     G  14           H1         G  14   2.255   2.473 -15.638
  152   1H2     G  14          1H2         G  14  -0.123   0.059 -16.382
  153   2H2     G  14          2H2         G  14   0.212   1.626 -15.680
  154   1H5*    G  15          H5*         G  15   4.018  -5.176 -15.286
  155   2H5*    G  15          2H5*        G  15   4.047  -5.551 -13.553
  156    H4*    G  15           H4*        G  15   5.937  -4.160 -14.294
  157    H3*    G  15           H3*        G  15   4.096  -3.118 -12.174
  158    H2*    G  15          1H2*        G  15   5.427  -1.109 -12.046
  159   2HO*    G  15          2HO*        G  15   7.272  -2.765 -13.223
  160    H1*    G  15           H1*        G  15   5.506  -0.685 -14.777
  161    H8     G  15           H8         G  15   2.250  -2.291 -14.363
  162    H1     G  15           H1         G  15   2.238   3.720 -12.175
  163   1H2     G  15          1H2         G  15   5.662   3.508 -12.441
  164   2H2     G  15          2H2         G  15   4.276   4.483 -12.013
  165   1H5*    C  16          H5*         C  16   8.175  -2.386 -10.610
  166   2H5*    C  16          2H5*        C  16   8.065  -2.827  -8.895
  167    H4*    C  16           H4*        C  16   8.962  -0.554  -9.323
  168    H3*    C  16           H3*        C  16   6.518  -0.872  -7.598
  169    H2*    C  16          1H2*        C  16   6.503   1.518  -7.280
  170   2HO*    C  16          2HO*        C  16   9.134   1.200  -7.851
  171    H1*    C  16           H1*        C  16   7.009   2.137  -9.967
  172   1H4     C  16          1H4         C  16   0.600   0.593  -9.712
  173   2H4     C  16          2H4         C  16   0.694   2.272  -9.230
  174    H5     C  16           H5         C  16   2.578  -0.769 -10.075
  175    H6     C  16           H6         C  16   5.017  -0.788 -10.037
  176   1H5*    C  17          H5*         C  17   8.566   2.308  -6.072
  177   2H5*    C  17          2H5*        C  17   9.402   1.576  -4.689
  178    H4*    C  17           H4*        C  17   8.800   3.632  -3.871
  179    H3*    C  17           H3*        C  17   6.685   1.668  -3.028
  180    H2*    C  17          1H2*        C  17   5.552   3.499  -1.901
  181   2HO*    C  17          2HO*        C  17   7.873   4.977  -2.680
  182    H1*    C  17           H1*        C  17   5.648   5.177  -4.088
  183   1H4     C  17          1H4         C  17   1.347   0.455  -5.795
  184   2H4     C  17          2H4         C  17   0.402   1.742  -5.079
  185    H5     C  17           H5         C  17   3.768   0.495  -5.860
  186    H6     C  17           H6         C  17   5.757   1.760  -5.240
  187   1H5*    U  18          H5*         U  18   7.777   4.365  -0.377
  188   2H5*    U  18          2H5*        U  18   7.932   3.931   1.335
  189    H4*    U  18           H4*        U  18   6.516   5.920   0.852
  190    H3*    U  18           H3*        U  18   6.159   4.150   2.867
  191    H2*    U  18          1H2*        U  18   4.391   2.815   2.022
  192   2HO*    U  18          2HO*        U  18   3.393   5.215   3.035
  193    H1*    U  18           H1*        U  18   3.143   5.084   0.443
  194    H3     U  18           H3         U  18   0.683   2.160  -1.835
  195    H5     U  18           H5         U  18   4.347   0.156  -1.417
  196    H6     U  18           H6         U  18   5.147   2.037  -0.165
  197   1H5*    U  19          H5*         U  19   4.118   5.967   6.572
  198   2H5*    U  19          2H5*        U  19   3.554   5.575   4.935
  199    H4*    U  19           H4*        U  19   2.958   8.090   6.490
  200    H3*    U  19           H3*        U  19   1.285   5.646   5.980
  201    H2*    U  19          1H2*        U  19  -0.640   7.057   5.687
  202   2HO*    U  19          2HO*        U  19  -0.725   9.057   6.509
  203    H1*    U  19           H1*        U  19   0.682   9.025   4.178
  204    H3     U  19           H3         U  19  -1.886   7.211   0.995
  205    H5     U  19           H5         U  19   0.926   4.207   1.801
  206    H6     U  19           H6         U  19   1.760   5.567   3.600
  207   1H5*    G  20          H5*         G  20  -0.813   8.180   8.000
  208   2H5*    G  20          2H5*        G  20  -1.411   7.582   9.559
  209    H4*    G  20           H4*        G  20  -3.187   8.658   8.354
  210    H3*    G  20           H3*        G  20  -3.438   5.726   8.835
  211    H2*    G  20          1H2*        G  20  -5.471   5.625   7.552
  212   2HO*    G  20          2HO*        G  20  -5.807   8.040   8.382
  213    H1*    G  20           H1*        G  20  -4.555   7.091   5.399
  214    H8     G  20           H8         G  20  -1.476   5.450   6.549
  215    H1     G  20           H1         G  20  -5.390   1.412   3.474
  216   1H2     G  20          1H2         G  20  -7.761   3.904   3.864
  217   2H2     G  20          2H2         G  20  -7.398   2.302   3.265
  218   1H5*    U  21          H5*         U  21  -6.822   6.395  10.183
  219   2H5*    U  21          2H5*        U  21  -7.312   5.509  11.639
  220    H4*    U  21           H4*        U  21  -8.430   4.588   9.737
  221    H3*    U  21           H3*        U  21  -6.353   2.798  10.967
  222    H2*    U  21          1H2*        U  21  -6.875   1.123   9.322
  223   2HO*    U  21          2HO*        U  21  -9.245   2.423   9.321
  224    H1*    U  21           H1*        U  21  -6.995   2.897   7.157
  225    H3     U  21           H3         U  21  -3.200   0.439   6.604
  226    H5     U  21           H5         U  21  -2.157   3.483   9.287
  227    H6     U  21           H6         U  21  -4.486   4.075   9.412
  228   1H5*    U  22          H5*         U  22  -9.968   0.586  10.110
  229   2H5*    U  22          2H5*        U  22 -10.531   0.048  11.705
  230    H4*    U  22           H4*        U  22 -10.901  -1.806  10.414
  231    H3*    U  22           H3*        U  22  -8.254  -2.119  11.785
  232    H2*    U  22          1H2*        U  22  -7.912  -4.211  10.645
  233   2HO*    U  22          2HO*        U  22 -10.547  -4.270  10.682
  234    H1*    U  22           H1*        U  22  -8.732  -3.305   8.140
  235    H3     U  22           H3         U  22  -4.260  -3.499   7.648
  236    H5     U  22           H5         U  22  -4.895  -0.024   9.918
  237    H6     U  22           H6         U  22  -7.204  -0.673  10.116
  238   1H5*    U  23          H5*         U  23  -9.761  -5.691  11.910
  239   2H5*    U  23          2H5*        U  23 -10.059  -6.261  13.564
  240    H4*    U  23           H4*        U  23  -8.950  -8.034  12.622
  241    H3*    U  23           H3*        U  23  -6.954  -6.355  14.106
  242    H2*    U  23          1H2*        U  23  -5.193  -7.821  13.375
  243   2HO*    U  23          2HO*        U  23  -5.635  -9.863  13.008
  244    H1*    U  23           H1*        U  23  -6.079  -8.036  10.731
  245    H3     U  23           H3         U  23  -2.497  -5.407  10.177
  246    H5     U  23           H5         U  23  -5.274  -2.897  12.083
  247    H6     U  23           H6         U  23  -6.712  -4.811  12.333
  248   1H5*    C  24          H5*         C  24  -6.631 -10.543  14.685
  249   2H5*    C  24          2H5*        C  24  -6.294 -10.997  16.368
  250    H4*    C  24           H4*        C  24  -4.828 -12.130  14.767
  251    H3*    C  24           H3*        C  24  -3.623 -10.365  16.863
  252    H2*    C  24          1H2*        C  24  -1.430 -10.741  15.960
  253   2HO*    C  24          2HO*        C  24  -1.158 -12.731  15.242
  254    H1*    C  24           H1*        C  24  -2.135 -10.440  13.284
  255   1H4     C  24          1H4         C  24  -2.050  -4.271  15.600
  256   2H4     C  24          2H4         C  24  -0.426  -4.588  15.022
  257    H5     C  24           H5         C  24  -3.763  -5.980  15.687
  258    H6     C  24           H6         C  24  -4.268  -8.322  15.232
  259   1H5*    C  25          H5*         C  25  -1.639 -14.252  16.736
  260   2H5*    C  25          2H5*        C  25  -1.138 -14.767  18.359
  261    H4*    C  25           H4*        C  25   0.726 -14.867  16.841
  262    H3*    C  25           H3*        C  25   0.904 -12.834  19.035
  263    H2*    C  25          1H2*        C  25   3.022 -12.083  18.185
  264   2HO*    C  25          2HO*        C  25   3.370 -14.513  17.509
  265    H1*    C  25           H1*        C  25   2.271 -12.052  15.498
  266   1H4     C  25          1H4         C  25  -0.486  -6.680  18.177
  267   2H4     C  25          2H4         C  25   0.905  -6.135  17.266
  268    H5     C  25           H5         C  25  -1.040  -9.019  18.454
  269    H6     C  25           H6         C  25  -0.384 -11.302  17.901
  270    H3T    C  25           H3T        C  25   1.093 -15.002  19.497
  Start of MODEL   18
    1   1H5*    G   1          H5*         G   1   6.627  -0.225  16.990
    2   2H5*    G   1          2H5*        G   1   8.105   0.415  17.731
    3    H4*    G   1           H4*        G   1   9.438  -1.088  16.304
    4    H3*    G   1           H3*        G   1   6.776  -1.970  15.249
    5    H2*    G   1          1H2*        G   1   7.530  -4.258  15.260
    6   2HO*    G   1          2HO*        G   1   9.856  -3.255  14.851
    7    H1*    G   1           H1*        G   1   8.520  -4.214  17.823
    8    H8     G   1           H8         G   1   5.843  -1.809  18.228
    9    H1     G   1           H1         G   1   3.526  -7.710  17.298
   10   1H2     G   1          1H2         G   1   6.744  -8.471  16.284
   11   2H2     G   1          2H2         G   1   5.107  -9.038  16.536
   12    H5T    G   1           H5T        G   1   7.929   1.766  16.099
   13   1H5*    G   2          H5*         G   2   9.584  -4.049  12.939
   14   2H5*    G   2          2H5*        G   2   9.289  -3.657  11.233
   15    H4*    G   2           H4*        G   2   9.540  -6.020  11.468
   16    H3*    G   2           H3*        G   2   6.781  -5.092  10.750
   17    H2*    G   2          1H2*        G   2   6.020  -7.385  10.774
   18   2HO*    G   2          2HO*        G   2   7.401  -8.999  10.540
   19    H1*    G   2           H1*        G   2   7.111  -7.991  13.224
   20    H8     G   2           H8         G   2   6.492  -4.478  13.843
   21    H1     G   2           H1         G   2   0.997  -7.733  13.410
   22   1H2     G   2          1H2         G   2   2.938 -10.240  12.008
   23   2H2     G   2          2H2         G   2   1.342  -9.707  12.485
   24   1H5*    A   3          H5*         A   3   7.473  -8.136   7.881
   25   2H5*    A   3          2H5*        A   3   7.633  -7.286   6.331
   26    H4*    A   3           H4*        A   3   6.295  -9.066   5.782
   27    H3*    A   3           H3*        A   3   4.568  -6.675   6.289
   28    H2*    A   3          1H2*        A   3   2.587  -8.034   5.957
   29   2HO*    A   3          2HO*        A   3   4.115  -9.474   4.460
   30    H1*    A   3           H1*        A   3   3.328  -9.962   7.746
   31    H8     A   3           H8         A   3   5.200  -7.140   9.157
   32   1H6     A   3          1H6         A   3   1.667  -4.850  11.569
   33   2H6     A   3          2H6         A   3  -0.082  -4.967  11.537
   34    H2     A   3           H2         A   3  -1.106  -8.185   8.599
   35   1H5*    A   4          H5*         A   4   3.154  -8.462   2.810
   36   2H5*    A   4          2H5*        A   4   2.550  -7.306   1.607
   37    H4*    A   4           H4*        A   4   0.880  -8.977   2.359
   38    H3*    A   4           H3*        A   4   0.329  -6.044   2.579
   39    H2*    A   4          1H2*        A   4  -1.767  -6.486   3.672
   40   2HO*    A   4          2HO*        A   4  -2.573  -8.624   3.813
   41    H1*    A   4           H1*        A   4  -0.815  -8.439   5.404
   42    H8     A   4           H8         A   4   2.090  -6.275   5.443
   43   1H6     A   4          1H6         A   4   0.579  -2.795   8.454
   44   2H6     A   4          2H6         A   4  -0.994  -2.320   9.059
   45    H2     A   4           H2         A   4  -3.959  -5.190   7.293
   46   1H5*    G   5          H5*         G   5  -3.171  -7.756   2.217
   47   2H5*    G   5          2H5*        G   5  -3.572  -7.654   0.492
   48    H4*    G   5           H4*        G   5  -5.614  -7.366   1.494
   49    H3*    G   5           H3*        G   5  -4.473  -4.665   0.857
   50    H2*    G   5          1H2*        G   5  -6.413  -3.636   1.854
   51   2HO*    G   5          2HO*        G   5  -7.545  -5.941   1.167
   52    H1*    G   5           H1*        G   5  -6.422  -5.236   4.130
   53    H8     G   5           H8         G   5  -2.830  -4.825   3.373
   54    H1     G   5           H1         G   5  -5.423   0.387   6.060
   55   1H2     G   5          1H2         G   5  -8.434  -1.139   5.341
   56   2H2     G   5          2H2         G   5  -7.617   0.250   6.027
   57   1H5*    C   6          H5*         C   6  -8.221  -4.742  -0.482
   58   2H5*    C   6          2H5*        C   6  -8.544  -4.160  -2.127
   59    H4*    C   6           H4*        C   6  -9.984  -2.951  -0.747
   60    H3*    C   6           H3*        C   6  -7.626  -1.312  -1.603
   61    H2*    C   6          1H2*        C   6  -8.427   0.537  -0.285
   62   2HO*    C   6          2HO*        C   6 -10.787  -0.760  -0.653
   63    H1*    C   6           H1*        C   6  -9.065  -0.969   1.970
   64   1H4     C   6          1H4         C   6  -2.494  -0.490   2.085
   65   2H4     C   6          2H4         C   6  -3.091   0.709   3.207
   66    H5     C   6           H5         C   6  -3.931  -1.815   0.668
   67    H6     C   6           H6         C   6  -6.247  -2.290   0.070
   68   1H5*    A   7          H5*         A   7 -10.691   0.855  -1.696
   69   2H5*    A   7          2H5*        A   7 -11.190   1.676  -3.188
   70    H4*    A   7           H4*        A   7 -11.235   3.328  -1.549
   71    H3*    A   7           H3*        A   7  -8.768   3.551  -3.240
   72    H2*    A   7          1H2*        A   7  -8.043   5.428  -1.911
   73   2HO*    A   7          2HO*        A   7  -9.915   6.539  -1.505
   74    H1*    A   7           H1*        A   7  -8.599   4.251   0.542
   75    H8     A   7           H8         A   7  -7.408   1.648  -1.940
   76   1H6     A   7          1H6         A   7  -2.661   1.915  -0.975
   77   2H6     A   7          2H6         A   7  -1.689   2.993   0.005
   78    H2     A   7           H2         A   7  -4.501   6.027   1.746
   79   1H5*    G   8          H5*         G   8  -6.923   5.531  -5.294
   80   2H5*    G   8          2H5*        G   8  -7.449   4.836  -3.750
   81    H4*    G   8           H4*        G   8  -7.351   7.577  -3.301
   82    H3*    G   8           H3*        G   8  -5.316   6.910  -5.321
   83    H2*    G   8          1H2*        G   8  -3.445   7.574  -4.012
   84   2HO*    G   8          2HO*        G   8  -5.096   9.369  -3.113
   85    H1*    G   8           H1*        G   8  -4.181   6.528  -1.586
   86    H8     G   8           H8         G   8  -5.694   3.998  -3.641
   87    H1     G   8           H1         G   8   0.696   3.674  -3.978
   88   1H2     G   8          1H2         G   8   0.629   6.809  -2.525
   89   2H2     G   8          2H2         G   8   1.599   5.504  -3.174
   90   1H5*    G   9          H5*         G   9  -3.607  10.003  -4.644
   91   2H5*    G   9          2H5*        G   9  -3.608  11.164  -5.986
   92    H4*    G   9           H4*        G   9  -1.366  10.827  -5.611
   93    H3*    G   9           H3*        G   9  -2.134   8.895  -7.802
   94    H2*    G   9          1H2*        G   9   0.227   8.349  -7.919
   95   2HO*    G   9          2HO*        G   9   0.466  10.797  -6.865
   96    H1*    G   9           H1*        G   9   0.458   8.069  -5.144
   97    H8     G   9           H8         G   9  -2.926   6.805  -6.036
   98    H1     G   9           H1         G   9   1.787   2.741  -7.583
   99   1H2     G   9          1H2         G   9   3.884   5.379  -6.831
  100   2H2     G   9          2H2         G   9   3.738   3.718  -7.359
  101   1H5*    C  10          H5*         C  10   1.279  10.821  -8.458
  102   2H5*    C  10          2H5*        C  10   1.208  11.854  -9.899
  103    H4*    C  10           H4*        C  10   3.354  10.980  -9.916
  104    H3*    C  10           H3*        C  10   1.611   9.505 -11.855
  105    H2*    C  10          1H2*        C  10   3.432   8.032 -12.378
  106   2HO*    C  10          2HO*        C  10   4.869  10.140 -11.928
  107    H1*    C  10           H1*        C  10   4.348   7.726  -9.740
  108   1H4     C  10          1H4         C  10  -0.806   3.643 -10.353
  109   2H4     C  10          2H4         C  10   0.619   2.693 -10.675
  110    H5     C  10           H5         C  10  -0.722   6.051  -9.996
  111    H6     C  10           H6         C  10   0.746   7.997  -9.902
  112   1H5*    U  11          H5*         U  11   4.365  10.134 -13.991
  113   2H5*    U  11          2H5*        U  11   4.331  10.969 -15.557
  114    H4*    U  11           H4*        U  11   5.028   8.808 -16.061
  115    H3*    U  11           H3*        U  11   2.122   9.172 -16.693
  116    H2*    U  11          1H2*        U  11   1.871   6.880 -17.175
  117   2HO*    U  11          2HO*        U  11   3.781   5.602 -17.644
  118    H1*    U  11           H1*        U  11   4.081   5.970 -15.494
  119    H3     U  11           H3         U  11   0.701   3.177 -14.367
  120    H5     U  11           H5         U  11  -0.270   6.859 -12.575
  121    H6     U  11           H6         U  11   1.546   7.848 -13.800
  122   1H5*    U  12          H5*         U  12   1.043   7.592 -20.527
  123   2H5*    U  12          2H5*        U  12   2.114   6.756 -19.386
  124    H4*    U  12           H4*        U  12   1.751   6.371 -22.230
  125    H3*    U  12           H3*        U  12   1.845   4.633 -20.235
  126    H2*    U  12          1H2*        U  12   4.086   5.070 -19.463
  127   2HO*    U  12          2HO*        U  12   3.953   3.014 -21.355
  128    H1*    U  12           H1*        U  12   5.103   5.152 -22.343
  129    H3     U  12           H3         U  12   9.121   6.092 -20.588
  130    H5     U  12           H5         U  12   6.609   9.000 -18.903
  131    H6     U  12           H6         U  12   4.745   7.871 -19.923
  132   1H5*    C  13          H5*         C  13   2.885   1.337 -20.020
  133   2H5*    C  13          2H5*        C  13   1.628   0.437 -20.891
  134    H4*    C  13           H4*        C  13   1.933  -0.147 -18.472
  135    H3*    C  13           H3*        C  13  -0.361  -0.352 -19.839
  136    H2*    C  13          1H2*        C  13  -1.174   1.891 -19.368
  137   2HO*    C  13          2HO*        C  13  -2.013   0.092 -17.331
  138    H1*    C  13           H1*        C  13  -0.259   1.459 -16.467
  139   1H4     C  13          1H4         C  13  -0.708   7.987 -17.331
  140   2H4     C  13          2H4         C  13  -1.689   7.587 -15.937
  141    H5     C  13           H5         C  13   0.378   6.306 -18.686
  142    H6     C  13           H6         C  13   0.774   3.918 -18.960
  143   1H5*    G  14          H5*         G  14   1.832  -2.012 -19.408
  144   2H5*    G  14          2H5*        G  14   1.449  -3.526 -20.249
  145    H4*    G  14           H4*        G  14   3.053  -4.698 -19.199
  146    H3*    G  14           H3*        G  14   2.544  -3.061 -16.728
  147    H2*    G  14          1H2*        G  14   4.782  -3.529 -15.995
  148   2HO*    G  14          2HO*        G  14   4.378  -5.763 -17.305
  149    H1*    G  14           H1*        G  14   5.976  -3.218 -18.527
  150    H8     G  14           H8         G  14   7.341  -1.188 -18.035
  151    H1     G  14           H1         G  14   2.411   1.801 -15.223
  152   1H2     G  14          1H2         G  14   0.658  -1.100 -15.952
  153   2H2     G  14          2H2         G  14   0.627   0.495 -15.235
  154   1H5*    G  15          H5*         G  15   4.164  -5.812 -14.800
  155   2H5*    G  15          2H5*        G  15   3.635  -5.769 -13.107
  156    H4*    G  15           H4*        G  15   5.885  -4.667 -13.862
  157    H3*    G  15           H3*        G  15   3.987  -3.669 -11.775
  158    H2*    G  15          1H2*        G  15   5.327  -1.682 -11.500
  159   2HO*    G  15          2HO*        G  15   7.327  -3.048 -11.983
  160    H1*    G  15           H1*        G  15   5.537  -1.119 -14.191
  161    H8     G  15           H8         G  15   2.256  -2.822 -13.852
  162    H1     G  15           H1         G  15   2.126   3.287 -11.955
  163   1H2     G  15          1H2         G  15   5.555   3.111 -12.173
  164   2H2     G  15          2H2         G  15   4.154   4.093 -11.816
  165   1H5*    C  16          H5*         C  16   7.986  -2.910 -10.125
  166   2H5*    C  16          2H5*        C  16   7.858  -3.427  -8.433
  167    H4*    C  16           H4*        C  16   8.694  -1.131  -8.679
  168    H3*    C  16           H3*        C  16   6.111  -1.530  -7.185
  169    H2*    C  16          1H2*        C  16   6.057   0.844  -6.777
  170   2HO*    C  16          2HO*        C  16   8.458   0.870  -6.498
  171    H1*    C  16           H1*        C  16   6.793   1.561  -9.388
  172   1H4     C  16          1H4         C  16   0.375   0.047  -9.683
  173   2H4     C  16          2H4         C  16   0.451   1.732  -9.221
  174    H5     C  16           H5         C  16   2.366  -1.341  -9.856
  175    H6     C  16           H6         C  16   4.793  -1.380  -9.615
  176   1H5*    C  17          H5*         C  17   8.897   1.161  -4.741
  177   2H5*    C  17          2H5*        C  17   8.797   0.347  -3.168
  178    H4*    C  17           H4*        C  17   8.579   2.729  -2.901
  179    H3*    C  17           H3*        C  17   6.111   1.141  -2.242
  180    H2*    C  17          1H2*        C  17   5.039   3.215  -1.611
  181   2HO*    C  17          2HO*        C  17   7.611   3.999  -1.373
  182    H1*    C  17           H1*        C  17   5.711   4.512  -3.946
  183   1H4     C  17          1H4         C  17   1.374  -0.083  -5.892
  184   2H4     C  17          2H4         C  17   0.429   1.349  -5.560
  185    H5     C  17           H5         C  17   3.744  -0.228  -5.444
  186    H6     C  17           H6         C  17   5.687   0.966  -4.585
  187   1H5*    U  18          H5*         U  18   7.664   4.470   0.294
  188   2H5*    U  18          2H5*        U  18   8.282   3.417   1.582
  189    H4*    U  18           H4*        U  18   7.793   5.009   3.016
  190    H3*    U  18           H3*        U  18   5.534   3.630   3.093
  191    H2*    U  18          1H2*        U  18   4.355   4.682   1.298
  192   2HO*    U  18          2HO*        U  18   3.901   6.305   3.610
  193    H1*    U  18           H1*        U  18   5.278   7.451   2.170
  194    H3     U  18           H3         U  18   4.438   9.446  -1.708
  195    H5     U  18           H5         U  18   4.352   5.376  -2.720
  196    H6     U  18           H6         U  18   5.029   4.871  -0.484
  197   1H5*    U  19          H5*         U  19   4.586   7.358   5.950
  198   2H5*    U  19          2H5*        U  19   3.383   6.821   7.138
  199    H4*    U  19           H4*        U  19   2.935   8.925   5.699
  200    H3*    U  19           H3*        U  19   0.925   6.818   6.401
  201    H2*    U  19          1H2*        U  19  -0.708   7.869   4.997
  202   2HO*    U  19          2HO*        U  19   0.682  10.041   5.683
  203    H1*    U  19           H1*        U  19   1.044   8.545   2.900
  204    H3     U  19           H3         U  19  -1.596   5.400   1.035
  205    H5     U  19           H5         U  19   1.005   3.229   3.509
  206    H6     U  19           H6         U  19   1.816   5.325   4.372
  207   1H5*    G  20          H5*         G  20  -1.787   9.734   6.522
  208   2H5*    G  20          2H5*        G  20  -1.944  10.064   8.258
  209    H4*    G  20           H4*        G  20  -4.128   9.910   7.709
  210    H3*    G  20           H3*        G  20  -3.272   7.169   8.524
  211    H2*    G  20          1H2*        G  20  -5.379   6.238   7.828
  212   2HO*    G  20          2HO*        G  20  -6.293   8.586   8.462
  213    H1*    G  20           H1*        G  20  -5.505   7.523   5.386
  214    H8     G  20           H8         G  20  -1.897   6.869   6.310
  215    H1     G  20           H1         G  20  -4.843   1.981   3.382
  216   1H2     G  20          1H2         G  20  -7.718   3.828   3.870
  217   2H2     G  20          2H2         G  20  -6.992   2.363   3.243
  218   1H5*    U  21          H5*         U  21  -6.677   7.318  10.590
  219   2H5*    U  21          2H5*        U  21  -6.602   6.511  12.168
  220    H4*    U  21           H4*        U  21  -8.049   5.302  10.664
  221    H3*    U  21           H3*        U  21  -5.536   3.903  11.515
  222    H2*    U  21          1H2*        U  21  -6.124   2.017  10.147
  223   2HO*    U  21          2HO*        U  21  -8.276   1.744  10.368
  224    H1*    U  21           H1*        U  21  -6.931   3.502   7.926
  225    H3     U  21           H3         U  21  -2.967   1.692   6.700
  226    H5     U  21           H5         U  21  -1.932   4.954   9.123
  227    H6     U  21           H6         U  21  -4.265   5.204   9.654
  228   1H5*    U  22          H5*         U  22  -9.246   1.329  11.947
  229   2H5*    U  22          2H5*        U  22  -8.959   0.277  13.347
  230    H4*    U  22           H4*        U  22  -9.685  -0.909  11.290
  231    H3*    U  22           H3*        U  22  -7.068  -1.673  12.571
  232    H2*    U  22          1H2*        U  22  -6.856  -3.400  10.895
  233   2HO*    U  22          2HO*        U  22  -9.548  -3.123  10.845
  234    H1*    U  22           H1*        U  22  -7.614  -1.746   8.765
  235    H3     U  22           H3         U  22  -3.138  -2.499   8.345
  236    H5     U  22           H5         U  22  -3.479   0.673  11.075
  237    H6     U  22           H6         U  22  -5.852   0.273  11.127
  238   1H5*    U  23          H5*         U  23  -9.096  -4.830  11.320
  239   2H5*    U  23          2H5*        U  23  -9.616  -5.871  12.660
  240    H4*    U  23           H4*        U  23  -8.979  -7.394  11.068
  241    H3*    U  23           H3*        U  23  -6.647  -6.980  12.921
  242    H2*    U  23          1H2*        U  23  -5.400  -8.581  11.604
  243   2HO*    U  23          2HO*        U  23  -7.672  -9.656  11.148
  244    H1*    U  23           H1*        U  23  -6.084  -7.449   9.159
  245    H3     U  23           H3         U  23  -1.863  -5.973   9.728
  246    H5     U  23           H5         U  23  -4.128  -3.598  12.339
  247    H6     U  23           H6         U  23  -6.026  -4.991  11.838
  248   1H5*    C  24          H5*         C  24  -6.823 -10.836  12.449
  249   2H5*    C  24          2H5*        C  24  -6.463 -11.819  13.881
  250    H4*    C  24           H4*        C  24  -4.876 -12.259  12.115
  251    H3*    C  24           H3*        C  24  -3.724 -10.903  14.548
  252    H2*    C  24          1H2*        C  24  -1.555 -11.105  13.498
  253   2HO*    C  24          2HO*        C  24  -1.283 -12.321  11.622
  254    H1*    C  24           H1*        C  24  -2.451 -10.220  10.996
  255   1H4     C  24          1H4         C  24  -1.933  -4.729  14.604
  256   2H4     C  24          2H4         C  24  -0.316  -5.060  14.013
  257    H5     C  24           H5         C  24  -3.770  -6.291  14.290
  258    H6     C  24           H6         C  24  -4.412  -8.448  13.346
  259   1H5*    C  25          H5*         C  25  -1.095 -13.703  13.448
  260   2H5*    C  25          2H5*        C  25  -1.120 -14.992  14.668
  261    H4*    C  25           H4*        C  25   1.126 -14.732  14.138
  262    H3*    C  25           H3*        C  25   0.485 -13.355  16.723
  263    H2*    C  25          1H2*        C  25   2.752 -12.575  16.877
  264   2HO*    C  25          2HO*        C  25   4.346 -13.340  15.445
  265    H1*    C  25           H1*        C  25   2.973 -11.797  14.205
  266   1H4     C  25          1H4         C  25  -0.611  -7.003  16.964
  267   2H4     C  25          2H4         C  25   1.060  -6.520  17.150
  268    H5     C  25           H5         C  25  -1.254  -9.175  16.090
  269    H6     C  25           H6         C  25  -0.425 -11.295  15.214
  270    H3T    C  25           H3T        C  25   0.622 -15.676  16.355
  Start of MODEL   19
    1   1H5*    G   1          H5*         G   1   8.892  -0.296  13.484
    2   2H5*    G   1          2H5*        G   1  10.399  -0.748  14.300
    3    H4*    G   1           H4*        G   1  10.912  -2.093  12.177
    4    H3*    G   1           H3*        G   1   8.009  -1.510  11.675
    5    H2*    G   1          1H2*        G   1   7.686  -3.792  10.992
    6   2HO*    G   1          2HO*        G   1   9.294  -4.856  10.122
    7    H1*    G   1           H1*        G   1   9.196  -4.923  13.060
    8    H8     G   1           H8         G   1   7.104  -1.876  14.014
    9    H1     G   1           H1         G   1   4.153  -7.532  14.646
   10   1H2     G   1          1H2         G   1   6.966  -8.813  13.083
   11   2H2     G   1          2H2         G   1   5.410  -9.146  13.812
   12    H5T    G   1           H5T        G   1   9.998   1.054  12.342
   13   1H5*    G   2          H5*         G   2   9.538  -3.881   8.643
   14   2H5*    G   2          2H5*        G   2   8.892  -3.422   7.056
   15    H4*    G   2           H4*        G   2   8.483  -5.756   7.490
   16    H3*    G   2           H3*        G   2   5.989  -4.056   7.448
   17    H2*    G   2          1H2*        G   2   4.740  -6.104   7.690
   18   2HO*    G   2          2HO*        G   2   5.592  -7.790   6.725
   19    H1*    G   2           H1*        G   2   6.440  -7.156   9.669
   20    H8     G   2           H8         G   2   5.910  -3.444  10.096
   21    H1     G   2           H1         G   2   1.290  -7.080  12.659
   22   1H2     G   2          1H2         G   2   2.843  -9.687  11.001
   23   2H2     G   2          2H2         G   2   1.538  -9.173  12.046
   24   1H5*    A   3          H5*         A   3   5.822  -7.187   4.975
   25   2H5*    A   3          2H5*        A   3   5.054  -7.011   3.385
   26    H4*    A   3           H4*        A   3   4.080  -8.875   4.489
   27    H3*    A   3           H3*        A   3   2.223  -6.508   4.336
   28    H2*    A   3          1H2*        A   3   0.537  -7.876   5.374
   29   2HO*    A   3          2HO*        A   3   0.602  -9.937   4.858
   30    H1*    A   3           H1*        A   3   2.263  -8.947   7.306
   31    H8     A   3           H8         A   3   3.254  -5.378   6.953
   32   1H6     A   3          1H6         A   3   0.027  -3.386   9.969
   33   2H6     A   3          2H6         A   3  -1.451  -3.960  10.715
   34    H2     A   3           H2         A   3  -1.932  -8.237   9.435
   35   1H5*    A   4          H5*         A   4   0.369  -9.931   2.847
   36   2H5*    A   4          2H5*        A   4  -0.012  -9.697   1.129
   37    H4*    A   4           H4*        A   4  -1.879 -10.778   1.901
   38    H3*    A   4           H3*        A   4  -2.371  -7.840   1.789
   39    H2*    A   4          1H2*        A   4  -4.496  -8.066   2.895
   40   2HO*    A   4          2HO*        A   4  -4.461 -10.443   1.784
   41    H1*    A   4           H1*        A   4  -3.626  -9.699   4.930
   42    H8     A   4           H8         A   4  -0.690  -7.535   3.947
   43   1H6     A   4          1H6         A   4  -1.573  -3.790   6.913
   44   2H6     A   4          2H6         A   4  -2.943  -3.338   7.899
   45    H2     A   4           H2         A   4  -6.034  -6.542   7.357
   46   1H5*    G   5          H5*         G   5  -5.689  -9.015   0.969
   47   2H5*    G   5          2H5*        G   5  -6.419  -8.562  -0.583
   48    H4*    G   5           H4*        G   5  -7.962  -7.872   1.006
   49    H3*    G   5           H3*        G   5  -6.319  -5.477   0.189
   50    H2*    G   5          1H2*        G   5  -7.748  -4.162   1.623
   51   2HO*    G   5          2HO*        G   5  -9.508  -6.023   1.012
   52    H1*    G   5           H1*        G   5  -7.725  -6.048   3.722
   53    H8     G   5           H8         G   5  -4.268  -5.967   2.421
   54    H1     G   5           H1         G   5  -5.737  -0.833   5.972
   55   1H2     G   5          1H2         G   5  -8.990  -1.922   5.653
   56   2H2     G   5          2H2         G   5  -7.894  -0.722   6.301
   57   1H5*    C   6          H5*         C   6 -10.354  -4.327   0.202
   58   2H5*    C   6          2H5*        C   6 -10.736  -3.911  -1.480
   59    H4*    C   6           H4*        C   6 -11.742  -2.212  -0.315
   60    H3*    C   6           H3*        C   6  -9.047  -1.277  -1.235
   61    H2*    C   6          1H2*        C   6  -9.396   0.826  -0.103
   62   2HO*    C   6          2HO*        C   6 -11.360   1.496   0.430
   63    H1*    C   6           H1*        C   6 -10.229  -0.295   2.280
   64   1H4     C   6          1H4         C   6  -3.788  -1.692   1.939
   65   2H4     C   6          2H4         C   6  -3.924  -0.296   2.982
   66    H5     C   6           H5         C   6  -5.656  -2.671   0.785
   67    H6     C   6           H6         C   6  -8.054  -2.516   0.383
   68   1H5*    A   7          H5*         A   7 -11.387   1.737  -1.634
   69   2H5*    A   7          2H5*        A   7 -11.131   2.801  -3.030
   70    H4*    A   7           H4*        A   7 -10.789   3.974  -0.930
   71    H3*    A   7           H3*        A   7  -8.343   3.674  -2.670
   72    H2*    A   7          1H2*        A   7  -7.166   5.025  -1.056
   73   2HO*    A   7          2HO*        A   7  -9.455   6.157  -0.708
   74    H1*    A   7           H1*        A   7  -8.264   3.713   1.174
   75    H8     A   7           H8         A   7  -7.555   0.837  -0.910
   76   1H6     A   7          1H6         A   7  -2.723   0.513  -0.376
   77   2H6     A   7          2H6         A   7  -1.517   1.620   0.248
   78    H2     A   7           H2         A   7  -3.663   5.346   1.488
   79   1H5*    G   8          H5*         G   8  -6.529   5.776  -2.660
   80   2H5*    G   8          2H5*        G   8  -7.632   6.795  -1.714
   81    H4*    G   8           H4*        G   8  -6.548   8.790  -2.552
   82    H3*    G   8           H3*        G   8  -4.939   6.934  -4.262
   83    H2*    G   8          1H2*        G   8  -2.963   8.245  -3.849
   84   2HO*    G   8          2HO*        G   8  -3.050  10.264  -3.039
   85    H1*    G   8           H1*        G   8  -3.270   8.382  -1.123
   86    H8     G   8           H8         G   8  -4.813   5.143  -1.885
   87    H1     G   8           H1         G   8   1.567   5.004  -2.510
   88   1H2     G   8          1H2         G   8   1.345   8.443  -2.307
   89   2H2     G   8          2H2         G   8   2.377   7.041  -2.483
   90   1H5*    G   9          H5*         G   9  -3.522  10.621  -4.724
   91   2H5*    G   9          2H5*        G   9  -3.930  11.199  -6.351
   92    H4*    G   9           H4*        G   9  -1.754  11.939  -5.963
   93    H3*    G   9           H3*        G   9  -1.790   9.533  -7.756
   94    H2*    G   9          1H2*        G   9   0.626   9.616  -7.866
   95   2HO*    G   9          2HO*        G   9   0.203  12.177  -7.266
   96    H1*    G   9           H1*        G   9   0.982   9.802  -5.138
   97    H8     G   9           H8         G   9  -2.192   7.895  -5.582
   98    H1     G   9           H1         G   9   3.054   4.349  -6.567
   99   1H2     G   9          1H2         G   9   4.739   7.361  -6.495
  100   2H2     G   9          2H2         G   9   4.838   5.625  -6.677
  101   1H5*    C  10          H5*         C  10   1.109  11.870  -8.933
  102   2H5*    C  10          2H5*        C  10   0.749  12.588 -10.515
  103    H4*    C  10           H4*        C  10   2.990  12.026 -10.643
  104    H3*    C  10           H3*        C  10   1.348   9.916 -12.012
  105    H2*    C  10          1H2*        C  10   3.386   8.741 -12.537
  106   2HO*    C  10          2HO*        C  10   5.232   9.795 -12.671
  107    H1*    C  10           H1*        C  10   4.487   8.999  -9.984
  108   1H4     C  10          1H4         C  10  -0.179   4.313  -9.645
  109   2H4     C  10          2H4         C  10   1.348   3.499  -9.828
  110    H5     C  10           H5         C  10  -0.371   6.744  -9.676
  111    H6     C  10           H6         C  10   0.857   8.830  -9.963
  112   1H5*    U  11          H5*         U  11   3.897  10.179 -14.420
  113   2H5*    U  11          2H5*        U  11   3.552  10.700 -16.080
  114    H4*    U  11           H4*        U  11   4.621   8.666 -16.354
  115    H3*    U  11           H3*        U  11   1.649   8.253 -16.538
  116    H2*    U  11          1H2*        U  11   2.024   5.914 -16.869
  117   2HO*    U  11          2HO*        U  11   4.187   5.141 -17.176
  118    H1*    U  11           H1*        U  11   4.142   5.707 -14.998
  119    H3     U  11           H3         U  11   0.735   3.171 -13.391
  120    H5     U  11           H5         U  11  -0.192   7.128 -12.284
  121    H6     U  11           H6         U  11   1.630   7.857 -13.673
  122   1H5*    U  12          H5*         U  12   1.581   7.590 -21.788
  123   2H5*    U  12          2H5*        U  12   0.461   6.320 -21.255
  124    H4*    U  12           H4*        U  12   1.903   5.234 -22.705
  125    H3*    U  12           H3*        U  12   1.837   4.209 -20.247
  126    H2*    U  12          1H2*        U  12   3.676   5.475 -19.315
  127   2HO*    U  12          2HO*        U  12   4.340   2.958 -20.246
  128    H1*    U  12           H1*        U  12   5.270   4.959 -21.882
  129    H3     U  12           H3         U  12   8.651   7.229 -20.004
  130    H5     U  12           H5         U  12   5.373   9.814 -19.561
  131    H6     U  12           H6         U  12   3.980   8.075 -20.465
  132   1H5*    C  13          H5*         C  13   4.056   1.056 -19.306
  133   2H5*    C  13          2H5*        C  13   3.108  -0.182 -20.153
  134    H4*    C  13           H4*        C  13   3.417  -0.586 -17.722
  135    H3*    C  13           H3*        C  13   1.268  -1.337 -19.092
  136    H2*    C  13          1H2*        C  13   0.004   0.720 -18.867
  137   2HO*    C  13          2HO*        C  13  -1.373   0.319 -16.882
  138    H1*    C  13           H1*        C  13   0.772   0.811 -15.903
  139   1H4     C  13          1H4         C  13  -0.600   6.994 -17.771
  140   2H4     C  13          2H4         C  13  -1.638   6.620 -16.415
  141    H5     C  13           H5         C  13   0.889   5.354 -18.759
  142    H6     C  13           H6         C  13   1.677   3.051 -18.641
  143   1H5*    G  14          H5*         G  14   3.380  -2.595 -18.318
  144   2H5*    G  14          2H5*        G  14   3.535  -4.178 -19.103
  145    H4*    G  14           H4*        G  14   5.077  -4.935 -17.628
  146    H3*    G  14           H3*        G  14   3.802  -3.229 -15.505
  147    H2*    G  14          1H2*        G  14   5.907  -3.117 -14.366
  148   2HO*    G  14          2HO*        G  14   6.185  -5.523 -15.441
  149    H1*    G  14           H1*        G  14   7.491  -2.913 -16.711
  150    H8     G  14           H8         G  14   8.419  -0.607 -16.505
  151    H1     G  14           H1         G  14   2.865   1.750 -14.324
  152   1H2     G  14          1H2         G  14   1.697  -1.493 -14.753
  153   2H2     G  14          2H2         G  14   1.337   0.145 -14.254
  154   1H5*    G  15          H5*         G  15   5.638  -5.372 -11.978
  155   2H5*    G  15          2H5*        G  15   4.559  -4.338 -11.022
  156    H4*    G  15           H4*        G  15   7.208  -3.828 -11.979
  157    H3*    G  15           H3*        G  15   5.357  -2.537 -10.023
  158    H2*    G  15          1H2*        G  15   6.542  -0.450 -10.204
  159   2HO*    G  15          2HO*        G  15   8.593  -1.921 -10.668
  160    H1*    G  15           H1*        G  15   6.614  -0.379 -12.950
  161    H8     G  15           H8         G  15   3.507  -2.251 -12.289
  162    H1     G  15           H1         G  15   2.884   4.021 -11.180
  163   1H2     G  15          1H2         G  15   6.315   4.102 -11.423
  164   2H2     G  15          2H2         G  15   4.834   4.998 -11.177
  165   1H5*    C  16          H5*         C  16   9.349  -1.229  -8.791
  166   2H5*    C  16          2H5*        C  16   9.348  -1.411  -7.026
  167    H4*    C  16           H4*        C  16   9.983   0.846  -7.820
  168    H3*    C  16           H3*        C  16   7.622   0.558  -5.975
  169    H2*    C  16          1H2*        C  16   7.391   2.961  -6.011
  170   2HO*    C  16          2HO*        C  16  10.023   2.789  -6.629
  171    H1*    C  16           H1*        C  16   7.774   3.205  -8.779
  172   1H4     C  16          1H4         C  16   1.534   1.189  -8.210
  173   2H4     C  16          2H4         C  16   1.485   2.923  -7.972
  174    H5     C  16           H5         C  16   3.619  -0.042  -8.378
  175    H6     C  16           H6         C  16   6.050   0.149  -8.371
  176   1H5*    C  17          H5*         C  17   9.461   4.001  -5.154
  177   2H5*    C  17          2H5*        C  17  10.404   3.689  -3.684
  178    H4*    C  17           H4*        C  17   9.660   5.845  -3.384
  179    H3*    C  17           H3*        C  17   7.852   3.979  -1.883
  180    H2*    C  17          1H2*        C  17   6.517   5.865  -1.196
  181   2HO*    C  17          2HO*        C  17   8.525   7.441  -2.487
  182    H1*    C  17           H1*        C  17   6.370   7.013  -3.718
  183   1H4     C  17          1H4         C  17   2.435   1.715  -4.063
  184   2H4     C  17          2H4         C  17   1.394   3.084  -3.755
  185    H5     C  17           H5         C  17   4.851   1.885  -4.108
  186    H6     C  17           H6         C  17   6.748   3.400  -3.879
  187   1H5*    U  18          H5*         U  18   9.066   6.264   1.695
  188   2H5*    U  18          2H5*        U  18   9.946   5.016   2.595
  189    H4*    U  18           H4*        U  18   8.278   4.676   4.071
  190    H3*    U  18           H3*        U  18   6.472   4.218   2.217
  191    H2*    U  18          1H2*        U  18   6.116   6.409   1.324
  192   2HO*    U  18          2HO*        U  18   4.579   6.667   3.715
  193    H1*    U  18           H1*        U  18   6.226   7.844   3.969
  194    H3     U  18           H3         U  18   7.853  11.660   2.380
  195    H5     U  18           H5         U  18   8.494   8.994  -0.796
  196    H6     U  18           H6         U  18   7.676   7.226   0.615
  197   1H5*    U  19          H5*         U  19   4.978   5.742   5.716
  198   2H5*    U  19          2H5*        U  19   4.049   4.791   6.890
  199    H4*    U  19           H4*        U  19   3.486   7.115   7.088
  200    H3*    U  19           H3*        U  19   1.317   5.312   6.072
  201    H2*    U  19          1H2*        U  19  -0.157   7.202   5.872
  202   2HO*    U  19          2HO*        U  19   0.266   9.124   6.860
  203    H1*    U  19           H1*        U  19   1.711   8.900   4.688
  204    H3     U  19           H3         U  19  -1.386   7.444   1.598
  205    H5     U  19           H5         U  19   1.833   4.758   1.437
  206    H6     U  19           H6         U  19   2.705   5.804   3.421
  207   1H5*    G  20          H5*         G  20  -0.680   7.851   7.916
  208   2H5*    G  20          2H5*        G  20  -1.383   7.190   9.404
  209    H4*    G  20           H4*        G  20  -3.034   8.452   8.207
  210    H3*    G  20           H3*        G  20  -3.479   5.511   8.450
  211    H2*    G  20          1H2*        G  20  -5.472   5.655   7.101
  212   2HO*    G  20          2HO*        G  20  -5.582   8.075   8.066
  213    H1*    G  20           H1*        G  20  -4.348   7.158   5.085
  214    H8     G  20           H8         G  20  -1.401   5.311   6.206
  215    H1     G  20           H1         G  20  -5.493   1.588   2.964
  216   1H2     G  20          1H2         G  20  -7.730   4.185   3.440
  217   2H2     G  20          2H2         G  20  -7.448   2.589   2.781
  218   1H5*    U  21          H5*         U  21  -6.842   6.262  10.335
  219   2H5*    U  21          2H5*        U  21  -7.094   5.263  11.780
  220    H4*    U  21           H4*        U  21  -8.532   4.565   9.954
  221    H3*    U  21           H3*        U  21  -6.472   2.602  10.910
  222    H2*    U  21          1H2*        U  21  -7.209   1.033   9.249
  223   2HO*    U  21          2HO*        U  21  -9.508   2.418   9.535
  224    H1*    U  21           H1*        U  21  -7.473   2.900   7.173
  225    H3     U  21           H3         U  21  -3.890   0.174   6.275
  226    H5     U  21           H5         U  21  -2.396   3.337   8.575
  227    H6     U  21           H6         U  21  -4.669   4.016   8.992
  228   1H5*    U  22          H5*         U  22 -10.364   0.556  10.538
  229   2H5*    U  22          2H5*        U  22 -10.692   0.053  12.208
  230    H4*    U  22           H4*        U  22 -11.326  -1.795  11.013
  231    H3*    U  22           H3*        U  22  -8.517  -2.199  11.974
  232    H2*    U  22          1H2*        U  22  -8.425  -4.311  10.819
  233   2HO*    U  22          2HO*        U  22 -11.059  -4.213  11.193
  234    H1*    U  22           H1*        U  22  -9.539  -3.382   8.448
  235    H3     U  22           H3         U  22  -5.191  -3.649   7.334
  236    H5     U  22           H5         U  22  -5.413  -0.213   9.734
  237    H6     U  22           H6         U  22  -7.695  -0.799  10.224
  238   1H5*    U  23          H5*         U  23 -10.187  -5.733  12.669
  239   2H5*    U  23          2H5*        U  23 -10.041  -6.249  14.360
  240    H4*    U  23           H4*        U  23  -9.224  -8.040  13.131
  241    H3*    U  23           H3*        U  23  -6.929  -6.419  14.201
  242    H2*    U  23          1H2*        U  23  -5.410  -7.959  13.143
  243   2HO*    U  23          2HO*        U  23  -7.310  -9.681  13.591
  244    H1*    U  23           H1*        U  23  -6.838  -8.121  10.733
  245    H3     U  23           H3         U  23  -3.265  -5.733   9.468
  246    H5     U  23           H5         U  23  -5.442  -3.054  11.861
  247    H6     U  23           H6         U  23  -6.928  -4.870  12.399
  248   1H5*    C  24          H5*         C  24  -6.416 -10.563  14.958
  249   2H5*    C  24          2H5*        C  24  -5.714 -10.871  16.558
  250    H4*    C  24           H4*        C  24  -4.546 -12.000  14.684
  251    H3*    C  24           H3*        C  24  -3.038 -10.150  16.506
  252    H2*    C  24          1H2*        C  24  -1.040 -10.552  15.232
  253   2HO*    C  24          2HO*        C  24  -2.282 -12.874  14.751
  254    H1*    C  24           H1*        C  24  -2.271 -10.416  12.714
  255   1H4     C  24          1H4         C  24  -1.502  -4.110  14.437
  256   2H4     C  24          2H4         C  24   0.029  -4.588  13.735
  257    H5     C  24           H5         C  24  -3.291  -5.695  14.867
  258    H6     C  24           H6         C  24  -3.967  -8.033  14.697
  259   1H5*    C  25          H5*         C  25  -0.836 -14.008  16.001
  260   2H5*    C  25          2H5*        C  25  -0.469 -14.513  17.662
  261    H4*    C  25           H4*        C  25   1.491 -14.822  16.385
  262    H3*    C  25           H3*        C  25   1.637 -12.510  18.279
  263    H2*    C  25          1H2*        C  25   3.818 -11.930  17.459
  264   2HO*    C  25          2HO*        C  25   4.074 -14.465  17.095
  265    H1*    C  25           H1*        C  25   3.225 -12.228  14.756
  266   1H4     C  25          1H4         C  25   0.403  -6.539  16.591
  267   2H4     C  25          2H4         C  25   1.862  -6.125  15.721
  268    H5     C  25           H5         C  25  -0.219  -8.825  17.094
  269    H6     C  25           H6         C  25   0.428 -11.164  16.861
  270    H3T    C  25           H3T        C  25   1.746 -14.560  19.076
  Start of MODEL   20
    1   1H5*    G   1          H5*         G   1   5.597   0.634  15.088
    2   2H5*    G   1          2H5*        G   1   6.557   1.261  16.440
    3    H4*    G   1           H4*        G   1   8.517   0.147  15.015
    4    H3*    G   1           H3*        G   1   6.080  -1.280  14.050
    5    H2*    G   1          1H2*        G   1   7.105  -3.419  14.437
    6   2HO*    G   1          2HO*        G   1   9.306  -2.183  13.935
    7    H1*    G   1           H1*        G   1   7.977  -2.895  16.979
    8    H8     G   1           H8         G   1   5.069  -0.733  16.962
    9    H1     G   1           H1         G   1   3.358  -6.905  16.892
   10   1H2     G   1          1H2         G   1   6.671  -7.491  16.083
   11   2H2     G   1          2H2         G   1   5.087  -8.170  16.385
   12    H5T    G   1           H5T        G   1   7.778   2.440  15.035
   13   1H5*    G   2          H5*         G   2   8.943  -3.494  12.206
   14   2H5*    G   2          2H5*        G   2   8.919  -3.008  10.499
   15    H4*    G   2           H4*        G   2   9.114  -5.306  10.409
   16    H3*    G   2           H3*        G   2   6.268  -4.498   9.952
   17    H2*    G   2          1H2*        G   2   5.614  -6.823   9.852
   18   2HO*    G   2          2HO*        G   2   8.096  -7.164   9.069
   19    H1*    G   2           H1*        G   2   6.891  -7.558  12.169
   20    H8     G   2           H8         G   2   6.195  -4.088  13.022
   21    H1     G   2           H1         G   2   0.833  -7.587  12.899
   22   1H2     G   2          1H2         G   2   2.782  -9.952  11.282
   23   2H2     G   2          2H2         G   2   1.202  -9.526  11.897
   24   1H5*    A   3          H5*         A   3   6.998  -7.420   7.356
   25   2H5*    A   3          2H5*        A   3   7.060  -6.846   5.678
   26    H4*    A   3           H4*        A   3   5.893  -8.809   5.481
   27    H3*    A   3           H3*        A   3   3.948  -6.537   5.623
   28    H2*    A   3          1H2*        A   3   2.108  -8.113   5.568
   29   2HO*    A   3          2HO*        A   3   3.882  -9.657   4.379
   30    H1*    A   3           H1*        A   3   3.047  -9.638   7.633
   31    H8     A   3           H8         A   3   4.604  -6.355   8.353
   32   1H6     A   3          1H6         A   3   0.920  -4.132  10.573
   33   2H6     A   3          2H6         A   3  -0.787  -4.489  10.740
   34    H2     A   3           H2         A   3  -1.481  -8.378   8.611
   35   1H5*    A   4          H5*         A   4   2.869  -9.037   2.674
   36   2H5*    A   4          2H5*        A   4   2.400  -8.346   1.108
   37    H4*    A   4           H4*        A   4   0.675  -9.810   1.809
   38    H3*    A   4           H3*        A   4  -0.046  -6.906   1.928
   39    H2*    A   4          1H2*        A   4  -2.216  -7.477   2.820
   40   2HO*    A   4          2HO*        A   4  -2.942  -9.322   2.003
   41    H1*    A   4           H1*        A   4  -1.268  -9.202   4.753
   42    H8     A   4           H8         A   4   1.461  -6.695   4.376
   43   1H6     A   4          1H6         A   4  -0.213  -3.266   7.382
   44   2H6     A   4          2H6         A   4  -1.757  -3.004   8.160
   45    H2     A   4           H2         A   4  -4.413  -6.405   6.937
   46   1H5*    G   5          H5*         G   5  -3.147  -8.489   0.126
   47   2H5*    G   5          2H5*        G   5  -3.682  -7.715  -1.378
   48    H4*    G   5           H4*        G   5  -5.534  -7.732   0.069
   49    H3*    G   5           H3*        G   5  -4.309  -4.981  -0.073
   50    H2*    G   5          1H2*        G   5  -6.135  -4.230   1.338
   51   2HO*    G   5          2HO*        G   5  -7.338  -6.370   0.286
   52    H1*    G   5           H1*        G   5  -5.830  -6.312   3.163
   53    H8     G   5           H8         G   5  -2.359  -5.725   2.162
   54    H1     G   5           H1         G   5  -4.634  -1.014   5.866
   55   1H2     G   5          1H2         G   5  -7.727  -2.364   5.181
   56   2H2     G   5          2H2         G   5  -6.802  -1.114   5.987
   57   1H5*    C   6          H5*         C   6  -8.174  -4.335  -0.098
   58   2H5*    C   6          2H5*        C   6  -8.659  -3.799  -1.718
   59    H4*    C   6           H4*        C   6  -9.869  -2.410  -0.346
   60    H3*    C   6           H3*        C   6  -7.389  -0.977  -1.228
   61    H2*    C   6          1H2*        C   6  -7.993   0.912   0.145
   62   2HO*    C   6          2HO*        C   6 -10.418   0.119  -0.323
   63    H1*    C   6           H1*        C   6  -8.622  -0.572   2.401
   64   1H4     C   6          1H4         C   6  -2.041  -0.851   2.062
   65   2H4     C   6          2H4         C   6  -2.397   0.602   2.969
   66    H5     C   6           H5         C   6  -3.749  -2.201   1.013
   67    H6     C   6           H6         C   6  -6.143  -2.430   0.615
   68   1H5*    A   7          H5*         A   7 -10.403   1.679  -2.314
   69   2H5*    A   7          2H5*        A   7  -9.986   2.710  -3.697
   70    H4*    A   7           H4*        A   7 -10.215   3.931  -1.561
   71    H3*    A   7           H3*        A   7  -7.572   4.048  -3.005
   72    H2*    A   7          1H2*        A   7  -6.815   5.579  -1.301
   73   2HO*    A   7          2HO*        A   7  -9.393   6.159  -1.165
   74    H1*    A   7           H1*        A   7  -7.906   4.102   0.829
   75    H8     A   7           H8         A   7  -6.576   1.383  -1.176
   76   1H6     A   7          1H6         A   7  -1.838   1.722  -0.106
   77   2H6     A   7          2H6         A   7  -0.881   2.975   0.658
   78    H2     A   7           H2         A   7  -3.648   6.333   1.674
   79   1H5*    G   8          H5*         G   8  -7.743   7.550  -1.708
   80   2H5*    G   8          2H5*        G   8  -8.216   8.638  -3.027
   81    H4*    G   8           H4*        G   8  -6.557   9.833  -2.016
   82    H3*    G   8           H3*        G   8  -5.381   8.336  -4.319
   83    H2*    G   8          1H2*        G   8  -3.165   9.058  -3.712
   84   2HO*    G   8          2HO*        G   8  -4.398  11.146  -2.800
   85    H1*    G   8           H1*        G   8  -3.382   8.497  -1.017
   86    H8     G   8           H8         G   8  -5.520   5.992  -2.784
   87    H1     G   8           H1         G   8   0.726   4.533  -2.797
   88   1H2     G   8          1H2         G   8   1.162   7.766  -1.667
   89   2H2     G   8          2H2         G   8   1.915   6.253  -2.123
   90   1H5*    G   9          H5*         G   9  -3.649  11.695  -4.770
   91   2H5*    G   9          2H5*        G   9  -3.774  12.489  -6.351
   92    H4*    G   9           H4*        G   9  -1.488  12.230  -5.967
   93    H3*    G   9           H3*        G   9  -2.414  10.051  -7.841
   94    H2*    G   9          1H2*        G   9  -0.094   9.391  -8.002
   95   2HO*    G   9          2HO*        G   9   0.269  11.977  -7.284
   96    H1*    G   9           H1*        G   9   0.363   9.608  -5.233
   97    H8     G   9           H8         G   9  -2.993   8.122  -5.453
   98    H1     G   9           H1         G   9   1.639   3.985  -7.051
   99   1H2     G   9          1H2         G   9   3.676   6.765  -7.126
  100   2H2     G   9          2H2         G   9   3.543   5.036  -7.345
  101   1H5*    C  10          H5*         C  10   1.119  11.803  -8.828
  102   2H5*    C  10          2H5*        C  10   0.954  12.646 -10.381
  103    H4*    C  10           H4*        C  10   3.080  11.767 -10.476
  104    H3*    C  10           H3*        C  10   1.215   9.942 -11.958
  105    H2*    C  10          1H2*        C  10   3.083   8.490 -12.434
  106   2HO*    C  10          2HO*        C  10   4.446  10.767 -12.144
  107    H1*    C  10           H1*        C  10   4.086   8.509  -9.837
  108   1H4     C  10          1H4         C  10  -1.301   4.655  -9.808
  109   2H4     C  10          2H4         C  10   0.083   3.601  -9.933
  110    H5     C  10           H5         C  10  -1.091   7.084  -9.813
  111    H6     C  10           H6         C  10   0.475   8.944  -9.998
  112   1H5*    U  11          H5*         U  11   4.072   9.600 -14.112
  113   2H5*    U  11          2H5*        U  11   3.866  10.180 -15.776
  114    H4*    U  11           H4*        U  11   4.657   7.997 -15.984
  115    H3*    U  11           H3*        U  11   1.702   8.143 -16.477
  116    H2*    U  11          1H2*        U  11   1.624   5.774 -16.782
  117   2HO*    U  11          2HO*        U  11   3.416   4.584 -17.200
  118    H1*    U  11           H1*        U  11   3.476   5.141 -14.735
  119    H3     U  11           H3         U  11  -0.422   3.366 -13.319
  120    H5     U  11           H5         U  11  -0.747   7.487 -12.489
  121    H6     U  11           H6         U  11   1.289   7.810 -13.729
  122   1H5*    U  12          H5*         U  12   2.029   7.603 -21.750
  123   2H5*    U  12          2H5*        U  12   0.769   6.416 -21.357
  124    H4*    U  12           H4*        U  12   2.226   5.342 -22.837
  125    H3*    U  12           H3*        U  12   1.780   4.110 -20.497
  126    H2*    U  12          1H2*        U  12   3.704   4.967 -19.309
  127   2HO*    U  12          2HO*        U  12   4.339   2.584 -20.699
  128    H1*    U  12           H1*        U  12   5.388   4.515 -21.835
  129    H3     U  12           H3         U  12   8.941   5.967 -19.517
  130    H5     U  12           H5         U  12   6.065   8.959 -18.872
  131    H6     U  12           H6         U  12   4.490   7.593 -20.068
  132   1H5*    C  13          H5*         C  13   3.040   0.896 -19.343
  133   2H5*    C  13          2H5*        C  13   2.180  -0.227 -20.412
  134    H4*    C  13           H4*        C  13   1.752  -0.680 -18.061
  135    H3*    C  13           H3*        C  13  -0.167  -0.849 -19.922
  136    H2*    C  13          1H2*        C  13  -0.967   1.442 -19.711
  137   2HO*    C  13          2HO*        C  13  -2.677   1.071 -17.811
  138    H1*    C  13           H1*        C  13  -0.779   1.083 -16.666
  139   1H4     C  13          1H4         C  13  -0.755   7.585 -17.836
  140   2H4     C  13          2H4         C  13  -2.032   7.263 -16.685
  141    H5     C  13           H5         C  13   0.564   5.810 -18.840
  142    H6     C  13           H6         C  13   0.920   3.401 -18.926
  143   1H5*    G  14          H5*         G  14  -0.296  -3.896 -15.285
  144   2H5*    G  14          2H5*        G  14   0.268  -2.466 -16.164
  145    H4*    G  14           H4*        G  14   1.175  -5.123 -17.120
  146    H3*    G  14           H3*        G  14   1.910  -4.090 -14.429
  147    H2*    G  14          1H2*        G  14   4.243  -4.257 -14.842
  148   2HO*    G  14          2HO*        G  14   4.716  -6.127 -15.763
  149    H1*    G  14           H1*        G  14   4.205  -3.624 -17.594
  150    H8     G  14           H8         G  14   6.141  -2.162 -16.512
  151    H1     G  14           H1         G  14   1.627   1.873 -14.398
  152   1H2     G  14          1H2         G  14  -0.565  -0.731 -15.072
  153   2H2     G  14          2H2         G  14  -0.357   0.902 -14.479
  154   1H5*    G  15          H5*         G  15   3.216  -5.225 -11.326
  155   2H5*    G  15          2H5*        G  15   2.468  -4.212 -12.575
  156    H4*    G  15           H4*        G  15   5.442  -4.306 -12.309
  157    H3*    G  15           H3*        G  15   3.608  -2.879 -10.420
  158    H2*    G  15          1H2*        G  15   5.109  -0.983 -10.455
  159   2HO*    G  15          2HO*        G  15   7.009  -1.147 -11.864
  160    H1*    G  15           H1*        G  15   5.190  -0.842 -13.200
  161    H8     G  15           H8         G  15   1.879  -2.333 -12.589
  162    H1     G  15           H1         G  15   2.016   3.908 -11.182
  163   1H2     G  15          1H2         G  15   5.437   3.593 -11.510
  164   2H2     G  15          2H2         G  15   4.082   4.653 -11.200
  165   1H5*    C  16          H5*         C  16   7.268  -2.172  -9.378
  166   2H5*    C  16          2H5*        C  16   7.739  -2.523  -7.703
  167    H4*    C  16           H4*        C  16   8.517  -0.349  -8.241
  168    H3*    C  16           H3*        C  16   6.170  -0.328  -6.359
  169    H2*    C  16          1H2*        C  16   6.307   2.078  -6.298
  170   2HO*    C  16          2HO*        C  16   8.069   3.165  -7.196
  171    H1*    C  16           H1*        C  16   6.669   2.381  -9.059
  172   1H4     C  16          1H4         C  16   0.218   1.237  -8.238
  173   2H4     C  16          2H4         C  16   0.415   2.972  -8.220
  174    H5     C  16           H5         C  16   2.107  -0.290  -8.297
  175    H6     C  16           H6         C  16   4.540  -0.446  -8.381
  176   1H5*    C  17          H5*         C  17   8.417   2.639  -5.362
  177   2H5*    C  17          2H5*        C  17   9.438   2.084  -4.022
  178    H4*    C  17           H4*        C  17   9.081   4.297  -3.518
  179    H3*    C  17           H3*        C  17   7.155   2.612  -1.957
  180    H2*    C  17          1H2*        C  17   6.184   4.607  -1.021
  181   2HO*    C  17          2HO*        C  17   8.589   5.594  -1.513
  182    H1*    C  17           H1*        C  17   5.922   5.923  -3.438
  183   1H4     C  17          1H4         C  17   1.408   1.123  -3.844
  184   2H4     C  17          2H4         C  17   0.566   2.501  -3.179
  185    H5     C  17           H5         C  17   3.790   1.100  -4.255
  186    H6     C  17           H6         C  17   5.852   2.392  -4.109
  187   1H5*    U  18          H5*         U  18   8.382   5.310   0.734
  188   2H5*    U  18          2H5*        U  18   9.755   4.544   1.555
  189    H4*    U  18           H4*        U  18   8.845   4.735   3.601
  190    H3*    U  18           H3*        U  18   6.641   3.470   2.847
  191    H2*    U  18          1H2*        U  18   5.574   5.217   1.602
  192   2HO*    U  18          2HO*        U  18   4.850   6.014   4.244
  193    H1*    U  18           H1*        U  18   6.320   7.322   3.669
  194    H3     U  18           H3         U  18   5.621  10.770   0.964
  195    H5     U  18           H5         U  18   6.091   7.577  -1.723
  196    H6     U  18           H6         U  18   6.532   6.155   0.154
  197   1H5*    U  19          H5*         U  19   2.655   4.491   6.344
  198   2H5*    U  19          2H5*        U  19   3.211   4.979   4.731
  199    H4*    U  19           H4*        U  19   3.862   6.814   6.948
  200    H3*    U  19           H3*        U  19   1.007   6.228   6.295
  201    H2*    U  19          1H2*        U  19   0.507   8.570   6.112
  202   2HO*    U  19          2HO*        U  19   2.512   8.750   7.850
  203    H1*    U  19           H1*        U  19   2.769   9.283   4.661
  204    H3     U  19           H3         U  19  -0.878   9.306   1.877
  205    H5     U  19           H5         U  19   0.710   5.427   1.691
  206    H6     U  19           H6         U  19   2.144   6.007   3.534
  207   1H5*    G  20          H5*         G  20  -0.574   8.721   7.876
  208   2H5*    G  20          2H5*        G  20  -1.088   8.207   9.495
  209    H4*    G  20           H4*        G  20  -3.001   9.121   8.577
  210    H3*    G  20           H3*        G  20  -3.056   6.141   8.438
  211    H2*    G  20          1H2*        G  20  -5.113   6.181   7.170
  212   2HO*    G  20          2HO*        G  20  -5.374   8.555   8.356
  213    H1*    G  20           H1*        G  20  -4.242   7.968   5.291
  214    H8     G  20           H8         G  20  -0.996   6.600   6.204
  215    H1     G  20           H1         G  20  -4.492   2.342   2.934
  216   1H2     G  20          1H2         G  20  -7.133   4.488   3.572
  217   2H2     G  20          2H2         G  20  -6.594   2.995   2.838
  218   1H5*    U  21          H5*         U  21  -6.501   6.293   9.208
  219   2H5*    U  21          2H5*        U  21  -7.076   5.579  10.727
  220    H4*    U  21           H4*        U  21  -8.260   4.519   8.998
  221    H3*    U  21           H3*        U  21  -6.149   2.773  10.204
  222    H2*    U  21          1H2*        U  21  -6.657   1.032   8.625
  223   2HO*    U  21          2HO*        U  21  -9.055   2.182   8.684
  224    H1*    U  21           H1*        U  21  -6.820   2.683   6.388
  225    H3     U  21           H3         U  21  -2.895   0.264   6.269
  226    H5     U  21           H5         U  21  -2.019   3.872   8.207
  227    H6     U  21           H6         U  21  -4.383   4.313   8.309
  228   1H5*    U  22          H5*         U  22  -9.738   0.388   9.617
  229   2H5*    U  22          2H5*        U  22 -10.212  -0.062  11.267
  230    H4*    U  22           H4*        U  22 -10.524  -2.020  10.110
  231    H3*    U  22           H3*        U  22  -7.820  -2.110  11.409
  232    H2*    U  22          1H2*        U  22  -7.439  -4.273  10.410
  233   2HO*    U  22          2HO*        U  22  -9.103  -5.501   9.952
  234    H1*    U  22           H1*        U  22  -8.283  -3.538   7.873
  235    H3     U  22           H3         U  22  -3.806  -3.482   7.415
  236    H5     U  22           H5         U  22  -4.642   0.011   9.588
  237    H6     U  22           H6         U  22  -6.926  -0.730   9.747
  238   1H5*    U  23          H5*         U  23  -9.726  -5.567  11.603
  239   2H5*    U  23          2H5*        U  23  -9.714  -6.455  13.139
  240    H4*    U  23           H4*        U  23  -9.013  -7.950  11.447
  241    H3*    U  23           H3*        U  23  -6.766  -7.053  13.229
  242    H2*    U  23          1H2*        U  23  -5.263  -8.446  11.970
  243   2HO*    U  23          2HO*        U  23  -6.053 -10.228  11.149
  244    H1*    U  23           H1*        U  23  -6.264  -7.710   9.459
  245    H3     U  23           H3         U  23  -2.308  -5.602   9.471
  246    H5     U  23           H5         U  23  -4.632  -3.374  12.172
  247    H6     U  23           H6         U  23  -6.337  -5.060  11.969
  248   1H5*    C  24          H5*         C  24  -6.707 -11.182  12.985
  249   2H5*    C  24          2H5*        C  24  -6.191 -12.004  14.471
  250    H4*    C  24           H4*        C  24  -4.773 -12.626  12.623
  251    H3*    C  24           H3*        C  24  -3.449 -11.012  14.788
  252    H2*    C  24          1H2*        C  24  -1.373 -11.189  13.567
  253   2HO*    C  24          2HO*        C  24  -2.612 -13.381  12.580
  254    H1*    C  24           H1*        C  24  -2.501 -10.587  11.083
  255   1H4     C  24          1H4         C  24  -2.105  -4.792  14.216
  256   2H4     C  24          2H4         C  24  -0.614  -4.967  13.313
  257    H5     C  24           H5         C  24  -3.744  -6.575  14.377
  258    H6     C  24           H6         C  24  -4.283  -8.853  13.693
  259   1H5*    C  25          H5*         C  25  -0.634 -13.610  13.978
  260   2H5*    C  25          2H5*        C  25  -0.543 -14.770  15.317
  261    H4*    C  25           H4*        C  25   1.668 -14.309  14.883
  262    H3*    C  25           H3*        C  25   0.754 -12.619  17.185
  263    H2*    C  25          1H2*        C  25   2.909 -11.562  17.271
  264   2HO*    C  25          2HO*        C  25   3.837 -13.238  15.175
  265    H1*    C  25           H1*        C  25   3.180 -11.225  14.509
  266   1H4     C  25          1H4         C  25  -0.974  -6.460  16.408
  267   2H4     C  25          2H4         C  25   0.631  -5.765  16.456
  268    H5     C  25           H5         C  25  -1.360  -8.814  15.938
  269    H6     C  25           H6         C  25  -0.288 -10.947  15.435
  270    H3T    C  25           H3T        C  25   2.829 -14.370  17.361
  Start of MODEL   21
    1   1H5*    G   1          H5*         G   1   5.320   2.984  14.172
    2   2H5*    G   1          2H5*        G   1   5.087   2.545  15.874
    3    H4*    G   1           H4*        G   1   7.718   1.934  14.656
    4    H3*    G   1           H3*        G   1   5.213   0.575  13.727
    5    H2*    G   1          1H2*        G   1   6.304  -1.561  13.917
    6   2HO*    G   1          2HO*        G   1   8.461  -0.199  13.405
    7    H1*    G   1           H1*        G   1   7.364  -1.122  16.427
    8    H8     G   1           H8         G   1   4.284   0.756  16.756
    9    H1     G   1           H1         G   1   3.139  -5.538  16.425
   10   1H2     G   1          1H2         G   1   6.404  -5.761  15.307
   11   2H2     G   1          2H2         G   1   4.914  -6.599  15.685
   12    H5T    G   1           H5T        G   1   7.144   3.647  16.249
   13   1H5*    G   2          H5*         G   2   8.358  -0.877  11.432
   14   2H5*    G   2          2H5*        G   2   8.016  -0.886   9.691
   15    H4*    G   2           H4*        G   2   8.841  -3.029  10.340
   16    H3*    G   2           H3*        G   2   5.953  -2.971   9.536
   17    H2*    G   2          1H2*        G   2   5.802  -5.345   9.990
   18   2HO*    G   2          2HO*        G   2   8.287  -5.403   9.371
   19    H1*    G   2           H1*        G   2   6.953  -5.196  12.484
   20    H8     G   2           H8         G   2   5.423  -1.886  12.354
   21    H1     G   2           H1         G   2   1.028  -6.494  13.011
   22   1H2     G   2          1H2         G   2   3.589  -8.639  12.071
   23   2H2     G   2          2H2         G   2   1.904  -8.465  12.513
   24   1H5*    A   3          H5*         A   3   7.088  -6.270   7.914
   25   2H5*    A   3          2H5*        A   3   7.157  -6.159   6.144
   26    H4*    A   3           H4*        A   3   6.088  -8.161   6.473
   27    H3*    A   3           H3*        A   3   4.050  -6.034   5.960
   28    H2*    A   3          1H2*        A   3   2.266  -7.611   6.362
   29   2HO*    A   3          2HO*        A   3   4.216  -9.369   5.727
   30    H1*    A   3           H1*        A   3   3.283  -8.587   8.721
   31    H8     A   3           H8         A   3   4.540  -5.087   8.642
   32   1H6     A   3          1H6         A   3   0.668  -2.811  10.460
   33   2H6     A   3          2H6         A   3  -0.993  -3.292  10.748
   34    H2     A   3           H2         A   3  -1.303  -7.594   9.504
   35   1H5*    A   4          H5*         A   4   2.931  -9.321   3.870
   36   2H5*    A   4          2H5*        A   4   3.030  -9.070   2.115
   37    H4*    A   4           H4*        A   4   1.054 -10.212   2.343
   38    H3*    A   4           H3*        A   4   0.502  -7.285   2.129
   39    H2*    A   4          1H2*        A   4  -1.848  -7.653   2.544
   40   2HO*    A   4          2HO*        A   4  -1.389  -9.968   1.468
   41    H1*    A   4           H1*        A   4  -1.504  -9.231   4.761
   42    H8     A   4           H8         A   4   1.507  -6.994   4.662
   43   1H6     A   4          1H6         A   4  -0.295  -3.216   7.122
   44   2H6     A   4          2H6         A   4  -1.904  -2.770   7.643
   45    H2     A   4           H2         A   4  -4.634  -6.061   6.269
   46   1H5*    G   5          H5*         G   5  -2.383  -8.971  -0.020
   47   2H5*    G   5          2H5*        G   5  -2.627  -8.261  -1.627
   48    H4*    G   5           H4*        G   5  -4.702  -8.170  -0.523
   49    H3*    G   5           H3*        G   5  -3.400  -5.449  -0.558
   50    H2*    G   5          1H2*        G   5  -5.434  -4.609   0.457
   51   2HO*    G   5          2HO*        G   5  -6.450  -6.841  -0.677
   52    H1*    G   5           H1*        G   5  -5.540  -6.645   2.369
   53    H8     G   5           H8         G   5  -1.928  -5.917   1.881
   54    H1     G   5           H1         G   5  -4.956  -1.517   5.424
   55   1H2     G   5          1H2         G   5  -7.839  -3.031   4.315
   56   2H2     G   5          2H2         G   5  -7.112  -1.767   5.281
   57   1H5*    C   6          H5*         C   6  -7.255  -4.801  -1.499
   58   2H5*    C   6          2H5*        C   6  -7.315  -4.246  -3.184
   59    H4*    C   6           H4*        C   6  -8.789  -2.830  -2.141
   60    H3*    C   6           H3*        C   6  -6.127  -1.437  -2.280
   61    H2*    C   6          1H2*        C   6  -7.149   0.465  -1.177
   62   2HO*    C   6          2HO*        C   6  -9.385  -0.642  -2.180
   63    H1*    C   6           H1*        C   6  -8.293  -1.046   0.838
   64   1H4     C   6          1H4         C   6  -1.819  -1.187   2.125
   65   2H4     C   6          2H4         C   6  -2.423   0.227   2.951
   66    H5     C   6           H5         C   6  -3.175  -2.542   0.656
   67    H6     C   6           H6         C   6  -5.390  -2.813  -0.325
   68   1H5*    A   7          H5*         A   7  -9.014   1.005  -3.538
   69   2H5*    A   7          2H5*        A   7  -8.644   2.281  -4.715
   70    H4*    A   7           H4*        A   7  -9.407   3.120  -2.520
   71    H3*    A   7           H3*        A   7  -6.769   3.974  -3.645
   72    H2*    A   7          1H2*        A   7  -6.297   5.239  -1.654
   73   2HO*    A   7          2HO*        A   7  -8.935   5.409  -1.572
   74    H1*    A   7           H1*        A   7  -7.147   3.305   0.158
   75    H8     A   7           H8         A   7  -5.639   1.098  -2.286
   76   1H6     A   7          1H6         A   7  -0.936   1.614  -1.198
   77   2H6     A   7          2H6         A   7  -0.048   2.785  -0.244
   78    H2     A   7           H2         A   7  -3.045   5.706   1.353
   79   1H5*    G   8          H5*         G   8  -7.149   7.173  -1.809
   80   2H5*    G   8          2H5*        G   8  -7.596   8.424  -2.985
   81    H4*    G   8           H4*        G   8  -5.831   9.396  -1.901
   82    H3*    G   8           H3*        G   8  -4.885   8.151  -4.439
   83    H2*    G   8          1H2*        G   8  -2.585   8.586  -3.893
   84   2HO*    G   8          2HO*        G   8  -3.619  10.606  -2.561
   85    H1*    G   8           H1*        G   8  -2.689   7.690  -1.286
   86    H8     G   8           H8         G   8  -5.179   5.688  -3.252
   87    H1     G   8           H1         G   8   0.851   3.561  -3.742
   88   1H2     G   8          1H2         G   8   1.706   6.536  -2.235
   89   2H2     G   8          2H2         G   8   2.251   5.020  -2.921
   90   1H5*    G   9          H5*         G   9  -2.637  11.093  -4.011
   91   2H5*    G   9          2H5*        G   9  -2.760  12.387  -5.219
   92    H4*    G   9           H4*        G   9  -0.497  12.030  -5.108
   93    H3*    G   9           H3*        G   9  -1.567  10.409  -7.405
   94    H2*    G   9          1H2*        G   9   0.681   9.656  -7.836
   95   2HO*    G   9          2HO*        G   9   2.100  11.213  -7.468
   96    H1*    G   9           H1*        G   9   1.283   9.134  -5.155
   97    H8     G   9           H8         G   9  -2.296   8.357  -6.226
   98    H1     G   9           H1         G   9   1.855   3.507  -6.870
   99   1H2     G   9          1H2         G   9   4.255   5.854  -6.042
  100   2H2     G   9          2H2         G   9   3.902   4.195  -6.471
  101   1H5*    C  10          H5*         C  10   1.722  12.887  -8.869
  102   2H5*    C  10          2H5*        C  10   1.552  13.124 -10.619
  103    H4*    C  10           H4*        C  10   3.645  12.016 -10.026
  104    H3*    C  10           H3*        C  10   1.702  10.498 -11.740
  105    H2*    C  10          1H2*        C  10   3.269   8.663 -11.812
  106   2HO*    C  10          2HO*        C  10   5.018  10.631 -11.360
  107    H1*    C  10           H1*        C  10   3.799   8.679  -9.081
  108   1H4     C  10          1H4         C  10  -2.197   5.996  -9.967
  109   2H4     C  10          2H4         C  10  -1.085   4.713  -9.587
  110    H5     C  10           H5         C  10  -1.471   8.323 -10.136
  111    H6     C  10           H6         C  10   0.458   9.811 -10.076
  112   1H5*    U  11          H5*         U  11   4.732   9.423 -13.271
  113   2H5*    U  11          2H5*        U  11   4.996   9.882 -14.964
  114    H4*    U  11           H4*        U  11   5.319   7.605 -14.991
  115    H3*    U  11           H3*        U  11   2.496   8.179 -15.845
  116    H2*    U  11          1H2*        U  11   2.139   5.807 -16.096
  117   2HO*    U  11          2HO*        U  11   3.934   4.370 -15.764
  118    H1*    U  11           H1*        U  11   3.359   5.118 -13.673
  119    H3     U  11           H3         U  11  -0.963   4.547 -12.622
  120    H5     U  11           H5         U  11  -0.544   8.731 -12.889
  121    H6     U  11           H6         U  11   1.704   8.369 -13.666
  122   1H5*    U  12          H5*         U  12   3.653   8.006 -20.914
  123   2H5*    U  12          2H5*        U  12   1.903   7.741 -21.041
  124    H4*    U  12           H4*        U  12   2.755   5.976 -22.225
  125    H3*    U  12           H3*        U  12   1.364   5.197 -20.083
  126    H2*    U  12          1H2*        U  12   3.209   5.017 -18.534
  127   2HO*    U  12          2HO*        U  12   2.166   2.805 -19.236
  128    H1*    U  12           H1*        U  12   4.875   3.677 -20.729
  129    H3     U  12           H3         U  12   8.163   3.318 -17.700
  130    H5     U  12           H5         U  12   7.135   7.384 -17.554
  131    H6     U  12           H6         U  12   5.322   6.901 -19.059
  132   1H5*    C  13          H5*         C  13   1.910   1.051 -19.698
  133   2H5*    C  13          2H5*        C  13   0.357   0.501 -20.356
  134    H4*    C  13           H4*        C  13   0.901  -0.162 -17.979
  135    H3*    C  13           H3*        C  13  -1.534   0.063 -19.018
  136    H2*    C  13          1H2*        C  13  -1.799   2.453 -18.646
  137   2HO*    C  13          2HO*        C  13  -2.813   0.910 -16.504
  138    H1*    C  13           H1*        C  13  -0.696   2.027 -15.818
  139   1H4     C  13          1H4         C  13   0.309   8.391 -17.238
  140   2H4     C  13          2H4         C  13  -0.627   8.332 -15.759
  141    H5     C  13           H5         C  13   0.868   6.401 -18.503
  142    H6     C  13           H6         C  13   0.660   3.972 -18.595
  143   1H5*    G  14          H5*         G  14  -0.276  -1.770 -18.957
  144   2H5*    G  14          2H5*        G  14  -0.551  -3.433 -19.509
  145    H4*    G  14           H4*        G  14   1.254  -4.169 -18.476
  146    H3*    G  14           H3*        G  14   0.146  -2.875 -16.007
  147    H2*    G  14          1H2*        G  14   2.296  -2.716 -15.057
  148   2HO*    G  14          2HO*        G  14   2.806  -4.892 -15.192
  149    H1*    G  14           H1*        G  14   3.750  -2.781 -17.600
  150    H8     G  14           H8         G  14   5.269  -0.802 -17.462
  151    H1     G  14           H1         G  14   1.093   2.508 -13.888
  152   1H2     G  14          1H2         G  14  -0.974  -0.253 -14.339
  153   2H2     G  14          2H2         G  14  -0.773   1.334 -13.630
  154   1H5*    G  15          H5*         G  15   0.956  -4.098 -12.025
  155   2H5*    G  15          2H5*        G  15   0.647  -2.991 -13.376
  156    H4*    G  15           H4*        G  15   3.434  -3.771 -13.223
  157    H3*    G  15           H3*        G  15   2.219  -2.797 -10.685
  158    H2*    G  15          1H2*        G  15   3.907  -1.107 -10.419
  159   2HO*    G  15          2HO*        G  15   5.486  -2.723 -11.519
  160    H1*    G  15           H1*        G  15   3.792  -0.133 -12.986
  161    H8     G  15           H8         G  15   0.360  -1.414 -12.310
  162    H1     G  15           H1         G  15   1.480   4.306  -9.672
  163   1H2     G  15          1H2         G  15   4.783   3.682 -10.477
  164   2H2     G  15          2H2         G  15   3.630   4.795  -9.778
  165   1H5*    C  16          H5*         C  16   6.192  -3.806  -9.152
  166   2H5*    C  16          2H5*        C  16   5.932  -4.444  -7.517
  167    H4*    C  16           H4*        C  16   7.312  -2.398  -7.587
  168    H3*    C  16           H3*        C  16   4.783  -2.439  -5.979
  169    H2*    C  16          1H2*        C  16   5.129  -0.143  -5.369
  170   2HO*    C  16          2HO*        C  16   7.137   0.500  -5.141
  171    H1*    C  16           H1*        C  16   5.901   0.735  -7.906
  172   1H4     C  16          1H4         C  16  -0.666   0.211  -8.235
  173   2H4     C  16          2H4         C  16  -0.322   1.873  -7.798
  174    H5     C  16           H5         C  16   1.070  -1.476  -8.394
  175    H6     C  16           H6         C  16   3.462  -1.899  -8.195
  176   1H5*    C  17          H5*         C  17   8.159  -0.608  -4.281
  177   2H5*    C  17          2H5*        C  17   8.491  -1.174  -2.632
  178    H4*    C  17           H4*        C  17   8.794   1.166  -2.649
  179    H3*    C  17           H3*        C  17   6.318   0.286  -1.214
  180    H2*    C  17          1H2*        C  17   5.741   2.579  -0.780
  181   2HO*    C  17          2HO*        C  17   8.364   2.891  -0.940
  182    H1*    C  17           H1*        C  17   6.215   3.485  -3.356
  183   1H4     C  17          1H4         C  17   0.671  -0.023  -4.010
  184   2H4     C  17          2H4         C  17   0.171   1.640  -3.832
  185    H5     C  17           H5         C  17   2.965  -0.740  -3.792
  186    H6     C  17           H6         C  17   5.250  -0.007  -3.364
  187   1H5*    U  18          H5*         U  18   8.034   3.427   0.954
  188   2H5*    U  18          2H5*        U  18   9.102   2.459   1.988
  189    H4*    U  18           H4*        U  18   8.492   3.517   3.840
  190    H3*    U  18           H3*        U  18   6.052   2.552   3.603
  191    H2*    U  18          1H2*        U  18   5.183   3.994   1.899
  192   2HO*    U  18          2HO*        U  18   4.856   5.534   4.288
  193    H1*    U  18           H1*        U  18   6.422   6.480   3.123
  194    H3     U  18           H3         U  18   6.384   8.874  -0.616
  195    H5     U  18           H5         U  18   5.806   4.962  -2.020
  196    H6     U  18           H6         U  18   6.091   4.187   0.230
  197   1H5*    U  19          H5*         U  19   2.499   4.475   6.521
  198   2H5*    U  19          2H5*        U  19   3.354   4.842   5.010
  199    H4*    U  19           H4*        U  19   3.886   6.745   7.162
  200    H3*    U  19           H3*        U  19   1.033   6.303   6.358
  201    H2*    U  19          1H2*        U  19   0.714   8.675   6.144
  202   2HO*    U  19          2HO*        U  19   2.600   8.724   8.003
  203    H1*    U  19           H1*        U  19   3.133   9.187   4.841
  204    H3     U  19           H3         U  19  -0.316   9.666   1.856
  205    H5     U  19           H5         U  19   0.874   5.647   1.646
  206    H6     U  19           H6         U  19   2.221   6.021   3.606
  207   1H5*    G  20          H5*         G  20  -0.678   8.260   7.456
  208   2H5*    G  20          2H5*        G  20  -1.223   7.995   9.123
  209    H4*    G  20           H4*        G  20  -3.204   8.500   8.172
  210    H3*    G  20           H3*        G  20  -2.918   5.533   7.926
  211    H2*    G  20          1H2*        G  20  -4.950   5.433   6.615
  212   2HO*    G  20          2HO*        G  20  -6.390   6.981   6.828
  213    H1*    G  20           H1*        G  20  -4.179   7.357   4.829
  214    H8     G  20           H8         G  20  -0.851   6.247   5.771
  215    H1     G  20           H1         G  20  -3.937   1.783   2.352
  216   1H2     G  20          1H2         G  20  -6.743   3.691   2.983
  217   2H2     G  20          2H2         G  20  -6.072   2.266   2.224
  218   1H5*    U  21          H5*         U  21  -6.588   5.791   8.528
  219   2H5*    U  21          2H5*        U  21  -7.197   5.135  10.061
  220    H4*    U  21           H4*        U  21  -8.607   4.261   8.432
  221    H3*    U  21           H3*        U  21  -6.646   2.267   9.449
  222    H2*    U  21          1H2*        U  21  -7.275   0.645   7.799
  223   2HO*    U  21          2HO*        U  21  -9.592   1.984   7.947
  224    H1*    U  21           H1*        U  21  -7.388   2.360   5.626
  225    H3     U  21           H3         U  21  -3.497   0.008   5.176
  226    H5     U  21           H5         U  21  -2.554   3.284   7.601
  227    H6     U  21           H6         U  21  -4.906   3.762   7.750
  228   1H5*    U  22          H5*         U  22 -10.130   0.070   9.348
  229   2H5*    U  22          2H5*        U  22 -10.589  -0.445  10.983
  230    H4*    U  22           H4*        U  22 -10.734  -2.399   9.790
  231    H3*    U  22           H3*        U  22  -8.061  -2.295  11.144
  232    H2*    U  22          1H2*        U  22  -7.454  -4.377  10.101
  233   2HO*    U  22          2HO*        U  22  -9.005  -5.759   9.683
  234    H1*    U  22           H1*        U  22  -8.348  -3.692   7.563
  235    H3     U  22           H3         U  22  -3.914  -3.234   7.084
  236    H5     U  22           H5         U  22  -5.015   0.112   9.372
  237    H6     U  22           H6         U  22  -7.232  -0.816   9.508
  238   1H5*    U  23          H5*         U  23  -9.751  -5.948  11.611
  239   2H5*    U  23          2H5*        U  23  -9.580  -6.738  13.190
  240    H4*    U  23           H4*        U  23  -8.761  -8.248  11.578
  241    H3*    U  23           H3*        U  23  -6.549  -6.946  13.142
  242    H2*    U  23          1H2*        U  23  -4.956  -8.233  11.876
  243   2HO*    U  23          2HO*        U  23  -5.547 -10.140  11.156
  244    H1*    U  23           H1*        U  23  -6.172  -7.787   9.398
  245    H3     U  23           H3         U  23  -2.581  -5.131   9.030
  246    H5     U  23           H5         U  23  -4.949  -3.177  11.889
  247    H6     U  23           H6         U  23  -6.427  -5.075  11.849
  248   1H5*    C  24          H5*         C  24  -5.919 -10.832  12.944
  249   2H5*    C  24          2H5*        C  24  -5.627 -11.699  14.465
  250    H4*    C  24           H4*        C  24  -3.928 -12.376  13.004
  251    H3*    C  24           H3*        C  24  -2.937 -10.407  15.039
  252    H2*    C  24          1H2*        C  24  -0.734 -10.536  14.048
  253   2HO*    C  24          2HO*        C  24  -1.601 -12.918  13.273
  254    H1*    C  24           H1*        C  24  -1.614 -10.167  11.457
  255   1H4     C  24          1H4         C  24  -2.557  -4.278  14.277
  256   2H4     C  24          2H4         C  24  -0.913  -4.264  13.678
  257    H5     C  24           H5         C  24  -3.946  -6.260  14.221
  258    H6     C  24           H6         C  24  -4.040  -8.609  13.578
  259   1H5*    C  25          H5*         C  25  -0.240 -13.165  14.800
  260   2H5*    C  25          2H5*        C  25   0.378 -13.869  16.307
  261    H4*    C  25           H4*        C  25   2.213 -13.069  15.006
  262    H3*    C  25           H3*        C  25   1.665 -11.504  17.509
  263    H2*    C  25          1H2*        C  25   3.496 -10.043  16.979
  264   2HO*    C  25          2HO*        C  25   4.472 -12.192  15.848
  265    H1*    C  25           H1*        C  25   2.888  -9.808  14.253
  266   1H4     C  25          1H4         C  25  -1.345  -5.746  17.256
  267   2H4     C  25          2H4         C  25   0.109  -4.806  16.995
  268    H5     C  25           H5         C  25  -1.461  -8.124  16.786
  269    H6     C  25           H6         C  25  -0.215 -10.059  15.978
  270    H3T    C  25           H3T        C  25   2.508 -13.391  17.932
  Start of MODEL   22
    1   1H5*    G   1          H5*         G   1   7.493  -0.202  17.173
    2   2H5*    G   1          2H5*        G   1   7.146  -1.374  18.458
    3    H4*    G   1           H4*        G   1   9.569  -1.918  16.890
    4    H3*    G   1           H3*        G   1   6.931  -1.774  15.482
    5    H2*    G   1          1H2*        G   1   7.348  -3.907  14.441
    6   2HO*    G   1          2HO*        G   1   9.819  -3.193  14.565
    7    H1*    G   1           H1*        G   1   8.237  -5.192  16.733
    8    H8     G   1           H8         G   1   5.561  -2.580  17.443
    9    H1     G   1           H1         G   1   3.337  -8.445  16.113
   10   1H2     G   1          1H2         G   1   6.629  -9.164  15.307
   11   2H2     G   1          2H2         G   1   4.986  -9.750  15.433
   12    H5T    G   1           H5T        G   1   9.372  -1.090  19.119
   13   1H5*    G   2          H5*         G   2   9.571  -2.754  12.258
   14   2H5*    G   2          2H5*        G   2   8.840  -2.106  10.777
   15    H4*    G   2           H4*        G   2   9.012  -4.587  10.874
   16    H3*    G   2           H3*        G   2   6.277  -3.369  10.476
   17    H2*    G   2          1H2*        G   2   5.459  -5.629  10.228
   18   2HO*    G   2          2HO*        G   2   7.896  -6.084   9.364
   19    H1*    G   2           H1*        G   2   6.878  -6.603  12.439
   20    H8     G   2           H8         G   2   5.785  -3.228  13.461
   21    H1     G   2           H1         G   2   0.990  -7.486  13.471
   22   1H2     G   2          1H2         G   2   3.210  -9.509  11.741
   23   2H2     G   2          2H2         G   2   1.610  -9.329  12.425
   24   1H5*    A   3          H5*         A   3   7.403  -6.119   7.454
   25   2H5*    A   3          2H5*        A   3   7.049  -5.538   5.815
   26    H4*    A   3           H4*        A   3   6.381  -7.814   5.975
   27    H3*    A   3           H3*        A   3   4.150  -5.840   5.735
   28    H2*    A   3          1H2*        A   3   2.521  -7.603   5.953
   29   2HO*    A   3          2HO*        A   3   4.524  -9.074   4.983
   30    H1*    A   3           H1*        A   3   3.688  -8.821   8.133
   31    H8     A   3           H8         A   3   4.569  -5.264   8.668
   32   1H6     A   3          1H6         A   3   0.479  -3.715  10.736
   33   2H6     A   3          2H6         A   3  -1.135  -4.382  10.882
   34    H2     A   3           H2         A   3  -1.024  -8.412   8.907
   35   1H5*    A   4          H5*         A   4   3.229  -8.909   3.132
   36   2H5*    A   4          2H5*        A   4   3.335  -8.326   1.459
   37    H4*    A   4           H4*        A   4   1.421  -9.583   1.416
   38    H3*    A   4           H3*        A   4   0.713  -6.705   1.771
   39    H2*    A   4          1H2*        A   4  -1.616  -7.260   2.074
   40   2HO*    A   4          2HO*        A   4  -1.034  -9.293   0.570
   41    H1*    A   4           H1*        A   4  -1.207  -9.219   3.949
   42    H8     A   4           H8         A   4   1.710  -6.911   4.344
   43   1H6     A   4          1H6         A   4  -0.265  -3.711   7.397
   44   2H6     A   4          2H6         A   4  -1.905  -3.400   7.922
   45    H2     A   4           H2         A   4  -4.491  -6.471   5.923
   46   1H5*    G   5          H5*         G   5  -1.973  -8.107  -0.716
   47   2H5*    G   5          2H5*        G   5  -2.340  -7.139  -2.157
   48    H4*    G   5           H4*        G   5  -4.354  -7.501  -0.931
   49    H3*    G   5           H3*        G   5  -3.366  -4.658  -0.795
   50    H2*    G   5          1H2*        G   5  -5.376  -4.131   0.449
   51   2HO*    G   5          2HO*        G   5  -7.104  -5.349   0.202
   52    H1*    G   5           H1*        G   5  -5.104  -6.286   2.188
   53    H8     G   5           H8         G   5  -1.605  -5.411   1.619
   54    H1     G   5           H1         G   5  -4.629  -1.012   5.171
   55   1H2     G   5          1H2         G   5  -7.511  -2.558   4.092
   56   2H2     G   5          2H2         G   5  -6.791  -1.273   5.035
   57   1H5*    C   6          H5*         C   6  -7.205  -4.226  -1.148
   58   2H5*    C   6          2H5*        C   6  -7.576  -3.637  -2.781
   59    H4*    C   6           H4*        C   6  -8.958  -2.359  -1.471
   60    H3*    C   6           H3*        C   6  -6.455  -0.786  -1.998
   61    H2*    C   6          1H2*        C   6  -7.360   1.016  -0.665
   62   2HO*    C   6          2HO*        C   6  -9.512   1.040  -1.084
   63    H1*    C   6           H1*        C   6  -8.118  -0.610   1.449
   64   1H4     C   6          1H4         C   6  -1.538  -0.468   1.853
   65   2H4     C   6          2H4         C   6  -2.080   0.929   2.751
   66    H5     C   6           H5         C   6  -3.028  -1.873   0.573
   67    H6     C   6           H6         C   6  -5.343  -2.231  -0.101
   68   1H5*    A   7          H5*         A   7  -9.450   1.618  -2.920
   69   2H5*    A   7          2H5*        A   7  -9.251   2.781  -4.245
   70    H4*    A   7           H4*        A   7  -9.579   3.902  -2.118
   71    H3*    A   7           H3*        A   7  -6.900   4.297  -3.438
   72    H2*    A   7          1H2*        A   7  -6.318   5.788  -1.634
   73   2HO*    A   7          2HO*        A   7  -8.907   6.218  -1.584
   74    H1*    A   7           H1*        A   7  -7.356   4.138   0.384
   75    H8     A   7           H8         A   7  -5.803   1.593  -1.673
   76   1H6     A   7          1H6         A   7  -1.137   2.177  -0.428
   77   2H6     A   7          2H6         A   7  -0.275   3.466   0.389
   78    H2     A   7           H2         A   7  -3.267   6.633   1.385
   79   1H5*    G   8          H5*         G   8  -7.075   7.705  -1.900
   80   2H5*    G   8          2H5*        G   8  -7.589   8.812  -3.187
   81    H4*    G   8           H4*        G   8  -5.886   9.985  -2.231
   82    H3*    G   8           H3*        G   8  -4.757   8.487  -4.562
   83    H2*    G   8          1H2*        G   8  -2.547   9.272  -4.008
   84   2HO*    G   8          2HO*        G   8  -3.820  11.329  -3.074
   85    H1*    G   8           H1*        G   8  -2.708   8.718  -1.302
   86    H8     G   8           H8         G   8  -4.771   6.098  -2.908
   87    H1     G   8           H1         G   8   1.530   5.005  -3.422
   88   1H2     G   8          1H2         G   8   1.870   8.270  -2.365
   89   2H2     G   8          2H2         G   8   2.662   6.794  -2.873
   90   1H5*    G   9          H5*         G   9  -3.071  11.878  -4.952
   91   2H5*    G   9          2H5*        G   9  -3.399  12.794  -6.435
   92    H4*    G   9           H4*        G   9  -1.101  12.774  -6.342
   93    H3*    G   9           H3*        G   9  -1.988  10.554  -8.164
   94    H2*    G   9          1H2*        G   9   0.328   9.963  -8.494
   95   2HO*    G   9          2HO*        G   9   0.675  12.545  -7.866
   96    H1*    G   9           H1*        G   9   1.022  10.122  -5.796
   97    H8     G   9           H8         G   9  -2.467   8.789  -5.979
   98    H1     G   9           H1         G   9   2.051   4.373  -7.098
   99   1H2     G   9          1H2         G   9   4.202   7.073  -7.280
  100   2H2     G   9          2H2         G   9   4.003   5.340  -7.380
  101   1H5*    C  10          H5*         C  10   1.090  12.434  -9.700
  102   2H5*    C  10          2H5*        C  10   0.885  13.127 -11.321
  103    H4*    C  10           H4*        C  10   2.907  12.058 -11.487
  104    H3*    C  10           H3*        C  10   0.783  10.247 -12.578
  105    H2*    C  10          1H2*        C  10   2.461   8.557 -12.977
  106   2HO*    C  10          2HO*        C  10   4.045  10.679 -13.125
  107    H1*    C  10           H1*        C  10   3.668   8.787 -10.487
  108   1H4     C  10          1H4         C  10  -2.066   5.683  -9.357
  109   2H4     C  10          2H4         C  10  -0.799   4.484  -9.315
  110    H5     C  10           H5         C  10  -1.625   8.011  -9.927
  111    H6     C  10           H6         C  10   0.102   9.612 -10.562
  112   1H5*    U  11          H5*         U  11   3.452  10.283 -15.150
  113   2H5*    U  11          2H5*        U  11   3.233  10.455 -16.904
  114    H4*    U  11           H4*        U  11   4.166   8.333 -16.593
  115    H3*    U  11           H3*        U  11   1.206   8.130 -17.094
  116    H2*    U  11          1H2*        U  11   1.356   5.761 -16.873
  117   2HO*    U  11          2HO*        U  11   3.572   4.844 -16.676
  118    H1*    U  11           H1*        U  11   3.374   5.801 -14.841
  119    H3     U  11           H3         U  11  -0.150   3.594 -13.050
  120    H5     U  11           H5         U  11  -1.113   7.675 -12.719
  121    H6     U  11           H6         U  11   0.796   8.159 -14.099
  122   1H5*    U  12          H5*         U  12   1.736   6.081 -22.043
  123   2H5*    U  12          2H5*        U  12   0.337   5.325 -21.256
  124    H4*    U  12           H4*        U  12   1.675   3.636 -22.297
  125    H3*    U  12           H3*        U  12   0.778   3.232 -19.834
  126    H2*    U  12          1H2*        U  12   2.644   4.263 -18.662
  127   2HO*    U  12          2HO*        U  12   2.798   1.494 -18.914
  128    H1*    U  12           H1*        U  12   4.551   2.737 -20.516
  129    H3     U  12           H3         U  12   7.955   4.527 -18.211
  130    H5     U  12           H5         U  12   5.623   7.856 -19.260
  131    H6     U  12           H6         U  12   3.989   6.333 -20.154
  132   1H5*    C  13          H5*         C  13   1.806  -0.288 -17.932
  133   2H5*    C  13          2H5*        C  13   0.769  -1.350 -18.903
  134    H4*    C  13           H4*        C  13   0.353  -1.540 -16.499
  135    H3*    C  13           H3*        C  13  -1.587  -1.710 -18.298
  136    H2*    C  13          1H2*        C  13  -2.104   0.658 -18.454
  137   2HO*    C  13          2HO*        C  13  -3.722  -0.811 -16.771
  138    H1*    C  13           H1*        C  13  -1.990   0.856 -15.401
  139   1H4     C  13          1H4         C  13  -0.652   6.849 -17.837
  140   2H4     C  13          2H4         C  13  -2.044   7.022 -16.793
  141    H5     C  13           H5         C  13   0.360   4.699 -18.316
  142    H6     C  13           H6         C  13   0.232   2.301 -17.908
  143   1H5*    G  14          H5*         G  14  -2.035  -4.053 -13.289
  144   2H5*    G  14          2H5*        G  14  -1.330  -2.820 -14.347
  145    H4*    G  14           H4*        G  14  -0.759  -5.706 -14.848
  146    H3*    G  14           H3*        G  14   0.261  -4.202 -12.495
  147    H2*    G  14          1H2*        G  14   2.542  -4.711 -12.982
  148   2HO*    G  14          2HO*        G  14   1.409  -6.915 -13.968
  149    H1*    G  14           H1*        G  14   2.416  -4.481 -15.761
  150    H8     G  14           H8         G  14   4.368  -2.872 -15.063
  151    H1     G  14           H1         G  14   0.005   1.444 -13.208
  152   1H2     G  14          1H2         G  14  -2.238  -1.188 -13.427
  153   2H2     G  14          2H2         G  14  -1.988   0.503 -13.057
  154   1H5*    G  15          H5*         G  15   1.926  -4.706  -9.360
  155   2H5*    G  15          2H5*        G  15   1.150  -3.930 -10.753
  156    H4*    G  15           H4*        G  15   4.037  -4.461 -11.007
  157    H3*    G  15           H3*        G  15   3.027  -2.771  -8.793
  158    H2*    G  15          1H2*        G  15   4.369  -0.900  -9.407
  159   2HO*    G  15          2HO*        G  15   6.286  -1.301 -10.205
  160    H1*    G  15           H1*        G  15   3.977  -1.028 -12.146
  161    H8     G  15           H8         G  15   0.725  -2.092 -10.844
  162    H1     G  15           H1         G  15   1.618   4.217 -10.253
  163   1H2     G  15          1H2         G  15   4.918   3.499 -10.977
  164   2H2     G  15          2H2         G  15   3.726   4.732 -10.630
  165   1H5*    C  16          H5*         C  16   7.064  -2.218  -8.835
  166   2H5*    C  16          2H5*        C  16   7.801  -2.545  -7.254
  167    H4*    C  16           H4*        C  16   8.575  -0.433  -7.931
  168    H3*    C  16           H3*        C  16   6.513  -0.286  -5.762
  169    H2*    C  16          1H2*        C  16   6.597   2.118  -5.825
  170   2HO*    C  16          2HO*        C  16   9.065   1.666  -6.638
  171    H1*    C  16           H1*        C  16   6.533   2.344  -8.595
  172   1H4     C  16          1H4         C  16   0.359   0.748  -6.908
  173   2H4     C  16          2H4         C  16   0.391   2.486  -7.113
  174    H5     C  16           H5         C  16   2.354  -0.619  -7.029
  175    H6     C  16           H6         C  16   4.764  -0.596  -7.391
  176   1H5*    C  17          H5*         C  17   9.220   2.607  -5.104
  177   2H5*    C  17          2H5*        C  17  10.167   2.199  -3.660
  178    H4*    C  17           H4*        C  17   9.820   4.446  -3.397
  179    H3*    C  17           H3*        C  17   7.744   2.978  -1.813
  180    H2*    C  17          1H2*        C  17   6.731   5.076  -1.197
  181   2HO*    C  17          2HO*        C  17   9.215   5.961  -1.724
  182    H1*    C  17           H1*        C  17   6.692   6.117  -3.756
  183   1H4     C  17          1H4         C  17   2.165   1.315  -4.012
  184   2H4     C  17          2H4         C  17   1.283   2.812  -3.827
  185    H5     C  17           H5         C  17   4.575   1.187  -3.942
  186    H6     C  17           H6         C  17   6.635   2.468  -3.711
  187   1H5*    U  18          H5*         U  18   8.786   5.842   0.885
  188   2H5*    U  18          2H5*        U  18  10.032   5.069   1.884
  189    H4*    U  18           H4*        U  18   8.831   5.236   3.795
  190    H3*    U  18           H3*        U  18   6.701   4.098   2.742
  191    H2*    U  18          1H2*        U  18   5.952   5.860   1.296
  192   2HO*    U  18          2HO*        U  18   4.309   5.462   2.962
  193    H1*    U  18           H1*        U  18   6.440   8.007   3.387
  194    H3     U  18           H3         U  18   6.693  11.375   0.502
  195    H5     U  18           H5         U  18   7.200   8.013  -1.958
  196    H6     U  18           H6         U  18   7.141   6.650   0.012
  197   1H5*    U  19          H5*         U  19   5.521   6.368   6.720
  198   2H5*    U  19          2H5*        U  19   4.183   5.546   7.545
  199    H4*    U  19           H4*        U  19   4.088   8.061   7.471
  200    H3*    U  19           H3*        U  19   1.769   6.372   6.571
  201    H2*    U  19          1H2*        U  19   0.554   8.378   6.056
  202   2HO*    U  19          2HO*        U  19   1.881   9.330   8.075
  203    H1*    U  19           H1*        U  19   2.755   9.765   4.952
  204    H3     U  19           H3         U  19  -0.118   9.042   1.510
  205    H5     U  19           H5         U  19   1.994   5.441   1.951
  206    H6     U  19           H6         U  19   2.937   6.331   3.979
  207   1H5*    G  20          H5*         G  20  -0.520   8.911   7.849
  208   2H5*    G  20          2H5*        G  20  -1.075   8.386   9.449
  209    H4*    G  20           H4*        G  20  -3.022   9.046   8.428
  210    H3*    G  20           H3*        G  20  -2.755   6.076   8.218
  211    H2*    G  20          1H2*        G  20  -4.766   5.971   6.878
  212   2HO*    G  20          2HO*        G  20  -5.238   8.319   8.105
  213    H1*    G  20           H1*        G  20  -4.001   7.918   5.105
  214    H8     G  20           H8         G  20  -0.695   6.715   6.076
  215    H1     G  20           H1         G  20  -3.792   2.467   2.410
  216   1H2     G  20          1H2         G  20  -6.582   4.396   3.073
  217   2H2     G  20          2H2         G  20  -5.927   2.984   2.274
  218   1H5*    U  21          H5*         U  21  -6.614   6.128   9.126
  219   2H5*    U  21          2H5*        U  21  -6.949   5.167  10.580
  220    H4*    U  21           H4*        U  21  -8.322   4.382   8.794
  221    H3*    U  21           H3*        U  21  -6.182   2.501   9.706
  222    H2*    U  21          1H2*        U  21  -6.772   0.934   7.984
  223   2HO*    U  21          2HO*        U  21  -9.154   2.152   8.234
  224    H1*    U  21           H1*        U  21  -7.021   2.789   5.929
  225    H3     U  21           H3         U  21  -3.101   0.484   5.335
  226    H5     U  21           H5         U  21  -2.161   3.766   7.762
  227    H6     U  21           H6         U  21  -4.519   4.185   7.984
  228   1H5*    U  22          H5*         U  22  -9.782   0.459   8.784
  229   2H5*    U  22          2H5*        U  22 -10.406  -0.124  10.340
  230    H4*    U  22           H4*        U  22 -10.915  -1.857   8.930
  231    H3*    U  22           H3*        U  22  -8.336  -2.485  10.319
  232    H2*    U  22          1H2*        U  22  -8.156  -4.530   9.047
  233   2HO*    U  22          2HO*        U  22 -10.807  -4.255   8.933
  234    H1*    U  22           H1*        U  22  -8.711  -3.371   6.597
  235    H3     U  22           H3         U  22  -4.195  -3.854   6.610
  236    H5     U  22           H5         U  22  -4.910  -0.315   8.747
  237    H6     U  22           H6         U  22  -7.254  -0.851   8.702
  238   1H5*    U  23          H5*         U  23 -10.263  -5.907  10.155
  239   2H5*    U  23          2H5*        U  23 -10.309  -6.795  11.690
  240    H4*    U  23           H4*        U  23  -9.395  -8.228  10.037
  241    H3*    U  23           H3*        U  23  -7.312  -7.245  11.980
  242    H2*    U  23          1H2*        U  23  -5.713  -8.642  10.823
  243   2HO*    U  23          2HO*        U  23  -7.934 -10.009  10.216
  244    H1*    U  23           H1*        U  23  -6.559  -7.875   8.263
  245    H3     U  23           H3         U  23  -2.526  -5.898   8.870
  246    H5     U  23           H5         U  23  -5.267  -3.395  10.841
  247    H6     U  23           H6         U  23  -6.938  -5.091  10.499
  248   1H5*    C  24          H5*         C  24  -6.671 -11.152  11.308
  249   2H5*    C  24          2H5*        C  24  -6.446 -12.069  12.811
  250    H4*    C  24           H4*        C  24  -4.657 -12.413  11.144
  251    H3*    C  24           H3*        C  24  -3.946 -11.362  13.867
  252    H2*    C  24          1H2*        C  24  -1.634 -11.309  13.206
  253   2HO*    C  24          2HO*        C  24  -2.421 -13.284  11.607
  254    H1*    C  24           H1*        C  24  -2.097 -10.222  10.665
  255   1H4     C  24          1H4         C  24  -2.551  -5.040  14.685
  256   2H4     C  24          2H4         C  24  -0.829  -5.336  14.548
  257    H5     C  24           H5         C  24  -4.210  -6.545  13.761
  258    H6     C  24           H6         C  24  -4.550  -8.627  12.536
  259   1H5*    C  25          H5*         C  25  -1.127 -14.457  12.759
  260   2H5*    C  25          2H5*        C  25  -1.336 -15.695  14.014
  261    H4*    C  25           H4*        C  25   0.968 -15.516  13.694
  262    H3*    C  25           H3*        C  25   0.078 -14.145  16.202
  263    H2*    C  25          1H2*        C  25   2.318 -13.377  16.611
  264   2HO*    C  25          2HO*        C  25   3.433 -14.492  14.326
  265    H1*    C  25           H1*        C  25   2.845 -12.566  14.001
  266   1H4     C  25          1H4         C  25  -1.109  -7.910  16.514
  267   2H4     C  25          2H4         C  25   0.522  -7.282  16.577
  268    H5     C  25           H5         C  25  -1.614 -10.168  15.786
  269    H6     C  25           H6         C  25  -0.660 -12.261  14.976
  270    H3T    C  25           H3T        C  25   1.944 -16.143  16.115
  Start of MODEL   23
    1   1H5*    G   1          H5*         G   1   6.882  -0.121  14.240
    2   2H5*    G   1          2H5*        G   1   7.870  -0.749  15.572
    3    H4*    G   1           H4*        G   1   9.541  -1.012  13.421
    4    H3*    G   1           H3*        G   1   6.752  -1.326  12.376
    5    H2*    G   1          1H2*        G   1   7.390  -3.363  11.254
    6   2HO*    G   1          2HO*        G   1   9.394  -3.437  10.572
    7    H1*    G   1           H1*        G   1   8.687  -4.483  13.419
    8    H8     G   1           H8         G   1   5.839  -2.223  14.516
    9    H1     G   1           H1         G   1   4.130  -8.273  13.264
   10   1H2     G   1          1H2         G   1   7.347  -8.614  12.048
   11   2H2     G   1          2H2         G   1   5.796  -9.370  12.360
   12    H5T    G   1           H5T        G   1   8.949   1.041  13.674
   13   1H5*    G   2          H5*         G   2   9.445  -1.880   9.238
   14   2H5*    G   2          2H5*        G   2   8.839  -1.340   7.660
   15    H4*    G   2           H4*        G   2   9.416  -3.695   7.630
   16    H3*    G   2           H3*        G   2   6.546  -2.967   7.177
   17    H2*    G   2          1H2*        G   2   5.973  -5.302   7.019
   18   2HO*    G   2          2HO*        G   2   7.516  -6.878   6.811
   19    H1*    G   2           H1*        G   2   7.413  -6.106   9.247
   20    H8     G   2           H8         G   2   6.063  -2.618   9.772
   21    H1     G   2           H1         G   2   1.938  -7.304  11.218
   22   1H2     G   2          1H2         G   2   4.230  -9.386   9.671
   23   2H2     G   2          2H2         G   2   2.687  -9.236  10.484
   24   1H5*    A   3          H5*         A   3   7.307  -5.997   4.943
   25   2H5*    A   3          2H5*        A   3   7.067  -5.734   3.204
   26    H4*    A   3           H4*        A   3   5.941  -7.703   3.590
   27    H3*    A   3           H3*        A   3   3.971  -5.437   3.623
   28    H2*    A   3          1H2*        A   3   2.211  -7.026   4.085
   29   2HO*    A   3          2HO*        A   3   3.847  -8.681   2.839
   30    H1*    A   3           H1*        A   3   3.589  -8.348   6.097
   31    H8     A   3           H8         A   3   4.488  -4.660   6.038
   32   1H6     A   3          1H6         A   3   1.152  -3.106   9.203
   33   2H6     A   3          2H6         A   3  -0.243  -3.851   9.950
   34    H2     A   3           H2         A   3  -0.418  -8.057   8.399
   35   1H5*    A   4          H5*         A   4   2.215  -8.289   1.515
   36   2H5*    A   4          2H5*        A   4   1.838  -7.799  -0.148
   37    H4*    A   4           H4*        A   4  -0.141  -8.720   0.548
   38    H3*    A   4           H3*        A   4  -0.286  -5.750   0.934
   39    H2*    A   4          1H2*        A   4  -2.496  -5.998   1.873
   40   2HO*    A   4          2HO*        A   4  -3.676  -7.677   1.335
   41    H1*    A   4           H1*        A   4  -1.803  -8.035   3.607
   42    H8     A   4           H8         A   4   1.176  -5.755   3.078
   43   1H6     A   4          1H6         A   4   0.287  -2.618   6.665
   44   2H6     A   4          2H6         A   4  -1.075  -2.348   7.732
   45    H2     A   4           H2         A   4  -4.158  -5.419   6.628
   46   1H5*    G   5          H5*         G   5  -3.626  -7.090  -0.445
   47   2H5*    G   5          2H5*        G   5  -4.483  -6.217  -1.731
   48    H4*    G   5           H4*        G   5  -5.952  -6.522   0.128
   49    H3*    G   5           H3*        G   5  -5.070  -3.662  -0.240
   50    H2*    G   5          1H2*        G   5  -6.582  -3.087   1.558
   51   2HO*    G   5          2HO*        G   5  -7.855  -5.248   0.713
   52    H1*    G   5           H1*        G   5  -5.762  -5.214   3.195
   53    H8     G   5           H8         G   5  -2.651  -4.077   1.573
   54    H1     G   5           H1         G   5  -4.667  -0.071   6.155
   55   1H2     G   5          1H2         G   5  -7.627  -1.835   5.971
   56   2H2     G   5          2H2         G   5  -6.731  -0.527   6.713
   57   1H5*    C   6          H5*         C   6  -9.021  -3.228   0.289
   58   2H5*    C   6          2H5*        C   6  -9.709  -2.817  -1.295
   59    H4*    C   6           H4*        C   6 -10.820  -1.381   0.103
   60    H3*    C   6           H3*        C   6  -8.498   0.035  -1.139
   61    H2*    C   6          1H2*        C   6  -8.924   1.991   0.183
   62   2HO*    C   6          2HO*        C   6 -10.931   2.414   0.685
   63    H1*    C   6           H1*        C   6  -9.372   0.657   2.584
   64   1H4     C   6          1H4         C   6  -2.831   0.415   1.828
   65   2H4     C   6          2H4         C   6  -3.150   1.861   2.758
   66    H5     C   6           H5         C   6  -4.585  -0.954   0.878
   67    H6     C   6           H6         C   6  -6.997  -1.221   0.640
   68   1H5*    A   7          H5*         A   7 -11.352   2.263  -1.141
   69   2H5*    A   7          2H5*        A   7 -12.065   3.198  -2.470
   70    H4*    A   7           H4*        A   7 -11.551   4.831  -0.941
   71    H3*    A   7           H3*        A   7  -9.220   4.662  -2.846
   72    H2*    A   7          1H2*        A   7  -8.216   6.479  -1.619
   73   2HO*    A   7          2HO*        A   7 -10.670   7.212  -1.260
   74    H1*    A   7           H1*        A   7  -8.950   5.462   0.914
   75    H8     A   7           H8         A   7  -7.674   2.704  -1.323
   76   1H6     A   7          1H6         A   7  -2.933   3.065  -0.230
   77   2H6     A   7          2H6         A   7  -2.014   4.256   0.670
   78    H2     A   7           H2         A   7  -4.880   7.376   2.085
   79   1H5*    G   8          H5*         G   8  -7.236   6.361  -4.982
   80   2H5*    G   8          2H5*        G   8  -7.761   5.757  -3.401
   81    H4*    G   8           H4*        G   8  -7.259   8.480  -3.038
   82    H3*    G   8           H3*        G   8  -5.404   7.435  -5.078
   83    H2*    G   8          1H2*        G   8  -3.426   7.897  -3.836
   84   2HO*    G   8          2HO*        G   8  -4.902   9.908  -2.949
   85    H1*    G   8           H1*        G   8  -4.262   7.134  -1.329
   86    H8     G   8           H8         G   8  -6.057   4.661  -3.226
   87    H1     G   8           H1         G   8   0.252   3.519  -3.343
   88   1H2     G   8          1H2         G   8   0.556   6.751  -2.181
   89   2H2     G   8          2H2         G   8   1.364   5.280  -2.680
   90   1H5*    G   9          H5*         G   9  -3.498  10.545  -4.475
   91   2H5*    G   9          2H5*        G   9  -3.436  11.697  -5.824
   92    H4*    G   9           H4*        G   9  -1.215  11.343  -5.373
   93    H3*    G   9           H3*        G   9  -1.982   9.453  -7.589
   94    H2*    G   9          1H2*        G   9   0.318   8.715  -7.625
   95   2HO*    G   9          2HO*        G   9   0.740  11.164  -6.691
   96    H1*    G   9           H1*        G   9   0.524   8.517  -4.835
   97    H8     G   9           H8         G   9  -2.910   7.423  -5.831
   98    H1     G   9           H1         G   9   1.582   2.914  -6.645
   99   1H2     G   9          1H2         G   9   3.819   5.476  -6.057
  100   2H2     G   9          2H2         G   9   3.583   3.779  -6.413
  101   1H5*    C  10          H5*         C  10   1.247  11.685  -8.645
  102   2H5*    C  10          2H5*        C  10   1.312  12.328 -10.298
  103    H4*    C  10           H4*        C  10   3.340  11.232  -9.999
  104    H3*    C  10           H3*        C  10   1.472   9.491 -11.585
  105    H2*    C  10          1H2*        C  10   3.257   7.863 -11.739
  106   2HO*    C  10          2HO*        C  10   4.753  10.085 -11.146
  107    H1*    C  10           H1*        C  10   3.882   7.967  -9.029
  108   1H4     C  10          1H4         C  10  -1.814   4.622  -9.554
  109   2H4     C  10          2H4         C  10  -0.549   3.472  -9.260
  110    H5     C  10           H5         C  10  -1.360   7.015  -9.784
  111    H6     C  10           H6         C  10   0.394   8.707  -9.854
  112   1H5*    U  11          H5*         U  11   4.522   9.681 -13.686
  113   2H5*    U  11          2H5*        U  11   4.581  10.031 -15.424
  114    H4*    U  11           H4*        U  11   5.473   7.887 -15.202
  115    H3*    U  11           H3*        U  11   2.604   7.685 -16.108
  116    H2*    U  11          1H2*        U  11   2.892   5.305 -16.197
  117   2HO*    U  11          2HO*        U  11   5.257   4.702 -15.501
  118    H1*    U  11           H1*        U  11   4.465   5.176 -13.829
  119    H3     U  11           H3         U  11   0.600   2.834 -13.147
  120    H5     U  11           H5         U  11  -0.251   6.836 -12.170
  121    H6     U  11           H6         U  11   1.869   7.441 -13.125
  122   1H5*    U  12          H5*         U  12   3.285   6.150 -21.184
  123   2H5*    U  12          2H5*        U  12   2.114   5.212 -20.237
  124    H4*    U  12           H4*        U  12   3.535   3.836 -21.707
  125    H3*    U  12           H3*        U  12   2.694   3.031 -19.308
  126    H2*    U  12          1H2*        U  12   4.549   3.866 -18.001
  127   2HO*    U  12          2HO*        U  12   4.866   1.220 -18.838
  128    H1*    U  12           H1*        U  12   6.483   2.845 -20.146
  129    H3     U  12           H3         U  12   9.812   4.395 -17.572
  130    H5     U  12           H5         U  12   7.253   7.700 -17.959
  131    H6     U  12           H6         U  12   5.699   6.264 -19.104
  132   1H5*    C  13          H5*         C  13   4.059  -0.575 -17.968
  133   2H5*    C  13          2H5*        C  13   2.970  -1.594 -18.928
  134    H4*    C  13           H4*        C  13   2.871  -1.971 -16.473
  135    H3*    C  13           H3*        C  13   0.810  -2.321 -18.089
  136    H2*    C  13          1H2*        C  13   0.057  -0.006 -18.132
  137   2HO*    C  13          2HO*        C  13  -1.596  -1.553 -17.239
  138    H1*    C  13           H1*        C  13   0.345   0.079 -15.086
  139   1H4     C  13          1H4         C  13   0.870   6.306 -17.195
  140   2H4     C  13          2H4         C  13  -0.534   6.250 -16.154
  141    H5     C  13           H5         C  13   2.131   4.326 -17.793
  142    H6     C  13           H6         C  13   2.294   1.912 -17.530
  143   1H5*    G  14          H5*         G  14   2.096  -3.831 -17.584
  144   2H5*    G  14          2H5*        G  14   2.158  -5.522 -18.114
  145    H4*    G  14           H4*        G  14   3.723  -6.039 -16.639
  146    H3*    G  14           H3*        G  14   2.041  -4.664 -14.558
  147    H2*    G  14          1H2*        G  14   3.954  -4.409 -13.184
  148   2HO*    G  14          2HO*        G  14   4.698  -6.500 -13.187
  149    H1*    G  14           H1*        G  14   5.856  -4.269 -15.370
  150    H8     G  14           H8         G  14   7.025  -2.129 -14.850
  151    H1     G  14           H1         G  14   1.609   0.701 -12.901
  152   1H2     G  14          1H2         G  14   0.117  -2.336 -13.713
  153   2H2     G  14          2H2         G  14  -0.098  -0.714 -13.093
  154   1H5*    G  15          H5*         G  15   2.079  -5.681 -10.329
  155   2H5*    G  15          2H5*        G  15   1.855  -4.651 -11.756
  156    H4*    G  15           H4*        G  15   4.651  -5.178 -11.053
  157    H3*    G  15           H3*        G  15   2.880  -3.941  -8.996
  158    H2*    G  15          1H2*        G  15   4.423  -2.117  -8.679
  159   2HO*    G  15          2HO*        G  15   6.122  -3.630 -10.405
  160    H1*    G  15           H1*        G  15   4.810  -1.572 -11.351
  161    H8     G  15           H8         G  15   1.329  -2.927 -11.014
  162    H1     G  15           H1         G  15   1.813   3.315  -9.684
  163   1H2     G  15          1H2         G  15   5.218   2.756  -9.821
  164   2H2     G  15          2H2         G  15   3.931   3.926  -9.626
  165   1H5*    C  16          H5*         C  16   6.632  -4.045  -7.335
  166   2H5*    C  16          2H5*        C  16   6.665  -4.475  -5.614
  167    H4*    C  16           H4*        C  16   7.687  -2.341  -5.894
  168    H3*    C  16           H3*        C  16   5.023  -2.255  -4.509
  169    H2*    C  16          1H2*        C  16   5.240   0.137  -4.322
  170   2HO*    C  16          2HO*        C  16   7.817  -0.447  -4.349
  171    H1*    C  16           H1*        C  16   6.115   0.536  -6.940
  172   1H4     C  16          1H4         C  16  -0.381  -0.537  -7.430
  173   2H4     C  16          2H4         C  16  -0.143   1.199  -7.483
  174    H5     C  16           H5         C  16   1.441  -2.084  -7.019
  175    H6     C  16           H6         C  16   3.834  -2.276  -6.598
  176   1H5*    C  17          H5*         C  17   7.949   0.254  -2.802
  177   2H5*    C  17          2H5*        C  17   8.132  -0.150  -1.085
  178    H4*    C  17           H4*        C  17   8.157   2.165  -1.136
  179    H3*    C  17           H3*        C  17   5.453   1.189  -0.287
  180    H2*    C  17          1H2*        C  17   4.688   3.468  -0.154
  181   2HO*    C  17          2HO*        C  17   6.814   4.238   0.602
  182    H1*    C  17           H1*        C  17   5.613   4.186  -2.648
  183   1H4     C  17          1H4         C  17   0.747  -0.094  -3.951
  184   2H4     C  17          2H4         C  17   0.086   1.496  -4.240
  185    H5     C  17           H5         C  17   2.947  -0.467  -3.052
  186    H6     C  17           H6         C  17   4.990   0.603  -2.272
  187   1H5*    U  18          H5*         U  18   7.841   4.450   2.061
  188   2H5*    U  18          2H5*        U  18   7.675   3.817   3.710
  189    H4*    U  18           H4*        U  18   7.498   5.985   4.211
  190    H3*    U  18           H3*        U  18   5.013   4.905   4.324
  191    H2*    U  18          1H2*        U  18   4.173   5.665   2.230
  192   2HO*    U  18          2HO*        U  18   3.734   7.509   4.254
  193    H1*    U  18           H1*        U  18   5.707   8.296   2.525
  194    H3     U  18           H3         U  18   5.296   9.541  -1.731
  195    H5     U  18           H5         U  18   4.288   5.470  -1.844
  196    H6     U  18           H6         U  18   4.843   5.332   0.474
  197   1H5*    U  19          H5*         U  19   3.948   9.248   4.706
  198   2H5*    U  19          2H5*        U  19   4.219   9.302   6.459
  199    H4*    U  19           H4*        U  19   2.535  10.756   6.440
  200    H3*    U  19           H3*        U  19   1.099   8.125   6.390
  201    H2*    U  19          1H2*        U  19  -0.997   9.284   6.091
  202   2HO*    U  19          2HO*        U  19   0.384  11.273   7.264
  203    H1*    U  19           H1*        U  19  -0.089  10.973   4.090
  204    H3     U  19           H3         U  19  -2.291   7.992   1.566
  205    H5     U  19           H5         U  19   1.087   5.867   2.865
  206    H6     U  19           H6         U  19   1.641   7.749   4.258
  207   1H5*    G  20          H5*         G  20  -1.067  10.258   8.262
  208   2H5*    G  20          2H5*        G  20  -1.508   9.915   9.946
  209    H4*    G  20           H4*        G  20  -3.531  10.271   8.896
  210    H3*    G  20           H3*        G  20  -3.072   7.313   9.129
  211    H2*    G  20          1H2*        G  20  -5.226   6.972   8.075
  212   2HO*    G  20          2HO*        G  20  -5.687   9.397   9.083
  213    H1*    G  20           H1*        G  20  -4.755   8.767   6.008
  214    H8     G  20           H8         G  20  -1.393   7.447   6.643
  215    H1     G  20           H1         G  20  -5.185   3.223   3.656
  216   1H2     G  20          1H2         G  20  -7.743   5.367   4.596
  217   2H2     G  20          2H2         G  20  -7.286   3.887   3.789
  218   1H5*    U  21          H5*         U  21  -6.720   6.893  10.298
  219   2H5*    U  21          2H5*        U  21  -6.725   5.931  11.789
  220    H4*    U  21           H4*        U  21  -7.916   4.793  10.018
  221    H3*    U  21           H3*        U  21  -5.386   3.478  10.974
  222    H2*    U  21          1H2*        U  21  -5.788   1.686   9.418
  223   2HO*    U  21          2HO*        U  21  -8.314   2.400   9.811
  224    H1*    U  21           H1*        U  21  -6.536   3.352   7.288
  225    H3     U  21           H3         U  21  -2.481   1.644   6.164
  226    H5     U  21           H5         U  21  -1.636   4.829   8.765
  227    H6     U  21           H6         U  21  -3.994   4.996   9.210
  228   1H5*    U  22          H5*         U  22  -9.160   0.679  11.579
  229   2H5*    U  22          2H5*        U  22  -8.672  -0.346  12.942
  230    H4*    U  22           H4*        U  22  -9.606  -1.578  11.000
  231    H3*    U  22           H3*        U  22  -6.861  -2.249  12.019
  232    H2*    U  22          1H2*        U  22  -6.675  -3.932  10.302
  233   2HO*    U  22          2HO*        U  22  -9.266  -3.317   9.345
  234    H1*    U  22           H1*        U  22  -7.650  -2.330   8.246
  235    H3     U  22           H3         U  22  -3.148  -2.749   7.680
  236    H5     U  22           H5         U  22  -3.655   0.506  10.282
  237    H6     U  22           H6         U  22  -5.980  -0.098  10.451
  238   1H5*    U  23          H5*         U  23  -9.016  -5.873  11.050
  239   2H5*    U  23          2H5*        U  23  -8.855  -6.935  12.462
  240    H4*    U  23           H4*        U  23  -8.341  -8.197  10.517
  241    H3*    U  23           H3*        U  23  -5.956  -7.591  12.237
  242    H2*    U  23          1H2*        U  23  -4.561  -8.791  10.669
  243   2HO*    U  23          2HO*        U  23  -5.399 -10.258   9.362
  244    H1*    U  23           H1*        U  23  -5.592  -7.557   8.415
  245    H3     U  23           H3         U  23  -1.691  -5.385   9.001
  246    H5     U  23           H5         U  23  -4.244  -3.708  11.883
  247    H6     U  23           H6         U  23  -5.856  -5.402  11.321
  248   1H5*    C  24          H5*         C  24  -5.493 -11.342  10.782
  249   2H5*    C  24          2H5*        C  24  -5.189 -12.487  12.103
  250    H4*    C  24           H4*        C  24  -3.533 -12.778  10.398
  251    H3*    C  24           H3*        C  24  -2.541 -11.642  12.990
  252    H2*    C  24          1H2*        C  24  -0.330 -11.477  12.080
  253   2HO*    C  24          2HO*        C  24   0.137 -13.173  10.859
  254    H1*    C  24           H1*        C  24  -1.110 -10.542   9.552
  255   1H4     C  24          1H4         C  24  -1.290  -5.150  13.311
  256   2H4     C  24          2H4         C  24   0.340  -5.246  12.683
  257    H5     C  24           H5         C  24  -2.913  -6.931  12.993
  258    H6     C  24           H6         C  24  -3.296  -9.122  11.994
  259   1H5*    C  25          H5*         C  25  -0.207 -14.991  11.770
  260   2H5*    C  25          2H5*        C  25   0.134 -16.115  13.100
  261    H4*    C  25           H4*        C  25   2.180 -15.707  12.014
  262    H3*    C  25           H3*        C  25   1.951 -14.360  14.674
  263    H2*    C  25          1H2*        C  25   4.076 -13.285  14.368
  264   2HO*    C  25          2HO*        C  25   4.686 -15.414  13.066
  265    H1*    C  25           H1*        C  25   3.667 -12.516  11.726
  266   1H4     C  25          1H4         C  25   0.013  -8.353  15.328
  267   2H4     C  25          2H4         C  25   1.456  -7.485  14.847
  268    H5     C  25           H5         C  25  -0.322 -10.701  14.837
  269    H6     C  25           H6         C  25   0.641 -12.671  13.772
  270    H3T    C  25           H3T        C  25   2.276 -16.536  14.586
  Start of MODEL   24
    1   1H5*    G   1          H5*         G   1   8.432   0.367  12.480
    2   2H5*    G   1          2H5*        G   1   8.002   0.057  14.172
    3    H4*    G   1           H4*        G   1  10.340  -1.291  12.860
    4    H3*    G   1           H3*        G   1   7.459  -2.087  12.585
    5    H2*    G   1          1H2*        G   1   8.095  -4.391  12.913
    6   2HO*    G   1          2HO*        G   1  10.281  -3.773  11.798
    7    H1*    G   1           H1*        G   1   9.643  -3.913  15.145
    8    H8     G   1           H8         G   1   7.097  -1.301  15.462
    9    H1     G   1           H1         G   1   4.721  -7.125  16.680
   10   1H2     G   1          1H2         G   1   7.677  -8.278  15.305
   11   2H2     G   1          2H2         G   1   6.140  -8.678  16.038
   12    H5T    G   1           H5T        G   1   9.428   1.809  14.029
   13   1H5*    G   2          H5*         G   2   9.580  -4.630   9.924
   14   2H5*    G   2          2H5*        G   2   8.815  -4.570   8.323
   15    H4*    G   2           H4*        G   2   9.175  -6.852   9.000
   16    H3*    G   2           H3*        G   2   6.324  -5.966   8.741
   17    H2*    G   2          1H2*        G   2   5.592  -8.167   9.430
   18   2HO*    G   2          2HO*        G   2   7.792  -8.972   8.371
   19    H1*    G   2           H1*        G   2   7.222  -8.298  11.641
   20    H8     G   2           H8         G   2   6.762  -4.710  11.644
   21    H1     G   2           H1         G   2   1.308  -7.726  13.125
   22   1H2     G   2          1H2         G   2   2.892 -10.550  11.896
   23   2H2     G   2          2H2         G   2   1.442  -9.863  12.590
   24   1H5*    A   3          H5*         A   3   6.338  -9.557   6.577
   25   2H5*    A   3          2H5*        A   3   6.126  -9.128   4.868
   26    H4*    A   3           H4*        A   3   4.711 -10.918   5.110
   27    H3*    A   3           H3*        A   3   3.131  -8.389   5.358
   28    H2*    A   3          1H2*        A   3   1.136  -9.675   5.850
   29   2HO*    A   3          2HO*        A   3   2.289 -11.531   4.476
   30    H1*    A   3           H1*        A   3   2.280 -11.120   7.864
   31    H8     A   3           H8         A   3   4.436  -8.166   8.018
   32   1H6     A   3          1H6         A   3   1.587  -5.091  10.466
   33   2H6     A   3          2H6         A   3  -0.120  -5.096  10.866
   34    H2     A   3           H2         A   3  -1.829  -8.883   9.202
   35   1H5*    A   4          H5*         A   4   1.000 -10.806   2.894
   36   2H5*    A   4          2H5*        A   4   0.299 -10.035   1.459
   37    H4*    A   4           H4*        A   4  -1.399 -11.153   2.771
   38    H3*    A   4           H3*        A   4  -1.593  -8.177   2.499
   39    H2*    A   4          1H2*        A   4  -3.531  -8.155   3.927
   40   2HO*    A   4          2HO*        A   4  -3.771 -10.652   2.998
   41    H1*    A   4           H1*        A   4  -2.499  -9.867   5.857
   42    H8     A   4           H8         A   4   0.557  -8.089   5.015
   43   1H6     A   4          1H6         A   4  -0.113  -3.971   7.510
   44   2H6     A   4          2H6         A   4  -1.516  -3.221   8.238
   45    H2     A   4           H2         A   4  -4.969  -5.998   7.522
   46   1H5*    G   5          H5*         G   5  -5.338  -9.233   2.954
   47   2H5*    G   5          2H5*        G   5  -5.965  -9.341   1.298
   48    H4*    G   5           H4*        G   5  -7.730  -8.425   2.446
   49    H3*    G   5           H3*        G   5  -6.186  -6.170   1.189
   50    H2*    G   5          1H2*        G   5  -7.771  -4.629   2.147
   51   2HO*    G   5          2HO*        G   5  -9.386  -6.725   1.951
   52    H1*    G   5           H1*        G   5  -7.837  -5.872   4.662
   53    H8     G   5           H8         G   5  -4.315  -6.018   3.444
   54    H1     G   5           H1         G   5  -5.980  -0.319   5.870
   55   1H2     G   5          1H2         G   5  -9.190  -1.557   5.758
   56   2H2     G   5          2H2         G   5  -8.137  -0.220   6.171
   57   1H5*    C   6          H5*         C   6 -10.042  -5.417   0.496
   58   2H5*    C   6          2H5*        C   6 -10.427  -5.391  -1.237
   59    H4*    C   6           H4*        C   6 -11.499  -3.516  -0.464
   60    H3*    C   6           H3*        C   6  -8.841  -2.715  -1.592
   61    H2*    C   6          1H2*        C   6  -9.232  -0.437  -0.923
   62   2HO*    C   6          2HO*        C   6 -11.681  -0.950  -1.381
   63    H1*    C   6           H1*        C   6 -10.179  -1.037   1.624
   64   1H4     C   6          1H4         C   6  -3.639  -1.896   1.931
   65   2H4     C   6          2H4         C   6  -3.982  -0.353   2.679
   66    H5     C   6           H5         C   6  -5.339  -3.245   0.856
   67    H6     C   6           H6         C   6  -7.708  -3.388   0.295
   68   1H5*    A   7          H5*         A   7  -9.639   0.794  -5.407
   69   2H5*    A   7          2H5*        A   7  -8.418   0.322  -4.208
   70    H4*    A   7           H4*        A   7 -10.627   2.345  -3.900
   71    H3*    A   7           H3*        A   7  -7.682   2.627  -4.279
   72    H2*    A   7          1H2*        A   7  -7.537   4.302  -2.567
   73   2HO*    A   7          2HO*        A   7 -10.016   4.790  -3.347
   74    H1*    A   7           H1*        A   7  -9.180   3.053  -0.713
   75    H8     A   7           H8         A   7  -7.587   0.068  -1.996
   76   1H6     A   7          1H6         A   7  -3.279   0.305   0.257
   77   2H6     A   7          2H6         A   7  -2.456   1.592   1.117
   78    H2     A   7           H2         A   7  -5.110   5.188   0.980
   79   1H5*    G   8          H5*         G   8  -8.490   6.269  -3.123
   80   2H5*    G   8          2H5*        G   8  -8.487   7.250  -4.601
   81    H4*    G   8           H4*        G   8  -7.298   8.426  -2.921
   82    H3*    G   8           H3*        G   8  -5.633   7.386  -5.170
   83    H2*    G   8          1H2*        G   8  -3.618   8.145  -4.096
   84   2HO*    G   8          2HO*        G   8  -5.169   9.998  -3.155
   85    H1*    G   8           H1*        G   8  -4.228   7.223  -1.558
   86    H8     G   8           H8         G   8  -5.775   4.762  -3.858
   87    H1     G   8           H1         G   8   0.554   3.960  -3.192
   88   1H2     G   8          1H2         G   8   0.494   7.067  -1.698
   89   2H2     G   8          2H2         G   8   1.456   5.702  -2.212
   90   1H5*    G   9          H5*         G   9  -4.030  10.884  -4.947
   91   2H5*    G   9          2H5*        G   9  -4.069  11.812  -6.459
   92    H4*    G   9           H4*        G   9  -1.814  11.675  -5.895
   93    H3*    G   9           H3*        G   9  -2.407   9.587  -7.992
   94    H2*    G   9          1H2*        G   9  -0.058   9.065  -7.974
   95   2HO*    G   9          2HO*        G   9   1.335  10.595  -7.504
   96    H1*    G   9           H1*        G   9   0.164   9.186  -5.160
   97    H8     G   9           H8         G   9  -3.005   7.411  -5.807
   98    H1     G   9           H1         G   9   2.160   3.820  -7.049
   99   1H2     G   9          1H2         G   9   3.904   6.783  -6.765
  100   2H2     G   9          2H2         G   9   3.969   5.062  -7.067
  101   1H5*    C  10          H5*         C  10   1.102  11.843  -8.657
  102   2H5*    C  10          2H5*        C  10   0.966  12.591 -10.260
  103    H4*    C  10           H4*        C  10   3.191  11.877 -10.038
  104    H3*    C  10           H3*        C  10   1.606  10.105 -11.866
  105    H2*    C  10          1H2*        C  10   3.553   8.733 -12.192
  106   2HO*    C  10          2HO*        C  10   4.815  10.978 -11.850
  107    H1*    C  10           H1*        C  10   4.336   8.706  -9.500
  108   1H4     C  10          1H4         C  10  -0.606   4.361  -9.973
  109   2H4     C  10          2H4         C  10   0.862   3.448 -10.219
  110    H5     C  10           H5         C  10  -0.631   6.776  -9.769
  111    H6     C  10           H6         C  10   0.747   8.787  -9.770
  112   1H5*    U  11          H5*         U  11   4.359  10.820 -14.057
  113   2H5*    U  11          2H5*        U  11   4.256  11.480 -15.701
  114    H4*    U  11           H4*        U  11   5.160   9.347 -15.958
  115    H3*    U  11           H3*        U  11   2.239   9.345 -16.657
  116    H2*    U  11          1H2*        U  11   2.314   7.000 -17.015
  117   2HO*    U  11          2HO*        U  11   4.540   6.019 -17.094
  118    H1*    U  11           H1*        U  11   4.404   6.479 -15.077
  119    H3     U  11           H3         U  11   1.052   3.656 -13.900
  120    H5     U  11           H5         U  11  -0.157   7.447 -12.533
  121    H6     U  11           H6         U  11   1.696   8.391 -13.737
  122   1H5*    U  12          H5*         U  12   1.697   7.297 -19.572
  123   2H5*    U  12          2H5*        U  12   3.388   7.517 -19.082
  124    H4*    U  12           H4*        U  12   2.341   6.990 -21.860
  125    H3*    U  12           H3*        U  12   2.697   5.002 -20.177
  126    H2*    U  12          1H2*        U  12   4.859   5.651 -19.304
  127   2HO*    U  12          2HO*        U  12   4.838   3.529 -20.662
  128    H1*    U  12           H1*        U  12   5.891   6.208 -22.120
  129    H3     U  12           H3         U  12   9.681   7.526 -20.116
  130    H5     U  12           H5         U  12   6.722   9.833 -18.237
  131    H6     U  12           H6         U  12   5.074   8.570 -19.450
  132   1H5*    C  13          H5*         C  13   4.411   1.714 -20.833
  133   2H5*    C  13          2H5*        C  13   3.238   0.958 -21.923
  134    H4*    C  13           H4*        C  13   3.838  -0.233 -19.763
  135    H3*    C  13           H3*        C  13   1.633  -0.567 -21.223
  136    H2*    C  13          1H2*        C  13   0.263   1.143 -20.208
  137   2HO*    C  13          2HO*        C  13  -0.009  -1.010 -18.340
  138    H1*    C  13           H1*        C  13   1.303   0.395 -17.439
  139   1H4     C  13          1H4         C  13  -0.327   6.770 -17.155
  140   2H4     C  13          2H4         C  13  -1.398   5.933 -16.054
  141    H5     C  13           H5         C  13   1.222   5.603 -18.609
  142    H6     C  13           H6         C  13   2.066   3.414 -19.276
  143   1H5*    G  14          H5*         G  14   0.802  -2.281 -16.105
  144   2H5*    G  14          2H5*        G  14   1.703  -1.301 -17.258
  145    H4*    G  14           H4*        G  14   2.184  -4.194 -17.407
  146    H3*    G  14           H3*        G  14   2.752  -2.720 -14.877
  147    H2*    G  14          1H2*        G  14   5.019  -3.485 -14.826
  148   2HO*    G  14          2HO*        G  14   3.943  -5.560 -16.093
  149    H1*    G  14           H1*        G  14   5.562  -3.175 -17.541
  150    H8     G  14           H8         G  14   7.352  -1.516 -16.824
  151    H1     G  14           H1         G  14   2.910   2.521 -14.567
  152   1H2     G  14          1H2         G  14   0.705  -0.089 -15.132
  153   2H2     G  14          2H2         G  14   0.924   1.549 -14.570
  154   1H5*    G  15          H5*         G  15   4.725  -5.219 -13.384
  155   2H5*    G  15          2H5*        G  15   4.428  -5.193 -11.635
  156    H4*    G  15           H4*        G  15   6.511  -4.031 -12.489
  157    H3*    G  15           H3*        G  15   4.590  -2.766 -10.572
  158    H2*    G  15          1H2*        G  15   5.920  -0.753 -10.585
  159   2HO*    G  15          2HO*        G  15   7.798  -2.514 -11.617
  160    H1*    G  15           H1*        G  15   6.125  -0.585 -13.329
  161    H8     G  15           H8         G  15   2.870  -2.205 -12.924
  162    H1     G  15           H1         G  15   2.650   4.003 -11.400
  163   1H2     G  15          1H2         G  15   6.094   3.835 -11.450
  164   2H2     G  15          2H2         G  15   4.672   4.823 -11.207
  165   1H5*    C  16          H5*         C  16   8.198  -1.420  -9.687
  166   2H5*    C  16          2H5*        C  16   8.712  -2.035  -8.103
  167    H4*    C  16           H4*        C  16   9.343   0.198  -8.095
  168    H3*    C  16           H3*        C  16   6.794  -0.164  -6.549
  169    H2*    C  16          1H2*        C  16   6.766   2.212  -6.112
  170   2HO*    C  16          2HO*        C  16   9.419   1.909  -6.626
  171    H1*    C  16           H1*        C  16   7.317   2.961  -8.731
  172   1H4     C  16          1H4         C  16   1.037   0.933  -8.877
  173   2H4     C  16          2H4         C  16   0.981   2.641  -8.503
  174    H5     C  16           H5         C  16   3.115  -0.310  -8.995
  175    H6     C  16           H6         C  16   5.540  -0.160  -8.796
  176   1H5*    C  17          H5*         C  17   8.822   2.937  -4.843
  177   2H5*    C  17          2H5*        C  17   9.612   2.135  -3.471
  178    H4*    C  17           H4*        C  17   9.068   4.176  -2.590
  179    H3*    C  17           H3*        C  17   6.879   2.248  -1.869
  180    H2*    C  17          1H2*        C  17   5.768   4.066  -0.697
  181   2HO*    C  17          2HO*        C  17   6.792   5.951  -0.282
  182    H1*    C  17           H1*        C  17   5.933   5.810  -2.816
  183   1H4     C  17          1H4         C  17   1.676   1.241  -4.968
  184   2H4     C  17          2H4         C  17   0.694   2.512  -4.288
  185    H5     C  17           H5         C  17   4.087   1.219  -4.852
  186    H6     C  17           H6         C  17   6.056   2.418  -4.062
  187   1H5*    U  18          H5*         U  18   8.383   4.725   0.982
  188   2H5*    U  18          2H5*        U  18   8.398   4.269   2.696
  189    H4*    U  18           H4*        U  18   7.329   6.456   2.169
  190    H3*    U  18           H3*        U  18   6.616   4.774   4.163
  191    H2*    U  18          1H2*        U  18   4.739   3.704   3.163
  192   2HO*    U  18          2HO*        U  18   3.832   5.007   4.836
  193    H1*    U  18           H1*        U  18   3.933   6.245   1.683
  194    H3     U  18           H3         U  18   1.048   4.041  -0.886
  195    H5     U  18           H5         U  18   3.986   1.146  -0.108
  196    H6     U  18           H6         U  18   5.157   2.788   1.179
  197   1H5*    U  19          H5*         U  19   2.829   7.189   6.852
  198   2H5*    U  19          2H5*        U  19   3.022   6.486   5.234
  199    H4*    U  19           H4*        U  19   2.633   9.431   5.572
  200    H3*    U  19           H3*        U  19   0.451   7.385   5.838
  201    H2*    U  19          1H2*        U  19  -0.963   8.750   4.442
  202   2HO*    U  19          2HO*        U  19   0.367  10.701   5.500
  203    H1*    U  19           H1*        U  19   0.996   9.333   2.545
  204    H3     U  19           H3         U  19  -1.693   6.413   0.402
  205    H5     U  19           H5         U  19   0.631   4.010   2.941
  206    H6     U  19           H6         U  19   1.511   6.026   3.920
  207   1H5*    G  20          H5*         G  20  -1.669   7.704   5.939
  208   2H5*    G  20          2H5*        G  20  -1.950   9.450   6.082
  209    H4*    G  20           H4*        G  20  -4.126   9.167   6.841
  210    H3*    G  20           H3*        G  20  -3.392   6.364   7.577
  211    H2*    G  20          1H2*        G  20  -5.609   5.608   7.005
  212   2HO*    G  20          2HO*        G  20  -6.278   8.039   7.677
  213    H1*    G  20           H1*        G  20  -5.746   6.924   4.578
  214    H8     G  20           H8         G  20  -2.142   6.140   4.902
  215    H1     G  20           H1         G  20  -5.706   1.062   3.257
  216   1H2     G  20          1H2         G  20  -8.380   3.078   4.106
  217   2H2     G  20          2H2         G  20  -7.835   1.522   3.519
  218   1H5*    U  21          H5*         U  21  -6.503   6.928   9.947
  219   2H5*    U  21          2H5*        U  21  -6.457   6.227  11.576
  220    H4*    U  21           H4*        U  21  -8.101   5.076  10.295
  221    H3*    U  21           H3*        U  21  -5.650   3.453  10.905
  222    H2*    U  21          1H2*        U  21  -6.601   1.602   9.690
  223   2HO*    U  21          2HO*        U  21  -8.911   3.000  10.226
  224    H1*    U  21           H1*        U  21  -7.491   3.122   7.523
  225    H3     U  21           H3         U  21  -3.905   0.836   5.938
  226    H5     U  21           H5         U  21  -2.265   4.072   8.036
  227    H6     U  21           H6         U  21  -4.477   4.584   8.834
  228   1H5*    U  22          H5*         U  22  -8.858   1.238  11.194
  229   2H5*    U  22          2H5*        U  22  -9.206   0.663  12.836
  230    H4*    U  22           H4*        U  22  -9.657  -1.188  11.554
  231    H3*    U  22           H3*        U  22  -6.825  -1.456  12.544
  232    H2*    U  22          1H2*        U  22  -6.708  -3.570  11.395
  233   2HO*    U  22          2HO*        U  22  -8.477  -4.702  11.061
  234    H1*    U  22           H1*        U  22  -7.973  -2.643   9.062
  235    H3     U  22           H3         U  22  -3.683  -3.289   7.817
  236    H5     U  22           H5         U  22  -3.602   0.306   9.984
  237    H6     U  22           H6         U  22  -5.899  -0.096  10.584
  238   1H5*    U  23          H5*         U  23  -9.033  -4.759  12.746
  239   2H5*    U  23          2H5*        U  23  -9.132  -5.557  14.328
  240    H4*    U  23           H4*        U  23  -8.834  -7.298  12.828
  241    H3*    U  23           H3*        U  23  -6.204  -6.617  14.117
  242    H2*    U  23          1H2*        U  23  -5.189  -8.398  12.842
  243   2HO*    U  23          2HO*        U  23  -7.379  -9.602  13.058
  244    H1*    U  23           H1*        U  23  -6.416  -7.694  10.435
  245    H3     U  23           H3         U  23  -2.210  -6.259   9.753
  246    H5     U  23           H5         U  23  -3.810  -3.446  12.424
  247    H6     U  23           H6         U  23  -5.755  -4.852  12.619
  248   1H5*    C  24          H5*         C  24  -6.509 -10.577  14.538
  249   2H5*    C  24          2H5*        C  24  -5.933 -11.220  16.087
  250    H4*    C  24           H4*        C  24  -4.688 -12.194  14.280
  251    H3*    C  24           H3*        C  24  -3.102 -10.329  16.033
  252    H2*    C  24          1H2*        C  24  -1.157 -10.861  14.707
  253   2HO*    C  24          2HO*        C  24  -2.608 -13.099  14.222
  254    H1*    C  24           H1*        C  24  -2.485 -10.652  12.245
  255   1H4     C  24          1H4         C  24  -1.323  -4.437  14.132
  256   2H4     C  24          2H4         C  24   0.110  -4.955  13.263
  257    H5     C  24           H5         C  24  -3.141  -5.960  14.661
  258    H6     C  24           H6         C  24  -3.934  -8.259  14.465
  259   1H5*    C  25          H5*         C  25  -0.644 -13.394  15.421
  260   2H5*    C  25          2H5*        C  25  -0.568 -14.338  16.922
  261    H4*    C  25           H4*        C  25   1.615 -14.333  16.171
  262    H3*    C  25           H3*        C  25   1.271 -12.251  18.300
  263    H2*    C  25          1H2*        C  25   3.555 -11.565  18.011
  264   2HO*    C  25          2HO*        C  25   3.973 -14.035  17.459
  265    H1*    C  25           H1*        C  25   3.522 -11.592  15.220
  266   1H4     C  25          1H4         C  25   0.337  -6.055  16.877
  267   2H4     C  25          2H4         C  25   2.030  -5.624  16.769
  268    H5     C  25           H5         C  25  -0.439  -8.349  16.675
  269    H6     C  25           H6         C  25   0.252 -10.664  16.336
  270    H3T    C  25           H3T        C  25   1.278 -14.421  18.823
  Start of MODEL   25
    1   1H5*    G   1          H5*         G   1   7.582   0.392  16.706
    2   2H5*    G   1          2H5*        G   1   7.593  -0.483  18.249
    3    H4*    G   1           H4*        G   1   9.921  -1.106  16.652
    4    H3*    G   1           H3*        G   1   7.294  -1.337  15.239
    5    H2*    G   1          1H2*        G   1   7.827  -3.584  14.548
    6   2HO*    G   1          2HO*        G   1  10.258  -2.737  14.565
    7    H1*    G   1           H1*        G   1   8.724  -4.455  17.012
    8    H8     G   1           H8         G   1   6.057  -1.911  17.680
    9    H1     G   1           H1         G   1   3.780  -7.743  16.295
   10   1H2     G   1          1H2         G   1   7.038  -8.451  15.364
   11   2H2     G   1          2H2         G   1   5.398  -9.034  15.539
   12    H5T    G   1           H5T        G   1   9.414   0.495  18.825
   13   1H5*    G   2          H5*         G   2   9.904  -2.191  11.780
   14   2H5*    G   2          2H5*        G   2   8.984  -1.568  10.396
   15    H4*    G   2           H4*        G   2   9.368  -4.020  10.369
   16    H3*    G   2           H3*        G   2   6.552  -2.967  10.259
   17    H2*    G   2          1H2*        G   2   5.767  -5.246  10.141
   18   2HO*    G   2          2HO*        G   2   7.045  -6.676   9.237
   19    H1*    G   2           H1*        G   2   7.343  -6.159  12.231
   20    H8     G   2           H8         G   2   6.588  -2.716  13.285
   21    H1     G   2           H1         G   2   1.511  -6.600  13.772
   22   1H2     G   2          1H2         G   2   3.397  -8.790  11.878
   23   2H2     G   2          2H2         G   2   1.891  -8.482  12.713
   24   1H5*    A   3          H5*         A   3   7.182  -5.930   7.570
   25   2H5*    A   3          2H5*        A   3   6.782  -5.501   5.895
   26    H4*    A   3           H4*        A   3   5.936  -7.673   6.309
   27    H3*    A   3           H3*        A   3   3.830  -5.555   6.086
   28    H2*    A   3          1H2*        A   3   2.123  -7.196   6.532
   29   2HO*    A   3          2HO*        A   3   2.624  -9.091   5.663
   30    H1*    A   3           H1*        A   3   3.393  -8.337   8.705
   31    H8     A   3           H8         A   3   4.446  -4.798   8.948
   32   1H6     A   3          1H6         A   3   0.548  -2.938  11.152
   33   2H6     A   3          2H6         A   3  -1.077  -3.534  11.431
   34    H2     A   3           H2         A   3  -1.244  -7.671   9.720
   35   1H5*    A   4          H5*         A   4   2.601  -8.746   3.773
   36   2H5*    A   4          2H5*        A   4   2.564  -8.293   2.058
   37    H4*    A   4           H4*        A   4   0.624  -9.495   2.299
   38    H3*    A   4           H3*        A   4   0.037  -6.575   2.438
   39    H2*    A   4          1H2*        A   4  -2.263  -6.990   3.024
   40   2HO*    A   4          2HO*        A   4  -3.069  -9.136   3.058
   41    H1*    A   4           H1*        A   4  -1.742  -8.783   5.030
   42    H8     A   4           H8         A   4   1.269  -6.540   4.819
   43   1H6     A   4          1H6         A   4  -0.225  -2.996   7.772
   44   2H6     A   4          2H6         A   4  -1.768  -2.622   8.509
   45    H2     A   4           H2         A   4  -4.634  -5.817   7.226
   46   1H5*    G   5          H5*         G   5  -2.963  -8.005   0.734
   47   2H5*    G   5          2H5*        G   5  -3.473  -7.357  -0.837
   48    H4*    G   5           H4*        G   5  -5.320  -7.286   0.675
   49    H3*    G   5           H3*        G   5  -4.191  -4.584  -0.015
   50    H2*    G   5          1H2*        G   5  -5.920  -3.589   1.342
   51   2HO*    G   5          2HO*        G   5  -7.183  -5.878   0.728
   52    H1*    G   5           H1*        G   5  -5.624  -5.387   3.467
   53    H8     G   5           H8         G   5  -2.175  -4.831   2.305
   54    H1     G   5           H1         G   5  -4.524   0.150   5.588
   55   1H2     G   5          1H2         G   5  -7.579  -1.389   5.149
   56   2H2     G   5          2H2         G   5  -6.695  -0.028   5.801
   57   1H5*    C   6          H5*         C   6  -8.259  -4.285  -0.014
   58   2H5*    C   6          2H5*        C   6  -8.772  -4.028  -1.693
   59    H4*    C   6           H4*        C   6 -10.115  -2.569  -0.542
   60    H3*    C   6           H3*        C   6  -7.759  -1.110  -1.651
   61    H2*    C   6          1H2*        C   6  -8.393   0.911  -0.512
   62   2HO*    C   6          2HO*        C   6 -10.444   1.253  -0.136
   63    H1*    C   6           H1*        C   6  -8.898  -0.252   1.940
   64   1H4     C   6          1H4         C   6  -2.324  -0.510   1.337
   65   2H4     C   6          2H4         C   6  -2.685   0.819   2.416
   66    H5     C   6           H5         C   6  -4.045  -1.785   0.212
   67    H6     C   6           H6         C   6  -6.447  -2.055  -0.093
   68   1H5*    A   7          H5*         A   7 -10.834   0.981  -1.905
   69   2H5*    A   7          2H5*        A   7 -11.385   1.872  -3.337
   70    H4*    A   7           H4*        A   7 -11.235   3.493  -1.690
   71    H3*    A   7           H3*        A   7  -8.762   3.589  -3.400
   72    H2*    A   7          1H2*        A   7  -7.986   5.438  -2.057
   73   2HO*    A   7          2HO*        A   7 -10.538   5.904  -1.782
   74    H1*    A   7           H1*        A   7  -8.697   4.272   0.389
   75    H8     A   7           H8         A   7  -7.304   1.729  -2.066
   76   1H6     A   7          1H6         A   7  -2.629   2.018  -0.734
   77   2H6     A   7          2H6         A   7  -1.760   3.105   0.327
   78    H2     A   7           H2         A   7  -4.730   6.038   1.940
   79   1H5*    G   8          H5*         G   8  -6.770   5.574  -5.332
   80   2H5*    G   8          2H5*        G   8  -7.372   4.805  -3.853
   81    H4*    G   8           H4*        G   8  -7.161   7.514  -3.236
   82    H3*    G   8           H3*        G   8  -5.080   6.842  -5.209
   83    H2*    G   8          1H2*        G   8  -3.238   7.345  -3.793
   84   2HO*    G   8          2HO*        G   8  -3.400   8.834  -2.265
   85    H1*    G   8           H1*        G   8  -4.129   6.216  -1.458
   86    H8     G   8           H8         G   8  -5.671   3.874  -3.699
   87    H1     G   8           H1         G   8   0.702   3.232  -3.785
   88   1H2     G   8          1H2         G   8   0.726   6.301  -2.192
   89   2H2     G   8          2H2         G   8   1.659   4.976  -2.861
   90   1H5*    G   9          H5*         G   9  -3.250   9.785  -4.313
   91   2H5*    G   9          2H5*        G   9  -3.144  11.018  -5.585
   92    H4*    G   9           H4*        G   9  -0.937  10.544  -5.161
   93    H3*    G   9           H3*        G   9  -1.743   8.795  -7.485
   94    H2*    G   9          1H2*        G   9   0.573   8.089  -7.568
   95   2HO*    G   9          2HO*        G   9   1.887   9.086  -5.683
   96    H1*    G   9           H1*        G   9   0.716   7.649  -4.809
   97    H8     G   9           H8         G   9  -2.715   6.629  -5.752
   98    H1     G   9           H1         G   9   1.753   2.413  -7.595
   99   1H2     G   9          1H2         G   9   3.994   4.906  -6.767
  100   2H2     G   9          2H2         G   9   3.758   3.284  -7.374
  101   1H5*    C  10          H5*         C  10   1.914  10.470  -7.879
  102   2H5*    C  10          2H5*        C  10   1.920  11.573  -9.268
  103    H4*    C  10           H4*        C  10   4.000  10.558  -9.336
  104    H3*    C  10           H3*        C  10   2.169   9.232 -11.313
  105    H2*    C  10          1H2*        C  10   3.966   7.747 -11.920
  106   2HO*    C  10          2HO*        C  10   5.445   9.809 -11.116
  107    H1*    C  10           H1*        C  10   4.775   7.226  -9.293
  108   1H4     C  10          1H4         C  10  -0.660   3.610 -10.328
  109   2H4     C  10          2H4         C  10   0.699   2.571 -10.659
  110    H5     C  10           H5         C  10  -0.404   5.972  -9.788
  111    H6     C  10           H6         C  10   1.204   7.785  -9.517
  112   1H5*    U  11          H5*         U  11   5.049   9.730 -13.693
  113   2H5*    U  11          2H5*        U  11   4.684  10.559 -15.219
  114    H4*    U  11           H4*        U  11   5.504   8.414 -15.769
  115    H3*    U  11           H3*        U  11   2.526   8.623 -16.147
  116    H2*    U  11          1H2*        U  11   2.501   6.354 -16.896
  117   2HO*    U  11          2HO*        U  11   4.398   5.280 -17.446
  118    H1*    U  11           H1*        U  11   4.470   5.440 -15.050
  119    H3     U  11           H3         U  11   0.674   3.152 -14.090
  120    H5     U  11           H5         U  11   0.157   6.938 -12.320
  121    H6     U  11           H6         U  11   2.156   7.652 -13.450
  122   1H5*    U  12          H5*         U  12   2.442   8.950 -21.399
  123   2H5*    U  12          2H5*        U  12   0.999   8.038 -20.912
  124    H4*    U  12           H4*        U  12   1.969   6.797 -22.636
  125    H3*    U  12           H3*        U  12   1.538   5.465 -20.393
  126    H2*    U  12          1H2*        U  12   3.653   5.944 -19.310
  127   2HO*    U  12          2HO*        U  12   3.557   3.510 -20.652
  128    H1*    U  12           H1*        U  12   5.114   5.303 -21.923
  129    H3     U  12           H3         U  12   8.920   6.215 -19.734
  130    H5     U  12           H5         U  12   6.548   9.608 -19.036
  131    H6     U  12           H6         U  12   4.745   8.481 -20.159
  132   1H5*    C  13          H5*         C  13   2.714   1.586 -20.261
  133   2H5*    C  13          2H5*        C  13   1.314   0.859 -21.073
  134    H4*    C  13           H4*        C  13   1.774   0.050 -18.749
  135    H3*    C  13           H3*        C  13  -0.626   0.109 -19.884
  136    H2*    C  13          1H2*        C  13  -1.178   2.407 -19.308
  137   2HO*    C  13          2HO*        C  13  -2.109   0.544 -17.402
  138    H1*    C  13           H1*        C  13  -0.153   1.843 -16.474
  139   1H4     C  13          1H4         C  13   0.223   8.378 -17.306
  140   2H4     C  13          2H4         C  13  -0.755   8.085 -15.885
  141    H5     C  13           H5         C  13   1.048   6.573 -18.704
  142    H6     C  13           H6         C  13   1.114   4.153 -19.000
  143   1H5*    G  14          H5*         G  14   1.477  -1.883 -19.547
  144   2H5*    G  14          2H5*        G  14   0.902  -3.369 -20.328
  145    H4*    G  14           H4*        G  14   2.428  -4.661 -19.329
  146    H3*    G  14           H3*        G  14   2.051  -3.045 -16.821
  147    H2*    G  14          1H2*        G  14   4.234  -3.711 -16.093
  148   2HO*    G  14          2HO*        G  14   3.624  -5.883 -17.469
  149    H1*    G  14           H1*        G  14   5.454  -3.530 -18.641
  150    H8     G  14           H8         G  14   7.080  -1.716 -18.098
  151    H1     G  14           H1         G  14   2.578   1.869 -15.259
  152   1H2     G  14          1H2         G  14   0.457  -0.758 -16.038
  153   2H2     G  14          2H2         G  14   0.637   0.819 -15.303
  154   1H5*    G  15          H5*         G  15   3.731  -6.058 -14.760
  155   2H5*    G  15          2H5*        G  15   3.129  -5.767 -13.117
  156    H4*    G  15           H4*        G  15   5.542  -5.003 -13.959
  157    H3*    G  15           H3*        G  15   3.800  -3.848 -11.828
  158    H2*    G  15          1H2*        G  15   5.234  -1.930 -11.618
  159   2HO*    G  15          2HO*        G  15   7.121  -3.502 -12.211
  160    H1*    G  15           H1*        G  15   5.449  -1.398 -14.310
  161    H8     G  15           H8         G  15   2.087  -2.889 -14.049
  162    H1     G  15           H1         G  15   2.296   3.111 -11.842
  163   1H2     G  15          1H2         G  15   5.712   2.734 -12.013
  164   2H2     G  15          2H2         G  15   4.367   3.775 -11.613
  165   1H5*    C  16          H5*         C  16   7.848  -3.436 -10.116
  166   2H5*    C  16          2H5*        C  16   7.640  -3.875  -8.410
  167    H4*    C  16           H4*        C  16   8.634  -1.635  -8.776
  168    H3*    C  16           H3*        C  16   6.074  -1.845  -7.206
  169    H2*    C  16          1H2*        C  16   6.162   0.542  -6.878
  170   2HO*    C  16          2HO*        C  16   8.441   0.680  -6.560
  171    H1*    C  16           H1*        C  16   6.846   1.129  -9.531
  172   1H4     C  16          1H4         C  16   0.367  -0.087  -9.658
  173   2H4     C  16          2H4         C  16   0.515   1.580  -9.151
  174    H5     C  16           H5         C  16   2.294  -1.548  -9.911
  175    H6     C  16           H6         C  16   4.722  -1.690  -9.728
  176   1H5*    C  17          H5*         C  17   8.891   0.520  -4.557
  177   2H5*    C  17          2H5*        C  17   8.574  -0.192  -2.963
  178    H4*    C  17           H4*        C  17   8.446   2.259  -2.977
  179    H3*    C  17           H3*        C  17   5.970   0.742  -2.191
  180    H2*    C  17          1H2*        C  17   4.895   2.868  -1.785
  181   2HO*    C  17          2HO*        C  17   7.469   3.670  -1.580
  182    H1*    C  17           H1*        C  17   5.643   3.947  -4.219
  183   1H4     C  17          1H4         C  17   1.205  -0.591  -5.982
  184   2H4     C  17          2H4         C  17   0.256   0.785  -5.471
  185    H5     C  17           H5         C  17   3.609  -0.698  -5.714
  186    H6     C  17           H6         C  17   5.579   0.494  -4.916
  187   1H5*    U  18          H5*         U  18   7.185   4.296   0.047
  188   2H5*    U  18          2H5*        U  18   7.976   3.377   1.342
  189    H4*    U  18           H4*        U  18   7.334   4.866   2.815
  190    H3*    U  18           H3*        U  18   5.068   3.491   2.775
  191    H2*    U  18          1H2*        U  18   3.932   4.555   0.966
  192   2HO*    U  18          2HO*        U  18   2.680   5.013   2.873
  193    H1*    U  18           H1*        U  18   4.870   7.329   1.769
  194    H3     U  18           H3         U  18   4.133   9.139  -2.210
  195    H5     U  18           H5         U  18   4.421   5.053  -3.114
  196    H6     U  18           H6         U  18   4.924   4.642  -0.807
  197   1H5*    U  19          H5*         U  19   3.865   7.104   4.125
  198   2H5*    U  19          2H5*        U  19   4.773   7.355   5.628
  199    H4*    U  19           H4*        U  19   3.231   8.694   6.463
  200    H3*    U  19           H3*        U  19   1.236   6.569   5.776
  201    H2*    U  19          1H2*        U  19  -0.539   8.189   5.830
  202   2HO*    U  19          2HO*        U  19   1.116   9.374   7.556
  203    H1*    U  19           H1*        U  19   0.835  10.206   4.467
  204    H3     U  19           H3         U  19  -2.330   8.612   1.601
  205    H5     U  19           H5         U  19   0.964   6.049   1.170
  206    H6     U  19           H6         U  19   1.957   7.125   3.079
  207   1H5*    G  20          H5*         G  20  -0.627   8.718   8.038
  208   2H5*    G  20          2H5*        G  20  -1.081   8.031   9.609
  209    H4*    G  20           H4*        G  20  -2.976   9.115   8.647
  210    H3*    G  20           H3*        G  20  -3.111   6.157   8.931
  211    H2*    G  20          1H2*        G  20  -5.209   6.045   7.765
  212   2HO*    G  20          2HO*        G  20  -5.576   8.383   8.797
  213    H1*    G  20           H1*        G  20  -4.527   7.719   5.676
  214    H8     G  20           H8         G  20  -1.301   6.147   6.473
  215    H1     G  20           H1         G  20  -5.226   2.216   3.283
  216   1H2     G  20          1H2         G  20  -7.684   4.530   4.083
  217   2H2     G  20          2H2         G  20  -7.293   3.020   3.293
  218   1H5*    U  21          H5*         U  21  -6.440   6.673  10.407
  219   2H5*    U  21          2H5*        U  21  -6.898   5.698  11.817
  220    H4*    U  21           H4*        U  21  -8.047   4.867   9.900
  221    H3*    U  21           H3*        U  21  -5.906   3.055  10.966
  222    H2*    U  21          1H2*        U  21  -6.368   1.485   9.214
  223   2HO*    U  21          2HO*        U  21  -8.448   1.345   8.754
  224    H1*    U  21           H1*        U  21  -6.619   3.385   7.170
  225    H3     U  21           H3         U  21  -2.739   1.190   6.317
  226    H5     U  21           H5         U  21  -1.758   4.019   9.245
  227    H6     U  21           H6         U  21  -4.108   4.484   9.481
  228   1H5*    U  22          H5*         U  22  -9.608   0.987   9.936
  229   2H5*    U  22          2H5*        U  22 -10.162   0.308  11.479
  230    H4*    U  22           H4*        U  22 -10.658  -1.373  10.005
  231    H3*    U  22           H3*        U  22  -8.013  -1.957  11.285
  232    H2*    U  22          1H2*        U  22  -7.787  -3.933   9.924
  233   2HO*    U  22          2HO*        U  22 -10.377  -3.954  10.024
  234    H1*    U  22           H1*        U  22  -8.524  -2.717   7.542
  235    H3     U  22           H3         U  22  -4.028  -2.987   7.154
  236    H5     U  22           H5         U  22  -4.664   0.285   9.701
  237    H6     U  22           H6         U  22  -6.988  -0.328   9.785
  238   1H5*    U  23          H5*         U  23 -10.034  -5.490  11.910
  239   2H5*    U  23          2H5*        U  23  -9.773  -6.147  13.537
  240    H4*    U  23           H4*        U  23  -9.032  -7.740  11.919
  241    H3*    U  23           H3*        U  23  -6.787  -6.454  13.462
  242    H2*    U  23          1H2*        U  23  -5.260  -7.900  12.263
  243   2HO*    U  23          2HO*        U  23  -7.455  -9.417  12.078
  244    H1*    U  23           H1*        U  23  -6.425  -7.432   9.766
  245    H3     U  23           H3         U  23  -2.474  -5.175   9.818
  246    H5     U  23           H5         U  23  -5.233  -2.617  11.686
  247    H6     U  23           H6         U  23  -6.804  -4.440  11.685
  248   1H5*    C  24          H5*         C  24  -6.341 -10.479  13.033
  249   2H5*    C  24          2H5*        C  24  -5.928 -11.317  14.541
  250    H4*    C  24           H4*        C  24  -4.495 -11.965  12.660
  251    H3*    C  24           H3*        C  24  -3.248 -10.732  15.090
  252    H2*    C  24          1H2*        C  24  -1.089 -10.822  14.053
  253   2HO*    C  24          2HO*        C  24  -2.167 -12.926  12.841
  254    H1*    C  24           H1*        C  24  -1.932 -10.019  11.499
  255   1H4     C  24          1H4         C  24  -1.468  -4.393  14.877
  256   2H4     C  24          2H4         C  24   0.153  -4.721  14.314
  257    H5     C  24           H5         C  24  -3.289  -5.975  14.625
  258    H6     C  24           H6         C  24  -3.917  -8.169  13.766
  259   1H5*    C  25          H5*         C  25  -0.753 -14.293  14.041
  260   2H5*    C  25          2H5*        C  25  -0.826 -15.225  15.550
  261    H4*    C  25           H4*        C  25   1.429 -15.186  14.803
  262    H3*    C  25           H3*        C  25   0.868 -13.603  17.274
  263    H2*    C  25          1H2*        C  25   3.120 -12.778  17.334
  264   2HO*    C  25          2HO*        C  25   3.697 -15.063  16.283
  265    H1*    C  25           H1*        C  25   3.322 -12.179  14.630
  266   1H4     C  25          1H4         C  25  -0.515  -7.426  17.145
  267   2H4     C  25          2H4         C  25   1.109  -6.777  17.093
  268    H5     C  25           H5         C  25  -1.029  -9.719  16.558
  269    H6     C  25           H6         C  25  -0.093 -11.841  15.806
  270    H3T    C  25           H3T        C  25   0.957 -15.768  17.459
  Start of MODEL   26
    1   1H5*    G   1          H5*         G   1   6.776  -0.197  15.640
    2   2H5*    G   1          2H5*        G   1   6.538  -0.543  17.363
    3    H4*    G   1           H4*        G   1   8.920  -1.762  16.138
    4    H3*    G   1           H3*        G   1   6.192  -2.478  15.113
    5    H2*    G   1          1H2*        G   1   6.776  -4.816  15.256
    6   2HO*    G   1          2HO*        G   1   9.197  -3.967  14.870
    7    H1*    G   1           H1*        G   1   7.754  -4.678  17.829
    8    H8     G   1           H8         G   1   5.176  -2.057  17.851
    9    H1     G   1           H1         G   1   2.647  -7.943  17.826
   10   1H2     G   1          1H2         G   1   5.857  -8.981  17.058
   11   2H2     G   1          2H2         G   1   4.193  -9.438  17.356
   12    H5T    G   1           H5T        G   1   8.786   0.083  17.636
   13   1H5*    G   2          H5*         G   2   8.937  -4.791  13.130
   14   2H5*    G   2          2H5*        G   2   8.677  -4.832  11.375
   15    H4*    G   2           H4*        G   2   8.883  -7.065  12.278
   16    H3*    G   2           H3*        G   2   6.267  -6.311  11.039
   17    H2*    G   2          1H2*        G   2   5.337  -8.452  11.627
   18   2HO*    G   2          2HO*        G   2   7.787  -9.267  11.367
   19    H1*    G   2           H1*        G   2   6.264  -8.482  14.234
   20    H8     G   2           H8         G   2   5.663  -4.894  13.678
   21    H1     G   2           H1         G   2   0.222  -8.166  14.501
   22   1H2     G   2          1H2         G   2   2.208 -10.983  14.029
   23   2H2     G   2          2H2         G   2   0.603 -10.346  14.309
   24   1H5*    A   3          H5*         A   3   7.047 -10.077   8.904
   25   2H5*    A   3          2H5*        A   3   7.401  -9.471   7.274
   26    H4*    A   3           H4*        A   3   5.971 -11.210   6.851
   27    H3*    A   3           H3*        A   3   4.470  -8.635   6.824
   28    H2*    A   3          1H2*        A   3   2.357  -9.775   6.640
   29   2HO*    A   3          2HO*        A   3   3.799 -11.596   5.445
   30    H1*    A   3           H1*        A   3   2.806 -11.598   8.647
   31    H8     A   3           H8         A   3   4.805  -8.636   9.709
   32   1H6     A   3          1H6         A   3   1.314  -6.088  11.922
   33   2H6     A   3          2H6         A   3  -0.431  -6.224  11.957
   34    H2     A   3           H2         A   3  -1.504  -9.794   9.475
   35   1H5*    A   4          H5*         A   4   3.250 -10.529   2.973
   36   2H5*    A   4          2H5*        A   4   3.278  -9.228   1.767
   37    H4*    A   4           H4*        A   4   1.133 -10.384   1.822
   38    H3*    A   4           H3*        A   4   1.182  -7.466   2.507
   39    H2*    A   4          1H2*        A   4  -1.197  -7.524   2.901
   40   2HO*    A   4          2HO*        A   4  -2.303  -8.909   1.733
   41    H1*    A   4           H1*        A   4  -1.157  -9.805   4.469
   42    H8     A   4           H8         A   4   2.092  -8.144   5.206
   43   1H6     A   4          1H6         A   4   0.601  -4.915   8.516
   44   2H6     A   4          2H6         A   4  -0.977  -4.364   9.035
   45    H2     A   4           H2         A   4  -3.988  -6.696   6.659
   46   1H5*    G   5          H5*         G   5  -1.959  -8.432  -0.037
   47   2H5*    G   5          2H5*        G   5  -2.140  -7.316  -1.405
   48    H4*    G   5           H4*        G   5  -4.260  -7.740  -0.283
   49    H3*    G   5           H3*        G   5  -3.223  -4.917  -0.212
   50    H2*    G   5          1H2*        G   5  -5.251  -4.287   0.955
   51   2HO*    G   5          2HO*        G   5  -6.962  -5.670   1.140
   52    H1*    G   5           H1*        G   5  -5.083  -6.346   2.803
   53    H8     G   5           H8         G   5  -1.540  -5.679   2.231
   54    H1     G   5           H1         G   5  -4.364  -0.969   5.546
   55   1H2     G   5          1H2         G   5  -7.308  -2.417   4.520
   56   2H2     G   5          2H2         G   5  -6.529  -1.129   5.413
   57   1H5*    C   6          H5*         C   6  -7.035  -4.589  -0.465
   58   2H5*    C   6          2H5*        C   6  -7.502  -4.014  -2.077
   59    H4*    C   6           H4*        C   6  -8.862  -2.806  -0.657
   60    H3*    C   6           H3*        C   6  -6.495  -1.116  -1.417
   61    H2*    C   6          1H2*        C   6  -7.427   0.673  -0.080
   62   2HO*    C   6          2HO*        C   6  -9.699  -0.463  -0.648
   63    H1*    C   6           H1*        C   6  -7.925  -0.936   2.126
   64   1H4     C   6          1H4         C   6  -1.366  -0.319   2.090
   65   2H4     C   6          2H4         C   6  -1.941   1.074   2.977
   66    H5     C   6           H5         C   6  -2.824  -1.860   0.947
   67    H6     C   6           H6         C   6  -5.145  -2.399   0.434
   68   1H5*    A   7          H5*         A   7  -9.634   1.006  -2.105
   69   2H5*    A   7          2H5*        A   7  -9.754   2.089  -3.505
   70    H4*    A   7           H4*        A   7  -9.910   3.364  -1.481
   71    H3*    A   7           H3*        A   7  -7.385   3.809  -3.056
   72    H2*    A   7          1H2*        A   7  -6.724   5.445  -1.412
   73   2HO*    A   7          2HO*        A   7  -8.324   6.552  -0.539
   74    H1*    A   7           H1*        A   7  -7.477   3.890   0.797
   75    H8     A   7           H8         A   7  -6.025   1.275  -1.241
   76   1H6     A   7          1H6         A   7  -1.285   2.084  -0.493
   77   2H6     A   7          2H6         A   7  -0.405   3.446   0.167
   78    H2     A   7           H2         A   7  -3.404   6.577   1.253
   79   1H5*    G   8          H5*         G   8  -8.039   7.287  -2.030
   80   2H5*    G   8          2H5*        G   8  -8.646   8.299  -3.354
   81    H4*    G   8           H4*        G   8  -7.077   9.655  -2.399
   82    H3*    G   8           H3*        G   8  -5.829   8.255  -4.727
   83    H2*    G   8          1H2*        G   8  -3.687   9.218  -4.196
   84   2HO*    G   8          2HO*        G   8  -5.128  11.173  -3.264
   85    H1*    G   8           H1*        G   8  -3.783   8.712  -1.474
   86    H8     G   8           H8         G   8  -5.605   5.892  -3.066
   87    H1     G   8           H1         G   8   0.778   5.305  -3.376
   88   1H2     G   8          1H2         G   8   0.812   8.612  -2.388
   89   2H2     G   8          2H2         G   8   1.745   7.200  -2.830
   90   1H5*    G   9          H5*         G   9  -4.433  11.861  -5.454
   91   2H5*    G   9          2H5*        G   9  -4.772  12.432  -7.100
   92    H4*    G   9           H4*        G   9  -2.437  12.481  -6.837
   93    H3*    G   9           H3*        G   9  -3.282  10.121  -8.510
   94    H2*    G   9          1H2*        G   9  -0.947   9.600  -8.789
   95   2HO*    G   9          2HO*        G   9   0.526  11.135  -8.664
   96    H1*    G   9           H1*        G   9  -0.279  10.084  -6.094
   97    H8     G   9           H8         G   9  -3.527   8.326  -5.999
   98    H1     G   9           H1         G   9   1.381   4.433  -7.380
   99   1H2     G   9          1H2         G   9   3.168   7.355  -7.821
  100   2H2     G   9          2H2         G   9   3.180   5.607  -7.861
  101   1H5*    C  10          H5*         C  10  -0.117  12.349  -9.907
  102   2H5*    C  10          2H5*        C  10  -0.292  12.848 -11.600
  103    H4*    C  10           H4*        C  10   1.940  12.163 -11.315
  104    H3*    C  10           H3*        C  10   0.313  10.152 -12.838
  105    H2*    C  10          1H2*        C  10   2.272   8.766 -13.029
  106   2HO*    C  10          2HO*        C  10   3.573  10.913 -13.173
  107    H1*    C  10           H1*        C  10   3.098   9.101 -10.372
  108   1H4     C  10          1H4         C  10  -1.833   4.709 -10.214
  109   2H4     C  10          2H4         C  10  -0.353   3.786 -10.224
  110    H5     C  10           H5         C  10  -1.878   7.125 -10.435
  111    H6     C  10           H6         C  10  -0.511   9.122 -10.731
  112   1H5*    U  11          H5*         U  11   3.142  10.505 -14.969
  113   2H5*    U  11          2H5*        U  11   3.127  10.774 -16.723
  114    H4*    U  11           H4*        U  11   4.105   8.667 -16.399
  115    H3*    U  11           H3*        U  11   1.268   8.451 -17.355
  116    H2*    U  11          1H2*        U  11   1.379   6.082 -17.205
  117   2HO*    U  11          2HO*        U  11   3.259   4.991 -17.378
  118    H1*    U  11           H1*        U  11   3.203   6.012 -14.972
  119    H3     U  11           H3         U  11  -0.392   3.549 -13.702
  120    H5     U  11           H5         U  11  -1.554   7.565 -13.207
  121    H6     U  11           H6         U  11   0.459   8.206 -14.357
  122   1H5*    U  12          H5*         U  12   2.814   7.517 -22.303
  123   2H5*    U  12          2H5*        U  12   1.329   6.546 -22.333
  124    H4*    U  12           H4*        U  12   2.906   5.061 -23.086
  125    H3*    U  12           H3*        U  12   1.770   4.269 -20.807
  126    H2*    U  12          1H2*        U  12   3.388   5.248 -19.292
  127   2HO*    U  12          2HO*        U  12   3.820   2.576 -19.902
  128    H1*    U  12           H1*        U  12   5.624   4.209 -21.117
  129    H3     U  12           H3         U  12   8.562   5.892 -18.177
  130    H5     U  12           H5         U  12   5.996   9.123 -18.954
  131    H6     U  12           H6         U  12   4.641   7.631 -20.267
  132   1H5*    C  13          H5*         C  13   2.843   0.810 -19.140
  133   2H5*    C  13          2H5*        C  13   2.019  -0.276 -20.277
  134    H4*    C  13           H4*        C  13   1.350  -0.598 -17.930
  135    H3*    C  13           H3*        C  13  -0.332  -0.898 -19.968
  136    H2*    C  13          1H2*        C  13  -1.036   1.436 -20.093
  137   2HO*    C  13          2HO*        C  13  -2.987   1.179 -18.314
  138    H1*    C  13           H1*        C  13  -1.326   1.380 -17.036
  139   1H4     C  13          1H4         C  13  -0.734   7.712 -18.818
  140   2H4     C  13          2H4         C  13  -2.200   7.576 -17.879
  141    H5     C  13           H5         C  13   0.625   5.793 -19.407
  142    H6     C  13           H6         C  13   0.850   3.374 -19.198
  143   1H5*    G  14          H5*         G  14  -1.089  -3.422 -15.093
  144   2H5*    G  14          2H5*        G  14  -0.408  -2.093 -16.048
  145    H4*    G  14           H4*        G  14   0.516  -4.923 -16.421
  146    H3*    G  14           H3*        G  14   1.355  -3.057 -14.220
  147    H2*    G  14          1H2*        G  14   3.634  -3.742 -14.541
  148   2HO*    G  14          2HO*        G  14   2.502  -5.996 -15.266
  149    H1*    G  14           H1*        G  14   3.528  -3.722 -17.344
  150    H8     G  14           H8         G  14   5.525  -2.114 -16.900
  151    H1     G  14           H1         G  14   1.454   2.351 -14.758
  152   1H2     G  14          1H2         G  14  -0.891  -0.204 -14.841
  153   2H2     G  14          2H2         G  14  -0.565   1.479 -14.494
  154   1H5*    G  15          H5*         G  15   3.542  -5.016 -13.050
  155   2H5*    G  15          2H5*        G  15   3.656  -5.156 -11.286
  156    H4*    G  15           H4*        G  15   5.443  -3.788 -12.227
  157    H3*    G  15           H3*        G  15   3.536  -2.518 -10.303
  158    H2*    G  15          1H2*        G  15   4.733  -0.438 -10.505
  159   2HO*    G  15          2HO*        G  15   6.800  -0.509 -10.976
  160    H1*    G  15           H1*        G  15   4.820  -0.457 -13.268
  161    H8     G  15           H8         G  15   1.662  -2.169 -12.593
  162    H1     G  15           H1         G  15   1.281   4.109 -11.409
  163   1H2     G  15          1H2         G  15   4.713   4.043 -11.612
  164   2H2     G  15          2H2         G  15   3.277   5.004 -11.355
  165   1H5*    C  16          H5*         C  16   7.490  -1.509  -9.427
  166   2H5*    C  16          2H5*        C  16   7.850  -1.502  -7.690
  167    H4*    C  16           H4*        C  16   8.519   0.574  -8.796
  168    H3*    C  16           H3*        C  16   6.463   0.713  -6.616
  169    H2*    C  16          1H2*        C  16   6.307   3.099  -6.930
  170   2HO*    C  16          2HO*        C  16   7.816   4.223  -8.073
  171    H1*    C  16           H1*        C  16   6.168   3.005  -9.705
  172   1H4     C  16          1H4         C  16   0.210   0.930  -7.793
  173   2H4     C  16          2H4         C  16   0.121   2.679  -7.861
  174    H5     C  16           H5         C  16   2.303  -0.263  -8.108
  175    H6     C  16           H6         C  16   4.687  -0.019  -8.547
  176   1H5*    C  17          H5*         C  17   8.352   4.207  -6.283
  177   2H5*    C  17          2H5*        C  17   9.581   3.848  -5.054
  178    H4*    C  17           H4*        C  17   8.994   5.998  -4.538
  179    H3*    C  17           H3*        C  17   7.458   4.130  -2.775
  180    H2*    C  17          1H2*        C  17   6.255   5.978  -1.820
  181   2HO*    C  17          2HO*        C  17   8.462   7.298  -2.550
  182    H1*    C  17           H1*        C  17   5.673   7.226  -4.224
  183   1H4     C  17          1H4         C  17   1.739   1.937  -4.309
  184   2H4     C  17          2H4         C  17   0.782   3.217  -3.605
  185    H5     C  17           H5         C  17   4.081   2.173  -4.843
  186    H6     C  17           H6         C  17   5.988   3.692  -4.828
  187   1H5*    U  18          H5*         U  18   8.403   6.942  -0.138
  188   2H5*    U  18          2H5*        U  18   9.974   6.443   0.516
  189    H4*    U  18           H4*        U  18   9.242   6.370   2.651
  190    H3*    U  18           H3*        U  18   7.207   4.793   2.079
  191    H2*    U  18          1H2*        U  18   5.818   6.370   0.909
  192   2HO*    U  18          2HO*        U  18   5.019   7.150   3.507
  193    H1*    U  18           H1*        U  18   6.325   8.526   3.001
  194    H3     U  18           H3         U  18   4.894  11.862   0.437
  195    H5     U  18           H5         U  18   5.768   8.859  -2.363
  196    H6     U  18           H6         U  18   6.536   7.493  -0.554
  197   1H5*    U  19          H5*         U  19   3.362   5.314   5.824
  198   2H5*    U  19          2H5*        U  19   3.773   5.866   4.188
  199    H4*    U  19           H4*        U  19   4.325   7.766   6.372
  200    H3*    U  19           H3*        U  19   1.522   6.848   5.902
  201    H2*    U  19          1H2*        U  19   0.742   9.111   5.742
  202   2HO*    U  19          2HO*        U  19   2.780   9.534   7.384
  203    H1*    U  19           H1*        U  19   2.833  10.091   4.185
  204    H3     U  19           H3         U  19  -0.923   9.770   1.586
  205    H5     U  19           H5         U  19   1.003   6.053   1.296
  206    H6     U  19           H6         U  19   2.466   6.758   3.073
  207   1H5*    G  20          H5*         G  20  -0.398   9.396   7.336
  208   2H5*    G  20          2H5*        G  20  -0.752   8.858   8.988
  209    H4*    G  20           H4*        G  20  -2.831   9.376   8.149
  210    H3*    G  20           H3*        G  20  -2.370   6.426   7.991
  211    H2*    G  20          1H2*        G  20  -4.496   6.133   6.875
  212   2HO*    G  20          2HO*        G  20  -5.051   8.440   8.095
  213    H1*    G  20           H1*        G  20  -4.042   8.040   4.963
  214    H8     G  20           H8         G  20  -0.574   7.169   5.624
  215    H1     G  20           H1         G  20  -3.651   2.446   2.573
  216   1H2     G  20          1H2         G  20  -6.511   4.173   3.443
  217   2H2     G  20          2H2         G  20  -5.824   2.771   2.655
  218   1H5*    U  21          H5*         U  21  -6.044   6.340   9.147
  219   2H5*    U  21          2H5*        U  21  -6.298   5.522  10.702
  220    H4*    U  21           H4*        U  21  -7.766   4.555   9.110
  221    H3*    U  21           H3*        U  21  -5.510   2.779   9.960
  222    H2*    U  21          1H2*        U  21  -6.243   1.076   8.422
  223   2HO*    U  21          2HO*        U  21  -8.596   2.279   8.813
  224    H1*    U  21           H1*        U  21  -6.665   2.778   6.266
  225    H3     U  21           H3         U  21  -2.760   0.510   5.498
  226    H5     U  21           H5         U  21  -1.693   3.918   7.689
  227    H6     U  21           H6         U  21  -4.035   4.321   8.065
  228   1H5*    U  22          H5*         U  22  -8.831   0.610   9.665
  229   2H5*    U  22          2H5*        U  22  -9.362  -0.139  11.184
  230    H4*    U  22           H4*        U  22  -9.591  -1.755   9.469
  231    H3*    U  22           H3*        U  22  -7.256  -2.327  11.280
  232    H2*    U  22          1H2*        U  22  -6.831  -4.319  10.003
  233   2HO*    U  22          2HO*        U  22  -8.403  -5.299   8.935
  234    H1*    U  22           H1*        U  22  -7.294  -3.116   7.494
  235    H3     U  22           H3         U  22  -2.860  -4.165   7.790
  236    H5     U  22           H5         U  22  -3.257  -0.432   9.656
  237    H6     U  22           H6         U  22  -5.646  -0.700   9.518
  238   1H5*    U  23          H5*         U  23  -9.359  -5.653  10.317
  239   2H5*    U  23          2H5*        U  23 -10.065  -6.397  11.766
  240    H4*    U  23           H4*        U  23  -9.322  -8.211  10.558
  241    H3*    U  23           H3*        U  23  -7.244  -7.513  12.613
  242    H2*    U  23          1H2*        U  23  -5.897  -9.345  11.804
  243   2HO*    U  23          2HO*        U  23  -7.371 -10.930  11.345
  244    H1*    U  23           H1*        U  23  -6.232  -8.723   9.107
  245    H3     U  23           H3         U  23  -2.036  -7.254   9.809
  246    H5     U  23           H5         U  23  -4.425  -4.426  11.780
  247    H6     U  23           H6         U  23  -6.326  -5.833  11.336
  248   1H5*    C  24          H5*         C  24  -7.556 -11.356  13.048
  249   2H5*    C  24          2H5*        C  24  -7.540 -11.957  14.717
  250    H4*    C  24           H4*        C  24  -5.673 -12.848  13.491
  251    H3*    C  24           H3*        C  24  -4.939 -10.906  15.672
  252    H2*    C  24          1H2*        C  24  -2.622 -11.327  15.154
  253   2HO*    C  24          2HO*        C  24  -3.596 -13.664  14.367
  254    H1*    C  24           H1*        C  24  -2.975 -11.198  12.372
  255   1H4     C  24          1H4         C  24  -2.828  -4.915  14.346
  256   2H4     C  24          2H4         C  24  -1.149  -5.425  14.274
  257    H5     C  24           H5         C  24  -4.665  -6.483  14.038
  258    H6     C  24           H6         C  24  -5.241  -8.816  13.608
  259   1H5*    C  25          H5*         C  25  -2.353 -14.171  15.683
  260   2H5*    C  25          2H5*        C  25  -2.602 -15.008  17.228
  261    H4*    C  25           H4*        C  25  -0.293 -15.033  16.846
  262    H3*    C  25           H3*        C  25  -1.083 -13.031  18.927
  263    H2*    C  25          1H2*        C  25   1.193 -12.298  19.127
  264   2HO*    C  25          2HO*        C  25   1.758 -14.751  18.592
  265    H1*    C  25           H1*        C  25   1.743 -12.247  16.390
  266   1H4     C  25          1H4         C  25  -1.805  -6.801  17.577
  267   2H4     C  25          2H4         C  25  -0.122  -6.320  17.588
  268    H5     C  25           H5         C  25  -2.496  -9.121  17.371
  269    H6     C  25           H6         C  25  -1.715 -11.420  17.132
  270    H3T    C  25           H3T        C  25  -1.154 -15.175  19.422
  Start of MODEL   27
    1   1H5*    G   1          H5*         G   1   7.702   0.951  16.297
    2   2H5*    G   1          2H5*        G   1   8.579   1.620  14.910
    3    H4*    G   1           H4*        G   1   9.610  -0.347  14.894
    4    H3*    G   1           H3*        G   1   7.059  -0.985  13.452
    5    H2*    G   1          1H2*        G   1   7.654  -3.323  13.451
    6   2HO*    G   1          2HO*        G   1   9.704  -3.894  13.545
    7    H1*    G   1           H1*        G   1   8.407  -3.420  16.119
    8    H8     G   1           H8         G   1   5.622  -0.927  15.832
    9    H1     G   1           H1         G   1   3.637  -7.021  16.071
   10   1H2     G   1          1H2         G   1   6.980  -7.798  15.623
   11   2H2     G   1          2H2         G   1   5.348  -8.389  15.841
   12    H5T    G   1           H5T        G   1   6.877   1.111  13.587
   13   1H5*    G   2          H5*         G   2   9.661  -3.343  11.773
   14   2H5*    G   2          2H5*        G   2   9.843  -3.025  10.037
   15    H4*    G   2           H4*        G   2   9.550  -5.310  10.149
   16    H3*    G   2           H3*        G   2   6.875  -4.088   9.483
   17    H2*    G   2          1H2*        G   2   6.008  -6.337   9.354
   18   2HO*    G   2          2HO*        G   2   8.534  -6.907   8.779
   19    H1*    G   2           H1*        G   2   7.189  -7.158  11.742
   20    H8     G   2           H8         G   2   6.237  -3.566  12.145
   21    H1     G   2           H1         G   2   1.319  -7.604  12.901
   22   1H2     G   2          1H2         G   2   3.492  -9.995  11.636
   23   2H2     G   2          2H2         G   2   1.887  -9.632  12.229
   24   1H5*    A   3          H5*         A   3   7.799  -7.061   6.596
   25   2H5*    A   3          2H5*        A   3   7.874  -6.261   5.014
   26    H4*    A   3           H4*        A   3   6.746  -8.195   4.532
   27    H3*    A   3           H3*        A   3   4.759  -5.995   4.958
   28    H2*    A   3          1H2*        A   3   2.951  -7.571   4.670
   29   2HO*    A   3          2HO*        A   3   4.815  -8.887   3.290
   30    H1*    A   3           H1*        A   3   3.965  -9.463   6.399
   31    H8     A   3           H8         A   3   5.156  -6.165   7.750
   32   1H6     A   3          1H6         A   3   1.268  -5.015  10.413
   33   2H6     A   3          2H6         A   3  -0.360  -5.655  10.501
   34    H2     A   3           H2         A   3  -0.564  -9.088   7.638
   35   1H5*    A   4          H5*         A   4   3.710  -8.318   1.923
   36   2H5*    A   4          2H5*        A   4   3.404  -7.532   0.361
   37    H4*    A   4           H4*        A   4   1.628  -9.021   0.709
   38    H3*    A   4           H3*        A   4   0.884  -6.156   1.073
   39    H2*    A   4          1H2*        A   4  -1.329  -6.750   1.801
   40   2HO*    A   4          2HO*        A   4  -2.185  -8.526   1.025
   41    H1*    A   4           H1*        A   4  -0.569  -8.738   3.560
   42    H8     A   4           H8         A   4   2.151  -6.130   3.474
   43   1H6     A   4          1H6         A   4   0.533  -3.281   7.045
   44   2H6     A   4          2H6         A   4  -0.977  -3.192   7.926
   45    H2     A   4           H2         A   4  -3.582  -6.477   6.334
   46   1H5*    G   5          H5*         G   5  -2.060  -7.713  -0.771
   47   2H5*    G   5          2H5*        G   5  -2.752  -6.897  -2.187
   48    H4*    G   5           H4*        G   5  -4.481  -7.151  -0.596
   49    H3*    G   5           H3*        G   5  -3.511  -4.297  -0.718
   50    H2*    G   5          1H2*        G   5  -5.313  -3.768   0.818
   51   2HO*    G   5          2HO*        G   5  -7.044  -4.997   0.591
   52    H1*    G   5           H1*        G   5  -4.717  -5.896   2.526
   53    H8     G   5           H8         G   5  -1.379  -4.874   1.424
   54    H1     G   5           H1         G   5  -4.031  -0.601   5.406
   55   1H2     G   5          1H2         G   5  -6.965  -2.293   4.785
   56   2H2     G   5          2H2         G   5  -6.169  -0.972   5.611
   57   1H5*    C   6          H5*         C   6  -7.488  -4.090  -0.768
   58   2H5*    C   6          2H5*        C   6  -8.036  -3.487  -2.343
   59    H4*    C   6           H4*        C   6  -9.380  -2.376  -0.824
   60    H3*    C   6           H3*        C   6  -7.138  -0.578  -1.695
   61    H2*    C   6          1H2*        C   6  -7.973   1.137  -0.226
   62   2HO*    C   6          2HO*        C   6 -10.275  -0.136  -0.672
   63    H1*    C   6           H1*        C   6  -8.454  -0.566   1.941
   64   1H4     C   6          1H4         C   6  -1.934   0.322   2.079
   65   2H4     C   6          2H4         C   6  -2.595   1.696   2.933
   66    H5     C   6           H5         C   6  -3.312  -1.280   0.894
   67    H6     C   6           H6         C   6  -5.599  -1.898   0.315
   68   1H5*    A   7          H5*         A   7 -10.264   1.530  -1.843
   69   2H5*    A   7          2H5*        A   7 -10.479   2.807  -3.055
   70    H4*    A   7           H4*        A   7 -10.279   3.666  -0.758
   71    H3*    A   7           H3*        A   7  -8.293   4.533  -2.832
   72    H2*    A   7          1H2*        A   7  -7.065   5.750  -1.204
   73   2HO*    A   7          2HO*        A   7  -9.453   6.324  -0.357
   74    H1*    A   7           H1*        A   7  -7.713   4.036   1.028
   75    H8     A   7           H8         A   7  -6.218   1.725  -1.293
   76   1H6     A   7          1H6         A   7  -1.488   2.610  -0.541
   77   2H6     A   7          2H6         A   7  -0.635   3.921   0.246
   78    H2     A   7           H2         A   7  -3.714   6.816   1.710
   79   1H5*    G   8          H5*         G   8  -7.909   8.130  -4.999
   80   2H5*    G   8          2H5*        G   8  -6.960   6.770  -4.370
   81    H4*    G   8           H4*        G   8  -6.893   9.644  -3.477
   82    H3*    G   8           H3*        G   8  -5.032   7.982  -5.105
   83    H2*    G   8          1H2*        G   8  -3.117   8.824  -3.932
   84   2HO*    G   8          2HO*        G   8  -4.587  10.952  -3.640
   85    H1*    G   8           H1*        G   8  -4.105   8.493  -1.397
   86    H8     G   8           H8         G   8  -5.846   5.771  -3.050
   87    H1     G   8           H1         G   8   0.425   4.568  -2.516
   88   1H2     G   8          1H2         G   8   0.689   7.920  -1.774
   89   2H2     G   8          2H2         G   8   1.515   6.395  -2.007
   90   1H5*    G   9          H5*         G   9  -3.307  11.494  -5.118
   91   2H5*    G   9          2H5*        G   9  -3.206  12.271  -6.710
   92    H4*    G   9           H4*        G   9  -1.073  12.493  -5.837
   93    H3*    G   9           H3*        G   9  -1.172  10.203  -7.771
   94    H2*    G   9          1H2*        G   9   1.160   9.746  -7.321
   95   2HO*    G   9          2HO*        G   9   2.427  11.279  -6.537
   96    H1*    G   9           H1*        G   9   0.884   9.772  -4.578
   97    H8     G   9           H8         G   9  -2.447   8.629  -5.689
   98    H1     G   9           H1         G   9   2.019   4.065  -6.205
   99   1H2     G   9          1H2         G   9   4.275   6.633  -5.694
  100   2H2     G   9          2H2         G   9   4.030   4.928  -5.993
  101   1H5*    C  10          H5*         C  10   2.322  11.754  -8.515
  102   2H5*    C  10          2H5*        C  10   2.428  12.367 -10.177
  103    H4*    C  10           H4*        C  10   4.351  11.082  -9.847
  104    H3*    C  10           H3*        C  10   2.328   9.602 -11.499
  105    H2*    C  10          1H2*        C  10   3.867   7.746 -11.638
  106   2HO*    C  10          2HO*        C  10   5.654   9.735 -11.001
  107    H1*    C  10           H1*        C  10   4.504   7.744  -8.929
  108   1H4     C  10          1H4         C  10  -1.562   5.148  -9.362
  109   2H4     C  10          2H4         C  10  -0.436   3.822  -9.460
  110    H5     C  10           H5         C  10  -0.817   7.473  -9.272
  111    H6     C  10           H6         C  10   1.133   8.937  -9.329
  112   1H5*    U  11          H5*         U  11   5.071   8.570 -13.361
  113   2H5*    U  11          2H5*        U  11   5.204   9.047 -15.065
  114    H4*    U  11           H4*        U  11   5.351   6.726 -15.089
  115    H3*    U  11           H3*        U  11   2.587   7.614 -15.859
  116    H2*    U  11          1H2*        U  11   1.911   5.330 -16.054
  117   2HO*    U  11          2HO*        U  11   3.307   3.775 -16.517
  118    H1*    U  11           H1*        U  11   3.422   4.388 -13.834
  119    H3     U  11           H3         U  11  -0.882   3.642 -12.707
  120    H5     U  11           H5         U  11  -0.260   7.754 -11.995
  121    H6     U  11           H6         U  11   1.875   7.527 -13.078
  122   1H5*    U  12          H5*         U  12   3.926   6.655 -20.921
  123   2H5*    U  12          2H5*        U  12   2.271   6.051 -21.130
  124    H4*    U  12           H4*        U  12   3.475   4.297 -21.934
  125    H3*    U  12           H3*        U  12   2.171   3.609 -19.708
  126    H2*    U  12          1H2*        U  12   3.950   4.100 -18.139
  127   2HO*    U  12          2HO*        U  12   3.584   1.507 -18.776
  128    H1*    U  12           H1*        U  12   5.924   2.747 -20.059
  129    H3     U  12           H3         U  12   9.149   3.534 -17.044
  130    H5     U  12           H5         U  12   7.314   7.281 -17.509
  131    H6     U  12           H6         U  12   5.678   6.220 -18.918
  132   1H5*    C  13          H5*         C  13   2.418  -0.048 -18.262
  133   2H5*    C  13          2H5*        C  13   1.400  -0.872 -19.459
  134    H4*    C  13           H4*        C  13   0.661  -1.116 -17.099
  135    H3*    C  13           H3*        C  13  -0.989  -1.081 -19.192
  136    H2*    C  13          1H2*        C  13  -1.294   1.334 -19.281
  137   2HO*    C  13          2HO*        C  13  -3.309   1.595 -17.775
  138    H1*    C  13           H1*        C  13  -1.635   1.291 -16.231
  139   1H4     C  13          1H4         C  13   0.084   7.449 -17.892
  140   2H4     C  13          2H4         C  13  -1.410   7.551 -16.989
  141    H5     C  13           H5         C  13   1.107   5.329 -18.481
  142    H6     C  13           H6         C  13   0.902   2.904 -18.311
  143   1H5*    G  14          H5*         G  14  -2.327  -3.602 -14.428
  144   2H5*    G  14          2H5*        G  14  -1.375  -2.394 -15.309
  145    H4*    G  14           H4*        G  14  -0.989  -5.307 -15.857
  146    H3*    G  14           H3*        G  14  -0.094  -3.928 -13.366
  147    H2*    G  14          1H2*        G  14   2.141  -4.726 -13.613
  148   2HO*    G  14          2HO*        G  14   0.852  -6.776 -14.753
  149    H1*    G  14           H1*        G  14   2.298  -4.523 -16.415
  150    H8     G  14           H8         G  14   4.442  -3.258 -15.595
  151    H1     G  14           H1         G  14   0.755   1.705 -13.888
  152   1H2     G  14          1H2         G  14  -1.879  -0.519 -14.320
  153   2H2     G  14          2H2         G  14  -1.379   1.106 -13.904
  154   1H5*    G  15          H5*         G  15   1.539  -5.173  -9.914
  155   2H5*    G  15          2H5*        G  15   0.813  -3.991 -11.019
  156    H4*    G  15           H4*        G  15   3.631  -4.985 -11.333
  157    H3*    G  15           H3*        G  15   2.652  -2.933  -9.420
  158    H2*    G  15          1H2*        G  15   4.322  -1.355 -10.092
  159   2HO*    G  15          2HO*        G  15   5.533  -3.662 -11.000
  160    H1*    G  15           H1*        G  15   3.977  -1.636 -12.797
  161    H8     G  15           H8         G  15   0.587  -2.341 -11.856
  162    H1     G  15           H1         G  15   1.995   3.784 -10.714
  163   1H2     G  15          1H2         G  15   5.275   2.786 -11.086
  164   2H2     G  15          2H2         G  15   4.168   4.099 -10.755
  165   1H5*    C  16          H5*         C  16   6.839  -2.596  -8.431
  166   2H5*    C  16          2H5*        C  16   6.845  -2.975  -6.698
  167    H4*    C  16           H4*        C  16   7.983  -0.893  -7.103
  168    H3*    C  16           H3*        C  16   5.400  -0.681  -5.577
  169    H2*    C  16          1H2*        C  16   5.746   1.703  -5.420
  170   2HO*    C  16          2HO*        C  16   8.310   0.955  -5.717
  171    H1*    C  16           H1*        C  16   6.464   2.032  -8.096
  172   1H4     C  16          1H4         C  16  -0.075   1.250  -8.282
  173   2H4     C  16          2H4         C  16   0.180   2.926  -7.835
  174    H5     C  16           H5         C  16   1.755  -0.339  -8.437
  175    H6     C  16           H6         C  16   4.165  -0.630  -8.208
  176   1H5*    C  17          H5*         C  17   8.097   2.053  -4.202
  177   2H5*    C  17          2H5*        C  17   8.708   1.340  -2.697
  178    H4*    C  17           H4*        C  17   8.687   3.574  -2.203
  179    H3*    C  17           H3*        C  17   6.152   2.373  -1.152
  180    H2*    C  17          1H2*        C  17   5.455   4.570  -0.404
  181   2HO*    C  17          2HO*        C  17   7.872   5.577  -1.522
  182    H1*    C  17           H1*        C  17   5.900   5.781  -2.828
  183   1H4     C  17          1H4         C  17   0.969   1.612  -4.212
  184   2H4     C  17          2H4         C  17   0.204   3.142  -3.865
  185    H5     C  17           H5         C  17   3.330   1.221  -3.953
  186    H6     C  17           H6         C  17   5.458   2.221  -3.322
  187   1H5*    U  18          H5*         U  18   7.951   4.204   2.670
  188   2H5*    U  18          2H5*        U  18   7.981   2.739   3.666
  189    H4*    U  18           H4*        U  18   6.305   3.418   4.997
  190    H3*    U  18           H3*        U  18   4.605   3.732   3.036
  191    H2*    U  18          1H2*        U  18   5.507   5.667   1.938
  192   2HO*    U  18          2HO*        U  18   4.148   6.996   4.062
  193    H1*    U  18           H1*        U  18   6.126   7.182   4.466
  194    H3     U  18           H3         U  18   9.652   9.388   2.904
  195    H5     U  18           H5         U  18   9.024   6.453  -0.031
  196    H6     U  18           H6         U  18   7.288   5.536   1.354
  197   1H5*    U  19          H5*         U  19   4.168   6.690   5.708
  198   2H5*    U  19          2H5*        U  19   3.059   6.408   7.064
  199    H4*    U  19           H4*        U  19   3.471   8.746   6.889
  200    H3*    U  19           H3*        U  19   0.706   7.864   6.163
  201    H2*    U  19          1H2*        U  19   0.104  10.116   5.582
  202   2HO*    U  19          2HO*        U  19   1.834  10.739   7.414
  203    H1*    U  19           H1*        U  19   2.407  10.688   4.140
  204    H3     U  19           H3         U  19  -1.156   9.973   1.304
  205    H5     U  19           H5         U  19   0.809   6.289   1.734
  206    H6     U  19           H6         U  19   2.097   7.271   3.516
  207   1H5*    G  20          H5*         G  20  -1.222   9.781   7.439
  208   2H5*    G  20          2H5*        G  20  -1.590   9.600   9.166
  209    H4*    G  20           H4*        G  20  -3.694   9.824   8.415
  210    H3*    G  20           H3*        G  20  -3.117   6.897   8.224
  211    H2*    G  20          1H2*        G  20  -5.225   6.532   7.091
  212   2HO*    G  20          2HO*        G  20  -5.890   8.783   8.342
  213    H1*    G  20           H1*        G  20  -4.826   8.461   5.195
  214    H8     G  20           H8         G  20  -1.324   7.755   5.880
  215    H1     G  20           H1         G  20  -4.175   2.861   2.866
  216   1H2     G  20          1H2         G  20  -7.109   4.481   3.668
  217   2H2     G  20          2H2         G  20  -6.347   3.106   2.903
  218   1H5*    U  21          H5*         U  21  -6.826   6.434   8.859
  219   2H5*    U  21          2H5*        U  21  -7.100   5.487  10.335
  220    H4*    U  21           H4*        U  21  -8.215   4.442   8.489
  221    H3*    U  21           H3*        U  21  -5.893   2.934   9.637
  222    H2*    U  21          1H2*        U  21  -6.178   1.212   7.986
  223   2HO*    U  21          2HO*        U  21  -8.653   1.730   8.187
  224    H1*    U  21           H1*        U  21  -6.584   2.928   5.823
  225    H3     U  21           H3         U  21  -2.422   1.003   5.494
  226    H5     U  21           H5         U  21  -1.913   4.533   7.691
  227    H6     U  21           H6         U  21  -4.309   4.707   7.835
  228   1H5*    U  22          H5*         U  22  -9.642   0.118   9.867
  229   2H5*    U  22          2H5*        U  22  -9.337  -0.761  11.378
  230    H4*    U  22           H4*        U  22  -9.887  -2.202   9.434
  231    H3*    U  22           H3*        U  22  -7.302  -2.632  10.910
  232    H2*    U  22          1H2*        U  22  -6.801  -4.445   9.407
  233   2HO*    U  22          2HO*        U  22  -9.493  -4.494   9.215
  234    H1*    U  22           H1*        U  22  -7.629  -3.109   7.084
  235    H3     U  22           H3         U  22  -3.052  -3.605   7.189
  236    H5     U  22           H5         U  22  -3.914   0.127   8.923
  237    H6     U  22           H6         U  22  -6.232  -0.517   8.957
  238   1H5*    U  23          H5*         U  23  -9.124  -6.233   9.795
  239   2H5*    U  23          2H5*        U  23  -9.575  -7.062  11.297
  240    H4*    U  23           H4*        U  23  -8.808  -8.786   9.994
  241    H3*    U  23           H3*        U  23  -6.539  -7.879  11.742
  242    H2*    U  23          1H2*        U  23  -5.154  -9.585  10.718
  243   2HO*    U  23          2HO*        U  23  -7.416 -10.813  10.352
  244    H1*    U  23           H1*        U  23  -5.806  -8.867   8.132
  245    H3     U  23           H3         U  23  -1.810  -6.844   8.719
  246    H5     U  23           H5         U  23  -4.515  -4.393  10.788
  247    H6     U  23           H6         U  23  -6.204  -6.060  10.397
  248   1H5*    C  24          H5*         C  24  -6.241 -11.607  11.792
  249   2H5*    C  24          2H5*        C  24  -5.911 -12.407  13.341
  250    H4*    C  24           H4*        C  24  -4.151 -12.880  11.778
  251    H3*    C  24           H3*        C  24  -3.315 -11.099  14.062
  252    H2*    C  24          1H2*        C  24  -1.063 -11.237  13.187
  253   2HO*    C  24          2HO*        C  24  -1.997 -13.525  12.168
  254    H1*    C  24           H1*        C  24  -1.846 -10.726  10.554
  255   1H4     C  24          1H4         C  24  -2.179  -4.873  13.572
  256   2H4     C  24          2H4         C  24  -0.466  -5.162  13.316
  257    H5     C  24           H5         C  24  -3.855  -6.579  13.097
  258    H6     C  24           H6         C  24  -4.200  -8.867  12.320
  259   1H5*    C  25          H5*         C  25  -0.361 -13.974  13.793
  260   2H5*    C  25          2H5*        C  25  -0.523 -14.969  15.253
  261    H4*    C  25           H4*        C  25   1.763 -14.715  14.995
  262    H3*    C  25           H3*        C  25   0.733 -12.815  17.070
  263    H2*    C  25          1H2*        C  25   2.936 -11.890  17.334
  264   2HO*    C  25          2HO*        C  25   4.728 -12.920  16.598
  265    H1*    C  25           H1*        C  25   3.494 -11.693  14.615
  266   1H4     C  25          1H4         C  25  -0.727  -6.761  15.809
  267   2H4     C  25          2H4         C  25   0.877  -6.092  16.018
  268    H5     C  25           H5         C  25  -1.114  -9.120  15.394
  269    H6     C  25           H6         C  25  -0.047 -11.294  15.106
  270    H3T    C  25           H3T        C  25   1.132 -15.228  17.137
  Start of MODEL   28
    1   1H5*    G   1          H5*         G   1   7.782  -1.716  17.877
    2   2H5*    G   1          2H5*        G   1   9.346  -1.562  18.699
    3    H4*    G   1           H4*        G   1  10.397  -2.908  16.947
    4    H3*    G   1           H3*        G   1   7.665  -2.951  15.706
    5    H2*    G   1          1H2*        G   1   7.971  -5.252  15.116
    6   2HO*    G   1          2HO*        G   1   9.922  -6.017  14.760
    7    H1*    G   1           H1*        G   1   9.071  -6.048  17.549
    8    H8     G   1           H8         G   1   6.556  -3.706  18.698
    9    H1     G   1           H1         G   1   3.898  -8.983  16.213
   10   1H2     G   1          1H2         G   1   7.046  -9.580  14.928
   11   2H2     G   1          2H2         G   1   5.386 -10.114  15.068
   12    H5T    G   1           H5T        G   1   9.978  -0.158  17.257
   13   1H5*    G   2          H5*         G   2  10.428  -5.005  13.489
   14   2H5*    G   2          2H5*        G   2  10.695  -4.148  11.958
   15    H4*    G   2           H4*        G   2  10.777  -6.415  11.421
   16    H3*    G   2           H3*        G   2   8.228  -5.119  10.573
   17    H2*    G   2          1H2*        G   2   7.309  -7.234   9.872
   18   2HO*    G   2          2HO*        G   2   9.841  -7.826   9.491
   19    H1*    G   2           H1*        G   2   7.996  -8.646  12.133
   20    H8     G   2           H8         G   2   7.492  -5.159  13.329
   21    H1     G   2           H1         G   2   1.998  -8.325  12.461
   22   1H2     G   2          1H2         G   2   3.963 -10.650  10.783
   23   2H2     G   2          2H2         G   2   2.359 -10.188  11.301
   24   1H5*    A   3          H5*         A   3   8.692  -7.667   7.911
   25   2H5*    A   3          2H5*        A   3   8.827  -7.068   6.247
   26    H4*    A   3           H4*        A   3   7.145  -8.668   6.164
   27    H3*    A   3           H3*        A   3   5.898  -5.928   6.275
   28    H2*    A   3          1H2*        A   3   3.741  -7.004   6.107
   29   2HO*    A   3          2HO*        A   3   5.144  -8.869   4.862
   30    H1*    A   3           H1*        A   3   4.325  -8.969   8.010
   31    H8     A   3           H8         A   3   5.988  -5.928   9.308
   32   1H6     A   3          1H6         A   3   2.202  -3.827  11.510
   33   2H6     A   3          2H6         A   3   0.473  -4.104  11.458
   34    H2     A   3           H2         A   3  -0.191  -7.533   8.648
   35   1H5*    A   4          H5*         A   4   4.402  -7.912   2.687
   36   2H5*    A   4          2H5*        A   4   3.973  -6.704   1.462
   37    H4*    A   4           H4*        A   4   2.118  -8.214   2.144
   38    H3*    A   4           H3*        A   4   1.769  -5.234   2.407
   39    H2*    A   4          1H2*        A   4  -0.486  -5.657   3.180
   40   2HO*    A   4          2HO*        A   4  -1.062  -8.019   3.364
   41    H1*    A   4           H1*        A   4   0.264  -7.640   4.982
   42    H8     A   4           H8         A   4   3.125  -5.345   5.210
   43   1H6     A   4          1H6         A   4   1.236  -1.953   8.174
   44   2H6     A   4          2H6         A   4  -0.404  -1.606   8.685
   45    H2     A   4           H2         A   4  -3.059  -4.659   6.788
   46   1H5*    G   5          H5*         G   5  -1.697  -6.990   0.257
   47   2H5*    G   5          2H5*        G   5  -2.016  -5.889  -1.097
   48    H4*    G   5           H4*        G   5  -4.039  -6.465   0.150
   49    H3*    G   5           H3*        G   5  -3.232  -3.561   0.138
   50    H2*    G   5          1H2*        G   5  -5.289  -3.113   1.354
   51   2HO*    G   5          2HO*        G   5  -6.005  -5.445   0.226
   52    H1*    G   5           H1*        G   5  -4.839  -5.108   3.225
   53    H8     G   5           H8         G   5  -1.403  -4.096   2.522
   54    H1     G   5           H1         G   5  -4.585   0.373   5.849
   55   1H2     G   5          1H2         G   5  -7.394  -1.391   4.945
   56   2H2     G   5          2H2         G   5  -6.725  -0.010   5.787
   57   1H5*    C   6          H5*         C   6  -7.081  -3.832  -0.154
   58   2H5*    C   6          2H5*        C   6  -7.715  -3.208  -1.690
   59    H4*    C   6           H4*        C   6  -9.170  -2.414  -0.047
   60    H3*    C   6           H3*        C   6  -7.290  -0.259  -0.960
   61    H2*    C   6          1H2*        C   6  -8.355   1.268   0.586
   62   2HO*    C   6          2HO*        C   6 -10.406  -0.387   0.267
   63    H1*    C   6           H1*        C   6  -8.264  -0.468   2.741
   64   1H4     C   6          1H4         C   6  -1.970   1.282   1.930
   65   2H4     C   6          2H4         C   6  -2.650   2.533   2.947
   66    H5     C   6           H5         C   6  -3.280  -0.450   0.899
   67    H6     C   6           H6         C   6  -5.523  -1.368   0.642
   68   1H5*    A   7          H5*         A   7 -10.580   1.240  -0.916
   69   2H5*    A   7          2H5*        A   7 -11.350   2.214  -2.184
   70    H4*    A   7           H4*        A   7 -11.238   3.597  -0.302
   71    H3*    A   7           H3*        A   7  -9.146   4.300  -2.333
   72    H2*    A   7          1H2*        A   7  -8.284   5.994  -0.877
   73   2HO*    A   7          2HO*        A   7 -10.764   6.253  -0.210
   74    H1*    A   7           H1*        A   7  -8.588   4.524   1.518
   75    H8     A   7           H8         A   7  -7.139   2.020  -0.695
   76   1H6     A   7          1H6         A   7  -2.455   3.258  -0.442
   77   2H6     A   7          2H6         A   7  -1.618   4.687   0.132
   78    H2     A   7           H2         A   7  -4.766   7.525   1.598
   79   1H5*    G   8          H5*         G   8  -9.400   7.993  -5.181
   80   2H5*    G   8          2H5*        G   8  -8.415   6.538  -4.937
   81    H4*    G   8           H4*        G   8  -8.031   9.306  -3.889
   82    H3*    G   8           H3*        G   8  -6.412   7.414  -5.518
   83    H2*    G   8          1H2*        G   8  -4.385   8.010  -4.390
   84   2HO*    G   8          2HO*        G   8  -5.690  10.306  -4.013
   85    H1*    G   8           H1*        G   8  -5.352   7.880  -1.826
   86    H8     G   8           H8         G   8  -7.458   5.348  -3.320
   87    H1     G   8           H1         G   8  -1.366   3.393  -2.980
   88   1H2     G   8          1H2         G   8  -0.666   6.720  -2.365
   89   2H2     G   8          2H2         G   8  -0.042   5.098  -2.576
   90   1H5*    G   9          H5*         G   9  -4.125  10.658  -5.346
   91   2H5*    G   9          2H5*        G   9  -3.900  11.388  -6.948
   92    H4*    G   9           H4*        G   9  -1.778  11.298  -5.934
   93    H3*    G   9           H3*        G   9  -2.123   9.250  -8.098
   94    H2*    G   9          1H2*        G   9   0.108   8.434  -7.664
   95   2HO*    G   9          2HO*        G   9   0.410  10.923  -6.697
   96    H1*    G   9           H1*        G   9  -0.191   8.290  -4.919
   97    H8     G   9           H8         G   9  -3.600   7.577  -6.156
   98    H1     G   9           H1         G   9   0.415   2.647  -6.966
   99   1H2     G   9          1H2         G   9   2.885   4.924  -6.168
  100   2H2     G   9          2H2         G   9   2.487   3.276  -6.606
  101   1H5*    C  10          H5*         C  10   1.684  10.599  -8.069
  102   2H5*    C  10          2H5*        C  10   1.983  11.515  -9.559
  103    H4*    C  10           H4*        C  10   3.921  10.274  -9.214
  104    H3*    C  10           H3*        C  10   2.214   8.974 -11.316
  105    H2*    C  10          1H2*        C  10   3.877   7.247 -11.536
  106   2HO*    C  10          2HO*        C  10   5.913   7.516 -10.843
  107    H1*    C  10           H1*        C  10   4.248   6.895  -8.785
  108   1H4     C  10          1H4         C  10  -1.424   3.879 -10.354
  109   2H4     C  10          2H4         C  10  -0.185   2.656 -10.425
  110    H5     C  10           H5         C  10  -0.936   6.221  -9.921
  111    H6     C  10           H6         C  10   0.844   7.843  -9.537
  112   1H5*    U  11          H5*         U  11   5.334   8.795 -13.088
  113   2H5*    U  11          2H5*        U  11   5.529   9.544 -14.685
  114    H4*    U  11           H4*        U  11   6.022   7.304 -15.038
  115    H3*    U  11           H3*        U  11   3.188   7.846 -15.890
  116    H2*    U  11          1H2*        U  11   2.981   5.544 -16.511
  117   2HO*    U  11          2HO*        U  11   4.837   4.189 -16.544
  118    H1*    U  11           H1*        U  11   4.463   4.538 -14.307
  119    H3     U  11           H3         U  11   0.266   2.913 -13.800
  120    H5     U  11           H5         U  11   0.066   6.899 -12.450
  121    H6     U  11           H6         U  11   2.301   7.208 -13.284
  122   1H5*    U  12          H5*         U  12   4.056   7.819 -21.108
  123   2H5*    U  12          2H5*        U  12   2.474   7.045 -20.887
  124    H4*    U  12           H4*        U  12   3.643   5.645 -22.341
  125    H3*    U  12           H3*        U  12   2.700   4.471 -20.165
  126    H2*    U  12          1H2*        U  12   4.619   4.840 -18.734
  127   2HO*    U  12          2HO*        U  12   4.249   2.383 -19.618
  128    H1*    U  12           H1*        U  12   6.458   3.957 -21.018
  129    H3     U  12           H3         U  12   9.881   4.640 -18.202
  130    H5     U  12           H5         U  12   7.737   8.244 -18.029
  131    H6     U  12           H6         U  12   6.068   7.228 -19.431
  132   1H5*    C  13          H5*         C  13   3.736   0.579 -19.562
  133   2H5*    C  13          2H5*        C  13   2.447  -0.171 -20.524
  134    H4*    C  13           H4*        C  13   2.543  -0.808 -18.095
  135    H3*    C  13           H3*        C  13   0.354  -0.837 -19.589
  136    H2*    C  13          1H2*        C  13  -0.237   1.509 -19.313
  137   2HO*    C  13          2HO*        C  13  -1.455  -0.013 -17.227
  138    H1*    C  13           H1*        C  13   0.302   1.205 -16.313
  139   1H4     C  13          1H4         C  13   0.994   7.620 -17.678
  140   2H4     C  13          2H4         C  13  -0.250   7.483 -16.456
  141    H5     C  13           H5         C  13   2.027   5.677 -18.698
  142    H6     C  13           H6         C  13   2.070   3.242 -18.756
  143   1H5*    G  14          H5*         G  14   1.570  -2.973 -18.834
  144   2H5*    G  14          2H5*        G  14   1.083  -4.523 -19.545
  145    H4*    G  14           H4*        G  14   2.185  -5.739 -18.023
  146    H3*    G  14           H3*        G  14   1.390  -3.727 -15.932
  147    H2*    G  14          1H2*        G  14   3.251  -4.430 -14.600
  148   2HO*    G  14          2HO*        G  14   3.413  -6.575 -14.676
  149    H1*    G  14           H1*        G  14   5.040  -4.753 -16.778
  150    H8     G  14           H8         G  14   6.712  -2.962 -16.295
  151    H1     G  14           H1         G  14   2.166   1.223 -14.568
  152   1H2     G  14          1H2         G  14  -0.033  -1.352 -15.350
  153   2H2     G  14          2H2         G  14   0.161   0.288 -14.773
  154   1H5*    G  15          H5*         G  15   2.042  -6.622 -13.570
  155   2H5*    G  15          2H5*        G  15   1.164  -6.436 -12.040
  156    H4*    G  15           H4*        G  15   3.691  -5.853 -12.194
  157    H3*    G  15           H3*        G  15   1.604  -4.347 -10.664
  158    H2*    G  15          1H2*        G  15   3.263  -2.706 -10.035
  159   2HO*    G  15          2HO*        G  15   4.963  -4.443  -9.950
  160    H1*    G  15           H1*        G  15   4.244  -2.342 -12.586
  161    H8     G  15           H8         G  15   0.664  -3.266 -13.034
  162    H1     G  15           H1         G  15   1.513   2.841 -11.332
  163   1H2     G  15          1H2         G  15   4.769   1.912 -10.735
  164   2H2     G  15          2H2         G  15   3.582   3.194 -10.731
  165   1H5*    C  16          H5*         C  16   5.037  -4.597  -8.069
  166   2H5*    C  16          2H5*        C  16   4.444  -4.827  -6.414
  167    H4*    C  16           H4*        C  16   5.920  -2.854  -6.723
  168    H3*    C  16           H3*        C  16   3.144  -2.451  -5.628
  169    H2*    C  16          1H2*        C  16   3.649  -0.106  -5.413
  170   2HO*    C  16          2HO*        C  16   6.077  -0.988  -5.041
  171    H1*    C  16           H1*        C  16   4.949   0.099  -7.904
  172   1H4     C  16          1H4         C  16  -1.525   0.391  -9.166
  173   2H4     C  16          2H4         C  16  -1.005   2.042  -8.885
  174    H5     C  16           H5         C  16  -0.044  -1.506  -8.829
  175    H6     C  16           H6         C  16   2.207  -2.185  -8.177
  176   1H5*    C  17          H5*         C  17   6.186  -0.413  -3.385
  177   2H5*    C  17          2H5*        C  17   5.979  -0.822  -1.671
  178    H4*    C  17           H4*        C  17   6.406   1.526  -1.907
  179    H3*    C  17           H3*        C  17   3.649   0.826  -0.950
  180    H2*    C  17          1H2*        C  17   3.145   3.185  -0.822
  181   2HO*    C  17          2HO*        C  17   5.198   3.953  -0.176
  182    H1*    C  17           H1*        C  17   3.990   3.723  -3.381
  183   1H4     C  17          1H4         C  17  -1.290  -0.109  -4.419
  184   2H4     C  17          2H4         C  17  -1.921   1.514  -4.282
  185    H5     C  17           H5         C  17   1.031  -0.656  -4.016
  186    H6     C  17           H6         C  17   3.210   0.240  -3.392
  187   1H5*    U  18          H5*         U  18   6.601   3.801   0.812
  188   2H5*    U  18          2H5*        U  18   6.659   3.269   2.504
  189    H4*    U  18           H4*        U  18   7.019   5.445   2.863
  190    H3*    U  18           H3*        U  18   4.459   4.883   3.557
  191    H2*    U  18          1H2*        U  18   3.325   5.737   1.651
  192   2HO*    U  18          2HO*        U  18   3.951   7.956   3.324
  193    H1*    U  18           H1*        U  18   5.347   8.008   1.366
  194    H3     U  18           H3         U  18   4.062   9.114  -2.741
  195    H5     U  18           H5         U  18   2.743   5.149  -2.405
  196    H6     U  18           H6         U  18   3.744   5.063  -0.238
  197   1H5*    U  19          H5*         U  19   2.689   8.732   6.962
  198   2H5*    U  19          2H5*        U  19   1.814   7.579   5.936
  199    H4*    U  19           H4*        U  19   2.072  10.519   5.731
  200    H3*    U  19           H3*        U  19  -0.142   8.534   5.388
  201    H2*    U  19          1H2*        U  19  -1.199   9.948   3.757
  202   2HO*    U  19          2HO*        U  19  -0.199  11.860   5.137
  203    H1*    U  19           H1*        U  19   1.110  10.558   2.337
  204    H3     U  19           H3         U  19  -0.709   7.568  -0.456
  205    H5     U  19           H5         U  19   0.581   5.229   2.777
  206    H6     U  19           H6         U  19   1.113   7.265   3.940
  207   1H5*    G  20          H5*         G  20  -2.290  10.945   6.646
  208   2H5*    G  20          2H5*        G  20  -2.647  11.595   8.258
  209    H4*    G  20           H4*        G  20  -4.763  11.092   7.968
  210    H3*    G  20           H3*        G  20  -3.737   8.280   8.022
  211    H2*    G  20          1H2*        G  20  -5.869   7.490   7.183
  212   2HO*    G  20          2HO*        G  20  -6.721   9.799   8.231
  213    H1*    G  20           H1*        G  20  -5.942   9.220   5.062
  214    H8     G  20           H8         G  20  -2.326   9.056   5.454
  215    H1     G  20           H1         G  20  -4.710   3.551   3.187
  216   1H2     G  20          1H2         G  20  -7.763   4.844   4.152
  217   2H2     G  20          2H2         G  20  -6.888   3.510   3.433
  218   1H5*    U  21          H5*         U  21  -7.334   7.524   8.973
  219   2H5*    U  21          2H5*        U  21  -7.424   6.846  10.610
  220    H4*    U  21           H4*        U  21  -8.625   5.404   9.168
  221    H3*    U  21           H3*        U  21  -6.011   4.278  10.111
  222    H2*    U  21          1H2*        U  21  -6.391   2.296   8.805
  223   2HO*    U  21          2HO*        U  21  -8.479   1.775   8.874
  224    H1*    U  21           H1*        U  21  -7.238   3.619   6.506
  225    H3     U  21           H3         U  21  -3.018   2.110   5.673
  226    H5     U  21           H5         U  21  -2.510   5.746   7.698
  227    H6     U  21           H6         U  21  -4.878   5.757   8.124
  228   1H5*    U  22          H5*         U  22  -9.358   1.370  10.444
  229   2H5*    U  22          2H5*        U  22  -9.154   0.538  11.997
  230    H4*    U  22           H4*        U  22  -9.565  -0.994  10.121
  231    H3*    U  22           H3*        U  22  -6.986  -1.266  11.644
  232    H2*    U  22          1H2*        U  22  -6.408  -3.128  10.230
  233   2HO*    U  22          2HO*        U  22  -8.031  -4.324   9.577
  234    H1*    U  22           H1*        U  22  -7.211  -1.901   7.845
  235    H3     U  22           H3         U  22  -2.652  -2.091   7.862
  236    H5     U  22           H5         U  22  -3.639   1.412   9.947
  237    H6     U  22           H6         U  22  -5.935   0.691   9.918
  238   1H5*    U  23          H5*         U  23  -8.969  -4.945  11.020
  239   2H5*    U  23          2H5*        U  23  -8.693  -6.128  12.314
  240    H4*    U  23           H4*        U  23  -8.093  -6.918  10.036
  241    H3*    U  23           H3*        U  23  -5.984  -6.916  12.188
  242    H2*    U  23          1H2*        U  23  -4.484  -7.933  10.584
  243   2HO*    U  23          2HO*        U  23  -5.339  -8.399   8.434
  244    H1*    U  23           H1*        U  23  -5.131  -6.159   8.530
  245    H3     U  23           H3         U  23  -0.995  -5.034  10.088
  246    H5     U  23           H5         U  23  -3.710  -3.058  12.604
  247    H6     U  23           H6         U  23  -5.475  -4.323  11.564
  248   1H5*    C  24          H5*         C  24  -5.956 -11.049  10.599
  249   2H5*    C  24          2H5*        C  24  -5.649 -12.071  12.016
  250    H4*    C  24           H4*        C  24  -4.046 -12.382  10.146
  251    H3*    C  24           H3*        C  24  -3.022 -11.609  12.867
  252    H2*    C  24          1H2*        C  24  -0.782 -11.674  11.984
  253   2HO*    C  24          2HO*        C  24  -0.317 -12.900  10.301
  254    H1*    C  24           H1*        C  24  -1.402 -10.325   9.608
  255   1H4     C  24          1H4         C  24  -1.040  -5.537  14.110
  256   2H4     C  24          2H4         C  24   0.618  -5.870  13.642
  257    H5     C  24           H5         C  24  -2.896  -6.916  13.354
  258    H6     C  24           H6         C  24  -3.518  -8.857  12.011
  259   1H5*    C  25          H5*         C  25  -0.485 -14.553  11.068
  260   2H5*    C  25          2H5*        C  25  -0.439 -15.904  12.217
  261    H4*    C  25           H4*        C  25   1.774 -15.447  11.410
  262    H3*    C  25           H3*        C  25   1.291 -14.849  14.308
  263    H2*    C  25          1H2*        C  25   3.550 -14.066  14.529
  264   2HO*    C  25          2HO*        C  25   4.108 -15.847  12.794
  265    H1*    C  25           H1*        C  25   3.588 -12.600  12.149
  266   1H4     C  25          1H4         C  25   0.201  -8.838  16.376
  267   2H4     C  25          2H4         C  25   1.867  -8.330  16.514
  268    H5     C  25           H5         C  25  -0.490 -10.733  15.032
  269    H6     C  25           H6         C  25   0.279 -12.516  13.556
  270    H3T    C  25           H3T        C  25   1.373 -16.956  13.632
  Start of MODEL   29
    1   1H5*    G   1          H5*         G   1   6.452   1.349  18.536
    2   2H5*    G   1          2H5*        G   1   7.177   0.904  20.091
    3    H4*    G   1           H4*        G   1   8.859  -0.179  18.137
    4    H3*    G   1           H3*        G   1   5.990  -0.475  17.293
    5    H2*    G   1          1H2*        G   1   6.399  -2.784  16.804
    6   2HO*    G   1          2HO*        G   1   8.324  -3.147  15.972
    7    H1*    G   1           H1*        G   1   7.891  -3.309  19.108
    8    H8     G   1           H8         G   1   5.282  -1.111  20.382
    9    H1     G   1           H1         G   1   2.960  -6.851  18.717
   10   1H2     G   1          1H2         G   1   5.999  -7.276  17.137
   11   2H2     G   1          2H2         G   1   4.433  -7.949  17.530
   12    H5T    G   1           H5T        G   1   8.796   1.868  17.997
   13   1H5*    G   2          H5*         G   2   8.944  -1.935  14.251
   14   2H5*    G   2          2H5*        G   2   8.273  -1.642  12.635
   15    H4*    G   2           H4*        G   2   9.128  -3.933  12.962
   16    H3*    G   2           H3*        G   2   6.261  -3.517  12.185
   17    H2*    G   2          1H2*        G   2   5.935  -5.920  12.220
   18   2HO*    G   2          2HO*        G   2   7.744  -6.930  11.600
   19    H1*    G   2           H1*        G   2   7.032  -6.273  14.712
   20    H8     G   2           H8         G   2   5.796  -2.863  15.105
   21    H1     G   2           H1         G   2   0.991  -7.087  14.992
   22   1H2     G   2          1H2         G   2   3.369  -9.295  13.747
   23   2H2     G   2          2H2         G   2   1.700  -9.041  14.210
   24   1H5*    A   3          H5*         A   3   7.342  -6.610   9.977
   25   2H5*    A   3          2H5*        A   3   7.530  -6.116   8.283
   26    H4*    A   3           H4*        A   3   6.460  -8.130   8.084
   27    H3*    A   3           H3*        A   3   4.502  -5.900   7.878
   28    H2*    A   3          1H2*        A   3   2.626  -7.395   7.937
   29   2HO*    A   3          2HO*        A   3   2.995  -9.238   6.933
   30    H1*    A   3           H1*        A   3   3.464  -8.915  10.064
   31    H8     A   3           H8         A   3   4.938  -5.552  10.707
   32   1H6     A   3          1H6         A   3   1.170  -3.450  12.920
   33   2H6     A   3          2H6         A   3  -0.520  -3.879  13.086
   34    H2     A   3           H2         A   3  -1.054  -7.822  11.022
   35   1H5*    A   4          H5*         A   4   3.664  -8.862   5.209
   36   2H5*    A   4          2H5*        A   4   3.544  -8.377   3.507
   37    H4*    A   4           H4*        A   4   1.713  -9.776   3.906
   38    H3*    A   4           H3*        A   4   0.935  -6.889   3.762
   39    H2*    A   4          1H2*        A   4  -1.360  -7.479   4.253
   40   2HO*    A   4          2HO*        A   4  -0.789  -9.704   3.103
   41    H1*    A   4           H1*        A   4  -0.767  -9.039   6.435
   42    H8     A   4           H8         A   4   2.004  -6.543   6.302
   43   1H6     A   4          1H6         A   4  -0.077  -2.930   8.768
   44   2H6     A   4          2H6         A   4  -1.714  -2.613   9.299
   45    H2     A   4           H2         A   4  -4.176  -6.129   7.974
   46   1H5*    G   5          H5*         G   5  -1.771  -8.736   1.380
   47   2H5*    G   5          2H5*        G   5  -2.090  -7.909  -0.157
   48    H4*    G   5           H4*        G   5  -4.139  -8.166   1.051
   49    H3*    G   5           H3*        G   5  -3.164  -5.325   0.858
   50    H2*    G   5          1H2*        G   5  -5.183  -4.648   2.018
   51   2HO*    G   5          2HO*        G   5  -6.061  -7.006   1.052
   52    H1*    G   5           H1*        G   5  -4.909  -6.534   4.031
   53    H8     G   5           H8         G   5  -1.397  -5.840   3.307
   54    H1     G   5           H1         G   5  -4.255  -0.907   6.240
   55   1H2     G   5          1H2         G   5  -7.193  -2.516   5.432
   56   2H2     G   5          2H2         G   5  -6.425  -1.132   6.179
   57   1H5*    C   6          H5*         C   6  -6.967  -5.045   0.521
   58   2H5*    C   6          2H5*        C   6  -7.407  -4.765  -1.175
   59    H4*    C   6           H4*        C   6  -8.865  -3.395  -0.054
   60    H3*    C   6           H3*        C   6  -6.532  -1.814  -1.030
   61    H2*    C   6          1H2*        C   6  -7.276   0.150   0.131
   62   2HO*    C   6          2HO*        C   6  -9.353   0.435   0.471
   63    H1*    C   6           H1*        C   6  -7.909  -1.093   2.525
   64   1H4     C   6          1H4         C   6  -1.323  -1.078   2.516
   65   2H4     C   6          2H4         C   6  -1.788   0.440   3.248
   66    H5     C   6           H5         C   6  -2.908  -2.598   1.521
   67    H6     C   6           H6         C   6  -5.263  -2.984   1.034
   68   1H5*    A   7          H5*         A   7  -9.357   0.501  -1.433
   69   2H5*    A   7          2H5*        A   7  -9.653   1.343  -2.967
   70    H4*    A   7           H4*        A   7  -9.377   2.997  -1.305
   71    H3*    A   7           H3*        A   7  -6.956   2.778  -3.082
   72    H2*    A   7          1H2*        A   7  -5.943   4.549  -1.835
   73   2HO*    A   7          2HO*        A   7  -7.217   6.114  -1.193
   74    H1*    A   7           H1*        A   7  -7.027   3.739   0.690
   75    H8     A   7           H8         A   7  -5.510   0.729  -0.816
   76   1H6     A   7          1H6         A   7  -0.879   1.416   0.506
   77   2H6     A   7          2H6         A   7  -0.016   2.788   1.171
   78    H2     A   7           H2         A   7  -2.976   6.123   1.569
   79   1H5*    G   8          H5*         G   8  -7.837   6.455  -2.743
   80   2H5*    G   8          2H5*        G   8  -7.888   7.510  -4.168
   81    H4*    G   8           H4*        G   8  -6.407   8.442  -2.541
   82    H3*    G   8           H3*        G   8  -5.140   7.459  -5.064
   83    H2*    G   8          1H2*        G   8  -2.955   8.015  -4.214
   84   2HO*    G   8          2HO*        G   8  -4.255   9.836  -2.886
   85    H1*    G   8           H1*        G   8  -3.284   6.826  -1.753
   86    H8     G   8           H8         G   8  -5.421   4.764  -3.920
   87    H1     G   8           H1         G   8   0.809   3.575  -4.822
   88   1H2     G   8          1H2         G   8   1.308   6.465  -2.982
   89   2H2     G   8          2H2         G   8   2.033   5.135  -3.855
   90   1H5*    G   9          H5*         G   9  -3.156  10.390  -4.735
   91   2H5*    G   9          2H5*        G   9  -3.101  11.569  -6.060
   92    H4*    G   9           H4*        G   9  -0.896  10.878  -5.770
   93    H3*    G   9           H3*        G   9  -2.051   9.342  -8.103
   94    H2*    G   9          1H2*        G   9   0.180   8.476  -8.427
   95   2HO*    G   9          2HO*        G   9   1.867   9.584  -7.752
   96    H1*    G   9           H1*        G   9   0.564   7.971  -5.678
   97    H8     G   9           H8         G   9  -2.937   7.015  -6.434
   98    H1     G   9           H1         G   9   1.362   2.825  -8.695
   99   1H2     G   9          1H2         G   9   3.682   5.242  -7.872
  100   2H2     G   9          2H2         G   9   3.384   3.648  -8.525
  101   1H5*    C  10          H5*         C  10   1.629  11.061  -8.661
  102   2H5*    C  10          2H5*        C  10   1.637  12.133 -10.074
  103    H4*    C  10           H4*        C  10   3.698  11.037 -10.102
  104    H3*    C  10           H3*        C  10   1.828   9.833 -12.124
  105    H2*    C  10          1H2*        C  10   3.597   8.323 -12.767
  106   2HO*    C  10          2HO*        C  10   5.124  10.311 -11.909
  107    H1*    C  10           H1*        C  10   4.343   7.688 -10.147
  108   1H4     C  10          1H4         C  10  -1.208   4.338 -11.472
  109   2H4     C  10          2H4         C  10   0.115   3.237 -11.736
  110    H5     C  10           H5         C  10  -0.874   6.672 -10.875
  111    H6     C  10           H6         C  10   0.798   8.406 -10.494
  112   1H5*    U  11          H5*         U  11   4.637  10.186 -14.234
  113   2H5*    U  11          2H5*        U  11   4.624  11.137 -15.733
  114    H4*    U  11           H4*        U  11   5.204   9.014 -16.440
  115    H3*    U  11           H3*        U  11   2.254   9.406 -16.882
  116    H2*    U  11          1H2*        U  11   2.132   7.183 -17.760
  117   2HO*    U  11          2HO*        U  11   4.014   6.023 -18.262
  118    H1*    U  11           H1*        U  11   3.948   6.054 -15.892
  119    H3     U  11           H3         U  11  -0.010   4.024 -15.080
  120    H5     U  11           H5         U  11  -0.343   7.815 -13.269
  121    H6     U  11           H6         U  11   1.736   8.409 -14.321
  122   1H5*    U  12          H5*         U  12   2.552  10.301 -22.073
  123   2H5*    U  12          2H5*        U  12   1.013   9.436 -21.892
  124    H4*    U  12           H4*        U  12   2.096   8.342 -23.631
  125    H3*    U  12           H3*        U  12   1.419   6.780 -21.597
  126    H2*    U  12          1H2*        U  12   3.464   7.005 -20.318
  127   2HO*    U  12          2HO*        U  12   3.058   4.711 -21.470
  128    H1*    U  12           H1*        U  12   5.069   6.619 -22.899
  129    H3     U  12           H3         U  12   8.769   6.951 -20.388
  130    H5     U  12           H5         U  12   6.558  10.360 -19.330
  131    H6     U  12           H6         U  12   4.769   9.530 -20.707
  132   1H5*    C  13          H5*         C  13   2.900   2.965 -21.757
  133   2H5*    C  13          2H5*        C  13   1.538   2.206 -22.604
  134    H4*    C  13           H4*        C  13   2.108   1.283 -20.333
  135    H3*    C  13           H3*        C  13  -0.288   1.188 -21.470
  136    H2*    C  13          1H2*        C  13  -1.052   3.388 -20.762
  137   2HO*    C  13          2HO*        C  13  -1.722   1.564 -18.664
  138    H1*    C  13           H1*        C  13   0.020   2.767 -17.961
  139   1H4     C  13          1H4         C  13  -0.169   9.340 -18.430
  140   2H4     C  13          2H4         C  13  -1.202   8.889 -17.091
  141    H5     C  13           H5         C  13   0.888   7.692 -19.862
  142    H6     C  13           H6         C  13   1.169   5.309 -20.288
  143   1H5*    G  14          H5*         G  14   1.048  -0.869 -21.332
  144   2H5*    G  14          2H5*        G  14   0.603  -2.393 -22.123
  145    H4*    G  14           H4*        G  14   2.114  -3.587 -20.995
  146    H3*    G  14           H3*        G  14   1.447  -1.982 -18.535
  147    H2*    G  14          1H2*        G  14   3.578  -2.585 -17.621
  148   2HO*    G  14          2HO*        G  14   3.135  -4.787 -18.994
  149    H1*    G  14           H1*        G  14   4.984  -2.419 -20.092
  150    H8     G  14           H8         G  14   6.536  -0.510 -19.667
  151    H1     G  14           H1         G  14   2.058   2.802 -16.476
  152   1H2     G  14          1H2         G  14  -0.005   0.115 -17.243
  153   2H2     G  14          2H2         G  14   0.153   1.672 -16.459
  154   1H5*    G  15          H5*         G  15   2.944  -5.066 -16.801
  155   2H5*    G  15          2H5*        G  15   2.330  -5.238 -15.145
  156    H4*    G  15           H4*        G  15   4.715  -4.304 -15.580
  157    H3*    G  15           H3*        G  15   2.779  -3.330 -13.511
  158    H2*    G  15          1H2*        G  15   4.343  -1.600 -12.880
  159   2HO*    G  15          2HO*        G  15   6.205  -3.088 -13.343
  160    H1*    G  15           H1*        G  15   4.819  -0.732 -15.453
  161    H8     G  15           H8         G  15   1.335  -2.033 -15.512
  162    H1     G  15           H1         G  15   1.816   3.755 -12.834
  163   1H2     G  15          1H2         G  15   5.213   3.191 -12.928
  164   2H2     G  15          2H2         G  15   3.918   4.282 -12.499
  165   1H5*    C  16          H5*         C  16   6.725  -3.489 -11.485
  166   2H5*    C  16          2H5*        C  16   6.348  -4.150  -9.882
  167    H4*    C  16           H4*        C  16   7.603  -2.016  -9.837
  168    H3*    C  16           H3*        C  16   4.932  -2.177  -8.462
  169    H2*    C  16          1H2*        C  16   5.215   0.111  -7.764
  170   2HO*    C  16          2HO*        C  16   7.697  -0.451  -7.659
  171    H1*    C  16           H1*        C  16   6.160   1.022 -10.240
  172   1H4     C  16          1H4         C  16  -0.396   0.493 -10.833
  173   2H4     C  16          2H4         C  16  -0.090   2.132 -10.302
  174    H5     C  16           H5         C  16   1.356  -1.172 -11.014
  175    H6     C  16           H6         C  16   3.739  -1.595 -10.723
  176   1H5*    C  17          H5*         C  17   8.080  -0.347  -5.610
  177   2H5*    C  17          2H5*        C  17   7.773  -1.346  -4.176
  178    H4*    C  17           H4*        C  17   7.980   0.946  -3.526
  179    H3*    C  17           H3*        C  17   5.221  -0.198  -3.224
  180    H2*    C  17          1H2*        C  17   4.477   1.933  -2.364
  181   2HO*    C  17          2HO*        C  17   7.203   2.255  -2.049
  182    H1*    C  17           H1*        C  17   5.549   3.398  -4.432
  183   1H4     C  17          1H4         C  17   0.658  -0.086  -7.217
  184   2H4     C  17          2H4         C  17  -0.017   1.483  -6.835
  185    H5     C  17           H5         C  17   2.896  -0.739  -6.589
  186    H6     C  17           H6         C  17   4.941  -0.026  -5.473
  187   1H5*    U  18          H5*         U  18   7.224   2.409  -0.321
  188   2H5*    U  18          2H5*        U  18   7.592   1.160   0.883
  189    H4*    U  18           H4*        U  18   7.467   2.761   2.385
  190    H3*    U  18           H3*        U  18   4.991   1.723   2.435
  191    H2*    U  18          1H2*        U  18   3.826   3.235   1.019
  192   2HO*    U  18          2HO*        U  18   4.112   4.627   3.497
  193    H1*    U  18           H1*        U  18   5.442   5.638   1.926
  194    H3     U  18           H3         U  18   4.180   8.075  -1.551
  195    H5     U  18           H5         U  18   4.047   4.177  -3.093
  196    H6     U  18           H6         U  18   4.800   3.377  -0.964
  197   1H5*    U  19          H5*         U  19   2.805   3.755   7.237
  198   2H5*    U  19          2H5*        U  19   2.452   4.161   5.546
  199    H4*    U  19           H4*        U  19   4.039   5.845   7.482
  200    H3*    U  19           H3*        U  19   1.146   5.952   6.758
  201    H2*    U  19          1H2*        U  19   1.228   8.333   6.472
  202   2HO*    U  19          2HO*        U  19   3.130   8.125   8.296
  203    H1*    U  19           H1*        U  19   3.633   8.433   5.082
  204    H3     U  19           H3         U  19   0.181   9.201   2.166
  205    H5     U  19           H5         U  19   0.813   5.054   2.161
  206    H6     U  19           H6         U  19   2.278   5.354   4.044
  207   1H5*    G  20          H5*         G  20  -0.290   8.683   7.809
  208   2H5*    G  20          2H5*        G  20  -0.877   8.374   9.454
  209    H4*    G  20           H4*        G  20  -2.757   9.170   8.416
  210    H3*    G  20           H3*        G  20  -2.813   6.189   8.439
  211    H2*    G  20          1H2*        G  20  -4.800   6.148   7.069
  212   2HO*    G  20          2HO*        G  20  -6.113   7.807   7.172
  213    H1*    G  20           H1*        G  20  -3.846   7.838   5.140
  214    H8     G  20           H8         G  20  -0.641   6.559   6.238
  215    H1     G  20           H1         G  20  -4.004   2.041   3.188
  216   1H2     G  20          1H2         G  20  -6.688   4.181   3.624
  217   2H2     G  20          2H2         G  20  -6.112   2.648   3.007
  218   1H5*    U  21          H5*         U  21  -6.310   6.594   8.815
  219   2H5*    U  21          2H5*        U  21  -7.125   5.960  10.258
  220    H4*    U  21           H4*        U  21  -8.170   4.985   8.384
  221    H3*    U  21           H3*        U  21  -6.490   3.125   9.990
  222    H2*    U  21          1H2*        U  21  -6.727   1.355   8.395
  223   2HO*    U  21          2HO*        U  21  -9.057   2.480   8.001
  224    H1*    U  21           H1*        U  21  -6.400   2.879   6.095
  225    H3     U  21           H3         U  21  -2.571   0.428   6.785
  226    H5     U  21           H5         U  21  -2.009   4.076   8.757
  227    H6     U  21           H6         U  21  -4.341   4.548   8.403
  228   1H5*    U  22          H5*         U  22 -10.205   0.636   9.436
  229   2H5*    U  22          2H5*        U  22 -10.608   0.275  11.126
  230    H4*    U  22           H4*        U  22 -10.628  -1.780   9.994
  231    H3*    U  22           H3*        U  22  -8.125  -1.474  11.637
  232    H2*    U  22          1H2*        U  22  -7.450  -3.670  10.908
  233   2HO*    U  22          2HO*        U  22  -8.949  -5.087  10.439
  234    H1*    U  22           H1*        U  22  -8.119  -3.258   8.224
  235    H3     U  22           H3         U  22  -3.616  -3.160   8.209
  236    H5     U  22           H5         U  22  -4.717   0.563   9.815
  237    H6     U  22           H6         U  22  -6.993  -0.217   9.851
  238   1H5*    U  23          H5*         U  23  -9.962  -5.296  12.090
  239   2H5*    U  23          2H5*        U  23  -9.690  -5.974  13.707
  240    H4*    U  23           H4*        U  23  -8.956  -7.428  11.830
  241    H3*    U  23           H3*        U  23  -6.962  -6.616  13.934
  242    H2*    U  23          1H2*        U  23  -5.312  -7.950  12.791
  243   2HO*    U  23          2HO*        U  23  -7.300  -9.455  12.198
  244    H1*    U  23           H1*        U  23  -6.051  -7.111  10.209
  245    H3     U  23           H3         U  23  -1.961  -5.305  11.014
  246    H5     U  23           H5         U  23  -4.684  -2.737  12.916
  247    H6     U  23           H6         U  23  -6.405  -4.362  12.481
  248   1H5*    C  24          H5*         C  24  -6.553 -11.006  13.602
  249   2H5*    C  24          2H5*        C  24  -6.316 -11.545  15.276
  250    H4*    C  24           H4*        C  24  -4.544 -12.271  13.698
  251    H3*    C  24           H3*        C  24  -3.818 -10.672  16.135
  252    H2*    C  24          1H2*        C  24  -1.508 -10.752  15.473
  253   2HO*    C  24          2HO*        C  24  -0.799 -12.397  14.331
  254    H1*    C  24           H1*        C  24  -1.976 -10.214  12.764
  255   1H4     C  24          1H4         C  24  -2.453  -4.359  15.741
  256   2H4     C  24          2H4         C  24  -0.742  -4.606  15.453
  257    H5     C  24           H5         C  24  -4.099  -6.091  15.317
  258    H6     C  24           H6         C  24  -4.429  -8.376  14.535
  259   1H5*    C  25          H5*         C  25  -1.126 -13.865  15.369
  260   2H5*    C  25          2H5*        C  25  -0.871 -14.793  16.861
  261    H4*    C  25           H4*        C  25   1.231 -14.328  15.762
  262    H3*    C  25           H3*        C  25   0.794 -13.056  18.444
  263    H2*    C  25          1H2*        C  25   2.951 -12.016  18.299
  264   2HO*    C  25          2HO*        C  25   3.678 -14.115  17.092
  265    H1*    C  25           H1*        C  25   2.725 -11.255  15.610
  266   1H4     C  25          1H4         C  25  -0.762  -6.797  19.007
  267   2H4     C  25          2H4         C  25   0.841  -6.128  18.836
  268    H5     C  25           H5         C  25  -1.333  -9.042  18.281
  269    H6     C  25           H6         C  25  -0.475 -11.085  17.262
  270    H3T    C  25           H3T        C  25   1.084 -15.260  18.282
  Start of MODEL   30
    1   1H5*    G   1          H5*         G   1   6.544  -0.954  17.342
    2   2H5*    G   1          2H5*        G   1   8.038  -0.437  18.145
    3    H4*    G   1           H4*        G   1   9.359  -1.866  16.745
    4    H3*    G   1           H3*        G   1   6.845  -2.344  15.181
    5    H2*    G   1          1H2*        G   1   7.471  -4.643  14.880
    6   2HO*    G   1          2HO*        G   1   9.934  -3.618  15.216
    7    H1*    G   1           H1*        G   1   8.228  -5.096  17.509
    8    H8     G   1           H8         G   1   5.447  -2.853  18.068
    9    H1     G   1           H1         G   1   3.450  -8.514  15.821
   10   1H2     G   1          1H2         G   1   6.777  -8.995  14.991
   11   2H2     G   1          2H2         G   1   5.150  -9.635  14.977
   12    H5T    G   1           H5T        G   1   8.171  -0.187  15.432
   13   1H5*    G   2          H5*         G   2   9.775  -4.516  13.458
   14   2H5*    G   2          2H5*        G   2  10.180  -3.756  11.907
   15    H4*    G   2           H4*        G   2  10.236  -6.013  11.434
   16    H3*    G   2           H3*        G   2   7.684  -4.786  10.506
   17    H2*    G   2          1H2*        G   2   6.768  -6.928   9.914
   18   2HO*    G   2          2HO*        G   2   9.290  -7.538   9.537
   19    H1*    G   2           H1*        G   2   7.476  -8.242  12.231
   20    H8     G   2           H8         G   2   6.898  -4.640  13.117
   21    H1     G   2           H1         G   2   1.534  -8.121  12.844
   22   1H2     G   2          1H2         G   2   3.541 -10.526  11.337
   23   2H2     G   2          2H2         G   2   1.936 -10.073  11.868
   24   1H5*    A   3          H5*         A   3   8.365  -7.094   7.324
   25   2H5*    A   3          2H5*        A   3   8.117  -6.213   5.805
   26    H4*    A   3           H4*        A   3   6.588  -8.038   5.902
   27    H3*    A   3           H3*        A   3   5.218  -5.372   6.255
   28    H2*    A   3          1H2*        A   3   3.134  -6.585   6.258
   29   2HO*    A   3          2HO*        A   3   3.220  -8.242   4.891
   30    H1*    A   3           H1*        A   3   4.050  -8.572   8.006
   31    H8     A   3           H8         A   3   5.584  -5.438   9.249
   32   1H6     A   3          1H6         A   3   1.864  -3.693  11.851
   33   2H6     A   3          2H6         A   3   0.164  -4.111  11.938
   34    H2     A   3           H2         A   3  -0.474  -7.559   9.154
   35   1H5*    A   4          H5*         A   4   3.927  -7.676   2.702
   36   2H5*    A   4          2H5*        A   4   3.233  -6.650   1.432
   37    H4*    A   4           H4*        A   4   1.808  -8.561   2.101
   38    H3*    A   4           H3*        A   4   0.786  -5.756   2.185
   39    H2*    A   4          1H2*        A   4  -1.286  -6.482   3.171
   40   2HO*    A   4          2HO*        A   4  -0.864  -8.633   1.815
   41    H1*    A   4           H1*        A   4  -0.170  -8.163   5.063
   42    H8     A   4           H8         A   4   2.394  -5.524   4.919
   43   1H6     A   4          1H6         A   4   0.323  -2.202   7.790
   44   2H6     A   4          2H6         A   4  -1.298  -2.008   8.423
   45    H2     A   4           H2         A   4  -3.694  -5.496   6.953
   46   1H5*    G   5          H5*         G   5  -2.327  -7.684   0.035
   47   2H5*    G   5          2H5*        G   5  -2.785  -6.687  -1.359
   48    H4*    G   5           H4*        G   5  -4.691  -7.113   0.068
   49    H3*    G   5           H3*        G   5  -3.776  -4.252  -0.096
   50    H2*    G   5          1H2*        G   5  -5.633  -3.655   1.339
   51   2HO*    G   5          2HO*        G   5  -6.573  -6.051   0.429
   52    H1*    G   5           H1*        G   5  -5.110  -5.638   3.203
   53    H8     G   5           H8         G   5  -1.714  -4.855   2.089
   54    H1     G   5           H1         G   5  -4.243  -0.152   5.638
   55   1H2     G   5          1H2         G   5  -7.238  -1.773   5.104
   56   2H2     G   5          2H2         G   5  -6.404  -0.416   5.832
   57   1H5*    C   6          H5*         C   6  -7.630  -4.014   0.059
   58   2H5*    C   6          2H5*        C   6  -8.265  -3.593  -1.544
   59    H4*    C   6           H4*        C   6  -9.556  -2.307  -0.156
   60    H3*    C   6           H3*        C   6  -7.296  -0.643  -1.196
   61    H2*    C   6          1H2*        C   6  -8.025   1.215   0.160
   62   2HO*    C   6          2HO*        C   6 -10.375  -0.026  -0.049
   63    H1*    C   6           H1*        C   6  -8.329  -0.245   2.487
   64   1H4     C   6          1H4         C   6  -1.783  -0.047   1.686
   65   2H4     C   6          2H4         C   6  -2.180   1.346   2.666
   66    H5     C   6           H5         C   6  -3.458  -1.485   0.704
   67    H6     C   6           H6         C   6  -5.849  -1.889   0.468
   68   1H5*    A   7          H5*         A   7 -10.386   1.708  -1.627
   69   2H5*    A   7          2H5*        A   7 -10.448   2.710  -3.090
   70    H4*    A   7           H4*        A   7 -10.328   4.109  -1.143
   71    H3*    A   7           H3*        A   7  -7.815   4.156  -2.813
   72    H2*    A   7          1H2*        A   7  -7.013   5.875  -1.319
   73   2HO*    A   7          2HO*        A   7  -9.577   6.410  -1.099
   74    H1*    A   7           H1*        A   7  -7.951   4.572   1.010
   75    H8     A   7           H8         A   7  -6.496   1.800  -0.868
   76   1H6     A   7          1H6         A   7  -1.774   2.466   0.110
   77   2H6     A   7          2H6         A   7  -0.878   3.803   0.803
   78    H2     A   7           H2         A   7  -3.830   7.046   1.699
   79   1H5*    G   8          H5*         G   8  -8.423   7.763  -2.212
   80   2H5*    G   8          2H5*        G   8  -8.836   8.745  -3.630
   81    H4*    G   8           H4*        G   8  -7.235  10.039  -2.672
   82    H3*    G   8           H3*        G   8  -5.910   8.318  -4.719
   83    H2*    G   8          1H2*        G   8  -3.730   9.061  -4.023
   84   2HO*    G   8          2HO*        G   8  -5.042  11.234  -3.371
   85    H1*    G   8           H1*        G   8  -4.146   8.791  -1.308
   86    H8     G   8           H8         G   8  -6.197   6.156  -3.018
   87    H1     G   8           H1         G   8  -0.023   4.591  -2.305
   88   1H2     G   8          1H2         G   8   0.401   7.914  -1.449
   89   2H2     G   8          2H2         G   8   1.146   6.351  -1.691
   90   1H5*    G   9          H5*         G   9  -4.060  11.541  -5.328
   91   2H5*    G   9          2H5*        G   9  -4.032  12.205  -6.973
   92    H4*    G   9           H4*        G   9  -1.791  11.888  -6.325
   93    H3*    G   9           H3*        G   9  -2.665   9.731  -8.245
   94    H2*    G   9          1H2*        G   9  -0.383   8.934  -8.196
   95   2HO*    G   9          2HO*        G   9   0.063  11.501  -7.400
   96    H1*    G   9           H1*        G   9  -0.175   9.105  -5.405
   97    H8     G   9           H8         G   9  -3.617   7.938  -5.866
   98    H1     G   9           H1         G   9   0.695   3.406  -7.289
   99   1H2     G   9          1H2         G   9   2.988   5.979  -7.154
  100   2H2     G   9          2H2         G   9   2.699   4.275  -7.419
  101   1H5*    C  10          H5*         C  10   1.043  11.293  -8.937
  102   2H5*    C  10          2H5*        C  10   1.054  12.105 -10.515
  103    H4*    C  10           H4*        C  10   3.144  11.120 -10.364
  104    H3*    C  10           H3*        C  10   1.337   9.449 -12.076
  105    H2*    C  10          1H2*        C  10   3.117   7.850 -12.362
  106   2HO*    C  10          2HO*        C  10   5.167   8.412 -12.088
  107    H1*    C  10           H1*        C  10   3.840   7.767  -9.677
  108   1H4     C  10          1H4         C  10  -1.831   4.393 -10.206
  109   2H4     C  10          2H4         C  10  -0.538   3.224 -10.227
  110    H5     C  10           H5         C  10  -1.416   6.793 -10.159
  111    H6     C  10           H6         C  10   0.313   8.512 -10.175
  112   1H5*    U  11          H5*         U  11   4.291   9.262 -13.936
  113   2H5*    U  11          2H5*        U  11   4.435   9.771 -15.629
  114    H4*    U  11           H4*        U  11   5.098   7.542 -15.626
  115    H3*    U  11           H3*        U  11   2.265   7.787 -16.593
  116    H2*    U  11          1H2*        U  11   2.149   5.414 -16.823
  117   2HO*    U  11          2HO*        U  11   3.970   4.143 -16.872
  118    H1*    U  11           H1*        U  11   3.691   4.820 -14.507
  119    H3     U  11           H3         U  11  -0.477   3.077 -13.898
  120    H5     U  11           H5         U  11  -0.740   7.122 -12.762
  121    H6     U  11           H6         U  11   1.460   7.440 -13.677
  122   1H5*    U  12          H5*         U  12   3.492   7.052 -21.672
  123   2H5*    U  12          2H5*        U  12   1.947   6.184 -21.575
  124    H4*    U  12           H4*        U  12   3.404   4.691 -22.601
  125    H3*    U  12           H3*        U  12   2.248   3.777 -20.387
  126    H2*    U  12          1H2*        U  12   3.966   4.501 -18.830
  127   2HO*    U  12          2HO*        U  12   5.471   2.356 -19.010
  128    H1*    U  12           H1*        U  12   6.063   3.411 -20.787
  129    H3     U  12           H3         U  12   9.205   4.523 -17.787
  130    H5     U  12           H5         U  12   7.000   8.065 -18.261
  131    H6     U  12           H6         U  12   5.466   6.832 -19.644
  132   1H5*    C  13          H5*         C  13   3.264   0.272 -18.893
  133   2H5*    C  13          2H5*        C  13   2.343  -0.765 -20.000
  134    H4*    C  13           H4*        C  13   1.783  -1.128 -17.639
  135    H3*    C  13           H3*        C  13  -0.025  -1.243 -19.597
  136    H2*    C  13          1H2*        C  13  -0.706   1.078 -19.565
  137   2HO*    C  13          2HO*        C  13  -2.261  -0.511 -17.830
  138    H1*    C  13           H1*        C  13  -0.718   0.997 -16.503
  139   1H4     C  13          1H4         C  13   0.182   7.281 -18.330
  140   2H4     C  13          2H4         C  13  -1.221   7.242 -17.288
  141    H5     C  13           H5         C  13   1.353   5.271 -19.014
  142    H6     C  13           H6         C  13   1.423   2.843 -18.819
  143   1H5*    G  14          H5*         G  14   1.405  -2.912 -18.733
  144   2H5*    G  14          2H5*        G  14   1.330  -4.496 -19.529
  145    H4*    G  14           H4*        G  14   2.503  -5.531 -17.919
  146    H3*    G  14           H3*        G  14   1.131  -3.779 -15.897
  147    H2*    G  14          1H2*        G  14   2.980  -4.032 -14.422
  148   2HO*    G  14          2HO*        G  14   3.259  -6.221 -14.469
  149    H1*    G  14           H1*        G  14   4.974  -4.233 -16.489
  150    H8     G  14           H8         G  14   6.483  -2.341 -15.888
  151    H1     G  14           H1         G  14   1.561   1.469 -14.347
  152   1H2     G  14          1H2         G  14  -0.400  -1.249 -15.246
  153   2H2     G  14          2H2         G  14  -0.353   0.396 -14.650
  154   1H5*    G  15          H5*         G  15   1.509  -6.154 -11.471
  155   2H5*    G  15          2H5*        G  15   0.830  -4.662 -12.148
  156    H4*    G  15           H4*        G  15   3.753  -5.320 -11.821
  157    H3*    G  15           H3*        G  15   1.909  -3.694 -10.130
  158    H2*    G  15          1H2*        G  15   3.558  -1.954  -9.910
  159   2HO*    G  15          2HO*        G  15   5.262  -3.840 -10.079
  160    H1*    G  15           H1*        G  15   4.200  -1.804 -12.582
  161    H8     G  15           H8         G  15   0.647  -2.850 -12.609
  162    H1     G  15           H1         G  15   1.411   3.361 -11.262
  163   1H2     G  15          1H2         G  15   4.744   2.563 -10.924
  164   2H2     G  15          2H2         G  15   3.512   3.803 -10.877
  165   1H5*    C  16          H5*         C  16   5.896  -3.444  -8.355
  166   2H5*    C  16          2H5*        C  16   5.639  -3.606  -6.607
  167    H4*    C  16           H4*        C  16   6.909  -1.589  -7.257
  168    H3*    C  16           H3*        C  16   4.349  -1.294  -5.714
  169    H2*    C  16          1H2*        C  16   4.632   1.097  -5.755
  170   2HO*    C  16          2HO*        C  16   7.188   0.413  -5.875
  171    H1*    C  16           H1*        C  16   5.402   1.242  -8.442
  172   1H4     C  16          1H4         C  16  -1.162   0.518  -8.521
  173   2H4     C  16          2H4         C  16  -0.840   2.239  -8.607
  174    H5     C  16           H5         C  16   0.609  -1.114  -8.189
  175    H6     C  16           H6         C  16   3.012  -1.414  -7.896
  176   1H5*    C  17          H5*         C  17   7.231   1.377  -4.356
  177   2H5*    C  17          2H5*        C  17   7.714   0.812  -2.744
  178    H4*    C  17           H4*        C  17   7.723   3.172  -2.700
  179    H3*    C  17           H3*        C  17   5.508   1.917  -1.145
  180    H2*    C  17          1H2*        C  17   4.533   4.054  -0.665
  181   2HO*    C  17          2HO*        C  17   7.069   4.858  -1.053
  182    H1*    C  17           H1*        C  17   4.668   5.055  -3.226
  183   1H4     C  17          1H4         C  17   0.019   0.417  -3.774
  184   2H4     C  17          2H4         C  17  -0.814   1.810  -3.129
  185    H5     C  17           H5         C  17   2.416   0.342  -4.070
  186    H6     C  17           H6         C  17   4.497   1.578  -3.795
  187   1H5*    U  18          H5*         U  18   6.903   5.512   0.753
  188   2H5*    U  18          2H5*        U  18   8.127   4.713   1.760
  189    H4*    U  18           H4*        U  18   7.620   5.975   3.482
  190    H3*    U  18           H3*        U  18   5.541   4.364   3.779
  191    H2*    U  18          1H2*        U  18   4.005   5.379   2.254
  192   2HO*    U  18          2HO*        U  18   3.079   5.548   4.390
  193    H1*    U  18           H1*        U  18   4.766   8.190   3.133
  194    H3     U  18           H3         U  18   2.961  10.129  -0.428
  195    H5     U  18           H5         U  18   3.717   6.235  -1.796
  196    H6     U  18           H6         U  18   4.685   5.744   0.338
  197   1H5*    U  19          H5*         U  19   4.398   7.919   5.169
  198   2H5*    U  19          2H5*        U  19   5.240   8.208   6.702
  199    H4*    U  19           H4*        U  19   3.545   9.364   7.591
  200    H3*    U  19           H3*        U  19   1.648   7.433   6.299
  201    H2*    U  19          1H2*        U  19  -0.074   9.111   6.326
  202   2HO*    U  19          2HO*        U  19   0.246  11.081   7.444
  203    H1*    U  19           H1*        U  19   1.549  11.214   5.460
  204    H3     U  19           H3         U  19  -0.820  10.474   1.735
  205    H5     U  19           H5         U  19   1.645   7.088   2.010
  206    H6     U  19           H6         U  19   2.383   7.896   4.152
  207   1H5*    G  20          H5*         G  20  -0.808   9.629   8.283
  208   2H5*    G  20          2H5*        G  20  -1.343   8.682   9.683
  209    H4*    G  20           H4*        G  20  -3.210   9.780   8.619
  210    H3*    G  20           H3*        G  20  -3.160   6.791   8.599
  211    H2*    G  20          1H2*        G  20  -5.227   6.753   7.342
  212   2HO*    G  20          2HO*        G  20  -5.487   9.192   8.435
  213    H1*    G  20           H1*        G  20  -4.393   8.532   5.421
  214    H8     G  20           H8         G  20  -1.148   7.162   6.283
  215    H1     G  20           H1         G  20  -4.719   2.870   3.139
  216   1H2     G  20          1H2         G  20  -7.356   4.994   3.857
  217   2H2     G  20          2H2         G  20  -6.831   3.490   3.130
  218   1H5*    U  21          H5*         U  21  -6.537   6.957   9.174
  219   2H5*    U  21          2H5*        U  21  -7.264   6.149  10.576
  220    H4*    U  21           H4*        U  21  -8.206   5.157   8.665
  221    H3*    U  21           H3*        U  21  -6.196   3.403  10.028
  222    H2*    U  21          1H2*        U  21  -6.482   1.731   8.329
  223   2HO*    U  21          2HO*        U  21  -8.909   2.749   8.227
  224    H1*    U  21           H1*        U  21  -6.505   3.497   6.161
  225    H3     U  21           H3         U  21  -2.554   1.160   6.101
  226    H5     U  21           H5         U  21  -1.871   4.543   8.470
  227    H6     U  21           H6         U  21  -4.238   4.972   8.422
  228   1H5*    U  22          H5*         U  22  -9.726   0.918   9.422
  229   2H5*    U  22          2H5*        U  22 -10.186   0.357  11.041
  230    H4*    U  22           H4*        U  22 -10.293  -1.559   9.767
  231    H3*    U  22           H3*        U  22  -7.632  -1.515  11.169
  232    H2*    U  22          1H2*        U  22  -7.119  -3.631  10.110
  233   2HO*    U  22          2HO*        U  22  -9.794  -3.794  10.015
  234    H1*    U  22           H1*        U  22  -7.928  -2.826   7.576
  235    H3     U  22           H3         U  22  -3.417  -2.651   7.341
  236    H5     U  22           H5         U  22  -4.493   0.853   9.381
  237    H6     U  22           H6         U  22  -6.748   0.018   9.470
  238   1H5*    U  23          H5*         U  23  -9.385  -5.156  11.232
  239   2H5*    U  23          2H5*        U  23  -9.086  -6.182  12.648
  240    H4*    U  23           H4*        U  23  -8.415  -7.182  10.473
  241    H3*    U  23           H3*        U  23  -6.356  -6.877  12.650
  242    H2*    U  23          1H2*        U  23  -4.762  -7.941  11.192
  243   2HO*    U  23          2HO*        U  23  -6.816  -9.232  10.325
  244    H1*    U  23           H1*        U  23  -5.557  -6.540   8.884
  245    H3     U  23           H3         U  23  -1.379  -5.135  10.083
  246    H5     U  23           H5         U  23  -4.054  -2.790  12.311
  247    H6     U  23           H6         U  23  -5.824  -4.239  11.566
  248   1H5*    C  24          H5*         C  24  -6.278 -11.132  11.317
  249   2H5*    C  24          2H5*        C  24  -5.922 -12.078  12.775
  250    H4*    C  24           H4*        C  24  -4.381 -12.489  10.872
  251    H3*    C  24           H3*        C  24  -3.307 -11.612  13.533
  252    H2*    C  24          1H2*        C  24  -1.082 -11.597  12.634
  253   2HO*    C  24          2HO*        C  24  -0.706 -13.157  11.240
  254    H1*    C  24           H1*        C  24  -1.753 -10.399  10.191
  255   1H4     C  24          1H4         C  24  -1.521  -5.382  14.445
  256   2H4     C  24          2H4         C  24   0.126  -5.629  13.897
  257    H5     C  24           H5         C  24  -3.319  -6.914  13.859
  258    H6     C  24           H6         C  24  -3.885  -8.944  12.630
  259   1H5*    C  25          H5*         C  25  -0.676 -14.817  11.849
  260   2H5*    C  25          2H5*        C  25  -0.597 -15.972  13.194
  261    H4*    C  25           H4*        C  25   1.603 -15.544  12.289
  262    H3*    C  25           H3*        C  25   1.078 -14.711  15.114
  263    H2*    C  25          1H2*        C  25   3.278 -13.765  15.286
  264   2HO*    C  25          2HO*        C  25   3.830 -14.727  12.659
  265    H1*    C  25           H1*        C  25   3.264 -12.482  12.817
  266   1H4     C  25          1H4         C  25  -0.613  -8.787  16.674
  267   2H4     C  25          2H4         C  25   0.960  -8.025  16.687
  268    H5     C  25           H5         C  25  -1.045 -10.894  15.573
  269    H6     C  25           H6         C  25  -0.059 -12.696  14.261
  270    H3T    C  25           H3T        C  25   3.070 -16.434  14.414
  Start of MODEL   31
    1   1H5*    G   1          H5*         G   1   8.073  -0.828  16.239
    2   2H5*    G   1          2H5*        G   1   6.418  -1.462  16.211
    3    H4*    G   1           H4*        G   1   8.981  -2.858  16.162
    4    H3*    G   1           H3*        G   1   6.205  -3.418  15.182
    5    H2*    G   1          1H2*        G   1   6.661  -5.785  15.244
    6   2HO*    G   1          2HO*        G   1   8.669  -6.452  15.033
    7    H1*    G   1           H1*        G   1   7.686  -5.794  17.794
    8    H8     G   1           H8         G   1   5.312  -2.996  17.966
    9    H1     G   1           H1         G   1   2.345  -8.672  17.779
   10   1H2     G   1          1H2         G   1   5.451  -9.917  16.899
   11   2H2     G   1          2H2         G   1   3.765 -10.256  17.218
   12    H5T    G   1           H5T        G   1   7.314  -2.163  18.527
   13   1H5*    G   2          H5*         G   2   8.748  -5.887  13.250
   14   2H5*    G   2          2H5*        G   2   8.604  -5.791  11.484
   15    H4*    G   2           H4*        G   2   8.614  -8.082  12.149
   16    H3*    G   2           H3*        G   2   6.027  -7.072  11.034
   17    H2*    G   2          1H2*        G   2   4.999  -9.215  11.429
   18   2HO*    G   2          2HO*        G   2   7.400 -10.128  11.077
   19    H1*    G   2           H1*        G   2   5.911  -9.500  14.019
   20    H8     G   2           H8         G   2   5.569  -5.845  13.740
   21    H1     G   2           H1         G   2  -0.095  -8.772  14.318
   22   1H2     G   2          1H2         G   2   1.680 -11.676  13.625
   23   2H2     G   2          2H2         G   2   0.124 -10.948  13.959
   24   1H5*    A   3          H5*         A   3   6.627 -10.675   8.612
   25   2H5*    A   3          2H5*        A   3   6.990  -9.968   7.025
   26    H4*    A   3           H4*        A   3   5.506 -11.630   6.492
   27    H3*    A   3           H3*        A   3   4.065  -9.021   6.681
   28    H2*    A   3          1H2*        A   3   1.936 -10.115   6.378
   29   2HO*    A   3          2HO*        A   3   3.505 -11.989   5.238
   30    H1*    A   3           H1*        A   3   2.336 -12.050   8.279
   31    H8     A   3           H8         A   3   4.427  -9.268   9.575
   32   1H6     A   3          1H6         A   3   1.005  -6.664  11.825
   33   2H6     A   3          2H6         A   3  -0.746  -6.704  11.799
   34    H2     A   3           H2         A   3  -1.924 -10.046   9.061
   35   1H5*    A   4          H5*         A   4   2.364 -11.146   3.915
   36   2H5*    A   4          2H5*        A   4   2.565 -10.515   2.268
   37    H4*    A   4           H4*        A   4   0.354 -11.179   2.334
   38    H3*    A   4           H3*        A   4   0.594  -8.225   2.708
   39    H2*    A   4          1H2*        A   4  -1.777  -8.033   3.077
   40   2HO*    A   4          2HO*        A   4  -3.034  -9.441   2.123
   41    H1*    A   4           H1*        A   4  -1.957 -10.097   4.894
   42    H8     A   4           H8         A   4   1.479  -8.567   5.208
   43   1H6     A   4          1H6         A   4   0.436  -5.080   8.410
   44   2H6     A   4          2H6         A   4  -1.059  -4.438   9.056
   45    H2     A   4           H2         A   4  -4.371  -6.831   7.193
   46   1H5*    G   5          H5*         G   5  -2.390  -8.874   0.304
   47   2H5*    G   5          2H5*        G   5  -2.691  -7.786  -1.065
   48    H4*    G   5           H4*        G   5  -4.568  -7.846   0.484
   49    H3*    G   5           H3*        G   5  -3.142  -5.194   0.270
   50    H2*    G   5          1H2*        G   5  -4.913  -4.307   1.674
   51   2HO*    G   5          2HO*        G   5  -6.234  -6.433   0.683
   52    H1*    G   5           H1*        G   5  -4.729  -6.402   3.514
   53    H8     G   5           H8         G   5  -1.228  -5.978   2.573
   54    H1     G   5           H1         G   5  -3.384  -1.064   6.087
   55   1H2     G   5          1H2         G   5  -6.509  -2.333   5.405
   56   2H2     G   5          2H2         G   5  -5.555  -1.088   6.182
   57   1H5*    C   6          H5*         C   6  -6.996  -4.571   0.339
   58   2H5*    C   6          2H5*        C   6  -7.548  -4.176  -1.301
   59    H4*    C   6           H4*        C   6  -8.885  -2.840  -0.009
   60    H3*    C   6           H3*        C   6  -6.532  -1.218  -0.920
   61    H2*    C   6          1H2*        C   6  -7.389   0.671   0.313
   62   2HO*    C   6          2HO*        C   6  -9.697  -0.457  -0.148
   63    H1*    C   6           H1*        C   6  -7.917  -0.760   2.635
   64   1H4     C   6          1H4         C   6  -1.348  -0.329   2.615
   65   2H4     C   6          2H4         C   6  -1.893   1.189   3.288
   66    H5     C   6           H5         C   6  -2.856  -1.962   1.659
   67    H6     C   6           H6         C   6  -5.190  -2.477   1.179
   68   1H5*    A   7          H5*         A   7  -9.531   1.045  -1.622
   69   2H5*    A   7          2H5*        A   7  -9.556   2.035  -3.094
   70    H4*    A   7           H4*        A   7  -9.547   3.425  -1.118
   71    H3*    A   7           H3*        A   7  -7.020   3.595  -2.762
   72    H2*    A   7          1H2*        A   7  -6.345   5.370  -1.264
   73   2HO*    A   7          2HO*        A   7  -7.774   6.413  -0.010
   74    H1*    A   7           H1*        A   7  -7.145   3.976   1.045
   75    H8     A   7           H8         A   7  -5.625   1.248  -0.797
   76   1H6     A   7          1H6         A   7  -0.908   2.219  -0.112
   77   2H6     A   7          2H6         A   7  -0.048   3.630   0.470
   78    H2     A   7           H2         A   7  -3.129   6.746   1.383
   79   1H5*    G   8          H5*         G   8  -7.396   7.251  -1.610
   80   2H5*    G   8          2H5*        G   8  -8.267   8.015  -2.953
   81    H4*    G   8           H4*        G   8  -6.863   9.700  -2.503
   82    H3*    G   8           H3*        G   8  -5.336   7.962  -4.400
   83    H2*    G   8          1H2*        G   8  -3.380   9.337  -4.104
   84   2HO*    G   8          2HO*        G   8  -5.155  11.202  -3.594
   85    H1*    G   8           H1*        G   8  -3.484   9.395  -1.352
   86    H8     G   8           H8         G   8  -4.953   6.120  -2.159
   87    H1     G   8           H1         G   8   1.404   6.206  -2.942
   88   1H2     G   8          1H2         G   8   1.083   9.633  -2.685
   89   2H2     G   8          2H2         G   8   2.152   8.269  -2.919
   90   1H5*    G   9          H5*         G   9  -4.653  11.574  -5.738
   91   2H5*    G   9          2H5*        G   9  -5.068  11.918  -7.429
   92    H4*    G   9           H4*        G   9  -2.839  12.593  -7.144
   93    H3*    G   9           H3*        G   9  -3.030   9.989  -8.635
   94    H2*    G   9          1H2*        G   9  -0.622   9.982  -8.819
   95   2HO*    G   9          2HO*        G   9   0.511  11.792  -8.627
   96    H1*    G   9           H1*        G   9  -0.179  10.601  -6.145
   97    H8     G   9           H8         G   9  -3.184   8.527  -5.890
   98    H1     G   9           H1         G   9   2.001   5.088  -7.434
   99   1H2     G   9          1H2         G   9   3.470   8.150  -8.053
  100   2H2     G   9          2H2         G   9   3.649   6.411  -8.042
  101   1H5*    C  10          H5*         C  10  -0.140  12.296 -10.159
  102   2H5*    C  10          2H5*        C  10  -0.526  12.767 -11.825
  103    H4*    C  10           H4*        C  10   1.758  12.279 -11.813
  104    H3*    C  10           H3*        C  10   0.161  10.072 -13.065
  105    H2*    C  10          1H2*        C  10   2.186   8.822 -13.411
  106   2HO*    C  10          2HO*        C  10   3.235  11.252 -13.507
  107    H1*    C  10           H1*        C  10   3.281   9.345 -10.889
  108   1H4     C  10          1H4         C  10  -1.261   4.655  -9.915
  109   2H4     C  10          2H4         C  10   0.242   3.819 -10.207
  110    H5     C  10           H5         C  10  -1.481   7.064 -10.118
  111    H6     C  10           H6         C  10  -0.306   9.131 -10.656
  112   1H5*    U  11          H5*         U  11   2.635  10.331 -15.463
  113   2H5*    U  11          2H5*        U  11   2.418  10.646 -17.196
  114    H4*    U  11           H4*        U  11   3.416   8.555 -17.121
  115    H3*    U  11           H3*        U  11   0.456   8.269 -17.527
  116    H2*    U  11          1H2*        U  11   0.643   5.907 -17.407
  117   2HO*    U  11          2HO*        U  11   2.555   4.852 -17.834
  118    H1*    U  11           H1*        U  11   2.887   5.874 -15.588
  119    H3     U  11           H3         U  11  -0.274   3.272 -13.651
  120    H5     U  11           H5         U  11  -1.480   7.239 -12.902
  121    H6     U  11           H6         U  11   0.245   7.962 -14.413
  122   1H5*    U  12          H5*         U  12   1.149   6.992 -22.650
  123   2H5*    U  12          2H5*        U  12  -0.123   5.817 -22.263
  124    H4*    U  12           H4*        U  12   1.515   4.546 -23.286
  125    H3*    U  12           H3*        U  12   0.929   3.763 -20.801
  126    H2*    U  12          1H2*        U  12   2.637   5.058 -19.666
  127   2HO*    U  12          2HO*        U  12   4.547   3.212 -20.017
  128    H1*    U  12           H1*        U  12   4.614   4.192 -21.849
  129    H3     U  12           H3         U  12   7.821   6.391 -19.620
  130    H5     U  12           H5         U  12   4.748   9.231 -19.958
  131    H6     U  12           H6         U  12   3.371   7.511 -20.925
  132   1H5*    C  13          H5*         C  13   2.620   0.714 -19.097
  133   2H5*    C  13          2H5*        C  13   1.849  -0.587 -20.024
  134    H4*    C  13           H4*        C  13   1.506  -0.774 -17.599
  135    H3*    C  13           H3*        C  13  -0.345  -1.470 -19.385
  136    H2*    C  13          1H2*        C  13  -1.427   0.704 -19.560
  137   2HO*    C  13          2HO*        C  13  -2.609  -1.036 -17.718
  138    H1*    C  13           H1*        C  13  -1.296   0.909 -16.500
  139   1H4     C  13          1H4         C  13  -1.869   7.048 -18.883
  140   2H4     C  13          2H4         C  13  -3.173   6.809 -17.742
  141    H5     C  13           H5         C  13  -0.319   5.278 -19.478
  142    H6     C  13           H6         C  13   0.283   2.946 -19.094
  143   1H5*    G  14          H5*         G  14  -0.230  -3.638 -14.313
  144   2H5*    G  14          2H5*        G  14   0.270  -2.392 -15.470
  145    H4*    G  14           H4*        G  14   1.368  -5.179 -15.608
  146    H3*    G  14           H3*        G  14   2.226  -3.038 -13.687
  147    H2*    G  14          1H2*        G  14   4.526  -3.577 -14.134
  148   2HO*    G  14          2HO*        G  14   3.475  -5.965 -14.656
  149    H1*    G  14           H1*        G  14   4.221  -3.790 -16.903
  150    H8     G  14           H8         G  14   6.039  -1.932 -16.710
  151    H1     G  14           H1         G  14   1.575   2.216 -14.720
  152   1H2     G  14          1H2         G  14  -0.449  -0.584 -14.430
  153   2H2     G  14          2H2         G  14  -0.307   1.151 -14.258
  154   1H5*    G  15          H5*         G  15   4.773  -4.777 -12.460
  155   2H5*    G  15          2H5*        G  15   4.976  -4.626 -10.704
  156    H4*    G  15           H4*        G  15   6.609  -3.321 -11.999
  157    H3*    G  15           H3*        G  15   4.800  -1.909 -10.075
  158    H2*    G  15          1H2*        G  15   5.837   0.187 -10.667
  159   2HO*    G  15          2HO*        G  15   7.678  -1.530 -11.989
  160    H1*    G  15           H1*        G  15   5.658  -0.197 -13.395
  161    H8     G  15           H8         G  15   2.708  -1.998 -12.227
  162    H1     G  15           H1         G  15   1.958   4.335 -11.735
  163   1H2     G  15          1H2         G  15   5.362   4.474 -12.257
  164   2H2     G  15          2H2         G  15   3.877   5.354 -11.983
  165   1H5*    C  16          H5*         C  16   8.745  -0.087  -9.675
  166   2H5*    C  16          2H5*        C  16   9.020  -0.029  -7.923
  167    H4*    C  16           H4*        C  16   9.372   2.132  -9.057
  168    H3*    C  16           H3*        C  16   7.297   1.960  -6.887
  169    H2*    C  16          1H2*        C  16   6.851   4.307  -7.195
  170   2HO*    C  16          2HO*        C  16   9.391   4.220  -8.206
  171    H1*    C  16           H1*        C  16   6.881   4.216  -9.999
  172   1H4     C  16          1H4         C  16   0.943   1.892  -8.328
  173   2H4     C  16          2H4         C  16   0.781   3.635  -8.374
  174    H5     C  16           H5         C  16   3.098   0.788  -8.566
  175    H6     C  16           H6         C  16   5.487   1.136  -8.910
  176   1H5*    C  17          H5*         C  17   8.861   5.688  -6.659
  177   2H5*    C  17          2H5*        C  17  10.049   5.512  -5.353
  178    H4*    C  17           H4*        C  17   9.222   7.612  -4.978
  179    H3*    C  17           H3*        C  17   7.732   5.703  -3.207
  180    H2*    C  17          1H2*        C  17   6.382   7.530  -2.405
  181   2HO*    C  17          2HO*        C  17   8.550   8.931  -3.175
  182    H1*    C  17           H1*        C  17   5.878   8.617  -4.914
  183   1H4     C  17          1H4         C  17   2.135   3.181  -4.731
  184   2H4     C  17          2H4         C  17   1.088   4.503  -4.286
  185    H5     C  17           H5         C  17   4.516   3.440  -5.076
  186    H6     C  17           H6         C  17   6.368   5.026  -5.086
  187   1H5*    U  18          H5*         U  18   8.697   8.185  -0.199
  188   2H5*    U  18          2H5*        U  18  10.079   7.488   0.664
  189    H4*    U  18           H4*        U  18   8.763   6.745   2.438
  190    H3*    U  18           H3*        U  18   6.722   5.997   0.968
  191    H2*    U  18          1H2*        U  18   5.984   8.094   0.077
  192   2HO*    U  18          2HO*        U  18   4.209   7.399   1.327
  193    H1*    U  18           H1*        U  18   6.339   9.638   2.640
  194    H3     U  18           H3         U  18   7.298  13.557   0.767
  195    H5     U  18           H5         U  18   7.534  10.895  -2.469
  196    H6     U  18           H6         U  18   7.177   9.093  -0.921
  197   1H5*    U  19          H5*         U  19   5.841   7.003   5.182
  198   2H5*    U  19          2H5*        U  19   4.603   6.149   6.122
  199    H4*    U  19           H4*        U  19   4.776   8.609   6.538
  200    H3*    U  19           H3*        U  19   2.167   7.327   5.793
  201    H2*    U  19          1H2*        U  19   1.102   9.473   5.837
  202   2HO*    U  19          2HO*        U  19   2.820   9.924   7.739
  203    H1*    U  19           H1*        U  19   3.234  10.899   4.655
  204    H3     U  19           H3         U  19  -0.328  10.979   1.792
  205    H5     U  19           H5         U  19   1.722   7.407   0.981
  206    H6     U  19           H6         U  19   3.062   7.821   2.935
  207   1H5*    G  20          H5*         G  20   0.067   9.667   7.533
  208   2H5*    G  20          2H5*        G  20  -0.282   8.915   9.102
  209    H4*    G  20           H4*        G  20  -2.340   9.630   8.218
  210    H3*    G  20           H3*        G  20  -1.955   6.664   8.098
  211    H2*    G  20          1H2*        G  20  -4.110   6.426   7.024
  212   2HO*    G  20          2HO*        G  20  -5.545   7.920   7.517
  213    H1*    G  20           H1*        G  20  -3.595   8.269   5.067
  214    H8     G  20           H8         G  20  -0.157   7.310   5.687
  215    H1     G  20           H1         G  20  -3.455   2.522   2.981
  216   1H2     G  20          1H2         G  20  -6.238   4.391   3.802
  217   2H2     G  20          2H2         G  20  -5.611   2.926   3.082
  218   1H5*    U  21          H5*         U  21  -5.352   6.480   8.802
  219   2H5*    U  21          2H5*        U  21  -5.867   5.798  10.357
  220    H4*    U  21           H4*        U  21  -7.046   4.643   8.679
  221    H3*    U  21           H3*        U  21  -4.846   3.000   9.892
  222    H2*    U  21          1H2*        U  21  -5.428   1.181   8.427
  223   2HO*    U  21          2HO*        U  21  -7.804   2.021   8.662
  224    H1*    U  21           H1*        U  21  -5.710   2.751   6.133
  225    H3     U  21           H3         U  21  -1.835   0.324   5.753
  226    H5     U  21           H5         U  21  -0.803   3.835   7.793
  227    H6     U  21           H6         U  21  -3.148   4.333   7.987
  228   1H5*    U  22          H5*         U  22  -8.819   0.897  10.295
  229   2H5*    U  22          2H5*        U  22  -8.804   0.002  11.827
  230    H4*    U  22           H4*        U  22  -9.502  -1.333   9.854
  231    H3*    U  22           H3*        U  22  -7.155  -2.243  11.504
  232    H2*    U  22          1H2*        U  22  -6.949  -4.154  10.055
  233   2HO*    U  22          2HO*        U  22  -9.581  -3.684   9.729
  234    H1*    U  22           H1*        U  22  -7.405  -2.728   7.669
  235    H3     U  22           H3         U  22  -3.048  -4.240   7.949
  236    H5     U  22           H5         U  22  -3.096  -0.334   9.476
  237    H6     U  22           H6         U  22  -5.503  -0.448   9.480
  238   1H5*    U  23          H5*         U  23  -9.520  -5.395  10.337
  239   2H5*    U  23          2H5*        U  23 -10.289  -6.055  11.794
  240    H4*    U  23           H4*        U  23  -9.783  -7.949  10.607
  241    H3*    U  23           H3*        U  23  -7.567  -7.468  12.576
  242    H2*    U  23          1H2*        U  23  -6.455  -9.445  11.734
  243   2HO*    U  23          2HO*        U  23  -8.869 -10.223  11.169
  244    H1*    U  23           H1*        U  23  -6.719  -8.742   9.069
  245    H3     U  23           H3         U  23  -2.441  -7.575   9.912
  246    H5     U  23           H5         U  23  -4.696  -4.542  11.726
  247    H6     U  23           H6         U  23  -6.674  -5.822  11.235
  248   1H5*    C  24          H5*         C  24  -8.136 -11.160  12.830
  249   2H5*    C  24          2H5*        C  24  -8.177 -11.915  14.435
  250    H4*    C  24           H4*        C  24  -6.398 -12.872  13.166
  251    H3*    C  24           H3*        C  24  -5.430 -11.093  15.399
  252    H2*    C  24          1H2*        C  24  -3.181 -11.754  14.797
  253   2HO*    C  24          2HO*        C  24  -4.488 -13.895  13.837
  254    H1*    C  24           H1*        C  24  -3.588 -11.398  12.050
  255   1H4     C  24          1H4         C  24  -2.867  -5.285  14.393
  256   2H4     C  24          2H4         C  24  -1.240  -5.938  14.300
  257    H5     C  24           H5         C  24  -4.834  -6.660  13.991
  258    H6     C  24           H6         C  24  -5.615  -8.903  13.431
  259   1H5*    C  25          H5*         C  25  -3.134 -14.413  15.205
  260   2H5*    C  25          2H5*        C  25  -3.402 -15.366  16.678
  261    H4*    C  25           H4*        C  25  -1.111 -15.502  16.258
  262    H3*    C  25           H3*        C  25  -1.710 -13.576  18.475
  263    H2*    C  25          1H2*        C  25   0.624 -13.046  18.660
  264   2HO*    C  25          2HO*        C  25   0.986 -15.492  17.979
  265    H1*    C  25           H1*        C  25   1.108 -12.871  15.913
  266   1H4     C  25          1H4         C  25  -1.916  -7.222  17.515
  267   2H4     C  25          2H4         C  25  -0.196  -6.903  17.584
  268    H5     C  25           H5         C  25  -2.814  -9.445  17.120
  269    H6     C  25           H6         C  25  -2.243 -11.781  16.713
  270    H3T    C  25           H3T        C  25  -1.942 -15.746  18.834